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 3lj6_1_A DATA FIRST_RESID 34 DATA SEQUENCE RQKARGAATR ARQKQRASLE TMDKAVQRFR LQNPDLDSEA LLTLPLLQLV DATA SEQUENCE QKLQSGELSP EAVFFTYLGK AWEVNKGTNC VTSYLTDCET QLSQAPRQGL DATA SEQUENCE LYGVPVSLKE CFSYKGHDST LGLSLNEGMP SESDCVVVQV LKLQGAVPFV DATA SEQUENCE HTNVPQSMFS YDCSNPLFGQ TMNPWKSSKS PGGSSGGEGA LIGSGGSPLG DATA SEQUENCE LGTDIGGSIR FPSAFCGICG LKPTGNRLSK SGLKGCVYGQ TAVQLSLGPM DATA SEQUENCE ARDVESLALC LKALLCEHLF TLDPTVPPLP FREEVYRSSR PLRVGYYETD DATA SEQUENCE NYTMPSPAMR RALIETKQRL EAAGHTLIPF LPNNIPYALE VLSTGGLFSD DATA SEQUENCE GGRSFLQNFK GDFVDPCLGD LILILRLPSW FKRLLSLLLK PLFPRLAAFL DATA SEQUENCE NNMRPRSAEK LWKLQHEIEM YRQSVIAQWK AMNLDVLLTP MLGPALDLNT DATA SEQUENCE PGRATGAVSY TMLYNCLDFP AGVVPVTTVT AEDDAQMELY KGYFGDIWDI DATA SEQUENCE ILKKAMKNSV GLPVAVQCVA LPWQEELCLR FMREVEQLMT P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 34 R HA 0.000 nan 4.340 nan 0.000 0.208 34 R C 0.000 176.244 176.300 -0.093 0.000 0.893 34 R CA 0.000 55.987 56.100 -0.188 0.000 0.921 34 R CB 0.000 30.120 30.300 -0.301 0.000 0.687 35 Q N 0.874 120.651 119.800 -0.038 0.000 2.170 35 Q HA -0.105 4.230 4.340 -0.007 0.000 0.203 35 Q C 1.712 177.715 176.000 0.005 0.000 0.976 35 Q CA 1.778 57.583 55.803 0.003 0.000 0.858 35 Q CB -0.156 28.585 28.738 0.005 0.000 0.907 35 Q HN 0.111 nan 8.270 nan 0.000 0.433 36 K N 0.740 121.131 120.400 -0.016 0.000 2.147 36 K HA -0.113 4.203 4.320 -0.007 0.000 0.205 36 K C 2.000 178.598 176.600 -0.003 0.000 1.049 36 K CA 1.208 57.487 56.287 -0.013 0.000 0.936 36 K CB -0.224 32.260 32.500 -0.025 0.000 0.722 36 K HN 0.331 nan 8.250 nan 0.000 0.446 37 A N 0.927 123.744 122.820 -0.006 0.000 1.970 37 A HA -0.046 4.270 4.320 -0.007 0.000 0.216 37 A C 1.942 179.614 177.584 0.147 0.000 1.170 37 A CA 0.816 52.879 52.037 0.044 0.000 0.645 37 A CB -0.247 18.742 19.000 -0.017 0.000 0.816 37 A HN 0.266 nan 8.150 nan 0.000 0.447 38 R N -0.737 119.862 120.500 0.166 0.000 2.090 38 R HA -0.064 4.271 4.340 -0.007 0.000 0.228 38 R C 2.350 178.684 176.300 0.057 0.000 1.110 38 R CA 0.987 57.176 56.100 0.149 0.000 0.973 38 R CB -0.498 29.887 30.300 0.142 0.000 0.869 38 R HN 0.512 nan 8.270 nan 0.000 0.440 39 G N 0.863 109.685 108.800 0.038 0.000 2.422 39 G HA2 -0.263 3.693 3.960 -0.007 0.000 0.218 39 G HA3 -0.263 3.693 3.960 -0.007 0.000 0.218 39 G C 1.539 176.439 174.900 0.000 0.000 1.146 39 G CA 0.806 45.915 45.100 0.015 0.000 0.769 39 G HN 0.392 nan 8.290 nan 0.000 0.547 40 A N 1.213 124.032 122.820 -0.003 0.000 1.877 40 A HA 0.281 4.597 4.320 -0.007 0.000 0.216 40 A C 2.830 180.371 177.584 -0.071 0.000 1.186 40 A CA 2.264 54.283 52.037 -0.030 0.000 0.620 40 A CB -0.835 18.148 19.000 -0.030 0.000 0.822 40 A HN 0.758 nan 8.150 nan 0.000 0.443 41 A N -1.151 121.631 122.820 -0.063 0.000 1.902 41 A HA -0.086 4.230 4.320 -0.007 0.000 0.217 41 A C 2.316 179.844 177.584 -0.093 0.000 1.181 41 A CA 2.313 54.280 52.037 -0.118 0.000 0.623 41 A CB -1.304 17.643 19.000 -0.088 0.000 0.818 41 A HN 0.417 nan 8.150 nan 0.000 0.443 42 T N -0.443 114.086 114.554 -0.042 0.000 2.746 42 T HA -0.133 4.212 4.350 -0.007 0.000 0.267 42 T C 2.080 176.772 174.700 -0.013 0.000 1.039 42 T CA 1.567 63.654 62.100 -0.021 0.000 1.142 42 T CB -0.226 68.640 68.868 -0.004 0.000 0.866 42 T HN 0.487 nan 8.240 nan 0.000 0.444 43 R N 0.716 121.208 120.500 -0.015 0.000 2.092 43 R HA 0.078 4.413 4.340 -0.007 0.000 0.231 43 R C 2.782 179.090 176.300 0.014 0.000 1.119 43 R CA 1.167 57.270 56.100 0.004 0.000 0.970 43 R CB -0.390 29.913 30.300 0.006 0.000 0.864 43 R HN 0.341 nan 8.270 nan 0.000 0.440 44 A N 1.100 123.892 122.820 -0.046 0.000 1.930 44 A HA -0.156 4.160 4.320 -0.007 0.000 0.217 44 A C 2.081 179.709 177.584 0.073 0.000 1.175 44 A CA 1.143 53.144 52.037 -0.062 0.000 0.627 44 A CB -0.260 18.452 19.000 -0.480 0.000 0.815 44 A HN 0.193 nan 8.150 nan 0.000 0.443 45 R N -0.930 119.576 120.500 0.010 0.000 2.073 45 R HA -0.086 4.250 4.340 -0.007 0.000 0.229 45 R C 2.478 178.841 176.300 0.105 0.000 1.120 45 R CA 1.463 57.614 56.100 0.084 0.000 0.967 45 R CB -0.317 30.000 30.300 0.029 0.000 0.862 45 R HN 0.663 nan 8.270 nan 0.000 0.436 46 Q N 0.609 120.454 119.800 0.074 0.000 2.029 46 Q HA -0.248 4.087 4.340 -0.007 0.000 0.209 46 Q C 1.965 178.030 176.000 0.107 0.000 0.999 46 Q CA 2.004 57.853 55.803 0.077 0.000 0.857 46 Q CB 0.010 28.782 28.738 0.057 0.000 0.926 46 Q HN 0.151 nan 8.270 nan 0.000 0.415 47 K N 0.090 120.567 120.400 0.130 0.000 2.026 47 K HA -0.227 4.088 4.320 -0.007 0.000 0.208 47 K C 2.129 178.839 176.600 0.183 0.000 1.048 47 K CA 1.561 57.940 56.287 0.153 0.000 0.929 47 K CB -0.120 32.483 32.500 0.170 0.000 0.713 47 K HN 0.208 nan 8.250 nan 0.000 0.439 48 Q N 0.670 120.614 119.800 0.240 0.000 2.061 48 Q HA -0.242 4.093 4.340 -0.007 0.000 0.204 48 Q C 2.242 178.333 176.000 0.152 0.000 0.984 48 Q CA 1.645 57.570 55.803 0.203 0.000 0.846 48 Q CB -0.018 28.891 28.738 0.285 0.000 0.902 48 Q HN 0.196 nan 8.270 nan 0.000 0.421 49 R N -0.464 120.121 120.500 0.141 0.000 2.073 49 R HA -0.145 4.190 4.340 -0.007 0.000 0.234 49 R C 2.180 178.556 176.300 0.126 0.000 1.134 49 R CA 1.372 57.545 56.100 0.121 0.000 0.952 49 R CB -0.329 30.030 30.300 0.099 0.000 0.850 49 R HN 0.346 nan 8.270 nan 0.000 0.433 50 A N -0.277 122.615 122.820 0.121 0.000 1.933 50 A HA -0.112 4.203 4.320 -0.007 0.000 0.218 50 A C 2.177 179.843 177.584 0.137 0.000 1.175 50 A CA 1.752 53.858 52.037 0.115 0.000 0.628 50 A CB -0.444 18.618 19.000 0.103 0.000 0.814 50 A HN 0.384 nan 8.150 nan 0.000 0.444 51 S N -0.186 115.611 115.700 0.162 0.000 2.356 51 S HA -0.092 4.374 4.470 -0.007 0.000 0.223 51 S C 1.853 176.548 174.600 0.159 0.000 1.032 51 S CA 1.479 59.801 58.200 0.204 0.000 1.005 51 S CB -0.431 62.901 63.200 0.219 0.000 0.867 51 S HN 0.530 nan 8.310 nan 0.000 0.449 52 L N 1.046 122.371 121.223 0.170 0.000 2.046 52 L HA -0.128 4.207 4.340 -0.007 0.000 0.208 52 L C 2.558 179.567 176.870 0.233 0.000 1.077 52 L CA 1.294 56.287 54.840 0.254 0.000 0.747 52 L CB -0.605 41.613 42.059 0.266 0.000 0.896 52 L HN 0.331 nan 8.230 nan 0.000 0.432 53 E N -0.311 119.990 120.200 0.168 0.000 2.070 53 E HA -0.220 4.126 4.350 -0.007 0.000 0.197 53 E C 2.085 178.685 176.600 0.000 0.000 1.004 53 E CA 2.028 58.481 56.400 0.089 0.000 0.805 53 E CB -0.063 29.688 29.700 0.086 0.000 0.744 53 E HN 0.428 nan 8.360 nan 0.000 0.451 54 T N 0.661 115.231 114.554 0.027 0.000 2.788 54 T HA -0.161 4.185 4.350 -0.007 0.000 0.268 54 T C 1.836 176.454 174.700 -0.136 0.000 1.044 54 T CA 1.225 63.332 62.100 0.012 0.000 1.139 54 T CB -0.125 68.827 68.868 0.140 0.000 0.867 54 T HN 0.142 nan 8.240 nan 0.000 0.454 55 M N 0.963 120.391 119.600 -0.287 0.000 2.117 55 M HA -0.102 4.374 4.480 -0.007 0.000 0.262 55 M C 2.260 178.322 176.300 -0.398 0.000 1.065 55 M CA 1.550 56.568 55.300 -0.470 0.000 1.114 55 M CB -0.383 31.996 32.600 -0.368 0.000 1.361 55 M HN 0.104 nan 8.290 nan 0.000 0.408 56 D N 0.534 120.626 120.400 -0.514 0.000 2.097 56 D HA -0.143 4.493 4.640 -0.007 0.000 0.195 56 D C 1.762 177.818 176.300 -0.407 0.000 0.989 56 D CA 1.487 55.029 54.000 -0.763 0.000 0.827 56 D CB 0.100 40.395 40.800 -0.842 0.000 0.966 56 D HN 0.203 nan 8.370 nan 0.000 0.456 57 K N -0.183 120.074 120.400 -0.239 0.000 2.148 57 K HA 0.018 4.333 4.320 -0.007 0.000 0.204 57 K C 2.106 178.645 176.600 -0.102 0.000 1.050 57 K CA 1.010 57.213 56.287 -0.139 0.000 0.942 57 K CB -0.067 32.392 32.500 -0.070 0.000 0.724 57 K HN 0.120 nan 8.250 nan 0.000 0.446 58 A N 0.863 123.641 122.820 -0.069 0.000 1.873 58 A HA -0.102 4.213 4.320 -0.007 0.000 0.215 58 A C 2.349 179.899 177.584 -0.056 0.000 1.186 58 A CA 1.214 53.266 52.037 0.025 0.000 0.616 58 A CB -0.671 18.468 19.000 0.232 0.000 0.823 58 A HN 0.047 nan 8.150 nan 0.000 0.442 59 V N 0.267 120.144 119.914 -0.062 0.000 2.255 59 V HA -0.304 3.811 4.120 -0.007 0.000 0.247 59 V C 2.809 178.852 176.094 -0.085 0.000 1.051 59 V CA 2.232 64.496 62.300 -0.061 0.000 1.018 59 V CB -0.785 30.938 31.823 -0.167 0.000 0.641 59 V HN 0.551 nan 8.190 nan 0.000 0.445 60 Q N -0.347 119.363 119.800 -0.151 0.000 2.096 60 Q HA -0.198 4.137 4.340 -0.007 0.000 0.204 60 Q C 2.346 178.280 176.000 -0.110 0.000 0.982 60 Q CA 1.573 57.298 55.803 -0.130 0.000 0.850 60 Q CB -0.544 28.105 28.738 -0.148 0.000 0.901 60 Q HN 0.564 nan 8.270 nan 0.000 0.422 61 R N -0.637 119.792 120.500 -0.118 0.000 2.091 61 R HA -0.137 4.199 4.340 -0.007 0.000 0.238 61 R C 2.154 178.356 176.300 -0.163 0.000 1.136 61 R CA 1.331 57.354 56.100 -0.129 0.000 0.959 61 R CB -0.346 29.880 30.300 -0.123 0.000 0.856 61 R HN 0.223 nan 8.270 nan 0.000 0.437 62 F N 1.154 120.890 119.950 -0.357 0.000 2.163 62 F HA -0.095 4.424 4.527 -0.012 0.000 0.297 62 F C 2.240 177.921 175.800 -0.199 0.000 1.094 62 F CA 1.307 59.079 58.000 -0.380 0.000 1.290 62 F CB 0.044 38.676 39.000 -0.614 0.000 1.017 62 F HN -0.175 nan 8.300 nan 0.000 0.483 63 R N 0.015 120.464 120.500 -0.085 0.000 2.092 63 R HA -0.141 4.194 4.340 -0.007 0.000 0.231 63 R C 2.268 178.457 176.300 -0.184 0.000 1.119 63 R CA 1.231 57.262 56.100 -0.115 0.000 0.970 63 R CB -0.766 29.516 30.300 -0.030 0.000 0.864 63 R HN 0.317 nan 8.270 nan 0.000 0.440 64 L N 1.457 122.581 121.223 -0.164 0.000 2.079 64 L HA -0.236 4.100 4.340 -0.007 0.000 0.210 64 L C 1.469 178.229 176.870 -0.183 0.000 1.081 64 L CA 1.994 56.746 54.840 -0.147 0.000 0.752 64 L CB -0.451 41.535 42.059 -0.121 0.000 0.896 64 L HN 0.289 nan 8.230 nan 0.000 0.433 65 Q N -0.795 118.845 119.800 -0.266 0.000 2.398 65 Q HA 0.052 4.388 4.340 -0.007 0.000 0.204 65 Q C 0.132 175.926 176.000 -0.342 0.000 0.932 65 Q CA 0.395 56.028 55.803 -0.283 0.000 0.916 65 Q CB 0.424 28.980 28.738 -0.304 0.000 1.024 65 Q HN 0.476 nan 8.270 nan 0.000 0.504 66 N N 0.506 118.941 118.700 -0.442 0.000 2.703 66 N HA 0.124 4.859 4.740 -0.007 0.000 0.283 66 N C -2.304 173.067 175.510 -0.232 0.000 1.851 66 N CA -0.649 52.158 53.050 -0.405 0.000 0.826 66 N CB 1.298 39.331 38.487 -0.757 0.000 1.239 66 N HN 0.118 nan 8.380 nan 0.000 0.495 67 P HA 0.021 nan 4.420 nan 0.000 0.229 67 P C 0.116 177.379 177.300 -0.063 0.000 1.160 67 P CA 1.014 64.056 63.100 -0.097 0.000 0.777 67 P CB 0.553 32.203 31.700 -0.083 0.000 0.814 68 D N -0.841 119.522 120.400 -0.061 0.000 2.369 68 D HA 0.082 4.718 4.640 -0.007 0.000 0.211 68 D C 0.617 176.907 176.300 -0.018 0.000 1.077 68 D CA -0.311 53.668 54.000 -0.035 0.000 0.842 68 D CB -0.211 40.569 40.800 -0.034 0.000 0.947 68 D HN 0.096 nan 8.370 nan 0.000 0.509 69 L N 1.794 123.011 121.223 -0.011 0.000 2.499 69 L HA 0.054 4.389 4.340 -0.007 0.000 0.273 69 L C 0.184 177.068 176.870 0.023 0.000 1.195 69 L CA 0.143 55.000 54.840 0.028 0.000 0.882 69 L CB 0.507 42.621 42.059 0.090 0.000 1.133 69 L HN -0.208 nan 8.230 nan 0.000 0.483 70 D N 2.145 122.556 120.400 0.019 0.000 2.508 70 D HA 0.048 4.684 4.640 -0.007 0.000 0.224 70 D C 1.220 177.519 176.300 -0.002 0.000 1.171 70 D CA 0.626 54.629 54.000 0.005 0.000 1.006 70 D CB 0.543 41.345 40.800 0.002 0.000 1.073 70 D HN 0.714 nan 8.370 nan 0.000 0.513 71 S N 2.245 117.942 115.700 -0.006 0.000 2.406 71 S HA -0.174 4.291 4.470 -0.007 0.000 0.228 71 S C 1.697 176.255 174.600 -0.070 0.000 1.020 71 S CA 0.538 58.719 58.200 -0.031 0.000 0.965 71 S CB 0.027 63.215 63.200 -0.021 0.000 0.798 71 S HN 0.293 nan 8.310 nan 0.000 0.488 72 E N 2.191 122.358 120.200 -0.054 0.000 2.072 72 E HA 0.132 4.478 4.350 -0.007 0.000 0.191 72 E C 2.113 178.680 176.600 -0.056 0.000 0.985 72 E CA 1.281 57.644 56.400 -0.062 0.000 0.801 72 E CB -0.807 28.866 29.700 -0.044 0.000 0.750 72 E HN 0.618 nan 8.360 nan 0.000 0.452 73 A N 0.495 123.294 122.820 -0.036 0.000 1.972 73 A HA -0.121 4.194 4.320 -0.007 0.000 0.219 73 A C 2.273 179.841 177.584 -0.025 0.000 1.169 73 A CA 1.297 53.321 52.037 -0.023 0.000 0.635 73 A CB -0.668 18.326 19.000 -0.009 0.000 0.810 73 A HN 0.392 nan 8.150 nan 0.000 0.446 74 L N -0.641 120.558 121.223 -0.039 0.000 2.005 74 L HA -0.082 4.254 4.340 -0.007 0.000 0.207 74 L C 2.368 179.185 176.870 -0.089 0.000 1.072 74 L CA 1.270 56.084 54.840 -0.043 0.000 0.744 74 L CB -0.238 41.793 42.059 -0.046 0.000 0.895 74 L HN 0.391 nan 8.230 nan 0.000 0.433 75 L N -0.382 120.726 121.223 -0.192 0.000 2.187 75 L HA -0.193 4.142 4.340 -0.007 0.000 0.213 75 L C 2.355 179.162 176.870 -0.105 0.000 1.100 75 L CA 1.793 56.449 54.840 -0.307 0.000 0.765 75 L CB -0.740 41.116 42.059 -0.338 0.000 0.904 75 L HN 0.505 nan 8.230 nan 0.000 0.437 76 T N -3.394 111.128 114.554 -0.052 0.000 3.081 76 T HA 0.178 4.524 4.350 -0.007 0.000 0.250 76 T C 0.752 175.464 174.700 0.020 0.000 1.100 76 T CA -0.316 61.778 62.100 -0.009 0.000 1.038 76 T CB -0.258 68.600 68.868 -0.018 0.000 0.962 76 T HN 0.027 nan 8.240 nan 0.000 0.516 77 L N 2.767 124.006 121.223 0.027 0.000 2.559 77 L HA 0.220 4.556 4.340 -0.007 0.000 0.274 77 L C -2.055 174.851 176.870 0.061 0.000 1.205 77 L CA -1.709 53.156 54.840 0.043 0.000 0.907 77 L CB -0.150 41.938 42.059 0.048 0.000 1.153 77 L HN 0.045 nan 8.230 nan 0.000 0.490 78 P HA -0.069 nan 4.420 nan 0.000 0.267 78 P C 0.553 177.881 177.300 0.046 0.000 1.200 78 P CA -0.386 62.743 63.100 0.049 0.000 0.772 78 P CB 0.622 32.346 31.700 0.040 0.000 0.855 79 L N 3.752 124.996 121.223 0.036 0.000 2.051 79 L HA -0.222 4.114 4.340 -0.007 0.000 0.214 79 L C 1.851 178.728 176.870 0.012 0.000 1.076 79 L CA 1.999 56.847 54.840 0.014 0.000 0.758 79 L CB -1.307 40.745 42.059 -0.013 0.000 0.890 79 L HN 0.292 nan 8.230 nan 0.000 0.433 80 L N -0.766 120.467 121.223 0.017 0.000 2.042 80 L HA -0.249 4.087 4.340 -0.007 0.000 0.210 80 L C 2.653 179.538 176.870 0.026 0.000 1.076 80 L CA 1.835 56.687 54.840 0.020 0.000 0.749 80 L CB -0.719 41.358 42.059 0.029 0.000 0.893 80 L HN 0.434 nan 8.230 nan 0.000 0.432 81 Q N -1.497 118.322 119.800 0.031 0.000 2.119 81 Q HA -0.206 4.129 4.340 -0.007 0.000 0.201 81 Q C 2.230 178.252 176.000 0.036 0.000 0.972 81 Q CA 1.178 57.001 55.803 0.033 0.000 0.847 81 Q CB -0.270 28.488 28.738 0.033 0.000 0.903 81 Q HN 0.358 nan 8.270 nan 0.000 0.433 82 L N 0.237 121.482 121.223 0.038 0.000 1.989 82 L HA -0.187 4.148 4.340 -0.007 0.000 0.211 82 L C 2.172 179.060 176.870 0.030 0.000 1.071 82 L CA 1.464 56.328 54.840 0.040 0.000 0.749 82 L CB -0.492 41.596 42.059 0.049 0.000 0.890 82 L HN -0.013 nan 8.230 nan 0.000 0.431 83 V N -0.345 119.582 119.914 0.021 0.000 2.332 83 V HA -0.316 3.799 4.120 -0.007 0.000 0.248 83 V C 2.615 178.740 176.094 0.051 0.000 1.055 83 V CA 2.001 64.319 62.300 0.029 0.000 1.038 83 V CB -0.739 31.093 31.823 0.015 0.000 0.651 83 V HN 0.627 nan 8.190 nan 0.000 0.450 84 Q N 0.351 120.175 119.800 0.042 0.000 2.096 84 Q HA -0.253 4.082 4.340 -0.007 0.000 0.204 84 Q C 2.287 178.318 176.000 0.053 0.000 0.982 84 Q CA 1.931 57.761 55.803 0.044 0.000 0.850 84 Q CB -0.099 28.660 28.738 0.036 0.000 0.901 84 Q HN 0.611 nan 8.270 nan 0.000 0.422 85 K N -0.149 120.282 120.400 0.052 0.000 2.103 85 K HA -0.016 4.300 4.320 -0.007 0.000 0.204 85 K C 2.325 178.971 176.600 0.076 0.000 1.052 85 K CA 0.648 56.968 56.287 0.055 0.000 0.945 85 K CB 0.007 32.536 32.500 0.047 0.000 0.722 85 K HN 0.176 nan 8.250 nan 0.000 0.443 86 L N 0.754 122.027 121.223 0.083 0.000 2.083 86 L HA -0.214 4.122 4.340 -0.007 0.000 0.209 86 L C 2.632 179.651 176.870 0.249 0.000 1.083 86 L CA 1.089 56.007 54.840 0.130 0.000 0.752 86 L CB -0.244 41.846 42.059 0.051 0.000 0.899 86 L HN 0.160 nan 8.230 nan 0.000 0.433 87 Q N 0.030 119.940 119.800 0.183 0.000 2.172 87 Q HA -0.141 4.195 4.340 -0.007 0.000 0.200 87 Q C 2.288 178.327 176.000 0.065 0.000 0.964 87 Q CA 1.873 57.755 55.803 0.132 0.000 0.855 87 Q CB -0.095 28.692 28.738 0.082 0.000 0.918 87 Q HN 0.521 nan 8.270 nan 0.000 0.444 88 S N -2.095 113.644 115.700 0.064 0.000 2.470 88 S HA 0.222 4.688 4.470 -0.007 0.000 0.225 88 S C 1.486 176.115 174.600 0.049 0.000 1.006 88 S CA 0.566 58.792 58.200 0.042 0.000 0.934 88 S CB 0.094 63.316 63.200 0.037 0.000 0.778 88 S HN 0.670 nan 8.310 nan 0.000 0.517 89 G N 1.002 109.849 108.800 0.079 0.000 2.159 89 G HA2 -0.190 3.766 3.960 -0.007 0.000 0.227 89 G HA3 -0.190 3.766 3.960 -0.007 0.000 0.227 89 G C 0.582 175.524 174.900 0.071 0.000 0.986 89 G CA 0.271 45.422 45.100 0.084 0.000 0.651 89 G HN 0.433 nan 8.290 nan 0.000 0.523 90 E N -0.354 119.883 120.200 0.062 0.000 2.358 90 E HA 0.213 4.558 4.350 -0.007 0.000 0.195 90 E C 1.182 177.817 176.600 0.058 0.000 1.010 90 E CA 0.538 56.969 56.400 0.052 0.000 0.856 90 E CB 0.315 30.041 29.700 0.042 0.000 0.795 90 E HN 0.620 nan 8.360 nan 0.000 0.504 91 L N 1.096 122.359 121.223 0.067 0.000 2.385 91 L HA 0.239 4.574 4.340 -0.007 0.000 0.273 91 L C 0.119 177.034 176.870 0.076 0.000 0.990 91 L CA -0.811 54.070 54.840 0.068 0.000 0.821 91 L CB 2.027 44.120 42.059 0.056 0.000 1.279 91 L HN -0.122 nan 8.230 nan 0.000 0.412 92 S N 1.664 117.415 115.700 0.085 0.000 2.601 92 S HA 0.374 4.840 4.470 -0.007 0.000 0.271 92 S C -2.053 172.563 174.600 0.026 0.000 1.305 92 S CA -1.116 57.135 58.200 0.084 0.000 1.022 92 S CB 1.272 64.544 63.200 0.119 0.000 0.940 92 S HN 0.400 nan 8.310 nan 0.000 0.525 93 P HA -0.037 nan 4.420 nan 0.000 0.217 93 P C 1.014 178.268 177.300 -0.077 0.000 1.150 93 P CA 1.053 64.057 63.100 -0.159 0.000 0.832 93 P CB 0.016 31.533 31.700 -0.305 0.000 0.787 94 E N 0.117 120.328 120.200 0.018 0.000 2.038 94 E HA -0.174 4.172 4.350 -0.007 0.000 0.195 94 E C 2.208 178.823 176.600 0.026 0.000 1.000 94 E CA 1.784 58.261 56.400 0.128 0.000 0.803 94 E CB -1.339 28.567 29.700 0.343 0.000 0.750 94 E HN 0.131 nan 8.360 nan 0.000 0.448 95 A N 0.435 123.317 122.820 0.104 0.000 1.908 95 A HA -0.187 4.128 4.320 -0.007 0.000 0.218 95 A C 2.516 180.073 177.584 -0.045 0.000 1.181 95 A CA 1.706 53.799 52.037 0.094 0.000 0.627 95 A CB -0.824 18.320 19.000 0.240 0.000 0.818 95 A HN 0.155 nan 8.150 nan 0.000 0.445 96 V N -1.376 118.529 119.914 -0.016 0.000 2.307 96 V HA -0.221 3.895 4.120 -0.007 0.000 0.245 96 V C 2.269 178.330 176.094 -0.055 0.000 1.045 96 V CA 2.072 64.371 62.300 -0.001 0.000 1.024 96 V CB -0.943 30.882 31.823 0.003 0.000 0.651 96 V HN 0.640 nan 8.190 nan 0.000 0.449 97 F N 0.390 120.151 119.950 -0.316 0.000 2.075 97 F HA -0.199 4.326 4.527 -0.003 0.000 0.297 97 F C 2.036 177.499 175.800 -0.560 0.000 1.113 97 F CA 1.914 59.609 58.000 -0.509 0.000 1.218 97 F CB -0.315 38.284 39.000 -0.667 0.000 0.984 97 F HN 0.123 nan 8.300 nan 0.000 0.472 98 F N -0.231 119.448 119.950 -0.452 0.000 2.456 98 F HA -0.100 4.420 4.527 -0.012 0.000 0.298 98 F C 2.327 177.844 175.800 -0.472 0.000 1.104 98 F CA 1.217 58.859 58.000 -0.597 0.000 1.435 98 F CB -0.735 37.702 39.000 -0.937 0.000 1.078 98 F HN -0.102 nan 8.300 nan 0.000 0.546 99 T N -1.093 113.316 114.554 -0.242 0.000 2.732 99 T HA -0.185 4.160 4.350 -0.007 0.000 0.261 99 T C 1.590 176.147 174.700 -0.238 0.000 1.040 99 T CA 1.286 63.285 62.100 -0.169 0.000 1.145 99 T CB -0.548 68.234 68.868 -0.142 0.000 0.866 99 T HN 0.132 nan 8.240 nan 0.000 0.427 100 Y N 1.017 121.139 120.300 -0.298 0.000 2.165 100 Y HA -0.062 4.482 4.550 -0.009 0.000 0.286 100 Y C 2.226 177.917 175.900 -0.349 0.000 1.155 100 Y CA 0.677 58.584 58.100 -0.321 0.000 1.164 100 Y CB -0.587 37.616 38.460 -0.429 0.000 0.978 100 Y HN 0.080 nan 8.280 nan 0.000 0.513 101 L N -0.302 120.667 121.223 -0.423 0.000 2.079 101 L HA -0.133 4.203 4.340 -0.007 0.000 0.210 101 L C 2.418 179.243 176.870 -0.075 0.000 1.081 101 L CA 2.184 56.813 54.840 -0.352 0.000 0.752 101 L CB -1.076 40.618 42.059 -0.608 0.000 0.896 101 L HN 0.212 nan 8.230 nan 0.000 0.433 102 G N -1.186 107.571 108.800 -0.073 0.000 2.408 102 G HA2 -0.310 3.646 3.960 -0.007 0.000 0.217 102 G HA3 -0.310 3.646 3.960 -0.007 0.000 0.217 102 G C 1.671 176.628 174.900 0.095 0.000 1.150 102 G CA 0.848 45.959 45.100 0.018 0.000 0.776 102 G HN 0.323 nan 8.290 nan 0.000 0.542 103 K N 1.119 121.529 120.400 0.017 0.000 2.057 103 K HA 0.189 4.505 4.320 -0.007 0.000 0.206 103 K C 2.678 179.335 176.600 0.095 0.000 1.050 103 K CA 1.428 57.729 56.287 0.025 0.000 0.935 103 K CB -0.626 31.827 32.500 -0.077 0.000 0.715 103 K HN 0.151 nan 8.250 nan 0.000 0.439 104 A N -0.161 122.748 122.820 0.148 0.000 1.883 104 A HA -0.183 4.132 4.320 -0.007 0.000 0.217 104 A C 2.185 179.858 177.584 0.148 0.000 1.186 104 A CA 1.699 53.842 52.037 0.176 0.000 0.624 104 A CB -1.256 17.922 19.000 0.297 0.000 0.822 104 A HN 0.671 nan 8.150 nan 0.000 0.444 105 W N 0.845 122.142 121.300 -0.003 0.000 2.355 105 W HA -0.172 4.484 4.660 -0.007 0.000 0.309 105 W C 2.043 178.551 176.519 -0.019 0.000 1.206 105 W CA 2.033 59.364 57.345 -0.023 0.000 1.284 105 W CB -0.186 29.247 29.460 -0.045 0.000 1.145 105 W HN 0.500 nan 8.180 nan 0.000 0.502 106 E N -0.211 120.097 120.200 0.181 0.000 2.049 106 E HA -0.299 4.047 4.350 -0.007 0.000 0.198 106 E C 2.169 178.691 176.600 -0.129 0.000 1.007 106 E CA 2.705 59.101 56.400 -0.007 0.000 0.809 106 E CB -0.770 28.991 29.700 0.100 0.000 0.749 106 E HN 0.345 nan 8.360 nan 0.000 0.450 107 V N -0.243 119.633 119.914 -0.064 0.000 2.667 107 V HA -0.139 3.976 4.120 -0.007 0.000 0.252 107 V C 1.899 177.932 176.094 -0.102 0.000 1.065 107 V CA 1.923 64.180 62.300 -0.071 0.000 1.083 107 V CB -0.663 31.144 31.823 -0.028 0.000 0.692 107 V HN 0.137 nan 8.190 nan 0.000 0.468 108 N N 1.125 119.748 118.700 -0.129 0.000 2.272 108 N HA -0.206 4.530 4.740 -0.007 0.000 0.185 108 N C 1.772 177.157 175.510 -0.208 0.000 1.014 108 N CA 1.794 54.752 53.050 -0.154 0.000 0.870 108 N CB -0.423 37.965 38.487 -0.165 0.000 0.975 108 N HN 0.589 nan 8.380 nan 0.000 0.433 109 K N -1.216 119.002 120.400 -0.304 0.000 2.103 109 K HA -0.063 4.252 4.320 -0.007 0.000 0.207 109 K C 1.645 178.146 176.600 -0.166 0.000 1.048 109 K CA 1.376 57.487 56.287 -0.293 0.000 0.930 109 K CB -0.262 32.019 32.500 -0.366 0.000 0.716 109 K HN 0.329 nan 8.250 nan 0.000 0.444 110 G N -0.525 108.198 108.800 -0.128 0.000 3.088 110 G HA2 -0.070 3.885 3.960 -0.007 0.000 0.217 110 G HA3 -0.070 3.885 3.960 -0.007 0.000 0.217 110 G C 1.147 176.016 174.900 -0.052 0.000 1.159 110 G CA 0.676 45.728 45.100 -0.080 0.000 0.760 110 G HN 0.390 nan 8.290 nan 0.000 0.550 111 T N -3.353 111.168 114.554 -0.055 0.000 2.989 111 T HA 0.128 4.474 4.350 -0.007 0.000 0.250 111 T C 0.867 175.555 174.700 -0.020 0.000 0.981 111 T CA 0.485 62.571 62.100 -0.024 0.000 0.980 111 T CB -0.036 68.824 68.868 -0.013 0.000 1.133 111 T HN 0.186 nan 8.240 nan 0.000 0.489 112 N N 0.759 119.434 118.700 -0.041 0.000 2.708 112 N HA -0.190 4.546 4.740 -0.007 0.000 0.255 112 N C 0.600 176.098 175.510 -0.020 0.000 1.046 112 N CA 0.666 53.699 53.050 -0.029 0.000 0.715 112 N CB -1.762 36.723 38.487 -0.004 0.000 0.895 112 N HN 0.814 nan 8.380 nan 0.000 0.545 113 C N -2.699 116.579 119.300 -0.037 0.000 3.065 113 C HA 0.560 5.016 4.460 -0.007 0.000 0.285 113 C C 0.793 175.739 174.990 -0.073 0.000 1.257 113 C CA -0.399 58.597 59.018 -0.037 0.000 1.691 113 C CB -0.691 27.036 27.740 -0.021 0.000 2.089 113 C HN 0.236 nan 8.230 nan 0.000 0.630 114 V N 2.965 122.827 119.914 -0.087 0.000 2.370 114 V HA 0.400 4.515 4.120 -0.007 0.000 0.283 114 V C 1.411 177.401 176.094 -0.173 0.000 1.023 114 V CA 0.852 63.085 62.300 -0.111 0.000 0.857 114 V CB 1.467 33.252 31.823 -0.063 0.000 0.985 114 V HN 0.623 nan 8.190 nan 0.000 0.443 115 T N 0.057 114.437 114.554 -0.289 0.000 3.037 115 T HA 0.193 4.538 4.350 -0.007 0.000 0.252 115 T C 0.667 175.179 174.700 -0.314 0.000 1.073 115 T CA 0.421 62.155 62.100 -0.611 0.000 1.091 115 T CB 0.435 68.584 68.868 -1.198 0.000 0.935 115 T HN 0.575 nan 8.240 nan 0.000 0.488 116 S N -0.378 115.258 115.700 -0.107 0.000 2.548 116 S HA 0.439 4.904 4.470 -0.007 0.000 0.278 116 S C -2.063 172.570 174.600 0.055 0.000 1.150 116 S CA -0.996 57.233 58.200 0.048 0.000 0.907 116 S CB 1.154 64.442 63.200 0.147 0.000 1.108 116 S HN 0.440 nan 8.310 nan 0.000 0.459 117 Y N 5.327 125.629 120.300 0.004 0.000 2.327 117 Y HA 0.559 5.104 4.550 -0.009 0.000 0.336 117 Y C -0.234 175.629 175.900 -0.062 0.000 1.035 117 Y CA -0.813 57.275 58.100 -0.019 0.000 1.165 117 Y CB 0.669 39.176 38.460 0.078 0.000 1.181 117 Y HN 0.611 nan 8.280 nan 0.000 0.494 118 L N 7.926 128.758 121.223 -0.652 0.000 2.384 118 L HA 0.060 4.396 4.340 -0.007 0.000 0.258 118 L C 1.295 177.737 176.870 -0.712 0.000 1.266 118 L CA -0.157 54.151 54.840 -0.886 0.000 1.162 118 L CB -0.312 40.993 42.059 -1.256 0.000 1.375 118 L HN 0.903 nan 8.230 nan 0.000 0.420 119 T N 0.068 114.361 114.554 -0.436 0.000 2.684 119 T HA -0.246 4.100 4.350 -0.007 0.000 0.267 119 T C 1.437 176.027 174.700 -0.183 0.000 1.032 119 T CA 2.143 64.053 62.100 -0.316 0.000 1.155 119 T CB -0.216 68.669 68.868 0.029 0.000 0.857 119 T HN 0.750 nan 8.240 nan 0.000 0.457 120 D N 1.236 121.594 120.400 -0.069 0.000 2.363 120 D HA -0.034 4.602 4.640 -0.007 0.000 0.226 120 D C 2.117 178.380 176.300 -0.062 0.000 1.020 120 D CA 0.625 54.618 54.000 -0.011 0.000 0.892 120 D CB -1.247 39.593 40.800 0.066 0.000 0.900 120 D HN 0.674 nan 8.370 nan 0.000 0.531 121 C N -0.468 118.744 119.300 -0.147 0.000 2.432 121 C HA 0.064 4.519 4.460 -0.007 0.000 0.280 121 C C 2.202 176.979 174.990 -0.355 0.000 1.353 121 C CA 0.081 58.987 59.018 -0.186 0.000 1.766 121 C CB -1.014 26.657 27.740 -0.115 0.000 1.924 121 C HN 0.214 nan 8.230 nan 0.000 0.509 122 E N 1.370 121.408 120.200 -0.270 0.000 2.204 122 E HA -0.131 4.215 4.350 -0.007 0.000 0.194 122 E C 2.410 178.895 176.600 -0.192 0.000 0.989 122 E CA 1.808 58.028 56.400 -0.300 0.000 0.824 122 E CB -0.134 29.563 29.700 -0.006 0.000 0.756 122 E HN 0.944 nan 8.360 nan 0.000 0.477 123 T N -1.770 112.714 114.554 -0.118 0.000 3.051 123 T HA -0.061 4.285 4.350 -0.007 0.000 0.255 123 T C 1.911 176.556 174.700 -0.091 0.000 1.085 123 T CA 0.398 62.454 62.100 -0.074 0.000 1.109 123 T CB 0.238 69.088 68.868 -0.029 0.000 0.921 123 T HN -0.096 nan 8.240 nan 0.000 0.488 124 Q N 0.756 120.485 119.800 -0.118 0.000 2.119 124 Q HA 0.092 4.428 4.340 -0.007 0.000 0.201 124 Q C 2.089 177.998 176.000 -0.151 0.000 0.972 124 Q CA 1.151 56.888 55.803 -0.111 0.000 0.847 124 Q CB -0.892 27.790 28.738 -0.092 0.000 0.903 124 Q HN 0.524 nan 8.270 nan 0.000 0.433 125 L N 0.229 121.293 121.223 -0.265 0.000 2.081 125 L HA -0.177 4.159 4.340 -0.007 0.000 0.212 125 L C 2.063 178.835 176.870 -0.164 0.000 1.080 125 L CA 2.406 57.055 54.840 -0.319 0.000 0.754 125 L CB -0.798 40.911 42.059 -0.583 0.000 0.893 125 L HN 0.410 nan 8.230 nan 0.000 0.433 126 S N -2.249 113.387 115.700 -0.107 0.000 2.522 126 S HA -0.082 4.383 4.470 -0.007 0.000 0.227 126 S C 1.619 176.220 174.600 0.002 0.000 0.986 126 S CA 0.604 58.786 58.200 -0.030 0.000 0.929 126 S CB -0.266 62.924 63.200 -0.017 0.000 0.769 126 S HN 0.702 nan 8.310 nan 0.000 0.529 127 Q N 0.611 120.404 119.800 -0.012 0.000 2.217 127 Q HA 0.469 4.804 4.340 -0.007 0.000 0.217 127 Q C 0.311 176.325 176.000 0.024 0.000 0.844 127 Q CA -0.022 55.782 55.803 0.002 0.000 0.957 127 Q CB 0.643 29.370 28.738 -0.019 0.000 1.127 127 Q HN 0.636 nan 8.270 nan 0.000 0.503 128 A N 3.154 126.005 122.820 0.051 0.000 2.561 128 A HA 0.126 4.442 4.320 -0.007 0.000 0.251 128 A C -2.208 175.476 177.584 0.167 0.000 1.062 128 A CA -0.790 51.310 52.037 0.106 0.000 0.761 128 A CB -0.378 18.685 19.000 0.105 0.000 0.986 128 A HN -0.005 nan 8.150 nan 0.000 0.510 129 P HA 0.057 nan 4.420 nan 0.000 0.260 129 P C 0.800 178.081 177.300 -0.031 0.000 1.185 129 P CA 0.028 63.139 63.100 0.018 0.000 0.763 129 P CB 0.569 32.267 31.700 -0.002 0.000 0.776 130 R N 3.464 123.853 120.500 -0.185 0.000 2.115 130 R HA -0.143 4.193 4.340 -0.007 0.000 0.230 130 R C 1.327 177.376 176.300 -0.418 0.000 1.111 130 R CA 1.882 57.668 56.100 -0.524 0.000 0.976 130 R CB -0.553 29.511 30.300 -0.395 0.000 0.870 130 R HN 0.374 nan 8.270 nan 0.000 0.445 131 Q N -0.673 119.018 119.800 -0.183 0.000 2.403 131 Q HA 0.287 4.623 4.340 -0.007 0.000 0.203 131 Q C 0.053 176.031 176.000 -0.038 0.000 0.932 131 Q CA 0.559 56.301 55.803 -0.102 0.000 0.945 131 Q CB 0.610 29.312 28.738 -0.060 0.000 1.045 131 Q HN 0.346 nan 8.270 nan 0.000 0.511 132 G N -0.056 108.739 108.800 -0.009 0.000 2.432 132 G HA2 0.076 4.031 3.960 -0.007 0.000 0.239 132 G HA3 0.076 4.031 3.960 -0.007 0.000 0.239 132 G C 0.455 175.387 174.900 0.053 0.000 1.291 132 G CA -0.397 44.726 45.100 0.039 0.000 0.863 132 G HN 0.332 nan 8.290 nan 0.000 0.560 133 L N 1.252 122.490 121.223 0.026 0.000 2.362 133 L HA 0.055 4.390 4.340 -0.007 0.000 0.219 133 L C 1.490 178.366 176.870 0.011 0.000 1.134 133 L CA 0.730 55.575 54.840 0.010 0.000 0.807 133 L CB -0.195 41.851 42.059 -0.021 0.000 0.927 133 L HN 0.424 nan 8.230 nan 0.000 0.447 134 L N -1.195 120.039 121.223 0.019 0.000 3.141 134 L HA 0.170 4.505 4.340 -0.007 0.000 0.267 134 L C -0.025 176.861 176.870 0.027 0.000 1.281 134 L CA -0.650 54.190 54.840 0.001 0.000 1.037 134 L CB -0.064 41.972 42.059 -0.038 0.000 1.407 134 L HN 0.056 nan 8.230 nan 0.000 0.566 135 Y N 1.350 121.624 120.300 -0.043 0.000 2.802 135 Y HA 0.159 4.711 4.550 0.003 0.000 0.333 135 Y C 1.507 177.382 175.900 -0.041 0.000 1.244 135 Y CA 1.112 59.188 58.100 -0.040 0.000 1.558 135 Y CB 0.512 38.955 38.460 -0.029 0.000 1.233 135 Y HN 0.429 nan 8.280 nan 0.000 0.547 136 G N 3.735 112.179 108.800 -0.593 0.000 2.168 136 G HA2 -0.286 3.670 3.960 -0.007 0.000 0.263 136 G HA3 -0.286 3.670 3.960 -0.007 0.000 0.263 136 G C -0.322 174.414 174.900 -0.274 0.000 0.977 136 G CA 0.167 44.935 45.100 -0.554 0.000 0.659 136 G HN 0.733 nan 8.290 nan 0.000 0.533 137 V N 2.308 122.108 119.914 -0.189 0.000 2.427 137 V HA 0.344 4.460 4.120 -0.007 0.000 0.268 137 V C -1.447 174.558 176.094 -0.148 0.000 1.046 137 V CA -1.294 60.910 62.300 -0.160 0.000 0.970 137 V CB 1.123 32.872 31.823 -0.122 0.000 1.001 137 V HN 0.134 nan 8.190 nan 0.000 0.476 138 P HA 0.233 nan 4.420 nan 0.000 0.271 138 P C -0.742 176.557 177.300 -0.001 0.000 1.216 138 P CA 0.084 63.080 63.100 -0.173 0.000 0.771 138 P CB 0.784 32.099 31.700 -0.643 0.000 0.864 139 V N 2.558 122.612 119.914 0.233 0.000 2.709 139 V HA 0.394 4.509 4.120 -0.007 0.000 0.308 139 V C -0.043 176.053 176.094 0.004 0.000 1.062 139 V CA -0.597 61.757 62.300 0.090 0.000 0.901 139 V CB 2.208 34.013 31.823 -0.030 0.000 1.003 139 V HN 0.589 nan 8.190 nan 0.000 0.425 140 S N 5.030 120.648 115.700 -0.137 0.000 2.578 140 S HA 0.846 5.311 4.470 -0.007 0.000 0.283 140 S C -0.774 173.682 174.600 -0.239 0.000 1.195 140 S CA -0.727 57.278 58.200 -0.324 0.000 1.050 140 S CB 1.303 64.328 63.200 -0.293 0.000 1.012 140 S HN 0.516 nan 8.310 nan 0.000 0.511 141 L N 1.981 123.077 121.223 -0.212 0.000 2.356 141 L HA 0.510 4.846 4.340 -0.007 0.000 0.277 141 L C 0.237 177.156 176.870 0.083 0.000 0.996 141 L CA -0.878 53.898 54.840 -0.108 0.000 0.822 141 L CB 1.717 43.772 42.059 -0.007 0.000 1.256 141 L HN 0.731 nan 8.230 nan 0.000 0.413 142 K N 2.156 122.642 120.400 0.143 0.000 2.518 142 K HA -0.095 4.221 4.320 -0.007 0.000 0.276 142 K C 1.055 177.755 176.600 0.167 0.000 0.974 142 K CA 0.246 56.658 56.287 0.208 0.000 0.986 142 K CB 0.675 33.373 32.500 0.330 0.000 0.901 142 K HN 0.682 nan 8.250 nan 0.000 0.497 143 E N 2.283 122.429 120.200 -0.089 0.000 2.209 143 E HA -0.214 4.132 4.350 -0.007 0.000 0.196 143 E C 1.542 177.907 176.600 -0.391 0.000 0.993 143 E CA 1.545 57.655 56.400 -0.483 0.000 0.819 143 E CB -0.082 29.447 29.700 -0.286 0.000 0.745 143 E HN 0.807 nan 8.360 nan 0.000 0.477 144 C N -0.346 118.877 119.300 -0.128 0.000 2.472 144 C HA 0.112 4.568 4.460 -0.007 0.000 0.278 144 C C 1.009 175.914 174.990 -0.141 0.000 1.447 144 C CA -0.783 58.153 59.018 -0.137 0.000 1.773 144 C CB -1.722 25.910 27.740 -0.179 0.000 1.793 144 C HN 0.032 nan 8.230 nan 0.000 0.544 145 F N 3.218 123.196 119.950 0.047 0.000 2.468 145 F HA 0.285 4.808 4.527 -0.006 0.000 0.356 145 F C 1.086 177.046 175.800 0.267 0.000 1.167 145 F CA 0.129 58.217 58.000 0.146 0.000 1.135 145 F CB 0.018 39.108 39.000 0.150 0.000 1.197 145 F HN 0.046 nan 8.300 nan 0.000 0.569 146 S N 3.566 119.442 115.700 0.292 0.000 2.552 146 S HA 0.013 4.478 4.470 -0.007 0.000 0.289 146 S C -0.799 173.989 174.600 0.313 0.000 1.304 146 S CA 0.135 58.502 58.200 0.277 0.000 1.063 146 S CB 0.074 63.368 63.200 0.156 0.000 0.848 146 S HN 0.518 nan 8.310 nan 0.000 0.499 147 Y N 2.255 122.665 120.300 0.183 0.000 2.386 147 Y HA 0.327 4.871 4.550 -0.009 0.000 0.334 147 Y C -0.073 175.889 175.900 0.103 0.000 1.002 147 Y CA -0.963 57.168 58.100 0.051 0.000 1.068 147 Y CB 0.988 39.333 38.460 -0.193 0.000 1.203 147 Y HN 0.603 nan 8.280 nan 0.000 0.443 148 K N 3.686 123.985 120.400 -0.168 0.000 2.530 148 K HA 0.211 4.527 4.320 -0.007 0.000 0.280 148 K C 1.044 177.770 176.600 0.210 0.000 1.004 148 K CA 1.689 57.967 56.287 -0.015 0.000 1.071 148 K CB -0.174 32.242 32.500 -0.140 0.000 0.876 148 K HN 1.121 nan 8.250 nan 0.000 0.487 149 G N 3.038 111.936 108.800 0.164 0.000 2.162 149 G HA2 -0.244 3.712 3.960 -0.007 0.000 0.260 149 G HA3 -0.244 3.712 3.960 -0.007 0.000 0.260 149 G C -0.284 174.649 174.900 0.055 0.000 0.976 149 G CA 0.243 45.415 45.100 0.120 0.000 0.655 149 G HN 0.808 nan 8.290 nan 0.000 0.533 150 H N 0.300 119.469 119.070 0.165 0.000 2.572 150 H HA 0.336 4.888 4.556 -0.007 0.000 0.359 150 H C -0.711 174.737 175.328 0.200 0.000 1.134 150 H CA -0.923 55.238 56.048 0.188 0.000 1.187 150 H CB 1.612 31.499 29.762 0.209 0.000 1.597 150 H HN 0.136 nan 8.280 nan 0.000 0.524 151 D N 0.987 121.544 120.400 0.261 0.000 2.423 151 D HA 0.023 4.658 4.640 -0.007 0.000 0.238 151 D C -0.132 176.306 176.300 0.229 0.000 1.142 151 D CA 0.457 54.584 54.000 0.212 0.000 0.884 151 D CB 0.821 41.734 40.800 0.188 0.000 1.199 151 D HN 0.291 nan 8.370 nan 0.000 0.438 152 S N 0.348 116.134 115.700 0.144 0.000 2.457 152 S HA 0.096 4.562 4.470 -0.007 0.000 0.216 152 S C 1.470 176.104 174.600 0.057 0.000 1.392 152 S CA -0.578 57.651 58.200 0.049 0.000 1.102 152 S CB 0.485 63.708 63.200 0.039 0.000 1.114 152 S HN 0.525 nan 8.310 nan 0.000 0.484 153 T N 0.263 114.877 114.554 0.100 0.000 2.867 153 T HA -0.020 4.325 4.350 -0.007 0.000 0.268 153 T C 1.083 175.810 174.700 0.045 0.000 1.057 153 T CA 0.522 62.677 62.100 0.092 0.000 1.136 153 T CB -0.704 68.257 68.868 0.154 0.000 0.874 153 T HN 0.582 nan 8.240 nan 0.000 0.466 154 L N 0.493 121.748 121.223 0.054 0.000 4.001 154 L HA -0.225 4.111 4.340 -0.007 0.000 0.413 154 L C 1.430 178.324 176.870 0.040 0.000 1.185 154 L CA 0.320 55.181 54.840 0.036 0.000 0.963 154 L CB -2.559 39.500 42.059 0.000 0.000 1.976 154 L HN 0.719 nan 8.230 nan 0.000 0.939 155 G N -0.672 108.178 108.800 0.083 0.000 2.168 155 G HA2 -0.317 3.638 3.960 -0.007 0.000 0.263 155 G HA3 -0.317 3.638 3.960 -0.007 0.000 0.263 155 G C 0.104 174.973 174.900 -0.052 0.000 0.977 155 G CA 0.642 45.767 45.100 0.041 0.000 0.659 155 G HN 0.345 nan 8.290 nan 0.000 0.533 156 L N 0.466 121.635 121.223 -0.090 0.000 2.309 156 L HA 0.573 4.908 4.340 -0.007 0.000 0.282 156 L C 1.778 178.582 176.870 -0.111 0.000 1.036 156 L CA 0.107 54.847 54.840 -0.166 0.000 0.806 156 L CB 1.676 43.575 42.059 -0.265 0.000 1.220 156 L HN 0.128 nan 8.230 nan 0.000 0.429 157 S N 2.884 118.524 115.700 -0.101 0.000 2.382 157 S HA -0.161 4.305 4.470 -0.007 0.000 0.228 157 S C 1.676 176.241 174.600 -0.060 0.000 1.027 157 S CA 1.760 59.921 58.200 -0.065 0.000 0.991 157 S CB -0.233 62.942 63.200 -0.041 0.000 0.823 157 S HN 0.634 nan 8.310 nan 0.000 0.469 158 L N 0.291 121.467 121.223 -0.078 0.000 2.376 158 L HA 0.152 4.487 4.340 -0.007 0.000 0.219 158 L C 1.096 177.945 176.870 -0.035 0.000 1.133 158 L CA 1.370 56.175 54.840 -0.057 0.000 0.816 158 L CB -0.438 41.578 42.059 -0.070 0.000 0.933 158 L HN 0.137 nan 8.230 nan 0.000 0.449 159 N N 0.221 118.900 118.700 -0.036 0.000 2.280 159 N HA 0.020 4.756 4.740 -0.007 0.000 0.192 159 N C 0.143 175.663 175.510 0.017 0.000 1.109 159 N CA 0.183 53.231 53.050 -0.003 0.000 0.855 159 N CB 0.014 38.501 38.487 0.001 0.000 0.974 159 N HN 0.477 nan 8.380 nan 0.000 0.482 160 E N 0.530 120.731 120.200 0.002 0.000 2.313 160 E HA 0.247 4.593 4.350 -0.007 0.000 0.276 160 E C 0.515 177.127 176.600 0.020 0.000 1.031 160 E CA -0.004 56.404 56.400 0.013 0.000 0.857 160 E CB 0.604 30.293 29.700 -0.019 0.000 1.040 160 E HN 0.378 nan 8.360 nan 0.000 0.408 161 G N 4.774 113.596 108.800 0.036 0.000 2.198 161 G HA2 -0.194 3.761 3.960 -0.007 0.000 0.260 161 G HA3 -0.194 3.761 3.960 -0.007 0.000 0.260 161 G C 0.164 175.083 174.900 0.031 0.000 1.025 161 G CA 0.438 45.556 45.100 0.030 0.000 0.769 161 G HN 0.365 nan 8.290 nan 0.000 0.507 162 M N 1.018 120.643 119.600 0.042 0.000 2.236 162 M HA 0.265 4.741 4.480 -0.007 0.000 0.228 162 M C -2.471 173.866 176.300 0.062 0.000 0.906 162 M CA -1.948 53.377 55.300 0.043 0.000 0.761 162 M CB 1.058 33.681 32.600 0.038 0.000 1.439 162 M HN 0.058 nan 8.290 nan 0.000 0.394 163 P HA 0.191 nan 4.420 nan 0.000 0.275 163 P C -0.128 177.224 177.300 0.087 0.000 1.228 163 P CA -0.034 63.114 63.100 0.081 0.000 0.786 163 P CB 0.753 32.484 31.700 0.052 0.000 0.927 164 S N 1.135 116.910 115.700 0.124 0.000 2.549 164 S HA 0.006 4.472 4.470 -0.007 0.000 0.283 164 S C 1.386 176.028 174.600 0.070 0.000 1.320 164 S CA -0.219 58.043 58.200 0.104 0.000 1.058 164 S CB 0.353 63.636 63.200 0.139 0.000 0.882 164 S HN 0.520 nan 8.310 nan 0.000 0.498 165 E N 1.259 121.485 120.200 0.042 0.000 2.285 165 E HA -0.032 4.313 4.350 -0.007 0.000 0.194 165 E C 0.289 176.891 176.600 0.004 0.000 0.997 165 E CA 0.344 56.756 56.400 0.021 0.000 0.845 165 E CB 0.296 30.004 29.700 0.013 0.000 0.782 165 E HN 0.669 nan 8.360 nan 0.000 0.491 166 S N -0.615 115.085 115.700 0.001 0.000 2.565 166 S HA 0.249 4.715 4.470 -0.007 0.000 0.269 166 S C -1.284 173.286 174.600 -0.050 0.000 1.153 166 S CA -1.272 56.905 58.200 -0.038 0.000 0.835 166 S CB 1.303 64.485 63.200 -0.030 0.000 1.122 166 S HN -0.121 nan 8.310 nan 0.000 0.462 167 D N 1.686 122.008 120.400 -0.130 0.000 2.472 167 D HA 0.275 4.910 4.640 -0.007 0.000 0.237 167 D C 1.115 177.403 176.300 -0.020 0.000 1.141 167 D CA -0.139 53.779 54.000 -0.135 0.000 0.875 167 D CB 0.300 40.964 40.800 -0.227 0.000 1.192 167 D HN 0.892 nan 8.370 nan 0.000 0.450 168 C N 0.326 119.659 119.300 0.055 0.000 2.705 168 C HA 0.175 4.631 4.460 -0.007 0.000 0.365 168 C C 2.171 177.203 174.990 0.071 0.000 1.353 168 C CA -0.907 58.163 59.018 0.085 0.000 2.339 168 C CB -0.088 27.744 27.740 0.154 0.000 2.576 168 C HN 0.484 nan 8.230 nan 0.000 0.716 169 V N 2.055 122.015 119.914 0.076 0.000 2.295 169 V HA -0.192 3.923 4.120 -0.007 0.000 0.246 169 V C 2.655 178.786 176.094 0.061 0.000 1.049 169 V CA 2.613 64.948 62.300 0.059 0.000 1.024 169 V CB -0.939 30.925 31.823 0.067 0.000 0.648 169 V HN 0.988 nan 8.190 nan 0.000 0.447 170 V N -2.036 117.942 119.914 0.108 0.000 2.407 170 V HA -0.172 3.943 4.120 -0.007 0.000 0.248 170 V C 2.217 178.333 176.094 0.035 0.000 1.055 170 V CA 1.948 64.299 62.300 0.084 0.000 1.049 170 V CB -0.980 30.928 31.823 0.142 0.000 0.662 170 V HN 0.302 nan 8.190 nan 0.000 0.455 171 V N 0.354 120.306 119.914 0.063 0.000 2.427 171 V HA -0.253 3.863 4.120 -0.007 0.000 0.248 171 V C 2.855 178.937 176.094 -0.021 0.000 1.051 171 V CA 2.358 64.676 62.300 0.029 0.000 1.048 171 V CB -0.763 31.112 31.823 0.087 0.000 0.666 171 V HN 0.576 nan 8.190 nan 0.000 0.456 172 Q N -0.568 119.213 119.800 -0.031 0.000 2.096 172 Q HA -0.189 4.146 4.340 -0.007 0.000 0.204 172 Q C 2.305 178.250 176.000 -0.091 0.000 0.982 172 Q CA 1.935 57.697 55.803 -0.067 0.000 0.850 172 Q CB -0.290 28.416 28.738 -0.052 0.000 0.901 172 Q HN 0.556 nan 8.270 nan 0.000 0.422 173 V N 0.877 120.752 119.914 -0.065 0.000 2.453 173 V HA -0.222 3.894 4.120 -0.007 0.000 0.247 173 V C 2.176 178.217 176.094 -0.088 0.000 1.048 173 V CA 1.249 63.499 62.300 -0.083 0.000 1.049 173 V CB -0.490 31.307 31.823 -0.043 0.000 0.672 173 V HN 0.332 nan 8.190 nan 0.000 0.457 174 L N -0.283 120.900 121.223 -0.066 0.000 2.013 174 L HA -0.256 4.080 4.340 -0.007 0.000 0.212 174 L C 2.619 179.449 176.870 -0.067 0.000 1.073 174 L CA 1.928 56.729 54.840 -0.064 0.000 0.753 174 L CB -0.618 41.406 42.059 -0.059 0.000 0.890 174 L HN 0.286 nan 8.230 nan 0.000 0.432 175 K N -0.099 120.258 120.400 -0.072 0.000 2.097 175 K HA -0.120 4.195 4.320 -0.007 0.000 0.205 175 K C 2.061 178.599 176.600 -0.104 0.000 1.050 175 K CA 1.047 57.289 56.287 -0.074 0.000 0.938 175 K CB -0.146 32.309 32.500 -0.074 0.000 0.718 175 K HN 0.235 nan 8.250 nan 0.000 0.442 176 L N 0.936 122.054 121.223 -0.175 0.000 2.201 176 L HA -0.147 4.189 4.340 -0.007 0.000 0.212 176 L C 1.966 178.733 176.870 -0.172 0.000 1.105 176 L CA 0.826 55.496 54.840 -0.283 0.000 0.775 176 L CB -0.096 41.560 42.059 -0.671 0.000 0.913 176 L HN 0.168 nan 8.230 nan 0.000 0.440 177 Q N -0.205 119.537 119.800 -0.098 0.000 2.365 177 Q HA 0.110 4.446 4.340 -0.007 0.000 0.203 177 Q C 1.425 177.429 176.000 0.008 0.000 0.929 177 Q CA 0.755 56.543 55.803 -0.025 0.000 0.948 177 Q CB 0.785 29.508 28.738 -0.025 0.000 1.043 177 Q HN 0.565 nan 8.270 nan 0.000 0.505 178 G N 0.520 109.323 108.800 0.005 0.000 2.175 178 G HA2 -0.289 3.666 3.960 -0.007 0.000 0.244 178 G HA3 -0.289 3.666 3.960 -0.007 0.000 0.244 178 G C 0.431 175.324 174.900 -0.012 0.000 0.982 178 G CA 0.126 45.263 45.100 0.061 0.000 0.641 178 G HN 0.578 nan 8.290 nan 0.000 0.527 179 A N -0.614 122.183 122.820 -0.038 0.000 2.346 179 A HA 0.671 4.987 4.320 -0.007 0.000 0.252 179 A C 0.487 178.036 177.584 -0.058 0.000 1.089 179 A CA 0.657 52.658 52.037 -0.060 0.000 0.797 179 A CB 0.983 19.951 19.000 -0.054 0.000 1.047 179 A HN 1.194 nan 8.150 nan 0.000 0.494 180 V N 2.870 122.758 119.914 -0.044 0.000 2.320 180 V HA 0.250 4.365 4.120 -0.007 0.000 0.268 180 V C -2.545 173.616 176.094 0.111 0.000 1.021 180 V CA -1.340 60.950 62.300 -0.016 0.000 0.813 180 V CB 0.825 32.591 31.823 -0.095 0.000 1.054 180 V HN 0.715 nan 8.190 nan 0.000 0.444 181 P HA 0.118 nan 4.420 nan 0.000 0.263 181 P C 0.069 177.394 177.300 0.042 0.000 1.195 181 P CA 0.280 63.407 63.100 0.044 0.000 0.762 181 P CB 0.266 31.974 31.700 0.013 0.000 0.799 182 F N 2.860 122.705 119.950 -0.175 0.000 2.856 182 F HA 0.346 4.870 4.527 -0.005 0.000 0.338 182 F C -0.276 175.421 175.800 -0.172 0.000 1.005 182 F CA -0.387 57.532 58.000 -0.134 0.000 1.155 182 F CB 0.034 39.094 39.000 0.100 0.000 1.010 182 F HN 0.103 nan 8.300 nan 0.000 0.587 183 V N -1.280 118.152 119.914 -0.804 0.000 3.049 183 V HA 0.550 4.665 4.120 -0.007 0.000 0.309 183 V C -1.258 174.575 176.094 -0.436 0.000 1.148 183 V CA -0.946 61.018 62.300 -0.560 0.000 0.990 183 V CB 1.409 32.897 31.823 -0.558 0.000 1.039 183 V HN 0.294 nan 8.190 nan 0.000 0.430 184 H N 1.572 120.447 119.070 -0.325 0.000 2.502 184 H HA 0.683 5.235 4.556 -0.006 0.000 0.327 184 H C 0.196 175.395 175.328 -0.215 0.000 1.099 184 H CA 0.100 56.009 56.048 -0.231 0.000 1.323 184 H CB 1.696 31.356 29.762 -0.170 0.000 1.450 184 H HN 1.044 nan 8.280 nan 0.000 0.502 185 T N 0.856 115.388 114.554 -0.037 0.000 2.918 185 T HA 0.181 4.527 4.350 -0.007 0.000 0.286 185 T C 0.277 174.929 174.700 -0.080 0.000 1.026 185 T CA -1.190 60.860 62.100 -0.083 0.000 1.031 185 T CB 1.627 70.454 68.868 -0.070 0.000 1.046 185 T HN 0.440 nan 8.240 nan 0.000 0.479 186 N N 0.304 118.956 118.700 -0.080 0.000 2.415 186 N HA 0.411 5.146 4.740 -0.007 0.000 0.248 186 N C -0.422 175.095 175.510 0.012 0.000 1.271 186 N CA -0.212 52.811 53.050 -0.046 0.000 0.913 186 N CB 0.585 39.065 38.487 -0.012 0.000 1.129 186 N HN 0.809 nan 8.380 nan 0.000 0.444 187 V N -0.653 119.291 119.914 0.051 0.000 3.078 187 V HA 0.751 4.867 4.120 -0.007 0.000 0.311 187 V C -2.652 173.496 176.094 0.090 0.000 1.138 187 V CA -2.104 60.235 62.300 0.065 0.000 1.007 187 V CB 1.883 33.741 31.823 0.058 0.000 1.045 187 V HN 0.613 nan 8.190 nan 0.000 0.432 188 P HA 0.106 nan 4.420 nan 0.000 0.272 188 P C -0.602 176.778 177.300 0.133 0.000 1.223 188 P CA -0.046 63.117 63.100 0.104 0.000 0.784 188 P CB 0.527 32.283 31.700 0.094 0.000 0.923 189 Q N 1.820 121.707 119.800 0.145 0.000 2.263 189 Q HA 0.035 4.370 4.340 -0.007 0.000 0.289 189 Q C 0.723 176.845 176.000 0.204 0.000 1.061 189 Q CA 1.233 57.120 55.803 0.140 0.000 0.927 189 Q CB -0.220 28.618 28.738 0.166 0.000 1.154 189 Q HN 0.707 nan 8.270 nan 0.000 0.378 190 S N 3.411 119.170 115.700 0.098 0.000 2.929 190 S HA -0.322 4.144 4.470 -0.007 0.000 0.271 190 S C 0.591 175.378 174.600 0.312 0.000 1.295 190 S CA 1.540 59.837 58.200 0.161 0.000 1.277 190 S CB -1.804 61.567 63.200 0.285 0.000 1.557 190 S HN 1.024 nan 8.310 nan 0.000 0.666 191 M N -2.595 117.153 119.600 0.246 0.000 2.872 191 M HA -0.214 4.261 4.480 -0.007 0.000 0.183 191 M C 0.032 176.488 176.300 0.260 0.000 0.631 191 M CA 1.434 56.860 55.300 0.211 0.000 0.672 191 M CB -2.182 30.507 32.600 0.150 0.000 2.432 191 M HN 0.522 nan 8.290 nan 0.000 0.376 192 F N 0.517 120.609 119.950 0.237 0.000 2.983 192 F HA 0.498 5.020 4.527 -0.008 0.000 0.307 192 F C 0.558 176.459 175.800 0.168 0.000 1.218 192 F CA 0.005 58.130 58.000 0.207 0.000 1.323 192 F CB 0.759 39.899 39.000 0.234 0.000 0.989 192 F HN 0.035 nan 8.300 nan 0.000 0.509 193 S N -0.446 115.318 115.700 0.107 0.000 2.564 193 S HA 0.286 4.751 4.470 -0.007 0.000 0.274 193 S C -0.075 174.515 174.600 -0.018 0.000 1.124 193 S CA -0.486 57.728 58.200 0.024 0.000 0.869 193 S CB 0.729 63.943 63.200 0.024 0.000 1.105 193 S HN 0.306 nan 8.310 nan 0.000 0.472 194 Y N 1.175 121.342 120.300 -0.222 0.000 2.493 194 Y HA 0.503 5.049 4.550 -0.008 0.000 0.275 194 Y C 0.404 176.185 175.900 -0.198 0.000 1.183 194 Y CA -0.692 57.209 58.100 -0.330 0.000 1.258 194 Y CB -0.267 37.646 38.460 -0.912 0.000 1.108 194 Y HN 0.458 nan 8.280 nan 0.000 0.521 195 D N 0.056 120.312 120.400 -0.241 0.000 2.507 195 D HA 0.261 4.896 4.640 -0.007 0.000 0.280 195 D C -0.659 175.629 176.300 -0.020 0.000 1.219 195 D CA -0.753 53.177 54.000 -0.117 0.000 1.085 195 D CB 1.783 42.499 40.800 -0.142 0.000 1.134 195 D HN 0.178 nan 8.370 nan 0.000 0.583 196 C N 1.303 120.610 119.300 0.011 0.000 3.319 196 C HA 0.552 5.007 4.460 -0.007 0.000 0.258 196 C C -0.962 174.056 174.990 0.048 0.000 1.068 196 C CA -0.277 58.765 59.018 0.040 0.000 1.193 196 C CB -1.465 26.303 27.740 0.048 0.000 1.770 196 C HN 0.359 nan 8.230 nan 0.000 0.604 197 S N 3.030 118.762 115.700 0.052 0.000 2.541 197 S HA 0.878 5.343 4.470 -0.007 0.000 0.280 197 S C -0.946 173.700 174.600 0.077 0.000 1.112 197 S CA -0.348 57.887 58.200 0.058 0.000 0.925 197 S CB 1.328 64.549 63.200 0.034 0.000 1.067 197 S HN 0.950 nan 8.310 nan 0.000 0.479 198 N N 2.120 120.868 118.700 0.080 0.000 2.494 198 N HA 0.562 5.297 4.740 -0.007 0.000 0.270 198 N C -2.887 172.633 175.510 0.017 0.000 1.285 198 N CA -1.544 51.548 53.050 0.071 0.000 0.812 198 N CB 1.407 39.951 38.487 0.095 0.000 1.557 198 N HN 0.186 nan 8.380 nan 0.000 0.487 199 P HA 0.048 nan 4.420 nan 0.000 0.234 199 P C 0.569 177.785 177.300 -0.141 0.000 1.167 199 P CA 0.688 63.741 63.100 -0.078 0.000 0.763 199 P CB 0.276 31.958 31.700 -0.031 0.000 0.835 200 L N -2.906 118.195 121.223 -0.204 0.000 2.145 200 L HA 0.084 4.420 4.340 -0.007 0.000 0.201 200 L C 1.591 178.116 176.870 -0.575 0.000 1.075 200 L CA 1.258 55.814 54.840 -0.474 0.000 0.773 200 L CB -0.448 41.161 42.059 -0.750 0.000 0.936 200 L HN -0.092 nan 8.230 nan 0.000 0.451 201 F N -0.571 119.382 119.950 0.005 0.000 2.682 201 F HA 0.411 4.934 4.527 -0.007 0.000 0.308 201 F C 1.433 177.230 175.800 -0.005 0.000 1.093 201 F CA 0.191 58.194 58.000 0.005 0.000 1.244 201 F CB 0.356 39.364 39.000 0.014 0.000 1.052 201 F HN 0.144 nan 8.300 nan 0.000 0.573 202 G N 1.103 109.966 108.800 0.106 0.000 2.553 202 G HA2 -0.296 3.660 3.960 -0.007 0.000 0.242 202 G HA3 -0.296 3.660 3.960 -0.007 0.000 0.242 202 G C -0.585 174.359 174.900 0.073 0.000 1.277 202 G CA -0.517 44.618 45.100 0.059 0.000 0.910 202 G HN 0.325 nan 8.290 nan 0.000 0.576 203 Q N 0.138 119.964 119.800 0.044 0.000 2.278 203 Q HA 0.583 4.919 4.340 -0.007 0.000 0.257 203 Q C -0.086 175.935 176.000 0.035 0.000 0.928 203 Q CA -0.246 55.578 55.803 0.035 0.000 0.932 203 Q CB 0.775 29.522 28.738 0.016 0.000 1.221 203 Q HN 0.630 nan 8.270 nan 0.000 0.434 204 T N 4.425 119.003 114.554 0.040 0.000 2.909 204 T HA 0.442 4.788 4.350 -0.007 0.000 0.289 204 T C -0.140 174.583 174.700 0.037 0.000 1.005 204 T CA -0.174 61.946 62.100 0.035 0.000 1.084 204 T CB 0.652 69.543 68.868 0.038 0.000 0.975 204 T HN 0.581 nan 8.240 nan 0.000 0.509 205 M N 2.559 122.180 119.600 0.036 0.000 2.598 205 M HA 0.364 4.840 4.480 -0.007 0.000 0.317 205 M C 0.208 176.551 176.300 0.072 0.000 1.179 205 M CA -0.965 54.361 55.300 0.044 0.000 0.936 205 M CB 1.547 34.163 32.600 0.026 0.000 1.713 205 M HN 0.432 nan 8.290 nan 0.000 0.460 206 N N 3.248 122.006 118.700 0.096 0.000 2.475 206 N HA 0.146 4.882 4.740 -0.007 0.000 0.267 206 N C -1.939 173.663 175.510 0.153 0.000 1.169 206 N CA -1.268 51.873 53.050 0.152 0.000 0.947 206 N CB 1.181 39.762 38.487 0.157 0.000 1.061 206 N HN 0.363 nan 8.380 nan 0.000 0.466 207 P HA -0.041 nan 4.420 nan 0.000 0.223 207 P C 0.750 178.084 177.300 0.057 0.000 1.151 207 P CA 1.003 64.146 63.100 0.071 0.000 0.787 207 P CB 0.018 31.725 31.700 0.012 0.000 0.788 208 W N 0.939 122.244 121.300 0.009 0.000 2.584 208 W HA 0.173 4.829 4.660 -0.008 0.000 0.264 208 W C 0.925 177.439 176.519 -0.008 0.000 1.264 208 W CA 0.558 57.904 57.345 0.002 0.000 1.306 208 W CB 0.016 29.479 29.460 0.004 0.000 1.110 208 W HN -0.086 nan 8.180 nan 0.000 0.606 209 K N -0.366 120.156 120.400 0.203 0.000 2.610 209 K HA 0.058 4.373 4.320 -0.007 0.000 0.274 209 K C 0.769 177.409 176.600 0.067 0.000 1.049 209 K CA 0.278 56.630 56.287 0.107 0.000 0.945 209 K CB 0.720 33.274 32.500 0.091 0.000 1.313 209 K HN -0.146 nan 8.250 nan 0.000 0.463 210 S N 0.925 116.649 115.700 0.039 0.000 2.442 210 S HA -0.159 4.306 4.470 -0.007 0.000 0.236 210 S C 1.525 176.134 174.600 0.015 0.000 1.007 210 S CA 1.464 59.678 58.200 0.024 0.000 0.965 210 S CB -0.210 62.995 63.200 0.008 0.000 0.773 210 S HN 0.626 nan 8.310 nan 0.000 0.504 211 S N 0.521 116.226 115.700 0.009 0.000 2.561 211 S HA 0.196 4.661 4.470 -0.007 0.000 0.225 211 S C 0.531 175.125 174.600 -0.011 0.000 0.977 211 S CA -0.195 58.002 58.200 -0.004 0.000 0.926 211 S CB -0.197 62.996 63.200 -0.011 0.000 0.769 211 S HN 0.243 nan 8.310 nan 0.000 0.533 212 K N 1.883 122.284 120.400 0.000 0.000 2.156 212 K HA 0.438 4.753 4.320 -0.007 0.000 0.254 212 K C -0.241 176.373 176.600 0.022 0.000 0.950 212 K CA -0.409 55.869 56.287 -0.015 0.000 0.849 212 K CB 1.685 34.166 32.500 -0.031 0.000 1.100 212 K HN 0.184 nan 8.250 nan 0.000 0.434 213 S N 2.315 118.031 115.700 0.026 0.000 2.562 213 S HA 0.127 4.593 4.470 -0.007 0.000 0.281 213 S C -1.505 173.225 174.600 0.216 0.000 1.333 213 S CA -1.011 57.253 58.200 0.107 0.000 1.052 213 S CB 0.396 63.678 63.200 0.136 0.000 0.884 213 S HN 0.335 nan 8.310 nan 0.000 0.506 214 P HA 0.233 nan 4.420 nan 0.000 0.249 214 P C 0.761 178.219 177.300 0.264 0.000 1.229 214 P CA 0.659 63.899 63.100 0.233 0.000 0.788 214 P CB -0.657 31.129 31.700 0.143 0.000 1.072 215 G N -0.937 108.038 108.800 0.293 0.000 2.728 215 G HA2 0.253 4.209 3.960 -0.007 0.000 0.294 215 G HA3 0.253 4.209 3.960 -0.007 0.000 0.294 215 G C -0.324 174.586 174.900 0.017 0.000 1.342 215 G CA -0.633 44.465 45.100 -0.003 0.000 0.866 215 G HN 0.613 nan 8.290 nan 0.000 0.534 216 G N -2.543 106.262 108.800 0.009 0.000 2.349 216 G HA2 0.709 4.664 3.960 -0.007 0.000 0.294 216 G HA3 0.709 4.664 3.960 -0.007 0.000 0.294 216 G C 0.844 175.807 174.900 0.105 0.000 1.380 216 G CA 0.885 46.016 45.100 0.052 0.000 0.811 216 G HN 2.169 nan 8.290 nan 0.000 0.519 217 S N -1.068 114.678 115.700 0.076 0.000 2.515 217 S HA 0.044 4.509 4.470 -0.007 0.000 0.231 217 S C 1.348 175.983 174.600 0.058 0.000 0.987 217 S CA 1.287 59.521 58.200 0.057 0.000 0.936 217 S CB 0.041 63.271 63.200 0.050 0.000 0.766 217 S HN 0.672 nan 8.310 nan 0.000 0.528 218 S N 1.809 117.545 115.700 0.060 0.000 3.122 218 S HA 0.366 4.831 4.470 -0.007 0.000 0.249 218 S C 1.468 176.097 174.600 0.049 0.000 1.334 218 S CA -0.029 58.208 58.200 0.061 0.000 1.251 218 S CB -0.155 63.085 63.200 0.068 0.000 1.034 218 S HN 0.685 nan 8.310 nan 0.000 0.478 219 G N 1.868 110.697 108.800 0.048 0.000 2.403 219 G HA2 -0.003 3.953 3.960 -0.007 0.000 0.216 219 G HA3 -0.003 3.953 3.960 -0.007 0.000 0.216 219 G C 1.378 176.306 174.900 0.047 0.000 1.154 219 G CA 0.445 45.576 45.100 0.052 0.000 0.784 219 G HN 0.595 nan 8.290 nan 0.000 0.538 220 G N 0.819 109.637 108.800 0.030 0.000 2.440 220 G HA2 -0.160 3.795 3.960 -0.007 0.000 0.218 220 G HA3 -0.160 3.795 3.960 -0.007 0.000 0.218 220 G C 1.636 176.540 174.900 0.006 0.000 1.154 220 G CA 1.114 46.219 45.100 0.009 0.000 0.767 220 G HN 0.352 nan 8.290 nan 0.000 0.552 221 E N 0.751 120.957 120.200 0.010 0.000 2.051 221 E HA -0.105 4.241 4.350 -0.007 0.000 0.192 221 E C 2.805 179.423 176.600 0.030 0.000 0.991 221 E CA 1.103 57.506 56.400 0.005 0.000 0.799 221 E CB -1.042 28.661 29.700 0.006 0.000 0.748 221 E HN 0.334 nan 8.360 nan 0.000 0.449 222 G N 1.487 110.316 108.800 0.048 0.000 2.529 222 G HA2 -0.310 3.645 3.960 -0.007 0.000 0.219 222 G HA3 -0.310 3.645 3.960 -0.007 0.000 0.219 222 G C 1.768 176.727 174.900 0.099 0.000 1.177 222 G CA 2.038 47.185 45.100 0.078 0.000 0.773 222 G HN 0.424 nan 8.290 nan 0.000 0.573 223 A N 0.098 122.970 122.820 0.086 0.000 1.877 223 A HA 0.100 4.416 4.320 -0.007 0.000 0.216 223 A C 2.401 180.020 177.584 0.059 0.000 1.186 223 A CA 1.778 53.865 52.037 0.084 0.000 0.620 223 A CB -0.530 18.507 19.000 0.062 0.000 0.822 223 A HN 0.429 nan 8.150 nan 0.000 0.443 224 L N 0.140 121.386 121.223 0.038 0.000 1.976 224 L HA -0.126 4.209 4.340 -0.007 0.000 0.209 224 L C 2.303 179.210 176.870 0.061 0.000 1.071 224 L CA 1.966 56.828 54.840 0.036 0.000 0.746 224 L CB -0.499 41.564 42.059 0.007 0.000 0.890 224 L HN 0.454 nan 8.230 nan 0.000 0.432 225 I N -0.833 119.772 120.570 0.059 0.000 2.315 225 I HA -0.172 3.993 4.170 -0.007 0.000 0.248 225 I C 2.353 178.523 176.117 0.089 0.000 1.117 225 I CA 1.147 62.489 61.300 0.070 0.000 1.404 225 I CB -0.997 37.032 38.000 0.049 0.000 1.071 225 I HN 0.420 nan 8.210 nan 0.000 0.419 226 G N 0.300 109.163 108.800 0.105 0.000 2.484 226 G HA2 -0.179 3.776 3.960 -0.007 0.000 0.218 226 G HA3 -0.179 3.776 3.960 -0.007 0.000 0.218 226 G C 1.586 176.527 174.900 0.068 0.000 1.130 226 G CA 0.914 46.102 45.100 0.147 0.000 0.784 226 G HN 0.517 nan 8.290 nan 0.000 0.543 227 S N -1.260 114.458 115.700 0.031 0.000 2.556 227 S HA 0.422 4.887 4.470 -0.007 0.000 0.216 227 S C 1.627 176.220 174.600 -0.011 0.000 0.970 227 S CA 0.814 58.994 58.200 -0.033 0.000 0.912 227 S CB 0.395 63.574 63.200 -0.035 0.000 0.790 227 S HN 1.362 nan 8.310 nan 0.000 0.504 228 G N 0.481 109.308 108.800 0.045 0.000 2.159 228 G HA2 -0.156 3.800 3.960 -0.007 0.000 0.227 228 G HA3 -0.156 3.800 3.960 -0.007 0.000 0.227 228 G C 0.775 175.774 174.900 0.165 0.000 0.986 228 G CA -0.072 45.075 45.100 0.079 0.000 0.651 228 G HN 0.901 nan 8.290 nan 0.000 0.523 229 G N -0.582 108.320 108.800 0.169 0.000 2.880 229 G HA2 0.456 4.411 3.960 -0.007 0.000 0.209 229 G HA3 0.456 4.411 3.960 -0.007 0.000 0.209 229 G C 0.472 175.601 174.900 0.383 0.000 1.157 229 G CA 1.509 46.755 45.100 0.243 0.000 0.779 229 G HN 1.553 nan 8.290 nan 0.000 0.539 230 S N -0.367 115.495 115.700 0.270 0.000 2.543 230 S HA 0.537 5.003 4.470 -0.007 0.000 0.271 230 S C -2.392 172.184 174.600 -0.041 0.000 1.148 230 S CA -0.997 57.255 58.200 0.087 0.000 0.914 230 S CB 2.516 65.785 63.200 0.115 0.000 1.096 230 S HN -0.091 nan 8.310 nan 0.000 0.471 231 P HA 0.273 nan 4.420 nan 0.000 0.245 231 P C -0.267 176.971 177.300 -0.102 0.000 1.206 231 P CA 0.150 63.147 63.100 -0.172 0.000 0.781 231 P CB 0.073 31.579 31.700 -0.323 0.000 0.994 232 L N -1.081 120.081 121.223 -0.102 0.000 2.666 232 L HA 0.727 5.062 4.340 -0.007 0.000 0.259 232 L C -1.138 175.684 176.870 -0.080 0.000 0.919 232 L CA -0.425 54.367 54.840 -0.081 0.000 0.927 232 L CB 1.634 43.636 42.059 -0.095 0.000 1.423 232 L HN 0.001 nan 8.230 nan 0.000 0.426 233 G N 3.526 112.276 108.800 -0.084 0.000 2.725 233 G HA2 0.689 4.644 3.960 -0.007 0.000 0.288 233 G HA3 0.689 4.644 3.960 -0.007 0.000 0.288 233 G C -2.001 172.810 174.900 -0.149 0.000 1.399 233 G CA -0.792 44.235 45.100 -0.121 0.000 0.859 233 G HN 0.612 nan 8.290 nan 0.000 0.479 234 L N 0.350 121.421 121.223 -0.253 0.000 2.329 234 L HA 0.762 5.097 4.340 -0.007 0.000 0.279 234 L C 0.715 177.504 176.870 -0.136 0.000 1.014 234 L CA -0.681 53.966 54.840 -0.322 0.000 0.814 234 L CB 1.955 43.529 42.059 -0.808 0.000 1.257 234 L HN 0.764 nan 8.230 nan 0.000 0.424 235 G N 0.467 109.327 108.800 0.101 0.000 3.042 235 G HA2 0.751 4.707 3.960 -0.007 0.000 0.278 235 G HA3 0.751 4.707 3.960 -0.007 0.000 0.278 235 G C -0.918 174.190 174.900 0.346 0.000 1.371 235 G CA -0.305 44.958 45.100 0.271 0.000 1.009 235 G HN 0.523 nan 8.290 nan 0.000 0.523 236 T N -2.264 112.411 114.554 0.202 0.000 2.901 236 T HA 0.689 5.034 4.350 -0.007 0.000 0.293 236 T C -1.820 172.907 174.700 0.044 0.000 1.084 236 T CA -0.727 61.431 62.100 0.098 0.000 1.008 236 T CB 2.666 71.528 68.868 -0.010 0.000 1.170 236 T HN 0.521 nan 8.240 nan 0.000 0.509 237 D N 0.605 121.014 120.400 0.015 0.000 2.548 237 D HA 0.243 4.879 4.640 -0.007 0.000 0.214 237 D C -0.418 175.867 176.300 -0.026 0.000 1.345 237 D CA -0.481 53.510 54.000 -0.015 0.000 0.945 237 D CB 1.681 42.468 40.800 -0.023 0.000 1.499 237 D HN 0.637 nan 8.370 nan 0.000 0.579 238 I N 1.808 122.350 120.570 -0.047 0.000 4.181 238 I HA 0.330 4.496 4.170 -0.007 0.000 0.331 238 I C 1.008 177.080 176.117 -0.075 0.000 1.312 238 I CA 0.217 61.489 61.300 -0.047 0.000 1.146 238 I CB 0.768 38.756 38.000 -0.019 0.000 1.074 238 I HN 0.454 nan 8.210 nan 0.000 0.402 239 G N -0.571 108.169 108.800 -0.100 0.000 4.596 239 G HA2 0.386 4.342 3.960 -0.007 0.000 0.276 239 G HA3 0.386 4.342 3.960 -0.007 0.000 0.276 239 G C 0.724 175.569 174.900 -0.091 0.000 1.013 239 G CA 0.385 45.429 45.100 -0.093 0.000 0.778 239 G HN 0.397 nan 8.290 nan 0.000 0.389 240 G N -0.098 108.606 108.800 -0.160 0.000 2.198 240 G HA2 -0.199 3.756 3.960 -0.007 0.000 0.156 240 G HA3 -0.199 3.756 3.960 -0.007 0.000 0.156 240 G C 1.092 175.808 174.900 -0.306 0.000 1.012 240 G CA 0.505 45.348 45.100 -0.428 0.000 0.692 240 G HN 0.427 nan 8.290 nan 0.000 0.492 241 S N -0.179 115.493 115.700 -0.046 0.000 2.603 241 S HA 0.235 4.700 4.470 -0.007 0.000 0.229 241 S C 2.071 176.679 174.600 0.013 0.000 0.972 241 S CA 0.875 59.108 58.200 0.056 0.000 0.935 241 S CB -0.036 63.184 63.200 0.032 0.000 0.769 241 S HN 0.541 nan 8.310 nan 0.000 0.536 242 I N 0.410 120.956 120.570 -0.041 0.000 2.731 242 I HA 0.032 4.198 4.170 -0.007 0.000 0.260 242 I C 2.376 178.444 176.117 -0.082 0.000 1.138 242 I CA 0.507 61.789 61.300 -0.031 0.000 1.461 242 I CB 0.019 38.008 38.000 -0.017 0.000 1.128 242 I HN 0.128 nan 8.210 nan 0.000 0.438 243 R N 0.183 120.575 120.500 -0.179 0.000 2.075 243 R HA -0.047 4.289 4.340 -0.007 0.000 0.226 243 R C 2.230 178.360 176.300 -0.283 0.000 1.114 243 R CA 1.272 57.229 56.100 -0.239 0.000 0.972 243 R CB -0.330 29.784 30.300 -0.310 0.000 0.869 243 R HN 0.116 nan 8.270 nan 0.000 0.437 244 F N 1.407 121.199 119.950 -0.263 0.000 2.043 244 F HA -0.146 4.377 4.527 -0.008 0.000 0.297 244 F C -0.548 174.886 175.800 -0.609 0.000 1.121 244 F CA 1.217 58.881 58.000 -0.560 0.000 1.199 244 F CB -1.720 36.918 39.000 -0.603 0.000 0.968 244 F HN 0.040 nan 8.300 nan 0.000 0.478 245 P HA -0.089 nan 4.420 nan 0.000 0.217 245 P C 1.643 178.951 177.300 0.013 0.000 1.150 245 P CA 1.793 64.857 63.100 -0.060 0.000 0.832 245 P CB -0.115 31.590 31.700 0.008 0.000 0.787 246 S N 0.506 116.202 115.700 -0.006 0.000 2.359 246 S HA -0.135 4.330 4.470 -0.007 0.000 0.224 246 S C 2.241 176.868 174.600 0.045 0.000 1.035 246 S CA 1.632 59.844 58.200 0.020 0.000 1.018 246 S CB -1.056 62.139 63.200 -0.009 0.000 0.876 246 S HN 0.215 nan 8.310 nan 0.000 0.448 247 A N 0.899 123.742 122.820 0.037 0.000 1.929 247 A HA 0.048 4.363 4.320 -0.007 0.000 0.216 247 A C 1.776 179.508 177.584 0.247 0.000 1.176 247 A CA 1.074 53.176 52.037 0.108 0.000 0.628 247 A CB -0.649 18.422 19.000 0.120 0.000 0.816 247 A HN 0.442 nan 8.150 nan 0.000 0.444 248 F N -0.504 119.457 119.950 0.018 0.000 2.259 248 F HA -0.076 4.446 4.527 -0.007 0.000 0.298 248 F C 2.246 178.007 175.800 -0.065 0.000 1.088 248 F CA -0.041 57.951 58.000 -0.014 0.000 1.358 248 F CB -1.136 37.897 39.000 0.055 0.000 1.040 248 F HN 0.230 nan 8.300 nan 0.000 0.505 249 C N -0.659 118.764 119.300 0.206 0.000 2.791 249 C HA 0.531 4.986 4.460 -0.007 0.000 0.270 249 C C 1.648 176.792 174.990 0.256 0.000 1.257 249 C CA 0.263 59.419 59.018 0.230 0.000 1.699 249 C CB -0.860 27.030 27.740 0.250 0.000 1.904 249 C HN 0.696 nan 8.230 nan 0.000 0.603 250 G N 2.114 110.967 108.800 0.088 0.000 2.248 250 G HA2 -0.204 3.751 3.960 -0.007 0.000 0.263 250 G HA3 -0.204 3.751 3.960 -0.007 0.000 0.263 250 G C -0.261 174.732 174.900 0.155 0.000 1.082 250 G CA 0.581 45.732 45.100 0.085 0.000 0.863 250 G HN 0.780 nan 8.290 nan 0.000 0.495 251 I N -4.036 116.598 120.570 0.107 0.000 3.343 251 I HA 0.840 5.006 4.170 -0.007 0.000 0.315 251 I C 0.254 176.396 176.117 0.042 0.000 1.153 251 I CA -1.721 59.630 61.300 0.085 0.000 0.952 251 I CB 1.721 39.776 38.000 0.093 0.000 1.287 251 I HN 0.053 nan 8.210 nan 0.000 0.472 252 C N 1.473 120.790 119.300 0.029 0.000 2.366 252 C HA 0.942 5.397 4.460 -0.007 0.000 0.345 252 C C 0.566 175.557 174.990 0.002 0.000 1.209 252 C CA -0.084 58.938 59.018 0.007 0.000 2.050 252 C CB 0.218 27.962 27.740 0.007 0.000 2.359 252 C HN 1.011 nan 8.230 nan 0.000 0.527 253 G N 1.143 109.937 108.800 -0.011 0.000 2.690 253 G HA2 0.666 4.622 3.960 -0.007 0.000 0.293 253 G HA3 0.666 4.622 3.960 -0.007 0.000 0.293 253 G C -2.142 172.748 174.900 -0.016 0.000 1.399 253 G CA -0.364 44.728 45.100 -0.013 0.000 0.890 253 G HN 0.660 nan 8.290 nan 0.000 0.485 254 L N 0.336 121.556 121.223 -0.006 0.000 2.409 254 L HA 0.680 5.016 4.340 -0.007 0.000 0.272 254 L C -0.390 176.485 176.870 0.009 0.000 0.980 254 L CA -0.829 54.013 54.840 0.003 0.000 0.826 254 L CB 2.029 44.099 42.059 0.019 0.000 1.268 254 L HN 0.456 nan 8.230 nan 0.000 0.407 255 K N 6.830 127.232 120.400 0.003 0.000 2.299 255 K HA 0.508 4.823 4.320 -0.007 0.000 0.268 255 K C -2.553 174.056 176.600 0.015 0.000 1.075 255 K CA -1.711 54.582 56.287 0.009 0.000 0.936 255 K CB 1.086 33.582 32.500 -0.006 0.000 1.228 255 K HN 0.371 nan 8.250 nan 0.000 0.454 256 P HA 0.029 nan 4.420 nan 0.000 0.275 256 P C -0.599 176.676 177.300 -0.042 0.000 1.270 256 P CA -0.297 62.808 63.100 0.009 0.000 0.791 256 P CB 0.340 32.068 31.700 0.047 0.000 1.089 257 T N 0.386 114.863 114.554 -0.129 0.000 2.946 257 T HA 0.066 4.411 4.350 -0.007 0.000 0.312 257 T C 1.897 176.474 174.700 -0.205 0.000 1.066 257 T CA 0.822 62.743 62.100 -0.299 0.000 1.138 257 T CB 0.030 68.446 68.868 -0.752 0.000 1.014 257 T HN 0.571 nan 8.240 nan 0.000 0.544 258 G N 2.125 110.818 108.800 -0.177 0.000 2.529 258 G HA2 -0.270 3.685 3.960 -0.007 0.000 0.219 258 G HA3 -0.270 3.685 3.960 -0.007 0.000 0.219 258 G C 1.219 176.128 174.900 0.014 0.000 1.177 258 G CA 0.668 45.736 45.100 -0.054 0.000 0.773 258 G HN 0.669 nan 8.290 nan 0.000 0.573 259 N N -0.622 118.098 118.700 0.033 0.000 2.376 259 N HA 0.155 4.891 4.740 -0.007 0.000 0.249 259 N C 1.592 177.318 175.510 0.360 0.000 1.140 259 N CA -0.220 52.953 53.050 0.205 0.000 0.870 259 N CB 0.152 38.803 38.487 0.273 0.000 1.124 259 N HN 0.182 nan 8.380 nan 0.000 0.505 260 R N -0.521 120.149 120.500 0.285 0.000 2.127 260 R HA 0.277 4.613 4.340 -0.007 0.000 0.217 260 R C -0.002 176.475 176.300 0.294 0.000 1.074 260 R CA 1.061 57.388 56.100 0.379 0.000 0.991 260 R CB 0.169 30.637 30.300 0.279 0.000 0.895 260 R HN 0.197 nan 8.270 nan 0.000 0.450 261 L N -0.759 120.594 121.223 0.216 0.000 2.303 261 L HA 0.417 4.753 4.340 -0.007 0.000 0.266 261 L C -0.208 176.766 176.870 0.174 0.000 1.011 261 L CA -1.151 53.803 54.840 0.190 0.000 0.818 261 L CB 1.800 43.953 42.059 0.157 0.000 1.326 261 L HN -0.086 nan 8.230 nan 0.000 0.435 262 S N -0.137 115.658 115.700 0.160 0.000 2.513 262 S HA 0.218 4.683 4.470 -0.007 0.000 0.276 262 S C 0.434 175.110 174.600 0.128 0.000 1.254 262 S CA -0.428 57.856 58.200 0.141 0.000 1.053 262 S CB 0.598 63.874 63.200 0.127 0.000 0.958 262 S HN 0.603 nan 8.310 nan 0.000 0.491 263 K N 2.539 123.001 120.400 0.104 0.000 2.387 263 K HA 0.118 4.434 4.320 -0.007 0.000 0.198 263 K C 0.453 177.093 176.600 0.067 0.000 1.022 263 K CA -0.093 56.239 56.287 0.075 0.000 1.128 263 K CB 0.364 32.904 32.500 0.067 0.000 0.853 263 K HN 0.532 nan 8.250 nan 0.000 0.523 264 S N 0.369 116.114 115.700 0.075 0.000 2.525 264 S HA 0.201 4.667 4.470 -0.007 0.000 0.285 264 S C 1.185 175.818 174.600 0.056 0.000 1.283 264 S CA 0.902 59.137 58.200 0.058 0.000 1.072 264 S CB 0.181 63.416 63.200 0.057 0.000 0.867 264 S HN 0.643 nan 8.310 nan 0.000 0.492 265 G N 3.370 112.194 108.800 0.041 0.000 2.176 265 G HA2 -0.209 3.746 3.960 -0.007 0.000 0.253 265 G HA3 -0.209 3.746 3.960 -0.007 0.000 0.253 265 G C -0.153 174.774 174.900 0.045 0.000 0.979 265 G CA 0.124 45.252 45.100 0.045 0.000 0.641 265 G HN 0.726 nan 8.290 nan 0.000 0.530 266 L N 0.860 122.093 121.223 0.017 0.000 2.410 266 L HA 0.560 4.896 4.340 -0.007 0.000 0.273 266 L C 0.708 177.600 176.870 0.037 0.000 1.152 266 L CA -0.070 54.730 54.840 -0.066 0.000 0.855 266 L CB 1.171 43.134 42.059 -0.160 0.000 1.129 266 L HN 0.254 nan 8.230 nan 0.000 0.463 267 K N 1.692 122.098 120.400 0.011 0.000 2.249 267 K HA 0.670 4.986 4.320 -0.007 0.000 0.280 267 K C -0.072 176.547 176.600 0.031 0.000 1.033 267 K CA 0.010 56.353 56.287 0.093 0.000 0.946 267 K CB 1.023 33.558 32.500 0.058 0.000 1.005 267 K HN 0.712 nan 8.250 nan 0.000 0.469 268 G N 0.976 109.783 108.800 0.012 0.000 2.725 268 G HA2 0.263 4.218 3.960 -0.007 0.000 0.288 268 G HA3 0.263 4.218 3.960 -0.007 0.000 0.288 268 G C 0.499 175.206 174.900 -0.322 0.000 1.399 268 G CA -0.428 44.546 45.100 -0.210 0.000 0.859 268 G HN 0.840 nan 8.290 nan 0.000 0.479 269 C N -1.488 117.679 119.300 -0.221 0.000 2.505 269 C HA 0.493 4.948 4.460 -0.007 0.000 0.279 269 C C 0.791 175.647 174.990 -0.224 0.000 1.316 269 C CA -0.076 58.863 59.018 -0.131 0.000 1.720 269 C CB -1.044 26.766 27.740 0.117 0.000 2.050 269 C HN 0.368 nan 8.230 nan 0.000 0.493 270 V N 0.075 119.794 119.914 -0.324 0.000 2.841 270 V HA 0.524 4.640 4.120 -0.007 0.000 0.310 270 V C -1.511 174.329 176.094 -0.424 0.000 1.090 270 V CA -0.382 61.761 62.300 -0.260 0.000 0.930 270 V CB 1.663 33.445 31.823 -0.068 0.000 1.014 270 V HN 0.387 nan 8.190 nan 0.000 0.425 271 Y N 0.927 121.250 120.300 0.037 0.000 2.485 271 Y HA 0.717 5.262 4.550 -0.008 0.000 0.345 271 Y C 1.078 176.996 175.900 0.029 0.000 0.998 271 Y CA 0.027 58.145 58.100 0.030 0.000 1.059 271 Y CB 2.170 40.645 38.460 0.026 0.000 1.234 271 Y HN 0.881 nan 8.280 nan 0.000 0.461 272 G N 1.051 109.967 108.800 0.194 0.000 2.175 272 G HA2 -0.236 3.720 3.960 -0.007 0.000 0.244 272 G HA3 -0.236 3.720 3.960 -0.007 0.000 0.244 272 G C -0.046 174.904 174.900 0.083 0.000 0.982 272 G CA -0.268 44.907 45.100 0.124 0.000 0.641 272 G HN 0.513 nan 8.290 nan 0.000 0.527 273 Q N 1.367 121.202 119.800 0.059 0.000 2.337 273 Q HA 0.495 4.831 4.340 -0.007 0.000 0.255 273 Q C 1.163 177.181 176.000 0.031 0.000 0.997 273 Q CA 0.796 56.615 55.803 0.026 0.000 0.925 273 Q CB 0.747 29.473 28.738 -0.020 0.000 1.212 273 Q HN 0.574 nan 8.270 nan 0.000 0.436 274 T N -0.165 114.413 114.554 0.041 0.000 3.040 274 T HA 0.343 4.689 4.350 -0.007 0.000 0.266 274 T C 1.199 175.920 174.700 0.035 0.000 1.005 274 T CA 0.342 62.469 62.100 0.045 0.000 0.906 274 T CB 0.544 69.448 68.868 0.060 0.000 1.082 274 T HN 0.372 nan 8.240 nan 0.000 0.531 275 A N 1.432 124.266 122.820 0.024 0.000 1.898 275 A HA 0.453 4.768 4.320 -0.007 0.000 0.214 275 A C 1.013 178.593 177.584 -0.006 0.000 1.183 275 A CA 0.676 52.723 52.037 0.016 0.000 0.622 275 A CB -0.237 18.770 19.000 0.012 0.000 0.824 275 A HN 0.428 nan 8.150 nan 0.000 0.444 276 V N 2.346 122.246 119.914 -0.023 0.000 2.313 276 V HA 0.207 4.323 4.120 -0.007 0.000 0.278 276 V C -0.638 175.445 176.094 -0.018 0.000 1.017 276 V CA -0.797 61.484 62.300 -0.032 0.000 0.823 276 V CB 1.167 32.956 31.823 -0.056 0.000 1.010 276 V HN 0.474 nan 8.190 nan 0.000 0.443 277 Q N 2.930 122.725 119.800 -0.008 0.000 2.327 277 Q HA 0.335 4.671 4.340 -0.007 0.000 0.254 277 Q C -0.405 175.596 176.000 0.001 0.000 0.952 277 Q CA -0.669 55.136 55.803 0.004 0.000 0.884 277 Q CB 2.207 30.948 28.738 0.004 0.000 1.224 277 Q HN 0.566 nan 8.270 nan 0.000 0.422 278 L N 1.378 122.608 121.223 0.012 0.000 2.349 278 L HA 0.272 4.607 4.340 -0.007 0.000 0.275 278 L C -0.304 176.576 176.870 0.017 0.000 1.115 278 L CA 0.559 55.405 54.840 0.010 0.000 0.820 278 L CB 1.385 43.451 42.059 0.012 0.000 1.135 278 L HN 0.569 nan 8.230 nan 0.000 0.445 279 S N 4.434 120.143 115.700 0.016 0.000 2.568 279 S HA 0.851 5.317 4.470 -0.007 0.000 0.293 279 S C -1.040 173.595 174.600 0.057 0.000 1.089 279 S CA -0.764 57.455 58.200 0.032 0.000 0.945 279 S CB 1.176 64.385 63.200 0.016 0.000 1.077 279 S HN 0.760 nan 8.310 nan 0.000 0.485 280 L N 1.406 122.686 121.223 0.095 0.000 2.370 280 L HA 1.119 5.455 4.340 -0.007 0.000 0.266 280 L C -0.088 176.866 176.870 0.139 0.000 1.002 280 L CA -0.256 54.683 54.840 0.165 0.000 0.818 280 L CB 1.666 43.882 42.059 0.262 0.000 1.325 280 L HN 0.796 nan 8.230 nan 0.000 0.418 281 G N 0.951 109.830 108.800 0.131 0.000 2.600 281 G HA2 0.686 4.641 3.960 -0.007 0.000 0.293 281 G HA3 0.686 4.641 3.960 -0.007 0.000 0.293 281 G C -3.373 171.546 174.900 0.033 0.000 1.408 281 G CA -0.981 44.162 45.100 0.071 0.000 0.782 281 G HN 0.569 nan 8.290 nan 0.000 0.482 282 P HA 0.577 nan 4.420 nan 0.000 0.282 282 P C -0.965 176.323 177.300 -0.020 0.000 1.259 282 P CA -0.412 62.670 63.100 -0.030 0.000 0.826 282 P CB 1.741 33.416 31.700 -0.042 0.000 1.064 283 M N 1.228 120.810 119.600 -0.030 0.000 2.457 283 M HA 0.741 5.216 4.480 -0.007 0.000 0.300 283 M C -0.536 175.753 176.300 -0.017 0.000 1.141 283 M CA -0.362 54.929 55.300 -0.015 0.000 0.901 283 M CB 2.717 35.314 32.600 -0.006 0.000 1.687 283 M HN 0.507 nan 8.290 nan 0.000 0.449 284 A N 1.552 124.372 122.820 -0.001 0.000 2.540 284 A HA 0.577 4.892 4.320 -0.007 0.000 0.291 284 A C -0.326 177.274 177.584 0.026 0.000 1.083 284 A CA -0.747 51.291 52.037 0.003 0.000 0.650 284 A CB 1.260 20.252 19.000 -0.013 0.000 1.292 284 A HN 0.896 nan 8.150 nan 0.000 0.435 285 R N -0.344 120.177 120.500 0.035 0.000 2.153 285 R HA 0.044 4.379 4.340 -0.007 0.000 0.218 285 R C -0.506 175.822 176.300 0.046 0.000 1.072 285 R CA 1.703 57.835 56.100 0.053 0.000 0.990 285 R CB -0.046 30.291 30.300 0.062 0.000 0.889 285 R HN 0.850 nan 8.270 nan 0.000 0.452 286 D N -3.035 117.386 120.400 0.035 0.000 2.570 286 D HA 0.097 4.732 4.640 -0.007 0.000 0.244 286 D C 0.582 176.902 176.300 0.033 0.000 1.178 286 D CA -0.746 53.275 54.000 0.036 0.000 0.881 286 D CB 1.082 41.907 40.800 0.042 0.000 1.453 286 D HN -0.347 nan 8.370 nan 0.000 0.447 287 V N -0.105 119.838 119.914 0.048 0.000 2.548 287 V HA -0.126 3.989 4.120 -0.007 0.000 0.249 287 V C 2.202 178.344 176.094 0.079 0.000 1.055 287 V CA 1.873 64.212 62.300 0.065 0.000 1.065 287 V CB -0.750 31.131 31.823 0.097 0.000 0.681 287 V HN 0.707 nan 8.190 nan 0.000 0.462 288 E N 0.638 120.901 120.200 0.103 0.000 2.153 288 E HA -0.170 4.176 4.350 -0.007 0.000 0.194 288 E C 2.306 178.907 176.600 0.001 0.000 0.988 288 E CA 1.594 58.057 56.400 0.106 0.000 0.811 288 E CB -0.246 29.528 29.700 0.123 0.000 0.746 288 E HN 0.560 nan 8.360 nan 0.000 0.466 289 S N -0.075 115.621 115.700 -0.006 0.000 2.368 289 S HA -0.091 4.375 4.470 -0.007 0.000 0.224 289 S C 1.849 176.405 174.600 -0.074 0.000 1.029 289 S CA 1.072 59.249 58.200 -0.039 0.000 0.988 289 S CB -0.263 62.923 63.200 -0.023 0.000 0.838 289 S HN 0.282 nan 8.310 nan 0.000 0.462 290 L N 1.151 122.339 121.223 -0.059 0.000 2.083 290 L HA -0.121 4.214 4.340 -0.007 0.000 0.209 290 L C 2.804 179.588 176.870 -0.143 0.000 1.083 290 L CA 1.230 56.027 54.840 -0.072 0.000 0.752 290 L CB -0.819 41.222 42.059 -0.031 0.000 0.899 290 L HN 0.316 nan 8.230 nan 0.000 0.433 291 A N 0.247 122.934 122.820 -0.221 0.000 1.898 291 A HA -0.198 4.118 4.320 -0.007 0.000 0.216 291 A C 2.226 179.475 177.584 -0.559 0.000 1.181 291 A CA 1.508 53.266 52.037 -0.465 0.000 0.620 291 A CB -0.652 17.873 19.000 -0.792 0.000 0.819 291 A HN 0.313 nan 8.150 nan 0.000 0.442 292 L N -0.150 120.870 121.223 -0.338 0.000 2.012 292 L HA -0.182 4.153 4.340 -0.007 0.000 0.210 292 L C 2.562 179.272 176.870 -0.267 0.000 1.073 292 L CA 2.332 57.002 54.840 -0.284 0.000 0.748 292 L CB -1.119 40.850 42.059 -0.150 0.000 0.891 292 L HN 0.529 nan 8.230 nan 0.000 0.431 293 C N -1.018 118.161 119.300 -0.202 0.000 2.432 293 C HA -0.129 4.326 4.460 -0.007 0.000 0.277 293 C C 2.751 177.647 174.990 -0.156 0.000 1.249 293 C CA 0.964 59.892 59.018 -0.151 0.000 1.725 293 C CB -1.143 26.530 27.740 -0.110 0.000 2.028 293 C HN 0.642 nan 8.230 nan 0.000 0.477 294 L N 1.499 122.615 121.223 -0.178 0.000 2.046 294 L HA -0.095 4.241 4.340 -0.007 0.000 0.208 294 L C 2.602 179.372 176.870 -0.165 0.000 1.077 294 L CA 2.253 57.033 54.840 -0.100 0.000 0.747 294 L CB -0.889 41.177 42.059 0.011 0.000 0.896 294 L HN 0.425 nan 8.230 nan 0.000 0.432 295 K N -0.877 119.229 120.400 -0.490 0.000 2.057 295 K HA -0.181 4.135 4.320 -0.007 0.000 0.207 295 K C 1.969 178.457 176.600 -0.187 0.000 1.049 295 K CA 1.391 57.402 56.287 -0.461 0.000 0.931 295 K CB -0.203 31.852 32.500 -0.741 0.000 0.714 295 K HN 0.374 nan 8.250 nan 0.000 0.440 296 A N 0.891 123.607 122.820 -0.174 0.000 1.969 296 A HA -0.069 4.246 4.320 -0.007 0.000 0.218 296 A C 2.037 179.570 177.584 -0.085 0.000 1.169 296 A CA 1.084 53.059 52.037 -0.103 0.000 0.635 296 A CB -0.392 18.552 19.000 -0.092 0.000 0.810 296 A HN 0.326 nan 8.150 nan 0.000 0.445 297 L N -0.871 120.301 121.223 -0.086 0.000 2.179 297 L HA 0.070 4.405 4.340 -0.007 0.000 0.208 297 L C 0.651 177.438 176.870 -0.139 0.000 1.096 297 L CA 0.316 55.108 54.840 -0.079 0.000 0.779 297 L CB -0.234 41.803 42.059 -0.036 0.000 0.922 297 L HN 0.254 nan 8.230 nan 0.000 0.443 298 L N 1.564 122.735 121.223 -0.087 0.000 2.437 298 L HA 0.082 4.418 4.340 -0.007 0.000 0.243 298 L C 0.052 176.763 176.870 -0.265 0.000 1.346 298 L CA -0.612 54.165 54.840 -0.106 0.000 1.233 298 L CB -0.746 41.450 42.059 0.230 0.000 1.436 298 L HN 0.409 nan 8.230 nan 0.000 0.416 299 C N -2.787 116.175 119.300 -0.563 0.000 2.973 299 C HA 0.454 4.910 4.460 -0.007 0.000 0.329 299 C C 1.687 176.341 174.990 -0.560 0.000 1.327 299 C CA -0.844 57.951 59.018 -0.372 0.000 1.632 299 C CB 1.988 29.636 27.740 -0.153 0.000 2.098 299 C HN 0.476 nan 8.230 nan 0.000 0.469 300 E N 0.082 120.134 120.200 -0.246 0.000 2.160 300 E HA -0.187 4.158 4.350 -0.007 0.000 0.195 300 E C 1.651 178.141 176.600 -0.184 0.000 0.991 300 E CA 1.897 58.214 56.400 -0.138 0.000 0.810 300 E CB -0.467 29.160 29.700 -0.122 0.000 0.742 300 E HN 0.862 nan 8.360 nan 0.000 0.466 301 H N 0.081 119.075 119.070 -0.126 0.000 2.321 301 H HA -0.112 4.439 4.556 -0.009 0.000 0.300 301 H C 2.142 177.403 175.328 -0.111 0.000 1.087 301 H CA 1.336 57.329 56.048 -0.092 0.000 1.319 301 H CB -0.077 29.633 29.762 -0.086 0.000 1.379 301 H HN 0.049 nan 8.280 nan 0.000 0.501 302 L N 0.017 121.177 121.223 -0.104 0.000 2.017 302 L HA -0.173 4.163 4.340 -0.007 0.000 0.208 302 L C 1.488 178.344 176.870 -0.023 0.000 1.073 302 L CA 1.573 56.326 54.840 -0.145 0.000 0.745 302 L CB -0.459 41.409 42.059 -0.319 0.000 0.894 302 L HN 0.107 nan 8.230 nan 0.000 0.432 303 F N -0.223 119.757 119.950 0.049 0.000 2.234 303 F HA -0.090 4.434 4.527 -0.006 0.000 0.299 303 F C 2.659 178.474 175.800 0.024 0.000 1.087 303 F CA 1.293 59.312 58.000 0.031 0.000 1.340 303 F CB -1.940 37.068 39.000 0.013 0.000 1.031 303 F HN 0.320 nan 8.300 nan 0.000 0.500 304 T N -2.378 112.278 114.554 0.171 0.000 3.014 304 T HA 0.004 4.349 4.350 -0.007 0.000 0.263 304 T C 2.038 176.791 174.700 0.088 0.000 1.078 304 T CA 0.636 62.800 62.100 0.107 0.000 1.135 304 T CB -0.677 68.233 68.868 0.070 0.000 0.895 304 T HN 0.268 nan 8.240 nan 0.000 0.480 305 L N 0.681 121.955 121.223 0.086 0.000 2.156 305 L HA 0.166 4.502 4.340 -0.007 0.000 0.208 305 L C 0.874 177.788 176.870 0.073 0.000 1.095 305 L CA 0.980 55.861 54.840 0.068 0.000 0.770 305 L CB -0.047 42.046 42.059 0.057 0.000 0.914 305 L HN 0.276 nan 8.230 nan 0.000 0.439 306 D N -1.132 119.327 120.400 0.099 0.000 2.378 306 D HA 0.192 4.827 4.640 -0.007 0.000 0.265 306 D C -2.018 174.356 176.300 0.124 0.000 1.229 306 D CA -1.932 52.129 54.000 0.103 0.000 0.914 306 D CB 1.341 42.206 40.800 0.109 0.000 1.140 306 D HN -0.167 nan 8.370 nan 0.000 0.516 307 P HA -0.063 nan 4.420 nan 0.000 0.228 307 P C 1.282 178.617 177.300 0.058 0.000 1.151 307 P CA 0.938 64.085 63.100 0.078 0.000 0.770 307 P CB 0.102 31.832 31.700 0.049 0.000 0.786 308 T N -4.417 110.178 114.554 0.068 0.000 3.055 308 T HA 0.022 4.368 4.350 -0.007 0.000 0.265 308 T C 0.762 175.507 174.700 0.074 0.000 1.111 308 T CA 0.195 62.330 62.100 0.059 0.000 1.118 308 T CB -0.848 68.059 68.868 0.065 0.000 0.909 308 T HN -0.176 nan 8.240 nan 0.000 0.501 309 V N 4.997 124.977 119.914 0.110 0.000 2.455 309 V HA 0.291 4.406 4.120 -0.007 0.000 0.273 309 V C -1.995 174.112 176.094 0.021 0.000 1.045 309 V CA -2.179 60.204 62.300 0.140 0.000 0.976 309 V CB 0.722 32.698 31.823 0.254 0.000 0.993 309 V HN 0.355 nan 8.190 nan 0.000 0.475 310 P HA 0.122 nan 4.420 nan 0.000 0.264 310 P C -2.472 174.538 177.300 -0.483 0.000 1.193 310 P CA -1.373 61.569 63.100 -0.262 0.000 0.763 310 P CB 0.096 31.571 31.700 -0.375 0.000 0.810 311 P HA 0.168 nan 4.420 nan 0.000 0.237 311 P C -0.471 176.253 177.300 -0.960 0.000 1.788 311 P CA 0.121 62.236 63.100 -1.641 0.000 1.061 311 P CB -0.102 30.998 31.700 -1.000 0.000 1.967 312 L N 4.989 125.853 121.223 -0.598 0.000 2.270 312 L HA 0.349 4.685 4.340 -0.007 0.000 0.286 312 L C -1.682 175.256 176.870 0.114 0.000 1.059 312 L CA -2.205 52.532 54.840 -0.172 0.000 0.839 312 L CB 1.046 43.048 42.059 -0.095 0.000 1.221 312 L HN 0.087 nan 8.230 nan 0.000 0.431 313 P HA -0.036 nan 4.420 nan 0.000 0.272 313 P C -0.556 176.877 177.300 0.223 0.000 1.230 313 P CA -0.367 62.893 63.100 0.267 0.000 0.788 313 P CB 0.647 32.462 31.700 0.192 0.000 0.949 314 F N 2.309 122.328 119.950 0.115 0.000 2.533 314 F HA 0.133 4.656 4.527 -0.006 0.000 0.378 314 F C 0.920 176.763 175.800 0.072 0.000 1.070 314 F CA -0.144 57.903 58.000 0.078 0.000 1.172 314 F CB 0.294 39.319 39.000 0.043 0.000 1.085 314 F HN 0.144 nan 8.300 nan 0.000 0.552 315 R N 5.215 125.515 120.500 -0.333 0.000 2.419 315 R HA 0.048 4.383 4.340 -0.007 0.000 0.305 315 R C 1.180 177.351 176.300 -0.215 0.000 1.242 315 R CA -0.158 55.831 56.100 -0.186 0.000 1.105 315 R CB 0.405 30.619 30.300 -0.144 0.000 1.116 315 R HN 0.717 nan 8.270 nan 0.000 0.523 316 E N 2.782 123.025 120.200 0.072 0.000 2.097 316 E HA -0.278 4.068 4.350 -0.007 0.000 0.196 316 E C 1.595 178.301 176.600 0.176 0.000 1.000 316 E CA 1.968 58.533 56.400 0.276 0.000 0.804 316 E CB 0.251 30.136 29.700 0.309 0.000 0.740 316 E HN 0.574 nan 8.360 nan 0.000 0.454 317 E N 0.394 120.647 120.200 0.088 0.000 2.153 317 E HA -0.149 4.196 4.350 -0.007 0.000 0.194 317 E C 2.143 178.761 176.600 0.030 0.000 0.988 317 E CA 1.414 57.846 56.400 0.053 0.000 0.811 317 E CB -0.611 29.108 29.700 0.033 0.000 0.746 317 E HN 0.313 nan 8.360 nan 0.000 0.466 318 V N 0.657 120.576 119.914 0.009 0.000 2.379 318 V HA -0.221 3.895 4.120 -0.007 0.000 0.245 318 V C 2.331 178.454 176.094 0.047 0.000 1.044 318 V CA 1.706 64.008 62.300 0.002 0.000 1.036 318 V CB -0.908 30.892 31.823 -0.039 0.000 0.664 318 V HN 0.236 nan 8.190 nan 0.000 0.453 319 Y N 1.561 121.826 120.300 -0.058 0.000 2.224 319 Y HA -0.138 4.407 4.550 -0.008 0.000 0.289 319 Y C 2.466 178.411 175.900 0.076 0.000 1.146 319 Y CA 1.514 59.631 58.100 0.028 0.000 1.182 319 Y CB -0.097 38.442 38.460 0.133 0.000 0.983 319 Y HN 0.054 nan 8.280 nan 0.000 0.524 320 R N 0.373 120.814 120.500 -0.098 0.000 2.297 320 R HA 0.069 4.405 4.340 -0.007 0.000 0.197 320 R C 1.023 177.260 176.300 -0.104 0.000 0.943 320 R CA 0.489 56.484 56.100 -0.174 0.000 1.038 320 R CB -0.673 29.614 30.300 -0.022 0.000 0.957 320 R HN 0.207 nan 8.270 nan 0.000 0.484 321 S N 1.244 116.908 115.700 -0.059 0.000 2.558 321 S HA -0.010 4.455 4.470 -0.007 0.000 0.287 321 S C 0.935 175.519 174.600 -0.026 0.000 1.321 321 S CA 0.208 58.393 58.200 -0.026 0.000 1.048 321 S CB 0.532 63.728 63.200 -0.005 0.000 0.844 321 S HN 0.392 nan 8.310 nan 0.000 0.512 322 S N 4.002 119.697 115.700 -0.008 0.000 2.941 322 S HA 0.352 4.818 4.470 -0.007 0.000 0.251 322 S C -0.024 174.585 174.600 0.015 0.000 1.029 322 S CA -0.841 57.364 58.200 0.009 0.000 1.062 322 S CB 0.156 63.354 63.200 -0.003 0.000 0.977 322 S HN 0.660 nan 8.310 nan 0.000 0.552 323 R N 2.614 123.123 120.500 0.015 0.000 2.582 323 R HA 0.415 4.750 4.340 -0.007 0.000 0.271 323 R C -2.596 173.714 176.300 0.016 0.000 1.078 323 R CA -1.772 54.328 56.100 0.001 0.000 1.127 323 R CB -0.499 29.800 30.300 -0.001 0.000 1.038 323 R HN 0.278 nan 8.270 nan 0.000 0.500 324 P HA 0.054 nan 4.420 nan 0.000 0.267 324 P C -0.476 176.864 177.300 0.068 0.000 1.200 324 P CA 0.262 63.319 63.100 -0.071 0.000 0.772 324 P CB 0.564 32.181 31.700 -0.139 0.000 0.855 325 L N 2.830 124.200 121.223 0.246 0.000 2.346 325 L HA 0.451 4.787 4.340 -0.007 0.000 0.274 325 L C 0.964 177.842 176.870 0.014 0.000 1.007 325 L CA -0.895 53.998 54.840 0.089 0.000 0.818 325 L CB 1.824 43.873 42.059 -0.015 0.000 1.284 325 L HN 0.214 nan 8.230 nan 0.000 0.424 326 R N 2.130 122.584 120.500 -0.078 0.000 2.210 326 R HA 0.388 4.724 4.340 -0.007 0.000 0.338 326 R C -1.104 175.058 176.300 -0.230 0.000 1.062 326 R CA -0.405 55.625 56.100 -0.116 0.000 0.902 326 R CB 0.985 31.213 30.300 -0.119 0.000 1.050 326 R HN 0.271 nan 8.270 nan 0.000 0.461 327 V N 3.225 123.020 119.914 -0.198 0.000 2.313 327 V HA 0.301 4.416 4.120 -0.007 0.000 0.278 327 V C 0.843 176.858 176.094 -0.132 0.000 1.017 327 V CA -0.859 61.274 62.300 -0.278 0.000 0.823 327 V CB 1.463 33.139 31.823 -0.244 0.000 1.010 327 V HN 0.916 nan 8.190 nan 0.000 0.443 328 G N 4.200 112.836 108.800 -0.274 0.000 2.544 328 G HA2 0.445 4.400 3.960 -0.007 0.000 0.242 328 G HA3 0.445 4.400 3.960 -0.007 0.000 0.242 328 G C -0.889 174.093 174.900 0.136 0.000 1.247 328 G CA 0.045 45.063 45.100 -0.137 0.000 0.840 328 G HN 0.971 nan 8.290 nan 0.000 0.578 329 Y N -0.277 120.098 120.300 0.126 0.000 2.581 329 Y HA 0.668 5.214 4.550 -0.008 0.000 0.337 329 Y C -1.443 174.624 175.900 0.278 0.000 1.108 329 Y CA -2.164 56.011 58.100 0.126 0.000 1.033 329 Y CB 1.258 39.754 38.460 0.059 0.000 1.318 329 Y HN 0.827 nan 8.280 nan 0.000 0.459 330 Y N -0.498 119.943 120.300 0.235 0.000 2.524 330 Y HA 0.620 5.166 4.550 -0.007 0.000 0.347 330 Y C 0.017 176.083 175.900 0.276 0.000 1.005 330 Y CA -1.395 56.807 58.100 0.171 0.000 1.025 330 Y CB 1.929 40.473 38.460 0.139 0.000 1.275 330 Y HN 0.746 nan 8.280 nan 0.000 0.460 331 E N 0.667 121.106 120.200 0.398 0.000 2.371 331 E HA 0.068 4.413 4.350 -0.007 0.000 0.194 331 E C -0.078 176.737 176.600 0.357 0.000 1.012 331 E CA 1.038 57.617 56.400 0.300 0.000 0.860 331 E CB 0.520 30.370 29.700 0.251 0.000 0.811 331 E HN 0.647 nan 8.360 nan 0.000 0.502 332 T N 0.210 115.079 114.554 0.524 0.000 2.957 332 T HA 0.053 4.398 4.350 -0.007 0.000 0.336 332 T C -1.314 173.711 174.700 0.542 0.000 1.462 332 T CA -0.730 61.726 62.100 0.592 0.000 1.073 332 T CB 1.423 70.555 68.868 0.441 0.000 1.319 332 T HN 0.013 nan 8.240 nan 0.000 0.485 333 D N 2.201 122.879 120.400 0.462 0.000 2.328 333 D HA 0.136 4.771 4.640 -0.007 0.000 0.221 333 D C 0.672 176.967 176.300 -0.009 0.000 1.072 333 D CA -0.034 53.992 54.000 0.043 0.000 0.850 333 D CB -0.748 39.962 40.800 -0.150 0.000 0.922 333 D HN 0.805 nan 8.370 nan 0.000 0.516 334 N N -1.796 116.903 118.700 -0.003 0.000 2.713 334 N HA -0.323 4.412 4.740 -0.007 0.000 0.251 334 N C -0.297 175.094 175.510 -0.198 0.000 1.117 334 N CA 0.973 53.797 53.050 -0.377 0.000 0.770 334 N CB -1.258 37.027 38.487 -0.337 0.000 1.137 334 N HN 0.390 nan 8.380 nan 0.000 0.566 335 Y N -0.517 119.824 120.300 0.068 0.000 2.697 335 Y HA 0.233 4.778 4.550 -0.007 0.000 0.268 335 Y C 0.498 176.708 175.900 0.517 0.000 1.092 335 Y CA 0.675 58.955 58.100 0.300 0.000 1.304 335 Y CB 0.995 39.520 38.460 0.108 0.000 1.446 335 Y HN -0.093 nan 8.280 nan 0.000 0.491 336 T N 3.014 117.879 114.554 0.517 0.000 2.770 336 T HA 0.271 4.616 4.350 -0.007 0.000 0.297 336 T C -0.504 174.511 174.700 0.524 0.000 0.997 336 T CA -0.502 61.886 62.100 0.480 0.000 0.949 336 T CB 0.651 69.791 68.868 0.454 0.000 0.941 336 T HN 0.221 nan 8.240 nan 0.000 0.457 337 M N 6.978 126.664 119.600 0.144 0.000 2.269 337 M HA 0.175 4.650 4.480 -0.007 0.000 0.350 337 M C -2.077 174.386 176.300 0.271 0.000 1.429 337 M CA -1.050 54.138 55.300 -0.187 0.000 1.063 337 M CB 0.580 32.587 32.600 -0.988 0.000 1.841 337 M HN 0.214 nan 8.290 nan 0.000 0.455 338 P HA 0.103 nan 4.420 nan 0.000 0.274 338 P C -1.010 176.466 177.300 0.293 0.000 1.231 338 P CA -0.343 62.917 63.100 0.267 0.000 0.790 338 P CB 0.575 32.376 31.700 0.168 0.000 0.951 339 S N 2.236 118.065 115.700 0.214 0.000 2.579 339 S HA 0.138 4.604 4.470 -0.007 0.000 0.275 339 S C -1.560 173.103 174.600 0.105 0.000 1.345 339 S CA -0.745 57.547 58.200 0.154 0.000 1.031 339 S CB -0.376 62.831 63.200 0.011 0.000 0.892 339 S HN 0.276 nan 8.310 nan 0.000 0.529 340 P HA -0.201 nan 4.420 nan 0.000 0.218 340 P C 1.626 178.940 177.300 0.023 0.000 1.154 340 P CA 2.297 65.430 63.100 0.055 0.000 0.872 340 P CB -0.344 31.382 31.700 0.044 0.000 0.790 341 A N -1.185 121.636 122.820 0.002 0.000 1.908 341 A HA -0.219 4.097 4.320 -0.007 0.000 0.218 341 A C 2.273 179.841 177.584 -0.026 0.000 1.181 341 A CA 2.245 54.268 52.037 -0.023 0.000 0.627 341 A CB -1.472 17.499 19.000 -0.049 0.000 0.818 341 A HN 0.120 nan 8.150 nan 0.000 0.445 342 M N -1.505 118.083 119.600 -0.021 0.000 2.080 342 M HA -0.177 4.299 4.480 -0.007 0.000 0.260 342 M C 2.440 178.725 176.300 -0.025 0.000 1.068 342 M CA 2.000 57.276 55.300 -0.041 0.000 1.109 342 M CB -0.308 32.259 32.600 -0.055 0.000 1.342 342 M HN 0.448 nan 8.290 nan 0.000 0.405 343 R N 0.064 120.572 120.500 0.014 0.000 2.073 343 R HA -0.164 4.171 4.340 -0.007 0.000 0.234 343 R C 2.347 178.657 176.300 0.017 0.000 1.134 343 R CA 1.730 57.851 56.100 0.035 0.000 0.952 343 R CB -0.199 30.138 30.300 0.061 0.000 0.850 343 R HN 0.269 nan 8.270 nan 0.000 0.433 344 R N -0.107 120.396 120.500 0.006 0.000 2.081 344 R HA -0.110 4.225 4.340 -0.007 0.000 0.235 344 R C 2.116 178.404 176.300 -0.020 0.000 1.131 344 R CA 1.440 57.538 56.100 -0.004 0.000 0.960 344 R CB -0.261 30.036 30.300 -0.006 0.000 0.856 344 R HN 0.291 nan 8.270 nan 0.000 0.436 345 A N 1.674 124.476 122.820 -0.031 0.000 1.865 345 A HA -0.194 4.121 4.320 -0.007 0.000 0.217 345 A C 2.123 179.677 177.584 -0.050 0.000 1.191 345 A CA 1.358 53.367 52.037 -0.046 0.000 0.623 345 A CB -0.814 18.150 19.000 -0.059 0.000 0.826 345 A HN 0.407 nan 8.150 nan 0.000 0.444 346 L N -0.060 121.137 121.223 -0.043 0.000 2.017 346 L HA -0.134 4.201 4.340 -0.007 0.000 0.208 346 L C 2.346 179.189 176.870 -0.044 0.000 1.073 346 L CA 2.105 56.921 54.840 -0.040 0.000 0.745 346 L CB -0.870 41.181 42.059 -0.013 0.000 0.894 346 L HN 0.484 nan 8.230 nan 0.000 0.432 347 I N -0.010 120.545 120.570 -0.025 0.000 2.252 347 I HA -0.296 3.870 4.170 -0.007 0.000 0.245 347 I C 2.449 178.530 176.117 -0.060 0.000 1.102 347 I CA 1.168 62.444 61.300 -0.040 0.000 1.385 347 I CB -0.174 37.824 38.000 -0.004 0.000 1.064 347 I HN 0.333 nan 8.210 nan 0.000 0.414 348 E N 0.194 120.368 120.200 -0.044 0.000 2.106 348 E HA -0.152 4.194 4.350 -0.007 0.000 0.192 348 E C 2.137 178.706 176.600 -0.052 0.000 0.984 348 E CA 1.650 58.025 56.400 -0.042 0.000 0.806 348 E CB -0.066 29.615 29.700 -0.031 0.000 0.750 348 E HN 0.452 nan 8.360 nan 0.000 0.458 349 T N 1.544 116.060 114.554 -0.063 0.000 2.708 349 T HA -0.171 4.175 4.350 -0.007 0.000 0.266 349 T C 1.785 176.438 174.700 -0.078 0.000 1.037 349 T CA 1.085 63.143 62.100 -0.071 0.000 1.146 349 T CB -0.102 68.715 68.868 -0.086 0.000 0.865 349 T HN 0.056 nan 8.240 nan 0.000 0.435 350 K N 1.294 121.620 120.400 -0.123 0.000 2.020 350 K HA -0.217 4.098 4.320 -0.007 0.000 0.212 350 K C 2.232 178.745 176.600 -0.144 0.000 1.050 350 K CA 1.756 57.917 56.287 -0.209 0.000 0.929 350 K CB -0.310 31.933 32.500 -0.428 0.000 0.714 350 K HN 0.443 nan 8.250 nan 0.000 0.443 351 Q N -0.175 119.561 119.800 -0.107 0.000 2.084 351 Q HA -0.097 4.238 4.340 -0.007 0.000 0.202 351 Q C 2.394 178.378 176.000 -0.027 0.000 0.978 351 Q CA 1.423 57.189 55.803 -0.062 0.000 0.844 351 Q CB -0.060 28.651 28.738 -0.046 0.000 0.898 351 Q HN 0.304 nan 8.270 nan 0.000 0.426 352 R N 0.233 120.720 120.500 -0.021 0.000 2.092 352 R HA -0.061 4.274 4.340 -0.007 0.000 0.231 352 R C 2.294 178.619 176.300 0.041 0.000 1.119 352 R CA 0.848 56.950 56.100 0.004 0.000 0.970 352 R CB -0.245 30.052 30.300 -0.004 0.000 0.864 352 R HN 0.258 nan 8.270 nan 0.000 0.440 353 L N 0.604 121.852 121.223 0.042 0.000 2.046 353 L HA -0.176 4.160 4.340 -0.007 0.000 0.208 353 L C 2.293 179.274 176.870 0.186 0.000 1.077 353 L CA 1.403 56.321 54.840 0.129 0.000 0.747 353 L CB -0.346 41.740 42.059 0.045 0.000 0.896 353 L HN 0.223 nan 8.230 nan 0.000 0.432 354 E N -0.005 120.236 120.200 0.069 0.000 2.085 354 E HA -0.246 4.100 4.350 -0.007 0.000 0.194 354 E C 2.268 178.889 176.600 0.035 0.000 0.994 354 E CA 1.211 57.638 56.400 0.044 0.000 0.801 354 E CB -0.139 29.560 29.700 -0.001 0.000 0.743 354 E HN 0.505 nan 8.360 nan 0.000 0.453 355 A N 0.927 123.765 122.820 0.030 0.000 2.019 355 A HA -0.047 4.268 4.320 -0.007 0.000 0.219 355 A C 2.198 179.790 177.584 0.014 0.000 1.164 355 A CA 1.438 53.485 52.037 0.016 0.000 0.644 355 A CB -0.296 18.711 19.000 0.013 0.000 0.805 355 A HN 0.279 nan 8.150 nan 0.000 0.449 356 A N -2.045 120.802 122.820 0.044 0.000 2.238 356 A HA 0.416 4.731 4.320 -0.007 0.000 0.208 356 A C 1.718 179.224 177.584 -0.130 0.000 1.177 356 A CA 1.244 53.288 52.037 0.013 0.000 0.804 356 A CB -0.677 18.399 19.000 0.127 0.000 0.823 356 A HN 1.787 nan 8.150 nan 0.000 0.482 357 G N -1.592 107.136 108.800 -0.120 0.000 2.179 357 G HA2 -0.190 3.765 3.960 -0.007 0.000 0.220 357 G HA3 -0.190 3.765 3.960 -0.007 0.000 0.220 357 G C -0.014 174.735 174.900 -0.251 0.000 0.990 357 G CA 0.156 45.145 45.100 -0.185 0.000 0.646 357 G HN 0.721 nan 8.290 nan 0.000 0.517 358 H N 0.876 119.941 119.070 -0.009 0.000 2.615 358 H HA 0.560 5.111 4.556 -0.008 0.000 0.363 358 H C 0.415 175.730 175.328 -0.021 0.000 1.148 358 H CA 0.944 56.980 56.048 -0.019 0.000 1.401 358 H CB 0.879 30.634 29.762 -0.011 0.000 1.461 358 H HN 0.102 nan 8.280 nan 0.000 0.588 359 T N 3.997 118.603 114.554 0.087 0.000 2.767 359 T HA 0.248 4.593 4.350 -0.007 0.000 0.288 359 T C -0.243 174.490 174.700 0.054 0.000 0.963 359 T CA -0.760 61.368 62.100 0.046 0.000 1.019 359 T CB 0.388 69.266 68.868 0.016 0.000 0.923 359 T HN 0.154 nan 8.240 nan 0.000 0.468 360 L N 4.717 125.987 121.223 0.079 0.000 2.287 360 L HA 0.562 4.898 4.340 -0.007 0.000 0.287 360 L C -0.328 176.711 176.870 0.281 0.000 1.022 360 L CA -0.415 54.517 54.840 0.152 0.000 0.814 360 L CB 1.140 43.208 42.059 0.015 0.000 1.217 360 L HN 0.666 nan 8.230 nan 0.000 0.420 361 I N 5.623 126.367 120.570 0.289 0.000 2.410 361 I HA 0.311 4.477 4.170 -0.007 0.000 0.286 361 I C -2.216 173.891 176.117 -0.016 0.000 1.009 361 I CA -1.854 59.526 61.300 0.134 0.000 1.111 361 I CB 2.249 40.262 38.000 0.022 0.000 1.262 361 I HN 0.329 nan 8.210 nan 0.000 0.443 362 P HA 0.107 nan 4.420 nan 0.000 0.264 362 P C -1.062 176.186 177.300 -0.088 0.000 1.193 362 P CA 0.273 63.103 63.100 -0.449 0.000 0.763 362 P CB 0.207 31.739 31.700 -0.280 0.000 0.810 363 F N 4.562 124.376 119.950 -0.227 0.000 2.670 363 F HA 0.467 4.989 4.527 -0.007 0.000 0.332 363 F C -2.091 173.720 175.800 0.018 0.000 1.179 363 F CA -0.873 57.078 58.000 -0.083 0.000 1.076 363 F CB 1.112 40.062 39.000 -0.084 0.000 1.322 363 F HN 0.062 nan 8.300 nan 0.000 0.515 364 L N 8.698 129.598 121.223 -0.538 0.000 2.376 364 L HA 0.733 5.068 4.340 -0.007 0.000 0.275 364 L C -2.576 173.915 176.870 -0.631 0.000 0.987 364 L CA -2.119 52.416 54.840 -0.509 0.000 0.828 364 L CB 1.654 43.462 42.059 -0.417 0.000 1.249 364 L HN 0.313 nan 8.230 nan 0.000 0.409 365 P HA 0.106 nan 4.420 nan 0.000 0.264 365 P C -1.199 176.003 177.300 -0.164 0.000 1.183 365 P CA 0.082 63.064 63.100 -0.195 0.000 0.763 365 P CB 0.140 31.860 31.700 0.034 0.000 0.807 366 N N 1.852 120.490 118.700 -0.104 0.000 2.453 366 N HA 0.013 4.748 4.740 -0.007 0.000 0.253 366 N C 0.052 175.640 175.510 0.130 0.000 1.252 366 N CA -0.366 52.669 53.050 -0.025 0.000 0.917 366 N CB -0.222 38.259 38.487 -0.010 0.000 1.117 366 N HN 0.255 nan 8.380 nan 0.000 0.442 367 N N 0.061 118.806 118.700 0.076 0.000 2.725 367 N HA -0.195 4.540 4.740 -0.007 0.000 0.251 367 N C 0.298 175.844 175.510 0.060 0.000 1.031 367 N CA 0.610 53.721 53.050 0.101 0.000 0.720 367 N CB -0.892 37.694 38.487 0.166 0.000 0.930 367 N HN 0.658 nan 8.380 nan 0.000 0.543 368 I N 0.419 120.982 120.570 -0.012 0.000 2.194 368 I HA -0.220 3.946 4.170 -0.007 0.000 0.246 368 I C -0.527 175.484 176.117 -0.176 0.000 1.093 368 I CA 1.537 62.765 61.300 -0.120 0.000 1.355 368 I CB -0.969 36.935 38.000 -0.161 0.000 1.046 368 I HN 0.178 nan 8.210 nan 0.000 0.413 369 P HA -0.237 nan 4.420 nan 0.000 0.216 369 P C 1.594 178.888 177.300 -0.010 0.000 1.153 369 P CA 1.531 64.633 63.100 0.004 0.000 0.858 369 P CB -0.166 31.633 31.700 0.164 0.000 0.789 370 Y N 0.785 120.995 120.300 -0.150 0.000 2.145 370 Y HA -0.178 4.367 4.550 -0.007 0.000 0.286 370 Y C 2.316 178.031 175.900 -0.309 0.000 1.145 370 Y CA 1.539 59.524 58.100 -0.192 0.000 1.148 370 Y CB -1.194 37.149 38.460 -0.196 0.000 0.981 370 Y HN -0.125 nan 8.280 nan 0.000 0.507 371 A N 0.333 122.821 122.820 -0.553 0.000 1.940 371 A HA -0.142 4.174 4.320 -0.007 0.000 0.219 371 A C 2.315 179.626 177.584 -0.455 0.000 1.176 371 A CA 1.965 53.546 52.037 -0.761 0.000 0.631 371 A CB -1.033 17.496 19.000 -0.785 0.000 0.814 371 A HN 0.566 nan 8.150 nan 0.000 0.446 372 L N -1.392 119.617 121.223 -0.357 0.000 2.084 372 L HA -0.084 4.252 4.340 -0.007 0.000 0.202 372 L C 2.595 179.383 176.870 -0.137 0.000 1.074 372 L CA 1.418 56.089 54.840 -0.281 0.000 0.757 372 L CB -0.586 41.206 42.059 -0.446 0.000 0.918 372 L HN 0.401 nan 8.230 nan 0.000 0.444 373 E N -0.459 119.689 120.200 -0.086 0.000 2.112 373 E HA -0.103 4.242 4.350 -0.007 0.000 0.190 373 E C 2.139 178.758 176.600 0.032 0.000 0.979 373 E CA 0.907 57.342 56.400 0.059 0.000 0.814 373 E CB 0.223 29.991 29.700 0.114 0.000 0.762 373 E HN 0.234 nan 8.360 nan 0.000 0.460 374 V N 0.957 120.833 119.914 -0.064 0.000 2.436 374 V HA -0.091 4.025 4.120 -0.007 0.000 0.240 374 V C 2.178 178.167 176.094 -0.175 0.000 1.040 374 V CA 0.820 63.072 62.300 -0.080 0.000 1.052 374 V CB -0.305 31.509 31.823 -0.015 0.000 0.707 374 V HN 0.175 nan 8.190 nan 0.000 0.469 375 L N -0.174 120.827 121.223 -0.370 0.000 2.044 375 L HA -0.074 4.262 4.340 -0.007 0.000 0.205 375 L C 2.619 179.372 176.870 -0.196 0.000 1.075 375 L CA 1.527 56.161 54.840 -0.344 0.000 0.747 375 L CB -0.628 41.098 42.059 -0.555 0.000 0.903 375 L HN 0.283 nan 8.230 nan 0.000 0.435 376 S N -0.638 114.953 115.700 -0.181 0.000 2.345 376 S HA -0.138 4.327 4.470 -0.007 0.000 0.219 376 S C 2.026 176.611 174.600 -0.024 0.000 1.031 376 S CA 1.729 59.866 58.200 -0.105 0.000 0.984 376 S CB -0.250 62.886 63.200 -0.106 0.000 0.874 376 S HN 0.387 nan 8.310 nan 0.000 0.451 377 T N 1.661 116.249 114.554 0.057 0.000 2.684 377 T HA -0.082 4.263 4.350 -0.007 0.000 0.267 377 T C 2.025 176.801 174.700 0.128 0.000 1.036 377 T CA 1.449 63.667 62.100 0.197 0.000 1.148 377 T CB -0.926 68.090 68.868 0.247 0.000 0.863 377 T HN 0.537 nan 8.240 nan 0.000 0.436 378 G N 0.683 109.509 108.800 0.042 0.000 2.422 378 G HA2 -0.020 3.935 3.960 -0.007 0.000 0.218 378 G HA3 -0.020 3.935 3.960 -0.007 0.000 0.218 378 G C 1.674 176.568 174.900 -0.011 0.000 1.146 378 G CA 0.949 46.062 45.100 0.021 0.000 0.769 378 G HN 0.576 nan 8.290 nan 0.000 0.547 379 G N 0.705 109.476 108.800 -0.049 0.000 2.394 379 G HA2 -0.055 3.900 3.960 -0.007 0.000 0.215 379 G HA3 -0.055 3.900 3.960 -0.007 0.000 0.215 379 G C 1.775 176.596 174.900 -0.131 0.000 1.165 379 G CA 0.498 45.558 45.100 -0.068 0.000 0.784 379 G HN 0.408 nan 8.290 nan 0.000 0.535 380 L N -0.958 120.127 121.223 -0.230 0.000 2.109 380 L HA 0.161 4.497 4.340 -0.007 0.000 0.207 380 L C 0.989 177.386 176.870 -0.788 0.000 1.086 380 L CA 0.615 55.135 54.840 -0.533 0.000 0.760 380 L CB -0.055 41.578 42.059 -0.711 0.000 0.910 380 L HN 0.126 nan 8.230 nan 0.000 0.437 381 F N -1.586 118.307 119.950 -0.095 0.000 2.879 381 F HA 0.221 4.744 4.527 -0.007 0.000 0.354 381 F C 1.641 177.392 175.800 -0.081 0.000 1.291 381 F CA -0.349 57.576 58.000 -0.125 0.000 1.238 381 F CB -0.157 38.739 39.000 -0.173 0.000 1.005 381 F HN -0.183 nan 8.300 nan 0.000 0.508 382 S N -0.113 115.608 115.700 0.036 0.000 2.419 382 S HA -0.177 4.289 4.470 -0.007 0.000 0.233 382 S C 1.537 176.158 174.600 0.034 0.000 1.016 382 S CA 1.570 59.788 58.200 0.030 0.000 0.974 382 S CB -0.213 62.994 63.200 0.012 0.000 0.786 382 S HN 0.599 nan 8.310 nan 0.000 0.492 383 D N 0.048 120.475 120.400 0.045 0.000 2.395 383 D HA 0.249 4.884 4.640 -0.007 0.000 0.226 383 D C 1.129 177.458 176.300 0.048 0.000 1.146 383 D CA 0.427 54.452 54.000 0.041 0.000 0.830 383 D CB -0.536 40.289 40.800 0.042 0.000 0.958 383 D HN 0.323 nan 8.370 nan 0.000 0.501 384 G N -0.117 108.715 108.800 0.052 0.000 2.189 384 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.267 384 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.267 384 G C 1.183 176.090 174.900 0.011 0.000 0.975 384 G CA 0.426 45.533 45.100 0.010 0.000 0.644 384 G HN 1.436 nan 8.290 nan 0.000 0.537 385 G N -1.069 107.807 108.800 0.127 0.000 2.157 385 G HA2 -0.305 3.651 3.960 -0.007 0.000 0.248 385 G HA3 -0.305 3.651 3.960 -0.007 0.000 0.248 385 G C 0.985 175.996 174.900 0.184 0.000 0.979 385 G CA 1.204 46.425 45.100 0.201 0.000 0.650 385 G HN 0.929 nan 8.290 nan 0.000 0.529 386 R N 0.489 121.055 120.500 0.109 0.000 2.075 386 R HA -0.010 4.325 4.340 -0.007 0.000 0.232 386 R C 2.722 179.078 176.300 0.094 0.000 1.126 386 R CA 2.001 58.149 56.100 0.080 0.000 0.963 386 R CB -0.296 30.031 30.300 0.046 0.000 0.858 386 R HN 0.438 nan 8.270 nan 0.000 0.435 387 S N 0.530 116.294 115.700 0.106 0.000 2.355 387 S HA -0.162 4.304 4.470 -0.007 0.000 0.222 387 S C 1.477 176.148 174.600 0.119 0.000 1.031 387 S CA 1.274 59.529 58.200 0.093 0.000 0.993 387 S CB -0.453 62.795 63.200 0.081 0.000 0.859 387 S HN 0.367 nan 8.310 nan 0.000 0.453 388 F N 2.565 122.526 119.950 0.019 0.000 2.091 388 F HA -0.136 4.386 4.527 -0.008 0.000 0.299 388 F C 1.803 177.695 175.800 0.154 0.000 1.103 388 F CA 1.336 59.364 58.000 0.046 0.000 1.228 388 F CB -0.450 38.557 39.000 0.012 0.000 0.984 388 F HN 0.090 nan 8.300 nan 0.000 0.477 389 L N -0.100 121.174 121.223 0.084 0.000 2.191 389 L HA -0.209 4.127 4.340 -0.007 0.000 0.212 389 L C 2.469 179.371 176.870 0.052 0.000 1.103 389 L CA 0.696 55.553 54.840 0.027 0.000 0.769 389 L CB -0.710 41.372 42.059 0.039 0.000 0.908 389 L HN 0.196 nan 8.230 nan 0.000 0.438 390 Q N -0.154 119.658 119.800 0.020 0.000 2.170 390 Q HA -0.145 4.191 4.340 -0.007 0.000 0.203 390 Q C 1.882 177.859 176.000 -0.038 0.000 0.976 390 Q CA 1.005 56.809 55.803 0.002 0.000 0.858 390 Q CB -0.579 28.162 28.738 0.004 0.000 0.907 390 Q HN 0.543 nan 8.270 nan 0.000 0.433 391 N N -0.071 118.565 118.700 -0.107 0.000 2.272 391 N HA -0.129 4.606 4.740 -0.007 0.000 0.185 391 N C 1.099 176.397 175.510 -0.353 0.000 1.014 391 N CA 0.935 53.830 53.050 -0.258 0.000 0.870 391 N CB -0.184 38.044 38.487 -0.432 0.000 0.975 391 N HN 0.288 nan 8.380 nan 0.000 0.433 392 F N 0.935 120.770 119.950 -0.191 0.000 2.765 392 F HA 0.145 4.667 4.527 -0.007 0.000 0.302 392 F C 1.036 176.767 175.800 -0.115 0.000 1.111 392 F CA -0.409 57.501 58.000 -0.150 0.000 1.359 392 F CB 0.087 38.987 39.000 -0.167 0.000 1.097 392 F HN -0.227 nan 8.300 nan 0.000 0.577 393 K N 0.933 121.354 120.400 0.036 0.000 2.466 393 K HA 0.196 4.512 4.320 -0.007 0.000 0.278 393 K C 1.236 177.813 176.600 -0.037 0.000 1.048 393 K CA 1.055 57.339 56.287 -0.004 0.000 1.088 393 K CB -0.126 32.364 32.500 -0.017 0.000 0.884 393 K HN 0.379 nan 8.250 nan 0.000 0.478 394 G N 2.712 111.480 108.800 -0.054 0.000 2.155 394 G HA2 -0.255 3.701 3.960 -0.007 0.000 0.257 394 G HA3 -0.255 3.701 3.960 -0.007 0.000 0.257 394 G C -0.277 174.535 174.900 -0.147 0.000 0.983 394 G CA 0.374 45.415 45.100 -0.098 0.000 0.676 394 G HN 0.753 nan 8.290 nan 0.000 0.528 395 D N -0.922 119.414 120.400 -0.107 0.000 2.299 395 D HA 0.655 5.291 4.640 -0.007 0.000 0.243 395 D C 0.514 176.749 176.300 -0.109 0.000 0.982 395 D CA -0.866 53.075 54.000 -0.100 0.000 0.924 395 D CB 0.698 41.485 40.800 -0.021 0.000 1.238 395 D HN -0.048 nan 8.370 nan 0.000 0.484 396 F N 0.130 120.108 119.950 0.047 0.000 2.450 396 F HA 0.219 4.742 4.527 -0.008 0.000 0.339 396 F C 0.712 176.590 175.800 0.131 0.000 1.146 396 F CA -0.271 57.764 58.000 0.060 0.000 1.267 396 F CB 0.719 39.736 39.000 0.029 0.000 1.178 396 F HN -0.088 nan 8.300 nan 0.000 0.585 397 V N 2.450 122.550 119.914 0.310 0.000 2.334 397 V HA 0.091 4.207 4.120 -0.007 0.000 0.281 397 V C -0.032 176.177 176.094 0.192 0.000 1.016 397 V CA -1.011 61.433 62.300 0.241 0.000 0.832 397 V CB 1.042 32.908 31.823 0.072 0.000 0.999 397 V HN 0.662 nan 8.190 nan 0.000 0.439 398 D N 6.503 127.022 120.400 0.198 0.000 2.472 398 D HA 0.061 4.697 4.640 -0.007 0.000 0.237 398 D C -1.605 174.745 176.300 0.084 0.000 1.141 398 D CA -1.006 53.066 54.000 0.119 0.000 0.875 398 D CB 2.158 43.029 40.800 0.118 0.000 1.192 398 D HN 0.247 nan 8.370 nan 0.000 0.450 399 P HA -0.049 nan 4.420 nan 0.000 0.226 399 P C 1.413 178.721 177.300 0.014 0.000 1.153 399 P CA 0.559 63.675 63.100 0.026 0.000 0.777 399 P CB -0.100 31.606 31.700 0.010 0.000 0.794 400 C N -2.656 116.654 119.300 0.017 0.000 2.491 400 C HA 0.119 4.575 4.460 -0.007 0.000 0.277 400 C C 2.119 177.107 174.990 -0.003 0.000 1.455 400 C CA -0.108 58.903 59.018 -0.011 0.000 1.758 400 C CB -2.152 25.580 27.740 -0.013 0.000 1.745 400 C HN 0.091 nan 8.230 nan 0.000 0.558 401 L N 1.343 122.596 121.223 0.049 0.000 2.554 401 L HA 0.293 4.629 4.340 -0.007 0.000 0.226 401 L C 2.122 179.016 176.870 0.039 0.000 1.137 401 L CA 0.704 55.591 54.840 0.077 0.000 0.863 401 L CB -0.906 41.232 42.059 0.132 0.000 0.985 401 L HN 0.703 nan 8.230 nan 0.000 0.451 402 G N 0.787 109.595 108.800 0.012 0.000 2.583 402 G HA2 -0.350 3.605 3.960 -0.007 0.000 0.292 402 G HA3 -0.350 3.605 3.960 -0.007 0.000 0.292 402 G C 0.289 175.200 174.900 0.019 0.000 1.203 402 G CA 0.400 45.505 45.100 0.009 0.000 0.987 402 G HN 0.316 nan 8.290 nan 0.000 0.554 403 D N 0.634 121.054 120.400 0.034 0.000 2.368 403 D HA 0.213 4.849 4.640 -0.007 0.000 0.218 403 D C 2.274 178.588 176.300 0.023 0.000 1.112 403 D CA 0.088 54.104 54.000 0.028 0.000 0.834 403 D CB 0.517 41.346 40.800 0.048 0.000 0.953 403 D HN 0.257 nan 8.370 nan 0.000 0.505 404 L N 1.087 122.333 121.223 0.038 0.000 2.021 404 L HA -0.237 4.098 4.340 -0.007 0.000 0.215 404 L C 1.804 178.644 176.870 -0.049 0.000 1.074 404 L CA 1.698 56.555 54.840 0.030 0.000 0.760 404 L CB -0.352 41.765 42.059 0.096 0.000 0.889 404 L HN -0.050 nan 8.230 nan 0.000 0.433 405 I N -0.802 119.710 120.570 -0.097 0.000 2.179 405 I HA -0.275 3.891 4.170 -0.007 0.000 0.242 405 I C 2.590 178.624 176.117 -0.139 0.000 1.088 405 I CA 1.531 62.715 61.300 -0.194 0.000 1.357 405 I CB -1.495 36.270 38.000 -0.392 0.000 1.051 405 I HN 0.376 nan 8.210 nan 0.000 0.409 406 L N 0.453 121.615 121.223 -0.101 0.000 2.042 406 L HA -0.220 4.115 4.340 -0.007 0.000 0.210 406 L C 2.480 179.306 176.870 -0.074 0.000 1.076 406 L CA 1.690 56.484 54.840 -0.077 0.000 0.749 406 L CB -0.152 41.880 42.059 -0.045 0.000 0.893 406 L HN 0.086 nan 8.230 nan 0.000 0.432 407 I N -0.808 119.723 120.570 -0.064 0.000 2.233 407 I HA -0.286 3.879 4.170 -0.007 0.000 0.243 407 I C 2.310 178.342 176.117 -0.142 0.000 1.093 407 I CA 1.071 62.328 61.300 -0.072 0.000 1.380 407 I CB -0.218 37.759 38.000 -0.038 0.000 1.067 407 I HN 0.231 nan 8.210 nan 0.000 0.413 408 L N 0.214 121.326 121.223 -0.185 0.000 2.083 408 L HA -0.194 4.141 4.340 -0.007 0.000 0.209 408 L C 2.589 179.379 176.870 -0.134 0.000 1.083 408 L CA 1.318 56.030 54.840 -0.213 0.000 0.752 408 L CB -0.565 41.372 42.059 -0.203 0.000 0.899 408 L HN 0.170 nan 8.230 nan 0.000 0.433 409 R N -0.188 120.244 120.500 -0.113 0.000 2.237 409 R HA -0.005 4.330 4.340 -0.007 0.000 0.219 409 R C 0.532 176.759 176.300 -0.120 0.000 1.080 409 R CA 0.241 56.281 56.100 -0.101 0.000 0.995 409 R CB -0.258 29.981 30.300 -0.101 0.000 0.875 409 R HN 0.272 nan 8.270 nan 0.000 0.462 410 L N 2.412 123.556 121.223 -0.132 0.000 2.456 410 L HA 0.101 4.437 4.340 -0.007 0.000 0.272 410 L C -1.981 174.781 176.870 -0.179 0.000 1.189 410 L CA -1.928 52.813 54.840 -0.166 0.000 0.846 410 L CB 0.053 42.081 42.059 -0.053 0.000 1.111 410 L HN -0.167 nan 8.230 nan 0.000 0.475 411 P HA -0.020 nan 4.420 nan 0.000 0.267 411 P C 0.507 177.643 177.300 -0.274 0.000 1.200 411 P CA 0.009 62.954 63.100 -0.259 0.000 0.772 411 P CB 0.828 32.295 31.700 -0.389 0.000 0.855 412 S N 2.582 118.221 115.700 -0.102 0.000 2.365 412 S HA -0.157 4.308 4.470 -0.007 0.000 0.225 412 S C 1.526 176.111 174.600 -0.025 0.000 1.039 412 S CA 1.548 59.724 58.200 -0.039 0.000 1.033 412 S CB -0.798 62.428 63.200 0.043 0.000 0.887 412 S HN 0.686 nan 8.310 nan 0.000 0.447 413 W N -0.111 121.227 121.300 0.062 0.000 2.392 413 W HA -0.095 4.561 4.660 -0.007 0.000 0.279 413 W C 1.812 178.386 176.519 0.092 0.000 1.225 413 W CA 0.487 57.868 57.345 0.061 0.000 1.233 413 W CB -1.184 28.312 29.460 0.061 0.000 1.122 413 W HN 0.402 nan 8.180 nan 0.000 0.561 414 F N 2.432 121.813 119.950 -0.948 0.000 2.219 414 F HA 0.053 4.575 4.527 -0.008 0.000 0.294 414 F C 2.518 178.090 175.800 -0.380 0.000 1.086 414 F CA 1.748 59.209 58.000 -0.898 0.000 1.330 414 F CB -0.345 37.892 39.000 -1.271 0.000 1.047 414 F HN -0.321 nan 8.300 nan 0.000 0.495 415 K N -0.015 120.265 120.400 -0.199 0.000 2.044 415 K HA -0.283 4.032 4.320 -0.007 0.000 0.210 415 K C 2.199 178.699 176.600 -0.168 0.000 1.049 415 K CA 1.945 58.130 56.287 -0.170 0.000 0.927 415 K CB -0.291 32.133 32.500 -0.127 0.000 0.713 415 K HN 0.086 nan 8.250 nan 0.000 0.443 416 R N 1.216 121.653 120.500 -0.105 0.000 2.081 416 R HA -0.127 4.209 4.340 -0.007 0.000 0.235 416 R C 2.105 178.358 176.300 -0.078 0.000 1.131 416 R CA 1.162 57.230 56.100 -0.055 0.000 0.960 416 R CB -0.568 29.743 30.300 0.019 0.000 0.856 416 R HN 0.158 nan 8.270 nan 0.000 0.436 417 L N -0.021 121.139 121.223 -0.106 0.000 2.027 417 L HA 0.012 4.347 4.340 -0.007 0.000 0.206 417 L C 1.936 178.668 176.870 -0.229 0.000 1.074 417 L CA 1.543 56.313 54.840 -0.117 0.000 0.745 417 L CB -0.842 41.193 42.059 -0.040 0.000 0.898 417 L HN 0.353 nan 8.230 nan 0.000 0.433 418 L N -0.884 120.090 121.223 -0.416 0.000 2.042 418 L HA -0.193 4.143 4.340 -0.007 0.000 0.210 418 L C 2.736 179.492 176.870 -0.189 0.000 1.076 418 L CA 2.103 56.719 54.840 -0.373 0.000 0.749 418 L CB -1.074 40.690 42.059 -0.492 0.000 0.893 418 L HN 0.487 nan 8.230 nan 0.000 0.432 419 S N -0.913 114.695 115.700 -0.154 0.000 2.359 419 S HA -0.213 4.252 4.470 -0.007 0.000 0.223 419 S C 2.048 176.607 174.600 -0.069 0.000 1.039 419 S CA 1.896 60.045 58.200 -0.086 0.000 1.042 419 S CB -0.408 62.752 63.200 -0.066 0.000 0.915 419 S HN 0.486 nan 8.310 nan 0.000 0.439 420 L N 0.449 121.630 121.223 -0.070 0.000 2.093 420 L HA -0.071 4.264 4.340 -0.007 0.000 0.208 420 L C 2.404 179.238 176.870 -0.059 0.000 1.085 420 L CA 0.591 55.400 54.840 -0.052 0.000 0.755 420 L CB -0.475 41.561 42.059 -0.038 0.000 0.904 420 L HN 0.303 nan 8.230 nan 0.000 0.435 421 L N -0.514 120.663 121.223 -0.076 0.000 2.017 421 L HA -0.212 4.124 4.340 -0.007 0.000 0.208 421 L C 2.255 179.081 176.870 -0.073 0.000 1.073 421 L CA 1.777 56.574 54.840 -0.073 0.000 0.745 421 L CB -0.492 41.516 42.059 -0.086 0.000 0.894 421 L HN 0.168 nan 8.230 nan 0.000 0.432 422 L N -1.221 119.963 121.223 -0.065 0.000 2.492 422 L HA -0.112 4.224 4.340 -0.007 0.000 0.223 422 L C 2.403 179.231 176.870 -0.070 0.000 1.132 422 L CA 0.367 55.178 54.840 -0.048 0.000 0.850 422 L CB -0.428 41.636 42.059 0.010 0.000 0.966 422 L HN 0.287 nan 8.230 nan 0.000 0.454 423 K N 1.136 121.499 120.400 -0.062 0.000 2.032 423 K HA -0.159 4.157 4.320 -0.007 0.000 0.209 423 K C -0.465 176.093 176.600 -0.070 0.000 1.048 423 K CA 1.518 57.774 56.287 -0.052 0.000 0.927 423 K CB -0.606 31.871 32.500 -0.038 0.000 0.712 423 K HN 0.217 nan 8.250 nan 0.000 0.441 424 P HA -0.109 nan 4.420 nan 0.000 0.225 424 P C 1.308 178.497 177.300 -0.185 0.000 1.156 424 P CA 1.056 64.091 63.100 -0.109 0.000 0.787 424 P CB 0.177 31.817 31.700 -0.100 0.000 0.802 425 L N -1.927 119.114 121.223 -0.304 0.000 2.121 425 L HA 0.117 4.452 4.340 -0.007 0.000 0.200 425 L C 0.697 177.170 176.870 -0.661 0.000 1.077 425 L CA 1.029 55.472 54.840 -0.660 0.000 0.766 425 L CB -0.065 41.392 42.059 -1.004 0.000 0.931 425 L HN -0.223 nan 8.230 nan 0.000 0.452 426 F N -0.292 119.607 119.950 -0.085 0.000 2.622 426 F HA 0.321 4.844 4.527 -0.007 0.000 0.338 426 F C -1.752 173.938 175.800 -0.184 0.000 1.334 426 F CA -2.771 55.142 58.000 -0.145 0.000 1.179 426 F CB 0.055 38.938 39.000 -0.194 0.000 1.471 426 F HN -0.121 nan 8.300 nan 0.000 0.576 427 P HA -0.154 nan 4.420 nan 0.000 0.220 427 P C 1.614 178.841 177.300 -0.122 0.000 1.148 427 P CA 1.332 64.406 63.100 -0.043 0.000 0.803 427 P CB 0.424 32.128 31.700 0.008 0.000 0.782 428 R N -0.318 119.995 120.500 -0.312 0.000 2.066 428 R HA -0.008 4.327 4.340 -0.007 0.000 0.232 428 R C 2.595 178.680 176.300 -0.359 0.000 1.131 428 R CA 1.163 57.015 56.100 -0.413 0.000 0.955 428 R CB -0.906 28.906 30.300 -0.813 0.000 0.851 428 R HN 0.255 nan 8.270 nan 0.000 0.432 429 L N 0.073 120.992 121.223 -0.507 0.000 2.046 429 L HA -0.148 4.188 4.340 -0.007 0.000 0.208 429 L C 2.733 179.569 176.870 -0.057 0.000 1.077 429 L CA 1.318 55.925 54.840 -0.388 0.000 0.747 429 L CB -0.791 41.026 42.059 -0.403 0.000 0.896 429 L HN 0.224 nan 8.230 nan 0.000 0.432 430 A N 0.376 123.165 122.820 -0.052 0.000 1.908 430 A HA -0.191 4.125 4.320 -0.007 0.000 0.218 430 A C 2.573 180.173 177.584 0.026 0.000 1.181 430 A CA 1.943 53.971 52.037 -0.014 0.000 0.627 430 A CB -0.695 18.291 19.000 -0.023 0.000 0.818 430 A HN 0.415 nan 8.150 nan 0.000 0.445 431 A N -1.310 121.541 122.820 0.050 0.000 1.877 431 A HA -0.059 4.256 4.320 -0.007 0.000 0.216 431 A C 2.119 179.805 177.584 0.170 0.000 1.186 431 A CA 1.462 53.558 52.037 0.097 0.000 0.620 431 A CB -0.773 18.294 19.000 0.112 0.000 0.822 431 A HN 0.650 nan 8.150 nan 0.000 0.443 432 F N 0.334 120.320 119.950 0.060 0.000 2.065 432 F HA -0.227 4.295 4.527 -0.008 0.000 0.298 432 F C 2.064 177.895 175.800 0.051 0.000 1.112 432 F CA 1.784 59.856 58.000 0.121 0.000 1.212 432 F CB -0.144 39.017 39.000 0.267 0.000 0.975 432 F HN 0.163 nan 8.300 nan 0.000 0.476 433 L N 0.254 121.488 121.223 0.019 0.000 2.042 433 L HA -0.294 4.042 4.340 -0.007 0.000 0.210 433 L C 2.088 178.887 176.870 -0.119 0.000 1.076 433 L CA 1.826 56.590 54.840 -0.126 0.000 0.749 433 L CB -0.745 41.275 42.059 -0.064 0.000 0.893 433 L HN 0.228 nan 8.230 nan 0.000 0.432 434 N N -0.264 118.407 118.700 -0.048 0.000 2.331 434 N HA -0.132 4.604 4.740 -0.007 0.000 0.180 434 N C 1.230 176.723 175.510 -0.028 0.000 1.019 434 N CA 0.889 53.919 53.050 -0.034 0.000 0.881 434 N CB 0.071 38.554 38.487 -0.006 0.000 0.972 434 N HN 0.235 nan 8.380 nan 0.000 0.435 435 N N 0.028 118.713 118.700 -0.025 0.000 2.235 435 N HA 0.086 4.822 4.740 -0.007 0.000 0.209 435 N C 0.202 175.697 175.510 -0.026 0.000 1.122 435 N CA 0.138 53.187 53.050 -0.003 0.000 0.845 435 N CB 0.286 38.798 38.487 0.042 0.000 1.004 435 N HN 0.541 nan 8.380 nan 0.000 0.499 436 M N -1.375 118.156 119.600 -0.115 0.000 2.673 436 M HA 0.378 4.854 4.480 -0.007 0.000 0.334 436 M C -0.359 175.875 176.300 -0.111 0.000 1.211 436 M CA -0.378 54.835 55.300 -0.144 0.000 0.962 436 M CB 0.388 32.717 32.600 -0.452 0.000 1.343 436 M HN -0.280 nan 8.290 nan 0.000 0.511 437 R N 1.955 122.418 120.500 -0.060 0.000 2.500 437 R HA 0.580 4.916 4.340 -0.007 0.000 0.277 437 R C -2.475 173.820 176.300 -0.009 0.000 1.026 437 R CA -1.702 54.373 56.100 -0.041 0.000 1.058 437 R CB 0.372 30.654 30.300 -0.029 0.000 1.078 437 R HN 0.103 nan 8.270 nan 0.000 0.509 438 P HA 0.036 nan 4.420 nan 0.000 0.271 438 P C -1.020 176.285 177.300 0.007 0.000 1.218 438 P CA 0.071 63.177 63.100 0.009 0.000 0.780 438 P CB 0.747 32.454 31.700 0.011 0.000 0.901 439 R N 0.040 120.542 120.500 0.003 0.000 2.817 439 R HA 0.607 4.943 4.340 -0.007 0.000 0.268 439 R C -0.528 175.756 176.300 -0.025 0.000 1.027 439 R CA -0.860 55.237 56.100 -0.006 0.000 0.928 439 R CB 0.607 30.907 30.300 -0.001 0.000 1.228 439 R HN 0.463 nan 8.270 nan 0.000 0.469 440 S N -0.090 115.584 115.700 -0.044 0.000 2.614 440 S HA 0.310 4.776 4.470 -0.007 0.000 0.265 440 S C 1.390 175.909 174.600 -0.135 0.000 1.303 440 S CA -0.197 57.953 58.200 -0.084 0.000 1.000 440 S CB 1.415 64.559 63.200 -0.093 0.000 0.935 440 S HN 0.815 nan 8.310 nan 0.000 0.551 441 A N 0.711 123.408 122.820 -0.206 0.000 1.948 441 A HA -0.169 4.147 4.320 -0.007 0.000 0.220 441 A C 2.123 179.361 177.584 -0.576 0.000 1.177 441 A CA 1.920 53.741 52.037 -0.359 0.000 0.636 441 A CB -1.311 17.437 19.000 -0.420 0.000 0.815 441 A HN 1.033 nan 8.150 nan 0.000 0.449 442 E N -0.310 119.599 120.200 -0.484 0.000 2.097 442 E HA -0.245 4.101 4.350 -0.007 0.000 0.196 442 E C 1.718 178.238 176.600 -0.133 0.000 1.000 442 E CA 1.506 57.678 56.400 -0.380 0.000 0.804 442 E CB -0.026 29.549 29.700 -0.208 0.000 0.740 442 E HN 0.464 nan 8.360 nan 0.000 0.454 443 K N 0.170 120.519 120.400 -0.085 0.000 2.167 443 K HA -0.081 4.235 4.320 -0.007 0.000 0.203 443 K C 2.164 178.791 176.600 0.044 0.000 1.052 443 K CA 0.277 56.568 56.287 0.005 0.000 0.956 443 K CB -0.249 32.252 32.500 0.002 0.000 0.735 443 K HN 0.196 nan 8.250 nan 0.000 0.451 444 L N 0.298 121.526 121.223 0.009 0.000 2.083 444 L HA -0.094 4.241 4.340 -0.007 0.000 0.209 444 L C 1.785 178.792 176.870 0.228 0.000 1.083 444 L CA 1.532 56.419 54.840 0.078 0.000 0.752 444 L CB -0.541 41.546 42.059 0.047 0.000 0.899 444 L HN 0.151 nan 8.230 nan 0.000 0.433 445 W N 0.483 121.806 121.300 0.039 0.000 2.358 445 W HA -0.174 4.482 4.660 -0.008 0.000 0.303 445 W C 2.740 179.304 176.519 0.075 0.000 1.208 445 W CA 1.470 58.843 57.345 0.046 0.000 1.274 445 W CB -0.984 28.494 29.460 0.031 0.000 1.138 445 W HN 0.247 nan 8.180 nan 0.000 0.515 446 K N 0.128 120.715 120.400 0.312 0.000 2.057 446 K HA -0.197 4.119 4.320 -0.007 0.000 0.207 446 K C 2.124 178.845 176.600 0.202 0.000 1.049 446 K CA 1.423 57.854 56.287 0.241 0.000 0.931 446 K CB -0.577 32.029 32.500 0.176 0.000 0.714 446 K HN 0.002 nan 8.250 nan 0.000 0.440 447 L N 1.793 123.108 121.223 0.152 0.000 2.012 447 L HA -0.211 4.125 4.340 -0.007 0.000 0.210 447 L C 2.486 179.417 176.870 0.101 0.000 1.073 447 L CA 1.915 56.814 54.840 0.099 0.000 0.748 447 L CB -0.741 41.356 42.059 0.063 0.000 0.891 447 L HN 0.277 nan 8.230 nan 0.000 0.431 448 Q N -1.235 118.650 119.800 0.142 0.000 2.096 448 Q HA -0.297 4.038 4.340 -0.007 0.000 0.204 448 Q C 2.300 178.392 176.000 0.153 0.000 0.982 448 Q CA 2.151 58.031 55.803 0.128 0.000 0.850 448 Q CB -0.444 28.381 28.738 0.144 0.000 0.901 448 Q HN 0.730 nan 8.270 nan 0.000 0.422 449 H N 0.222 119.339 119.070 0.079 0.000 2.353 449 H HA -0.032 4.519 4.556 -0.008 0.000 0.300 449 H C 1.571 176.951 175.328 0.088 0.000 1.090 449 H CA 2.131 58.221 56.048 0.070 0.000 1.327 449 H CB 0.053 29.857 29.762 0.071 0.000 1.383 449 H HN 0.458 nan 8.280 nan 0.000 0.508 450 E N -0.169 120.048 120.200 0.028 0.000 2.118 450 E HA -0.154 4.191 4.350 -0.007 0.000 0.195 450 E C 2.392 179.003 176.600 0.018 0.000 0.992 450 E CA 1.321 57.725 56.400 0.006 0.000 0.804 450 E CB -0.068 29.693 29.700 0.101 0.000 0.741 450 E HN 0.535 nan 8.360 nan 0.000 0.458 451 I N 1.183 121.758 120.570 0.008 0.000 2.179 451 I HA -0.284 3.881 4.170 -0.007 0.000 0.242 451 I C 2.222 178.378 176.117 0.064 0.000 1.088 451 I CA 1.314 62.624 61.300 0.017 0.000 1.357 451 I CB -0.272 37.728 38.000 -0.001 0.000 1.051 451 I HN 0.096 nan 8.210 nan 0.000 0.409 452 E N 0.552 120.782 120.200 0.051 0.000 2.058 452 E HA -0.261 4.084 4.350 -0.007 0.000 0.194 452 E C 2.286 178.904 176.600 0.031 0.000 0.997 452 E CA 1.540 57.974 56.400 0.057 0.000 0.801 452 E CB -0.166 29.593 29.700 0.098 0.000 0.746 452 E HN 0.460 nan 8.360 nan 0.000 0.450 453 M N -0.504 119.074 119.600 -0.036 0.000 2.229 453 M HA -0.148 4.327 4.480 -0.007 0.000 0.264 453 M C 2.172 178.514 176.300 0.069 0.000 1.063 453 M CA 1.218 56.498 55.300 -0.034 0.000 1.114 453 M CB -0.197 32.313 32.600 -0.149 0.000 1.387 453 M HN 0.201 nan 8.290 nan 0.000 0.420 454 Y N 0.676 120.977 120.300 0.002 0.000 2.200 454 Y HA -0.198 4.348 4.550 -0.008 0.000 0.290 454 Y C 2.597 178.510 175.900 0.022 0.000 1.137 454 Y CA 1.571 59.691 58.100 0.032 0.000 1.163 454 Y CB -0.087 38.375 38.460 0.003 0.000 0.988 454 Y HN 0.043 nan 8.280 nan 0.000 0.518 455 R N -0.065 120.421 120.500 -0.024 0.000 2.083 455 R HA -0.208 4.128 4.340 -0.007 0.000 0.237 455 R C 2.216 178.505 176.300 -0.018 0.000 1.137 455 R CA 1.921 57.994 56.100 -0.045 0.000 0.951 455 R CB -0.148 30.189 30.300 0.062 0.000 0.851 455 R HN 0.409 nan 8.270 nan 0.000 0.434 456 Q N -0.247 119.555 119.800 0.004 0.000 2.170 456 Q HA -0.123 4.213 4.340 -0.007 0.000 0.203 456 Q C 2.063 178.065 176.000 0.003 0.000 0.976 456 Q CA 1.463 57.276 55.803 0.017 0.000 0.858 456 Q CB -0.327 28.427 28.738 0.027 0.000 0.907 456 Q HN 0.253 nan 8.270 nan 0.000 0.433 457 S N 0.125 115.800 115.700 -0.042 0.000 2.351 457 S HA -0.124 4.342 4.470 -0.007 0.000 0.220 457 S C 2.064 176.633 174.600 -0.051 0.000 1.035 457 S CA 1.512 59.682 58.200 -0.051 0.000 1.031 457 S CB -0.159 62.998 63.200 -0.073 0.000 0.928 457 S HN 0.191 nan 8.310 nan 0.000 0.433 458 V N 1.940 121.750 119.914 -0.174 0.000 2.407 458 V HA -0.124 3.992 4.120 -0.007 0.000 0.248 458 V C 2.312 178.563 176.094 0.262 0.000 1.055 458 V CA 1.832 64.132 62.300 0.000 0.000 1.049 458 V CB -0.685 31.035 31.823 -0.171 0.000 0.662 458 V HN 0.504 nan 8.190 nan 0.000 0.455 459 I N 0.485 121.166 120.570 0.184 0.000 2.163 459 I HA -0.270 3.895 4.170 -0.007 0.000 0.243 459 I C 2.671 178.889 176.117 0.169 0.000 1.085 459 I CA 1.600 62.976 61.300 0.127 0.000 1.347 459 I CB -0.564 37.442 38.000 0.009 0.000 1.044 459 I HN 0.296 nan 8.210 nan 0.000 0.408 460 A N -0.167 122.732 122.820 0.131 0.000 1.902 460 A HA -0.294 4.021 4.320 -0.007 0.000 0.217 460 A C 2.307 180.005 177.584 0.191 0.000 1.181 460 A CA 1.822 53.936 52.037 0.128 0.000 0.623 460 A CB -0.739 18.309 19.000 0.081 0.000 0.818 460 A HN 0.494 nan 8.150 nan 0.000 0.443 461 Q N -1.460 118.482 119.800 0.235 0.000 2.061 461 Q HA -0.221 4.114 4.340 -0.007 0.000 0.204 461 Q C 2.042 178.346 176.000 0.507 0.000 0.984 461 Q CA 1.808 57.803 55.803 0.320 0.000 0.846 461 Q CB -0.280 28.634 28.738 0.293 0.000 0.902 461 Q HN 0.876 nan 8.270 nan 0.000 0.421 462 W N 1.540 123.019 121.300 0.299 0.000 2.333 462 W HA -0.206 4.449 4.660 -0.008 0.000 0.316 462 W C 1.428 177.934 176.519 -0.020 0.000 1.215 462 W CA 1.590 58.957 57.345 0.036 0.000 1.278 462 W CB -0.164 29.311 29.460 0.025 0.000 1.154 462 W HN 0.116 nan 8.180 nan 0.000 0.486 463 K N 0.020 120.648 120.400 0.381 0.000 2.283 463 K HA -0.051 4.265 4.320 -0.007 0.000 0.202 463 K C 2.146 178.826 176.600 0.134 0.000 1.048 463 K CA 1.066 57.491 56.287 0.231 0.000 0.948 463 K CB -0.363 32.232 32.500 0.158 0.000 0.742 463 K HN 0.084 nan 8.250 nan 0.000 0.458 464 A N 0.980 123.886 122.820 0.144 0.000 1.968 464 A HA -0.050 4.265 4.320 -0.007 0.000 0.217 464 A C 1.851 179.483 177.584 0.080 0.000 1.169 464 A CA 1.001 53.100 52.037 0.103 0.000 0.638 464 A CB -0.075 18.991 19.000 0.111 0.000 0.812 464 A HN 0.097 nan 8.150 nan 0.000 0.446 465 M N -1.084 118.564 119.600 0.080 0.000 2.494 465 M HA 0.165 4.640 4.480 -0.007 0.000 0.232 465 M C 0.384 176.640 176.300 -0.073 0.000 1.137 465 M CA -0.158 55.152 55.300 0.015 0.000 1.012 465 M CB -1.594 31.032 32.600 0.043 0.000 1.567 465 M HN 0.540 nan 8.290 nan 0.000 0.486 466 N N 1.060 119.734 118.700 -0.043 0.000 2.740 466 N HA -0.153 4.582 4.740 -0.007 0.000 0.248 466 N C -0.908 174.519 175.510 -0.140 0.000 1.062 466 N CA 0.131 53.155 53.050 -0.042 0.000 0.704 466 N CB -0.865 37.608 38.487 -0.023 0.000 0.968 466 N HN 0.370 nan 8.380 nan 0.000 0.547 467 L N -0.598 120.415 121.223 -0.350 0.000 2.452 467 L HA 0.131 4.466 4.340 -0.007 0.000 0.267 467 L C 1.289 178.027 176.870 -0.220 0.000 1.188 467 L CA -0.309 54.186 54.840 -0.576 0.000 0.821 467 L CB 0.459 41.648 42.059 -1.451 0.000 1.102 467 L HN 0.186 nan 8.230 nan 0.000 0.470 468 D N 0.515 120.799 120.400 -0.194 0.000 2.259 468 D HA 0.077 4.712 4.640 -0.007 0.000 0.216 468 D C 0.338 176.674 176.300 0.061 0.000 0.961 468 D CA 1.045 55.035 54.000 -0.018 0.000 0.878 468 D CB 0.705 41.451 40.800 -0.090 0.000 1.009 468 D HN 0.361 nan 8.370 nan 0.000 0.490 469 V N -1.770 118.002 119.914 -0.236 0.000 3.181 469 V HA 0.699 4.814 4.120 -0.007 0.000 0.307 469 V C -1.649 174.158 176.094 -0.478 0.000 1.310 469 V CA -1.132 61.037 62.300 -0.219 0.000 1.067 469 V CB 2.647 34.122 31.823 -0.580 0.000 1.081 469 V HN -0.072 nan 8.190 nan 0.000 0.453 470 L N 1.530 122.637 121.223 -0.192 0.000 2.464 470 L HA 0.834 5.169 4.340 -0.007 0.000 0.266 470 L C -1.449 175.502 176.870 0.135 0.000 0.965 470 L CA -0.546 54.224 54.840 -0.117 0.000 0.833 470 L CB 1.645 43.692 42.059 -0.021 0.000 1.296 470 L HN 0.940 nan 8.230 nan 0.000 0.405 471 L N 4.734 126.043 121.223 0.143 0.000 2.313 471 L HA 0.881 5.216 4.340 -0.007 0.000 0.283 471 L C -0.203 176.622 176.870 -0.076 0.000 1.013 471 L CA 0.442 55.381 54.840 0.165 0.000 0.816 471 L CB 1.624 43.835 42.059 0.253 0.000 1.236 471 L HN 0.891 nan 8.230 nan 0.000 0.419 472 T N 2.476 116.923 114.554 -0.179 0.000 2.887 472 T HA 0.777 5.122 4.350 -0.007 0.000 0.292 472 T C -2.911 171.652 174.700 -0.229 0.000 1.087 472 T CA -2.156 59.683 62.100 -0.435 0.000 1.009 472 T CB 1.970 70.594 68.868 -0.407 0.000 1.203 472 T HN 0.340 nan 8.240 nan 0.000 0.518 473 P HA 0.489 nan 4.420 nan 0.000 0.274 473 P C -1.028 176.090 177.300 -0.304 0.000 1.246 473 P CA -0.647 62.278 63.100 -0.292 0.000 0.795 473 P CB 0.360 31.782 31.700 -0.464 0.000 1.006 474 M N 2.040 121.494 119.600 -0.243 0.000 2.395 474 M HA 0.415 4.890 4.480 -0.007 0.000 0.307 474 M C -1.557 174.698 176.300 -0.075 0.000 1.091 474 M CA -1.411 53.808 55.300 -0.135 0.000 0.919 474 M CB 1.271 33.827 32.600 -0.074 0.000 1.662 474 M HN 0.053 nan 8.290 nan 0.000 0.440 475 L N 4.479 125.742 121.223 0.067 0.000 2.559 475 L HA 0.572 4.908 4.340 -0.007 0.000 0.274 475 L C 0.071 177.112 176.870 0.285 0.000 1.205 475 L CA 1.469 56.444 54.840 0.225 0.000 0.907 475 L CB -0.403 41.923 42.059 0.445 0.000 1.153 475 L HN 0.863 nan 8.230 nan 0.000 0.490 476 G N 4.860 113.735 108.800 0.125 0.000 2.368 476 G HA2 0.423 4.378 3.960 -0.007 0.000 0.293 476 G HA3 0.423 4.378 3.960 -0.007 0.000 0.293 476 G C -3.293 171.551 174.900 -0.093 0.000 1.467 476 G CA -0.634 44.465 45.100 -0.002 0.000 0.804 476 G HN 0.507 nan 8.290 nan 0.000 0.535 477 P HA 0.480 nan 4.420 nan 0.000 0.289 477 P C 0.352 177.330 177.300 -0.536 0.000 1.299 477 P CA 0.074 63.010 63.100 -0.275 0.000 0.766 477 P CB 0.644 32.203 31.700 -0.236 0.000 1.226 478 A N 0.301 122.702 122.820 -0.698 0.000 2.580 478 A HA 0.100 4.415 4.320 -0.007 0.000 0.244 478 A C 0.300 177.488 177.584 -0.659 0.000 1.045 478 A CA 0.174 51.554 52.037 -1.094 0.000 0.761 478 A CB -1.240 17.448 19.000 -0.521 0.000 0.962 478 A HN 0.385 nan 8.150 nan 0.000 0.512 479 L N 2.722 123.550 121.223 -0.658 0.000 2.439 479 L HA 0.149 4.485 4.340 -0.007 0.000 0.269 479 L C 0.604 177.373 176.870 -0.168 0.000 1.179 479 L CA 0.289 54.968 54.840 -0.268 0.000 0.828 479 L CB 0.133 42.124 42.059 -0.113 0.000 1.106 479 L HN 0.625 nan 8.230 nan 0.000 0.467 480 D N 1.434 121.759 120.400 -0.124 0.000 2.443 480 D HA 0.050 4.686 4.640 -0.007 0.000 0.234 480 D C 0.090 176.348 176.300 -0.070 0.000 1.172 480 D CA 0.111 54.060 54.000 -0.085 0.000 0.878 480 D CB 0.349 41.106 40.800 -0.072 0.000 1.204 480 D HN 0.260 nan 8.370 nan 0.000 0.453 481 L N 2.909 124.104 121.223 -0.047 0.000 2.525 481 L HA -0.072 4.263 4.340 -0.007 0.000 0.278 481 L C 1.196 178.035 176.870 -0.053 0.000 1.218 481 L CA 0.180 54.996 54.840 -0.039 0.000 0.878 481 L CB 0.021 42.067 42.059 -0.022 0.000 1.127 481 L HN 0.433 nan 8.230 nan 0.000 0.492 482 N N 0.194 118.855 118.700 -0.065 0.000 2.782 482 N HA -0.185 4.550 4.740 -0.007 0.000 0.251 482 N C 0.888 176.344 175.510 -0.089 0.000 1.101 482 N CA 1.257 54.266 53.050 -0.069 0.000 0.764 482 N CB -0.915 37.547 38.487 -0.042 0.000 1.122 482 N HN 0.964 nan 8.380 nan 0.000 0.561 483 T N -4.766 109.715 114.554 -0.123 0.000 2.999 483 T HA 0.185 4.531 4.350 -0.007 0.000 0.247 483 T C -1.242 173.326 174.700 -0.220 0.000 1.012 483 T CA 0.246 62.268 62.100 -0.131 0.000 1.048 483 T CB -0.028 68.781 68.868 -0.099 0.000 1.020 483 T HN -0.089 nan 8.240 nan 0.000 0.478 484 P HA 0.009 nan 4.420 nan 0.000 0.217 484 P C 1.885 178.832 177.300 -0.587 0.000 1.148 484 P CA 1.542 64.127 63.100 -0.858 0.000 0.828 484 P CB -0.711 30.089 31.700 -1.500 0.000 0.783 485 G N -0.517 108.073 108.800 -0.350 0.000 2.499 485 G HA2 -0.254 3.702 3.960 -0.007 0.000 0.221 485 G HA3 -0.254 3.702 3.960 -0.007 0.000 0.221 485 G C 1.501 176.320 174.900 -0.135 0.000 1.109 485 G CA 0.643 45.632 45.100 -0.185 0.000 0.749 485 G HN 0.314 nan 8.290 nan 0.000 0.568 486 R N -0.692 119.723 120.500 -0.141 0.000 2.476 486 R HA 0.356 4.692 4.340 -0.007 0.000 0.276 486 R C 1.031 177.250 176.300 -0.134 0.000 0.941 486 R CA 0.330 56.379 56.100 -0.084 0.000 1.088 486 R CB 0.795 31.088 30.300 -0.011 0.000 1.216 486 R HN 0.184 nan 8.270 nan 0.000 0.533 487 A N 1.070 123.789 122.820 -0.168 0.000 3.215 487 A HA 0.178 4.493 4.320 -0.007 0.000 0.269 487 A C 0.766 178.186 177.584 -0.274 0.000 1.517 487 A CA -0.244 51.717 52.037 -0.126 0.000 1.221 487 A CB -0.331 18.684 19.000 0.024 0.000 1.160 487 A HN 0.072 nan 8.150 nan 0.000 0.620 488 T N -0.342 113.697 114.554 -0.858 0.000 2.904 488 T HA -0.068 4.277 4.350 -0.007 0.000 0.267 488 T C 2.011 176.138 174.700 -0.955 0.000 1.059 488 T CA 1.568 63.037 62.100 -1.051 0.000 1.137 488 T CB 0.002 67.865 68.868 -1.674 0.000 0.879 488 T HN 0.614 nan 8.240 nan 0.000 0.467 489 G N 1.072 109.322 108.800 -0.917 0.000 2.484 489 G HA2 0.088 4.044 3.960 -0.007 0.000 0.218 489 G HA3 0.088 4.044 3.960 -0.007 0.000 0.218 489 G C 1.652 176.601 174.900 0.082 0.000 1.130 489 G CA 0.543 45.570 45.100 -0.122 0.000 0.784 489 G HN 0.573 nan 8.290 nan 0.000 0.543 490 A N 0.728 123.570 122.820 0.037 0.000 2.225 490 A HA 0.138 4.453 4.320 -0.007 0.000 0.215 490 A C 2.425 180.061 177.584 0.086 0.000 1.164 490 A CA 1.497 53.618 52.037 0.140 0.000 0.710 490 A CB -0.453 18.648 19.000 0.168 0.000 0.780 490 A HN 0.861 nan 8.150 nan 0.000 0.473 491 V N -1.595 118.305 119.914 -0.024 0.000 3.380 491 V HA -0.117 3.999 4.120 -0.007 0.000 0.268 491 V C 2.188 178.308 176.094 0.043 0.000 1.168 491 V CA 1.736 64.068 62.300 0.053 0.000 1.156 491 V CB -1.305 30.506 31.823 -0.020 0.000 0.785 491 V HN 0.650 nan 8.190 nan 0.000 0.487 492 S N 0.428 116.130 115.700 0.004 0.000 2.374 492 S HA -0.304 4.161 4.470 -0.007 0.000 0.227 492 S C 1.859 176.372 174.600 -0.146 0.000 1.037 492 S CA 1.976 60.087 58.200 -0.148 0.000 1.024 492 S CB -1.158 61.948 63.200 -0.157 0.000 0.861 492 S HN 0.630 nan 8.310 nan 0.000 0.456 493 Y N 3.044 123.409 120.300 0.110 0.000 2.274 493 Y HA -0.054 4.492 4.550 -0.008 0.000 0.290 493 Y C 3.218 179.183 175.900 0.108 0.000 1.145 493 Y CA 1.442 59.635 58.100 0.155 0.000 1.203 493 Y CB -0.874 37.687 38.460 0.169 0.000 0.984 493 Y HN 0.636 nan 8.280 nan 0.000 0.533 494 T N -4.075 110.533 114.554 0.090 0.000 3.033 494 T HA -0.057 4.288 4.350 -0.007 0.000 0.248 494 T C 1.804 176.484 174.700 -0.034 0.000 1.040 494 T CA 0.703 62.787 62.100 -0.025 0.000 1.133 494 T CB -0.444 68.197 68.868 -0.378 0.000 0.895 494 T HN 0.144 nan 8.240 nan 0.000 0.465 495 M N 1.452 121.003 119.600 -0.082 0.000 2.213 495 M HA 0.164 4.640 4.480 -0.007 0.000 0.263 495 M C 1.921 178.116 176.300 -0.174 0.000 1.062 495 M CA 0.927 56.160 55.300 -0.111 0.000 1.105 495 M CB -0.963 31.571 32.600 -0.110 0.000 1.385 495 M HN 0.261 nan 8.290 nan 0.000 0.417 496 L N -0.384 120.679 121.223 -0.266 0.000 2.051 496 L HA -0.240 4.095 4.340 -0.007 0.000 0.214 496 L C 1.658 178.184 176.870 -0.574 0.000 1.076 496 L CA 2.129 56.685 54.840 -0.473 0.000 0.758 496 L CB -1.140 40.509 42.059 -0.683 0.000 0.890 496 L HN 0.478 nan 8.230 nan 0.000 0.433 497 Y N -1.130 119.126 120.300 -0.073 0.000 2.544 497 Y HA 0.035 4.580 4.550 -0.007 0.000 0.286 497 Y C 2.191 178.041 175.900 -0.084 0.000 1.141 497 Y CA 0.752 58.792 58.100 -0.100 0.000 1.299 497 Y CB -0.729 37.731 38.460 -0.001 0.000 1.030 497 Y HN 0.351 nan 8.280 nan 0.000 0.543 498 N N -0.923 117.771 118.700 -0.010 0.000 2.171 498 N HA -0.170 4.565 4.740 -0.007 0.000 0.184 498 N C 1.925 177.399 175.510 -0.060 0.000 1.021 498 N CA 1.351 54.382 53.050 -0.031 0.000 0.854 498 N CB -0.502 37.955 38.487 -0.049 0.000 0.994 498 N HN 0.335 nan 8.380 nan 0.000 0.426 499 C N 0.494 119.730 119.300 -0.107 0.000 2.429 499 C HA 0.048 4.504 4.460 -0.007 0.000 0.277 499 C C 2.160 177.103 174.990 -0.079 0.000 1.262 499 C CA 0.608 59.562 59.018 -0.108 0.000 1.733 499 C CB -1.165 26.477 27.740 -0.164 0.000 2.010 499 C HN 0.419 nan 8.230 nan 0.000 0.483 500 L N 0.231 121.361 121.223 -0.154 0.000 2.418 500 L HA 0.076 4.412 4.340 -0.007 0.000 0.218 500 L C 0.915 177.770 176.870 -0.025 0.000 1.125 500 L CA 1.174 55.869 54.840 -0.242 0.000 0.835 500 L CB -0.502 41.043 42.059 -0.856 0.000 0.953 500 L HN 0.355 nan 8.230 nan 0.000 0.454 501 D N 0.386 120.797 120.400 0.018 0.000 2.735 501 D HA -0.267 4.369 4.640 -0.007 0.000 0.235 501 D C -0.496 175.947 176.300 0.238 0.000 1.175 501 D CA 0.635 54.677 54.000 0.070 0.000 0.683 501 D CB -1.188 39.611 40.800 -0.002 0.000 1.008 501 D HN 0.165 nan 8.370 nan 0.000 0.416 502 F N 0.133 120.064 119.950 -0.031 0.000 2.458 502 F HA 0.459 4.981 4.527 -0.008 0.000 0.330 502 F C -1.414 174.347 175.800 -0.065 0.000 1.082 502 F CA -2.482 55.474 58.000 -0.072 0.000 0.995 502 F CB 1.890 40.907 39.000 0.028 0.000 1.170 502 F HN -0.108 nan 8.300 nan 0.000 0.478 503 P HA 0.169 nan 4.420 nan 0.000 0.271 503 P C -1.366 175.961 177.300 0.044 0.000 1.216 503 P CA -0.016 63.097 63.100 0.022 0.000 0.771 503 P CB 1.283 32.972 31.700 -0.018 0.000 0.864 504 A N 2.797 125.632 122.820 0.025 0.000 2.427 504 A HA 0.772 5.087 4.320 -0.007 0.000 0.298 504 A C -0.307 177.267 177.584 -0.016 0.000 1.036 504 A CA -0.496 51.533 52.037 -0.013 0.000 0.701 504 A CB 1.742 20.726 19.000 -0.028 0.000 1.250 504 A HN 0.590 nan 8.150 nan 0.000 0.412 505 G N -0.264 108.521 108.800 -0.025 0.000 2.658 505 G HA2 0.810 4.766 3.960 -0.007 0.000 0.292 505 G HA3 0.810 4.766 3.960 -0.007 0.000 0.292 505 G C -0.774 174.087 174.900 -0.064 0.000 1.320 505 G CA -0.066 45.012 45.100 -0.035 0.000 0.933 505 G HN 1.971 nan 8.290 nan 0.000 0.476 506 V N -2.133 117.741 119.914 -0.066 0.000 2.823 506 V HA 0.888 5.003 4.120 -0.007 0.000 0.312 506 V C -0.834 175.219 176.094 -0.068 0.000 1.072 506 V CA -1.026 61.227 62.300 -0.078 0.000 0.937 506 V CB 1.541 33.318 31.823 -0.076 0.000 1.013 506 V HN 0.679 nan 8.190 nan 0.000 0.430 507 V N 4.321 124.184 119.914 -0.085 0.000 2.638 507 V HA 0.555 4.670 4.120 -0.007 0.000 0.306 507 V C -2.534 173.521 176.094 -0.065 0.000 1.052 507 V CA -1.652 60.604 62.300 -0.074 0.000 0.885 507 V CB 2.368 34.124 31.823 -0.111 0.000 0.999 507 V HN 0.917 nan 8.190 nan 0.000 0.424 508 P HA 0.169 nan 4.420 nan 0.000 0.276 508 P C 0.395 177.668 177.300 -0.044 0.000 1.235 508 P CA 0.206 63.282 63.100 -0.040 0.000 0.772 508 P CB 1.625 33.317 31.700 -0.013 0.000 0.871 509 V N 0.173 120.053 119.914 -0.056 0.000 3.473 509 V HA 0.321 4.437 4.120 -0.007 0.000 0.253 509 V C 0.590 176.658 176.094 -0.043 0.000 1.340 509 V CA 0.841 63.110 62.300 -0.053 0.000 1.103 509 V CB 0.404 32.186 31.823 -0.069 0.000 0.881 509 V HN 0.617 nan 8.190 nan 0.000 0.451 510 T N 0.611 115.133 114.554 -0.054 0.000 2.711 510 T HA 0.609 4.954 4.350 -0.007 0.000 0.302 510 T C -0.900 173.753 174.700 -0.079 0.000 1.373 510 T CA 0.525 62.595 62.100 -0.050 0.000 1.000 510 T CB 1.756 70.597 68.868 -0.044 0.000 1.483 510 T HN 0.828 nan 8.240 nan 0.000 0.499 511 T N -0.485 114.028 114.554 -0.069 0.000 2.908 511 T HA 0.696 5.042 4.350 -0.007 0.000 0.290 511 T C -0.369 174.285 174.700 -0.077 0.000 1.034 511 T CA -0.714 61.325 62.100 -0.101 0.000 1.010 511 T CB 1.169 69.998 68.868 -0.064 0.000 1.068 511 T HN 0.499 nan 8.240 nan 0.000 0.481 512 V N 3.550 123.407 119.914 -0.095 0.000 2.529 512 V HA 0.299 4.415 4.120 -0.007 0.000 0.292 512 V C 1.461 177.530 176.094 -0.041 0.000 1.028 512 V CA -0.150 62.108 62.300 -0.070 0.000 1.074 512 V CB -0.046 31.727 31.823 -0.085 0.000 0.958 512 V HN 1.202 nan 8.190 nan 0.000 0.481 513 T N 2.501 117.038 114.554 -0.028 0.000 2.847 513 T HA 0.554 4.900 4.350 -0.007 0.000 0.279 513 T C 1.367 176.059 174.700 -0.013 0.000 0.984 513 T CA -0.100 61.991 62.100 -0.015 0.000 0.988 513 T CB 1.571 70.433 68.868 -0.009 0.000 1.040 513 T HN 0.724 nan 8.240 nan 0.000 0.528 514 A N -0.080 122.736 122.820 -0.006 0.000 1.908 514 A HA -0.111 4.204 4.320 -0.007 0.000 0.218 514 A C 2.292 179.873 177.584 -0.005 0.000 1.181 514 A CA 2.012 54.046 52.037 -0.005 0.000 0.627 514 A CB -1.177 17.822 19.000 -0.001 0.000 0.818 514 A HN 1.035 nan 8.150 nan 0.000 0.445 515 E N -0.330 119.868 120.200 -0.003 0.000 2.047 515 E HA -0.226 4.119 4.350 -0.007 0.000 0.191 515 E C 1.315 177.915 176.600 -0.001 0.000 0.987 515 E CA 1.249 57.649 56.400 -0.000 0.000 0.799 515 E CB -0.139 29.562 29.700 0.002 0.000 0.752 515 E HN 0.534 nan 8.360 nan 0.000 0.449 516 D N 0.549 120.945 120.400 -0.006 0.000 2.123 516 D HA -0.184 4.451 4.640 -0.007 0.000 0.196 516 D C 1.582 177.876 176.300 -0.010 0.000 0.992 516 D CA 1.474 55.470 54.000 -0.007 0.000 0.833 516 D CB -0.360 40.429 40.800 -0.019 0.000 0.954 516 D HN 0.265 nan 8.370 nan 0.000 0.455 517 D N -0.234 120.156 120.400 -0.018 0.000 2.123 517 D HA 0.002 4.637 4.640 -0.007 0.000 0.200 517 D C 1.959 178.250 176.300 -0.014 0.000 0.976 517 D CA 1.250 55.234 54.000 -0.025 0.000 0.831 517 D CB 0.019 40.801 40.800 -0.030 0.000 0.974 517 D HN 0.082 nan 8.370 nan 0.000 0.469 518 A N 0.067 122.884 122.820 -0.006 0.000 1.940 518 A HA -0.216 4.100 4.320 -0.007 0.000 0.219 518 A C 2.079 179.669 177.584 0.009 0.000 1.176 518 A CA 1.381 53.419 52.037 0.000 0.000 0.631 518 A CB -0.622 18.380 19.000 0.002 0.000 0.814 518 A HN 0.311 nan 8.150 nan 0.000 0.446 519 Q N -1.366 118.442 119.800 0.014 0.000 2.369 519 Q HA 0.006 4.342 4.340 -0.007 0.000 0.206 519 Q C 1.819 177.849 176.000 0.049 0.000 0.963 519 Q CA 0.562 56.382 55.803 0.028 0.000 0.894 519 Q CB -0.107 28.648 28.738 0.029 0.000 0.965 519 Q HN 0.515 nan 8.270 nan 0.000 0.475 520 M N 0.469 120.089 119.600 0.033 0.000 2.279 520 M HA -0.156 4.320 4.480 -0.007 0.000 0.264 520 M C 1.522 177.857 176.300 0.058 0.000 1.062 520 M CA 1.303 56.627 55.300 0.039 0.000 1.099 520 M CB -0.459 32.119 32.600 -0.037 0.000 1.394 520 M HN 0.188 nan 8.290 nan 0.000 0.426 521 E N 0.053 120.274 120.200 0.036 0.000 2.219 521 E HA -0.156 4.190 4.350 -0.007 0.000 0.198 521 E C 1.806 178.440 176.600 0.056 0.000 0.998 521 E CA 1.104 57.526 56.400 0.036 0.000 0.818 521 E CB -0.241 29.472 29.700 0.021 0.000 0.741 521 E HN 0.514 nan 8.360 nan 0.000 0.477 522 L N -0.104 121.159 121.223 0.066 0.000 2.640 522 L HA 0.112 4.447 4.340 -0.007 0.000 0.230 522 L C 0.568 177.480 176.870 0.071 0.000 1.123 522 L CA -0.495 54.378 54.840 0.055 0.000 0.900 522 L CB -0.008 42.069 42.059 0.030 0.000 1.146 522 L HN 0.019 nan 8.230 nan 0.000 0.484 523 Y N 1.663 121.948 120.300 -0.025 0.000 2.717 523 Y HA -0.141 4.405 4.550 -0.007 0.000 0.330 523 Y C 1.249 177.124 175.900 -0.042 0.000 1.217 523 Y CA 0.918 58.994 58.100 -0.040 0.000 1.506 523 Y CB 0.444 38.884 38.460 -0.033 0.000 1.268 523 Y HN -0.027 nan 8.280 nan 0.000 0.561 524 K N 4.068 124.291 120.400 -0.295 0.000 2.435 524 K HA 0.268 4.583 4.320 -0.007 0.000 0.199 524 K C 0.483 176.940 176.600 -0.238 0.000 1.153 524 K CA 0.523 56.712 56.287 -0.163 0.000 0.974 524 K CB 0.636 33.058 32.500 -0.130 0.000 0.997 524 K HN 1.002 nan 8.250 nan 0.000 0.547 525 G N 0.930 109.351 108.800 -0.633 0.000 2.787 525 G HA2 -0.274 3.682 3.960 -0.007 0.000 0.685 525 G HA3 -0.274 3.682 3.960 -0.007 0.000 0.685 525 G C -0.141 174.523 174.900 -0.393 0.000 1.437 525 G CA -0.418 44.406 45.100 -0.459 0.000 0.872 525 G HN 0.135 nan 8.290 nan 0.000 0.566 526 Y N -0.125 120.053 120.300 -0.202 0.000 2.517 526 Y HA 0.367 4.912 4.550 -0.008 0.000 0.281 526 Y C 2.338 177.869 175.900 -0.615 0.000 1.125 526 Y CA 1.300 59.125 58.100 -0.459 0.000 1.283 526 Y CB 0.001 38.057 38.460 -0.674 0.000 1.042 526 Y HN 0.471 nan 8.280 nan 0.000 0.547 527 F N -2.156 117.831 119.950 0.062 0.000 2.667 527 F HA 0.378 4.901 4.527 -0.008 0.000 0.288 527 F C 1.916 177.747 175.800 0.051 0.000 1.086 527 F CA 0.402 58.424 58.000 0.036 0.000 1.297 527 F CB 0.099 39.089 39.000 -0.016 0.000 1.059 527 F HN -0.112 nan 8.300 nan 0.000 0.624 528 G N 1.912 110.834 108.800 0.202 0.000 2.198 528 G HA2 -0.275 3.681 3.960 -0.007 0.000 0.260 528 G HA3 -0.275 3.681 3.960 -0.007 0.000 0.260 528 G C -0.438 174.522 174.900 0.099 0.000 1.025 528 G CA 0.474 45.655 45.100 0.136 0.000 0.769 528 G HN 0.441 nan 8.290 nan 0.000 0.507 529 D N -1.121 119.288 120.400 0.015 0.000 2.466 529 D HA 0.521 5.157 4.640 -0.007 0.000 0.262 529 D C 1.490 177.626 176.300 -0.274 0.000 1.177 529 D CA -0.900 52.887 54.000 -0.354 0.000 1.035 529 D CB 0.306 40.802 40.800 -0.506 0.000 1.105 529 D HN 0.079 nan 8.370 nan 0.000 0.551 530 I N -0.649 119.669 120.570 -0.420 0.000 2.335 530 I HA -0.168 3.997 4.170 -0.007 0.000 0.251 530 I C 1.247 177.413 176.117 0.083 0.000 1.129 530 I CA 1.124 62.325 61.300 -0.164 0.000 1.402 530 I CB -0.147 37.749 38.000 -0.173 0.000 1.069 530 I HN 0.390 nan 8.210 nan 0.000 0.424 531 W N 0.728 121.956 121.300 -0.119 0.000 2.363 531 W HA -0.148 4.507 4.660 -0.007 0.000 0.296 531 W C 2.364 178.888 176.519 0.009 0.000 1.212 531 W CA 0.856 58.165 57.345 -0.060 0.000 1.260 531 W CB -1.456 27.954 29.460 -0.084 0.000 1.131 531 W HN 0.181 nan 8.180 nan 0.000 0.530 532 D N -0.186 120.372 120.400 0.264 0.000 2.117 532 D HA -0.111 4.525 4.640 -0.007 0.000 0.198 532 D C 2.297 178.707 176.300 0.183 0.000 0.982 532 D CA 1.243 55.391 54.000 0.247 0.000 0.828 532 D CB -0.548 40.386 40.800 0.222 0.000 0.967 532 D HN 0.106 nan 8.370 nan 0.000 0.464 533 I N 0.746 121.384 120.570 0.113 0.000 2.179 533 I HA -0.221 3.944 4.170 -0.007 0.000 0.242 533 I C 2.184 178.328 176.117 0.045 0.000 1.088 533 I CA 0.548 61.890 61.300 0.069 0.000 1.357 533 I CB -0.049 37.969 38.000 0.030 0.000 1.051 533 I HN -0.009 nan 8.210 nan 0.000 0.409 534 I N 0.280 120.881 120.570 0.051 0.000 2.179 534 I HA -0.264 3.901 4.170 -0.007 0.000 0.242 534 I C 2.557 178.670 176.117 -0.006 0.000 1.088 534 I CA 1.532 62.846 61.300 0.022 0.000 1.357 534 I CB -1.079 36.943 38.000 0.037 0.000 1.051 534 I HN 0.254 nan 8.210 nan 0.000 0.409 535 L N 1.178 122.410 121.223 0.015 0.000 2.083 535 L HA -0.209 4.126 4.340 -0.007 0.000 0.209 535 L C 2.569 179.333 176.870 -0.176 0.000 1.083 535 L CA 1.880 56.697 54.840 -0.040 0.000 0.752 535 L CB -0.728 41.349 42.059 0.030 0.000 0.899 535 L HN 0.144 nan 8.230 nan 0.000 0.433 536 K N -0.391 119.902 120.400 -0.178 0.000 2.009 536 K HA -0.272 4.043 4.320 -0.007 0.000 0.210 536 K C 2.357 178.853 176.600 -0.173 0.000 1.049 536 K CA 1.951 58.074 56.287 -0.273 0.000 0.929 536 K CB -0.237 32.235 32.500 -0.047 0.000 0.714 536 K HN 0.273 nan 8.250 nan 0.000 0.440 537 K N -0.135 120.211 120.400 -0.090 0.000 2.097 537 K HA -0.096 4.220 4.320 -0.007 0.000 0.206 537 K C 1.886 178.433 176.600 -0.088 0.000 1.049 537 K CA 1.159 57.403 56.287 -0.070 0.000 0.933 537 K CB -0.121 32.355 32.500 -0.041 0.000 0.717 537 K HN 0.266 nan 8.250 nan 0.000 0.442 538 A N 0.635 123.396 122.820 -0.098 0.000 2.067 538 A HA -0.067 4.249 4.320 -0.007 0.000 0.219 538 A C 1.790 179.292 177.584 -0.137 0.000 1.158 538 A CA 1.089 53.064 52.037 -0.104 0.000 0.661 538 A CB -0.230 18.715 19.000 -0.092 0.000 0.801 538 A HN 0.317 nan 8.150 nan 0.000 0.452 539 M N -0.582 118.917 119.600 -0.167 0.000 2.428 539 M HA 0.112 4.588 4.480 -0.007 0.000 0.239 539 M C -0.005 176.203 176.300 -0.152 0.000 1.121 539 M CA 0.274 55.462 55.300 -0.186 0.000 1.019 539 M CB 0.193 32.654 32.600 -0.233 0.000 1.485 539 M HN 0.152 nan 8.290 nan 0.000 0.484 540 K N 1.464 121.791 120.400 -0.123 0.000 2.090 540 K HA 0.229 4.544 4.320 -0.007 0.000 0.250 540 K C 0.139 176.694 176.600 -0.076 0.000 1.004 540 K CA -0.510 55.723 56.287 -0.089 0.000 0.919 540 K CB 0.515 32.973 32.500 -0.069 0.000 1.045 540 K HN 0.175 nan 8.250 nan 0.000 0.471 541 N N 0.653 119.318 118.700 -0.057 0.000 2.746 541 N HA -0.138 4.598 4.740 -0.007 0.000 0.250 541 N C -0.835 174.643 175.510 -0.053 0.000 1.055 541 N CA 0.582 53.605 53.050 -0.045 0.000 0.699 541 N CB -1.167 37.297 38.487 -0.037 0.000 0.919 541 N HN 0.436 nan 8.380 nan 0.000 0.548 542 S N -0.867 114.796 115.700 -0.062 0.000 2.846 542 S HA 0.147 4.613 4.470 -0.007 0.000 0.249 542 S C 0.637 175.198 174.600 -0.065 0.000 1.028 542 S CA -0.358 57.794 58.200 -0.080 0.000 1.043 542 S CB 1.333 64.461 63.200 -0.120 0.000 0.990 542 S HN 0.236 nan 8.310 nan 0.000 0.564 543 V N 2.400 122.292 119.914 -0.037 0.000 2.584 543 V HA 0.279 4.395 4.120 -0.007 0.000 0.303 543 V C 1.531 177.623 176.094 -0.004 0.000 1.035 543 V CA 1.479 63.766 62.300 -0.021 0.000 1.172 543 V CB -0.135 31.684 31.823 -0.006 0.000 0.896 543 V HN 0.716 nan 8.190 nan 0.000 0.486 544 G N 3.837 112.631 108.800 -0.011 0.000 2.195 544 G HA2 -0.212 3.744 3.960 -0.007 0.000 0.246 544 G HA3 -0.212 3.744 3.960 -0.007 0.000 0.246 544 G C 0.091 174.956 174.900 -0.058 0.000 0.984 544 G CA 0.030 45.148 45.100 0.029 0.000 0.633 544 G HN 0.571 nan 8.290 nan 0.000 0.525 545 L N 2.626 123.750 121.223 -0.165 0.000 2.417 545 L HA 0.389 4.724 4.340 -0.007 0.000 0.268 545 L C -1.367 175.211 176.870 -0.487 0.000 1.158 545 L CA -1.894 52.706 54.840 -0.401 0.000 0.819 545 L CB 0.678 42.561 42.059 -0.293 0.000 1.112 545 L HN 0.015 nan 8.230 nan 0.000 0.458 546 P HA 0.207 nan 4.420 nan 0.000 0.274 546 P C -0.988 176.144 177.300 -0.280 0.000 1.237 546 P CA -0.245 62.551 63.100 -0.505 0.000 0.793 546 P CB 1.612 32.947 31.700 -0.609 0.000 0.977 547 V N 0.882 120.691 119.914 -0.175 0.000 2.841 547 V HA 0.683 4.799 4.120 -0.007 0.000 0.310 547 V C 0.055 176.102 176.094 -0.079 0.000 1.090 547 V CA -0.738 61.498 62.300 -0.107 0.000 0.930 547 V CB 1.846 33.610 31.823 -0.098 0.000 1.014 547 V HN 0.835 nan 8.190 nan 0.000 0.425 548 A N 3.243 126.029 122.820 -0.056 0.000 2.346 548 A HA 1.012 5.327 4.320 -0.007 0.000 0.313 548 A C -0.490 177.047 177.584 -0.079 0.000 1.140 548 A CA -0.497 51.504 52.037 -0.061 0.000 0.826 548 A CB 2.015 20.990 19.000 -0.041 0.000 1.332 548 A HN 1.509 nan 8.150 nan 0.000 0.457 549 V N -1.727 118.129 119.914 -0.097 0.000 3.103 549 V HA 0.780 4.895 4.120 -0.007 0.000 0.318 549 V C -0.433 175.590 176.094 -0.119 0.000 1.114 549 V CA -0.719 61.512 62.300 -0.115 0.000 1.020 549 V CB 1.414 33.159 31.823 -0.130 0.000 1.085 549 V HN 1.022 nan 8.190 nan 0.000 0.446 550 Q N 0.170 119.903 119.800 -0.113 0.000 2.337 550 Q HA 0.608 4.944 4.340 -0.007 0.000 0.266 550 Q C -1.744 174.205 176.000 -0.085 0.000 1.023 550 Q CA -0.548 55.198 55.803 -0.095 0.000 0.829 550 Q CB 2.032 30.736 28.738 -0.057 0.000 1.306 550 Q HN 0.985 nan 8.270 nan 0.000 0.449 551 C N 3.533 122.789 119.300 -0.074 0.000 2.319 551 C HA 0.709 5.165 4.460 -0.007 0.000 0.323 551 C C -0.505 174.542 174.990 0.095 0.000 1.277 551 C CA -0.645 58.399 59.018 0.043 0.000 1.517 551 C CB 0.681 28.339 27.740 -0.135 0.000 2.206 551 C HN 0.620 nan 8.230 nan 0.000 0.486 552 V N 2.876 122.885 119.914 0.159 0.000 2.680 552 V HA 0.925 5.041 4.120 -0.007 0.000 0.309 552 V C 0.295 176.555 176.094 0.277 0.000 1.052 552 V CA -0.176 62.189 62.300 0.107 0.000 0.908 552 V CB 1.697 33.464 31.823 -0.093 0.000 1.001 552 V HN 1.075 nan 8.190 nan 0.000 0.431 553 A N 3.467 126.383 122.820 0.160 0.000 2.437 553 A HA 0.920 5.236 4.320 -0.007 0.000 0.288 553 A C -0.705 176.642 177.584 -0.395 0.000 1.201 553 A CA -0.842 51.230 52.037 0.059 0.000 0.795 553 A CB 1.038 20.057 19.000 0.031 0.000 1.359 553 A HN 0.734 nan 8.150 nan 0.000 0.435 554 L N 0.588 121.402 121.223 -0.682 0.000 2.476 554 L HA 0.279 4.614 4.340 -0.007 0.000 0.255 554 L C -2.037 174.409 176.870 -0.706 0.000 1.218 554 L CA -1.670 52.500 54.840 -1.118 0.000 0.819 554 L CB 0.199 41.689 42.059 -0.949 0.000 1.119 554 L HN 0.385 nan 8.230 nan 0.000 0.485 555 P HA -0.109 nan 4.420 nan 0.000 0.265 555 P C -0.814 176.296 177.300 -0.317 0.000 1.187 555 P CA 0.420 63.183 63.100 -0.560 0.000 0.766 555 P CB 0.108 31.489 31.700 -0.531 0.000 0.820 556 W N -0.075 121.160 121.300 -0.109 0.000 2.303 556 W HA -0.187 4.468 4.660 -0.008 0.000 0.267 556 W C 0.444 176.911 176.519 -0.085 0.000 1.054 556 W CA 0.003 57.302 57.345 -0.077 0.000 0.501 556 W CB -2.202 27.212 29.460 -0.078 0.000 2.076 556 W HN 0.360 nan 8.180 nan 0.000 1.317 557 Q N 0.621 120.430 119.800 0.016 0.000 2.735 557 Q HA 0.148 4.484 4.340 -0.007 0.000 0.380 557 Q C 1.121 177.125 176.000 0.007 0.000 1.060 557 Q CA 0.312 56.113 55.803 -0.004 0.000 1.025 557 Q CB 0.503 29.207 28.738 -0.055 0.000 1.350 557 Q HN 0.329 nan 8.270 nan 0.000 0.424 558 E N 0.662 120.881 120.200 0.031 0.000 2.110 558 E HA -0.187 4.158 4.350 -0.007 0.000 0.193 558 E C 1.243 177.871 176.600 0.046 0.000 0.988 558 E CA 1.194 57.625 56.400 0.051 0.000 0.804 558 E CB 0.308 30.063 29.700 0.092 0.000 0.745 558 E HN 0.389 nan 8.360 nan 0.000 0.458 559 E N -0.021 120.151 120.200 -0.046 0.000 2.106 559 E HA -0.139 4.206 4.350 -0.007 0.000 0.192 559 E C 1.777 178.430 176.600 0.089 0.000 0.984 559 E CA 0.559 56.898 56.400 -0.102 0.000 0.806 559 E CB -0.147 29.349 29.700 -0.340 0.000 0.750 559 E HN 0.114 nan 8.360 nan 0.000 0.458 560 L N 0.227 121.486 121.223 0.061 0.000 2.109 560 L HA -0.061 4.275 4.340 -0.007 0.000 0.207 560 L C 2.132 179.097 176.870 0.158 0.000 1.086 560 L CA 1.411 56.308 54.840 0.094 0.000 0.760 560 L CB -0.699 41.389 42.059 0.049 0.000 0.910 560 L HN 0.304 nan 8.230 nan 0.000 0.437 561 C N -0.725 118.662 119.300 0.146 0.000 2.429 561 C HA -0.144 4.312 4.460 -0.007 0.000 0.277 561 C C 2.760 177.878 174.990 0.212 0.000 1.262 561 C CA 0.955 60.086 59.018 0.189 0.000 1.733 561 C CB -1.030 26.783 27.740 0.120 0.000 2.010 561 C HN 0.599 nan 8.230 nan 0.000 0.483 562 L N 0.705 122.058 121.223 0.216 0.000 2.046 562 L HA -0.104 4.231 4.340 -0.007 0.000 0.208 562 L C 3.033 180.147 176.870 0.407 0.000 1.077 562 L CA 1.576 56.590 54.840 0.290 0.000 0.747 562 L CB -0.846 41.372 42.059 0.266 0.000 0.896 562 L HN 0.357 nan 8.230 nan 0.000 0.432 563 R N 0.486 121.214 120.500 0.379 0.000 2.091 563 R HA -0.241 4.094 4.340 -0.007 0.000 0.238 563 R C 2.327 178.741 176.300 0.191 0.000 1.136 563 R CA 1.962 58.174 56.100 0.186 0.000 0.959 563 R CB -0.794 29.575 30.300 0.115 0.000 0.856 563 R HN 0.370 nan 8.270 nan 0.000 0.437 564 F N 0.792 120.763 119.950 0.035 0.000 2.113 564 F HA -0.204 4.318 4.527 -0.008 0.000 0.297 564 F C 2.410 178.201 175.800 -0.015 0.000 1.103 564 F CA 1.372 59.360 58.000 -0.021 0.000 1.248 564 F CB -0.055 38.931 39.000 -0.023 0.000 0.999 564 F HN -0.017 nan 8.300 nan 0.000 0.475 565 M N 0.075 119.632 119.600 -0.072 0.000 2.080 565 M HA -0.261 4.215 4.480 -0.007 0.000 0.260 565 M C 2.340 178.591 176.300 -0.083 0.000 1.068 565 M CA 1.901 57.098 55.300 -0.173 0.000 1.109 565 M CB -0.579 31.995 32.600 -0.042 0.000 1.342 565 M HN 0.111 nan 8.290 nan 0.000 0.405 566 R N 0.388 120.912 120.500 0.040 0.000 2.103 566 R HA -0.243 4.092 4.340 -0.007 0.000 0.242 566 R C 2.000 178.296 176.300 -0.006 0.000 1.142 566 R CA 2.142 58.270 56.100 0.047 0.000 0.960 566 R CB -0.166 30.174 30.300 0.065 0.000 0.858 566 R HN 0.256 nan 8.270 nan 0.000 0.439 567 E N -0.182 120.012 120.200 -0.010 0.000 2.051 567 E HA -0.140 4.205 4.350 -0.007 0.000 0.192 567 E C 1.871 178.431 176.600 -0.066 0.000 0.991 567 E CA 1.666 58.063 56.400 -0.006 0.000 0.799 567 E CB -0.142 29.583 29.700 0.042 0.000 0.748 567 E HN 0.191 nan 8.360 nan 0.000 0.449 568 V N 1.030 120.835 119.914 -0.182 0.000 2.332 568 V HA -0.265 3.850 4.120 -0.007 0.000 0.248 568 V C 2.452 178.475 176.094 -0.117 0.000 1.055 568 V CA 2.287 64.462 62.300 -0.209 0.000 1.038 568 V CB -0.605 30.990 31.823 -0.380 0.000 0.651 568 V HN 0.419 nan 8.190 nan 0.000 0.450 569 E N -0.205 119.939 120.200 -0.093 0.000 2.051 569 E HA -0.328 4.017 4.350 -0.007 0.000 0.192 569 E C 2.257 178.844 176.600 -0.021 0.000 0.991 569 E CA 1.733 58.106 56.400 -0.045 0.000 0.799 569 E CB -0.067 29.621 29.700 -0.020 0.000 0.748 569 E HN 0.568 nan 8.360 nan 0.000 0.449 570 Q N 0.535 120.328 119.800 -0.013 0.000 2.119 570 Q HA -0.076 4.259 4.340 -0.007 0.000 0.201 570 Q C 2.057 178.058 176.000 0.002 0.000 0.972 570 Q CA 1.369 57.173 55.803 0.002 0.000 0.847 570 Q CB -0.113 28.631 28.738 0.010 0.000 0.903 570 Q HN 0.395 nan 8.270 nan 0.000 0.433 571 L N -1.049 120.171 121.223 -0.004 0.000 2.270 571 L HA 0.012 4.348 4.340 -0.007 0.000 0.210 571 L C 2.007 178.872 176.870 -0.009 0.000 1.104 571 L CA 0.424 55.264 54.840 0.001 0.000 0.804 571 L CB -0.200 41.864 42.059 0.008 0.000 0.937 571 L HN 0.264 nan 8.230 nan 0.000 0.450 572 M N -1.103 118.484 119.600 -0.022 0.000 2.657 572 M HA 0.107 4.582 4.480 -0.007 0.000 0.262 572 M C 0.769 177.061 176.300 -0.013 0.000 1.213 572 M CA 0.748 56.033 55.300 -0.024 0.000 1.182 572 M CB -0.316 32.257 32.600 -0.044 0.000 1.303 572 M HN 0.148 nan 8.290 nan 0.000 0.501 573 T N 0.856 115.405 114.554 -0.009 0.000 3.149 573 T HA 0.622 4.967 4.350 -0.007 0.000 0.373 573 T C -2.523 172.183 174.700 0.011 0.000 1.364 573 T CA -1.181 60.922 62.100 0.005 0.000 1.110 573 T CB 0.854 69.729 68.868 0.011 0.000 1.127 573 T HN 0.066 nan 8.240 nan 0.000 0.576 574 P HA 0.000 nan 4.420 nan 0.000 0.216 574 P CA 0.000 63.109 63.100 0.015 0.000 0.800 574 P CB 0.000 31.707 31.700 0.012 0.000 0.726