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 3nbj_1_C DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPFGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.300 177.300 -0.000 0.000 1.155 18 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 18 P CB 0.000 31.696 31.700 -0.006 0.000 0.726 19 A N 2.027 124.847 122.820 -0.001 0.000 2.488 19 A HA 0.382 4.707 4.320 0.008 0.000 0.249 19 A C 0.560 178.149 177.584 0.008 0.000 1.083 19 A CA -0.119 51.920 52.037 0.004 0.000 0.768 19 A CB -0.026 18.977 19.000 0.005 0.000 1.017 19 A HN 0.461 nan 8.150 nan 0.000 0.496 20 R N 2.533 123.039 120.500 0.009 0.000 2.590 20 R HA 0.274 4.619 4.340 0.008 0.000 0.274 20 R C -1.871 174.441 176.300 0.019 0.000 1.061 20 R CA -0.871 55.234 56.100 0.007 0.000 1.081 20 R CB 0.103 30.402 30.300 -0.001 0.000 0.984 20 R HN 0.654 nan 8.270 nan 0.000 0.448 21 P HA 0.048 nan 4.420 nan 0.000 0.274 21 P C -0.371 176.969 177.300 0.067 0.000 1.256 21 P CA -0.216 62.916 63.100 0.054 0.000 0.795 21 P CB 0.932 32.674 31.700 0.069 0.000 1.038 22 A N 0.193 123.078 122.820 0.109 0.000 2.066 22 A HA -0.074 4.251 4.320 0.008 0.000 0.218 22 A C 0.959 178.655 177.584 0.186 0.000 1.157 22 A CA 1.235 53.354 52.037 0.136 0.000 0.670 22 A CB -0.973 18.115 19.000 0.147 0.000 0.804 22 A HN 0.793 nan 8.150 nan 0.000 0.453 23 H N -2.459 116.662 119.070 0.086 0.000 2.771 23 H HA 0.418 4.979 4.556 0.008 0.000 0.361 23 H C -2.428 172.857 175.328 -0.071 0.000 1.108 23 H CA -1.736 54.353 56.048 0.069 0.000 1.201 23 H CB 2.060 31.938 29.762 0.194 0.000 1.681 23 H HN -0.121 nan 8.280 nan 0.000 0.534 24 P HA -0.136 nan 4.420 nan 0.000 0.220 24 P C 0.686 177.984 177.300 -0.002 0.000 1.144 24 P CA 1.220 64.180 63.100 -0.233 0.000 0.800 24 P CB 0.297 31.668 31.700 -0.548 0.000 0.772 25 L N -2.071 119.259 121.223 0.178 0.000 2.607 25 L HA 0.141 4.486 4.340 0.008 0.000 0.228 25 L C 0.294 177.093 176.870 -0.118 0.000 1.123 25 L CA -0.196 54.521 54.840 -0.206 0.000 0.890 25 L CB -0.379 41.239 42.059 -0.734 0.000 1.103 25 L HN -0.114 nan 8.230 nan 0.000 0.468 26 D N 1.526 122.004 120.400 0.130 0.000 2.443 26 D HA 0.129 4.774 4.640 0.008 0.000 0.239 26 D C -2.034 174.372 176.300 0.177 0.000 1.136 26 D CA -1.003 53.156 54.000 0.264 0.000 0.879 26 D CB 0.658 41.599 40.800 0.234 0.000 1.195 26 D HN -0.065 nan 8.370 nan 0.000 0.443 27 P HA 0.074 nan 4.420 nan 0.000 0.271 27 P C -0.053 177.341 177.300 0.157 0.000 1.233 27 P CA -0.373 62.837 63.100 0.183 0.000 0.789 27 P CB 0.570 32.396 31.700 0.210 0.000 0.951 28 L N 0.640 121.955 121.223 0.154 0.000 2.490 28 L HA 0.080 4.425 4.340 0.008 0.000 0.274 28 L C 1.188 178.120 176.870 0.103 0.000 1.201 28 L CA 0.047 54.957 54.840 0.116 0.000 0.869 28 L CB -0.057 42.072 42.059 0.116 0.000 1.123 28 L HN 0.504 nan 8.230 nan 0.000 0.484 29 S N 0.110 115.835 115.700 0.042 0.000 2.624 29 S HA 0.108 4.583 4.470 0.008 0.000 0.263 29 S C 1.315 175.846 174.600 -0.114 0.000 1.287 29 S CA -0.180 57.994 58.200 -0.044 0.000 0.990 29 S CB 1.269 64.441 63.200 -0.047 0.000 0.950 29 S HN 0.774 nan 8.310 nan 0.000 0.561 30 T N -1.352 113.032 114.554 -0.283 0.000 2.803 30 T HA -0.110 4.245 4.350 0.008 0.000 0.269 30 T C 1.909 176.540 174.700 -0.116 0.000 1.052 30 T CA 1.154 63.121 62.100 -0.222 0.000 1.136 30 T CB -1.034 67.659 68.868 -0.293 0.000 0.864 30 T HN 0.871 nan 8.240 nan 0.000 0.467 31 A N 1.898 124.658 122.820 -0.100 0.000 1.898 31 A HA -0.031 4.294 4.320 0.008 0.000 0.216 31 A C 2.325 179.883 177.584 -0.044 0.000 1.181 31 A CA 1.428 53.427 52.037 -0.062 0.000 0.620 31 A CB -0.613 18.357 19.000 -0.050 0.000 0.819 31 A HN 0.642 nan 8.150 nan 0.000 0.442 32 E N -0.260 119.922 120.200 -0.031 0.000 2.110 32 E HA -0.138 4.217 4.350 0.008 0.000 0.193 32 E C 1.852 178.444 176.600 -0.014 0.000 0.988 32 E CA 1.115 57.509 56.400 -0.009 0.000 0.804 32 E CB -0.283 29.425 29.700 0.013 0.000 0.745 32 E HN 0.692 nan 8.360 nan 0.000 0.458 33 I N 1.044 121.602 120.570 -0.019 0.000 2.179 33 I HA -0.274 3.901 4.170 0.008 0.000 0.242 33 I C 2.475 178.539 176.117 -0.089 0.000 1.088 33 I CA 1.023 62.304 61.300 -0.032 0.000 1.357 33 I CB -0.136 37.859 38.000 -0.009 0.000 1.051 33 I HN -0.019 nan 8.210 nan 0.000 0.409 34 K N 1.521 121.870 120.400 -0.085 0.000 2.097 34 K HA -0.120 4.205 4.320 0.008 0.000 0.206 34 K C 2.009 178.556 176.600 -0.089 0.000 1.049 34 K CA 1.728 57.955 56.287 -0.101 0.000 0.933 34 K CB -0.427 32.029 32.500 -0.073 0.000 0.717 34 K HN 0.296 nan 8.250 nan 0.000 0.442 35 A N 0.339 123.124 122.820 -0.058 0.000 1.902 35 A HA -0.031 4.294 4.320 0.008 0.000 0.217 35 A C 2.352 179.910 177.584 -0.042 0.000 1.181 35 A CA 1.967 53.981 52.037 -0.039 0.000 0.623 35 A CB -0.980 18.007 19.000 -0.021 0.000 0.818 35 A HN 0.404 nan 8.150 nan 0.000 0.443 36 A N -0.222 122.569 122.820 -0.049 0.000 1.898 36 A HA -0.087 4.238 4.320 0.008 0.000 0.216 36 A C 2.453 179.977 177.584 -0.100 0.000 1.181 36 A CA 2.493 54.505 52.037 -0.041 0.000 0.620 36 A CB -1.370 17.628 19.000 -0.003 0.000 0.819 36 A HN 0.749 nan 8.150 nan 0.000 0.442 37 T N -1.984 112.436 114.554 -0.223 0.000 2.867 37 T HA -0.126 4.229 4.350 0.008 0.000 0.268 37 T C 1.653 176.284 174.700 -0.115 0.000 1.057 37 T CA 1.332 63.185 62.100 -0.413 0.000 1.136 37 T CB -0.523 67.803 68.868 -0.904 0.000 0.874 37 T HN 0.363 nan 8.240 nan 0.000 0.466 38 N N 1.451 120.103 118.700 -0.080 0.000 2.120 38 N HA -0.063 4.682 4.740 0.008 0.000 0.188 38 N C 2.083 177.610 175.510 0.028 0.000 1.024 38 N CA 1.826 54.870 53.050 -0.009 0.000 0.852 38 N CB -0.965 37.511 38.487 -0.017 0.000 1.003 38 N HN 0.504 nan 8.380 nan 0.000 0.424 39 T N 0.996 115.554 114.554 0.008 0.000 2.708 39 T HA -0.055 4.300 4.350 0.008 0.000 0.266 39 T C 2.176 176.900 174.700 0.040 0.000 1.037 39 T CA 0.954 63.064 62.100 0.017 0.000 1.146 39 T CB -0.361 68.502 68.868 -0.007 0.000 0.865 39 T HN -0.021 nan 8.240 nan 0.000 0.435 40 V N 1.439 121.373 119.914 0.034 0.000 2.358 40 V HA -0.164 3.961 4.120 0.008 0.000 0.246 40 V C 2.466 178.726 176.094 0.277 0.000 1.047 40 V CA 1.540 63.886 62.300 0.076 0.000 1.035 40 V CB -0.501 31.317 31.823 -0.008 0.000 0.658 40 V HN 0.462 nan 8.190 nan 0.000 0.452 41 K N 0.129 120.702 120.400 0.289 0.000 2.063 41 K HA -0.168 4.157 4.320 0.008 0.000 0.208 41 K C 2.411 179.113 176.600 0.170 0.000 1.048 41 K CA 1.841 58.279 56.287 0.251 0.000 0.928 41 K CB -0.338 32.288 32.500 0.210 0.000 0.713 41 K HN 0.388 nan 8.250 nan 0.000 0.442 42 S N 0.310 116.081 115.700 0.118 0.000 2.368 42 S HA -0.165 4.310 4.470 0.008 0.000 0.224 42 S C 1.720 176.340 174.600 0.033 0.000 1.029 42 S CA 1.010 59.249 58.200 0.065 0.000 0.988 42 S CB -0.367 62.863 63.200 0.050 0.000 0.838 42 S HN 0.325 nan 8.310 nan 0.000 0.462 43 Y N 1.042 121.272 120.300 -0.116 0.000 2.224 43 Y HA -0.062 4.493 4.550 0.008 0.000 0.289 43 Y C 0.709 176.349 175.900 -0.433 0.000 1.146 43 Y CA 1.181 59.094 58.100 -0.311 0.000 1.182 43 Y CB -0.137 38.041 38.460 -0.471 0.000 0.983 43 Y HN 0.194 nan 8.280 nan 0.000 0.524 44 F N 0.594 120.572 119.950 0.046 0.000 2.925 44 F HA 0.458 4.990 4.527 0.008 0.000 0.302 44 F C 0.841 176.618 175.800 -0.038 0.000 1.189 44 F CA -0.496 57.488 58.000 -0.027 0.000 1.346 44 F CB -0.798 38.212 39.000 0.016 0.000 0.954 44 F HN -0.021 nan 8.300 nan 0.000 0.506 45 A N 0.180 123.026 122.820 0.043 0.000 2.567 45 A HA 0.385 4.710 4.320 0.008 0.000 0.240 45 A C 1.579 179.181 177.584 0.031 0.000 1.053 45 A CA 0.984 53.041 52.037 0.034 0.000 0.755 45 A CB -0.549 18.446 19.000 -0.008 0.000 0.978 45 A HN 1.148 nan 8.150 nan 0.000 0.507 46 G N 1.550 110.371 108.800 0.035 0.000 2.199 46 G HA2 -0.197 3.768 3.960 0.008 0.000 0.254 46 G HA3 -0.197 3.768 3.960 0.008 0.000 0.254 46 G C 0.225 175.143 174.900 0.029 0.000 0.982 46 G CA 0.571 45.685 45.100 0.024 0.000 0.632 46 G HN 0.765 nan 8.290 nan 0.000 0.529 47 K N 0.447 120.878 120.400 0.051 0.000 2.138 47 K HA 0.451 4.776 4.320 0.008 0.000 0.263 47 K C -0.013 176.587 176.600 -0.001 0.000 0.965 47 K CA -0.835 55.471 56.287 0.032 0.000 0.868 47 K CB 1.859 34.398 32.500 0.066 0.000 1.083 47 K HN 0.261 nan 8.250 nan 0.000 0.443 48 K N 4.449 124.832 120.400 -0.029 0.000 2.183 48 K HA 0.197 4.522 4.320 0.008 0.000 0.272 48 K C -0.011 176.533 176.600 -0.093 0.000 1.113 48 K CA -0.247 56.015 56.287 -0.041 0.000 0.949 48 K CB -0.308 32.173 32.500 -0.032 0.000 1.365 48 K HN 0.606 nan 8.250 nan 0.000 0.420 49 I N 0.099 120.593 120.570 -0.127 0.000 2.750 49 I HA 0.573 4.748 4.170 0.008 0.000 0.308 49 I C -0.620 175.354 176.117 -0.238 0.000 1.016 49 I CA -0.801 60.352 61.300 -0.246 0.000 1.098 49 I CB 2.178 39.937 38.000 -0.402 0.000 1.279 49 I HN 0.420 nan 8.210 nan 0.000 0.454 50 S N 2.778 118.298 115.700 -0.300 0.000 2.548 50 S HA 0.664 5.139 4.470 0.008 0.000 0.286 50 S C -1.032 173.373 174.600 -0.325 0.000 1.098 50 S CA -0.660 57.425 58.200 -0.192 0.000 0.930 50 S CB 1.327 64.480 63.200 -0.080 0.000 1.070 50 S HN 0.496 nan 8.310 nan 0.000 0.480 51 F N 2.829 122.764 119.950 -0.026 0.000 2.404 51 F HA 0.462 4.994 4.527 0.008 0.000 0.345 51 F C 1.753 177.545 175.800 -0.013 0.000 1.110 51 F CA -0.569 57.422 58.000 -0.015 0.000 1.130 51 F CB 1.219 40.218 39.000 -0.000 0.000 1.129 51 F HN 0.835 nan 8.300 nan 0.000 0.500 52 N N 0.975 119.743 118.700 0.114 0.000 2.499 52 N HA 0.025 4.770 4.740 0.008 0.000 0.182 52 N C -0.359 175.215 175.510 0.106 0.000 1.034 52 N CA 0.707 53.803 53.050 0.075 0.000 0.882 52 N CB 0.636 39.142 38.487 0.032 0.000 1.125 52 N HN 0.551 nan 8.380 nan 0.000 0.436 53 T N 0.567 115.166 114.554 0.075 0.000 2.993 53 T HA 0.489 4.844 4.350 0.008 0.000 0.312 53 T C -1.327 173.373 174.700 0.001 0.000 1.115 53 T CA -0.476 61.584 62.100 -0.068 0.000 1.027 53 T CB 2.684 71.377 68.868 -0.292 0.000 1.116 53 T HN -0.143 nan 8.240 nan 0.000 0.464 54 V N 2.614 122.529 119.914 0.002 0.000 2.509 54 V HA 0.722 4.847 4.120 0.008 0.000 0.289 54 V C -0.203 175.941 176.094 0.084 0.000 1.026 54 V CA -0.458 61.890 62.300 0.080 0.000 0.872 54 V CB 1.581 33.446 31.823 0.070 0.000 1.017 54 V HN 1.002 nan 8.190 nan 0.000 0.436 55 T N 3.838 118.468 114.554 0.126 0.000 2.841 55 T HA 0.630 4.985 4.350 0.008 0.000 0.296 55 T C -1.253 173.583 174.700 0.226 0.000 1.166 55 T CA -0.531 61.685 62.100 0.193 0.000 1.007 55 T CB 1.637 70.633 68.868 0.213 0.000 1.253 55 T HN 0.544 nan 8.240 nan 0.000 0.511 56 L N 3.048 124.394 121.223 0.206 0.000 2.499 56 L HA 0.572 4.917 4.340 0.008 0.000 0.273 56 L C 0.197 177.158 176.870 0.151 0.000 1.195 56 L CA 0.083 55.019 54.840 0.160 0.000 0.882 56 L CB 0.388 42.526 42.059 0.131 0.000 1.133 56 L HN 0.583 nan 8.230 nan 0.000 0.483 57 R N 4.675 125.250 120.500 0.125 0.000 2.233 57 R HA 0.293 4.638 4.340 0.008 0.000 0.334 57 R C -0.560 175.764 176.300 0.040 0.000 1.037 57 R CA -0.175 55.972 56.100 0.078 0.000 0.920 57 R CB -0.171 30.184 30.300 0.092 0.000 1.137 57 R HN 0.746 nan 8.270 nan 0.000 0.492 58 E N 5.529 125.738 120.200 0.016 0.000 2.437 58 E HA 0.037 4.392 4.350 0.008 0.000 0.263 58 E C -1.837 174.769 176.600 0.009 0.000 1.030 58 E CA -1.204 55.193 56.400 -0.004 0.000 0.934 58 E CB 0.187 29.866 29.700 -0.034 0.000 0.943 58 E HN 0.558 nan 8.360 nan 0.000 0.444 59 P HA -0.003 nan 4.420 nan 0.000 0.269 59 P C -0.738 176.610 177.300 0.081 0.000 1.215 59 P CA -0.200 62.930 63.100 0.049 0.000 0.780 59 P CB 0.569 32.310 31.700 0.069 0.000 0.898 60 A N 2.516 125.384 122.820 0.079 0.000 2.555 60 A HA -0.055 4.270 4.320 0.008 0.000 0.233 60 A C 1.854 179.506 177.584 0.114 0.000 1.060 60 A CA 0.084 52.177 52.037 0.093 0.000 0.759 60 A CB -0.367 18.676 19.000 0.072 0.000 0.995 60 A HN 0.694 nan 8.150 nan 0.000 0.506 61 R N 1.010 121.558 120.500 0.080 0.000 2.080 61 R HA -0.168 4.177 4.340 0.008 0.000 0.236 61 R C 1.889 178.156 176.300 -0.056 0.000 1.137 61 R CA 2.252 58.291 56.100 -0.101 0.000 0.943 61 R CB -0.247 29.785 30.300 -0.447 0.000 0.846 61 R HN 0.841 nan 8.270 nan 0.000 0.431 62 K N -0.444 119.938 120.400 -0.030 0.000 2.057 62 K HA -0.101 4.224 4.320 0.008 0.000 0.207 62 K C 2.055 178.685 176.600 0.050 0.000 1.049 62 K CA 1.346 57.629 56.287 -0.007 0.000 0.931 62 K CB -0.122 32.378 32.500 -0.000 0.000 0.714 62 K HN 0.258 nan 8.250 nan 0.000 0.440 63 A N 0.495 123.362 122.820 0.078 0.000 1.902 63 A HA -0.220 4.105 4.320 0.008 0.000 0.217 63 A C 2.048 179.723 177.584 0.152 0.000 1.181 63 A CA 1.418 53.512 52.037 0.096 0.000 0.623 63 A CB -0.800 18.249 19.000 0.082 0.000 0.818 63 A HN 0.451 nan 8.150 nan 0.000 0.443 64 Y N 0.483 120.840 120.300 0.094 0.000 2.145 64 Y HA -0.177 4.378 4.550 0.008 0.000 0.286 64 Y C 2.017 178.070 175.900 0.255 0.000 1.145 64 Y CA 1.861 60.071 58.100 0.183 0.000 1.148 64 Y CB -0.233 38.344 38.460 0.194 0.000 0.981 64 Y HN 0.268 nan 8.280 nan 0.000 0.507 65 I N 0.028 120.701 120.570 0.172 0.000 2.286 65 I HA -0.334 3.841 4.170 0.008 0.000 0.248 65 I C 2.307 178.410 176.117 -0.024 0.000 1.115 65 I CA 1.522 62.859 61.300 0.061 0.000 1.392 65 I CB -0.488 37.542 38.000 0.050 0.000 1.065 65 I HN 0.349 nan 8.210 nan 0.000 0.418 66 Q N -0.395 119.413 119.800 0.013 0.000 2.084 66 Q HA -0.262 4.083 4.340 0.008 0.000 0.202 66 Q C 2.020 178.010 176.000 -0.017 0.000 0.978 66 Q CA 2.013 57.815 55.803 -0.002 0.000 0.844 66 Q CB -0.287 28.467 28.738 0.026 0.000 0.898 66 Q HN 0.632 nan 8.270 nan 0.000 0.426 67 W N 1.668 122.865 121.300 -0.172 0.000 2.381 67 W HA -0.144 4.521 4.660 0.008 0.000 0.301 67 W C 2.009 178.378 176.519 -0.250 0.000 1.205 67 W CA 1.126 58.350 57.345 -0.202 0.000 1.285 67 W CB 0.036 29.352 29.460 -0.241 0.000 1.133 67 W HN -0.160 nan 8.180 nan 0.000 0.521 68 K N 0.562 120.670 120.400 -0.488 0.000 2.155 68 K HA -0.121 4.204 4.320 0.008 0.000 0.203 68 K C 1.026 177.356 176.600 -0.449 0.000 1.052 68 K CA 1.891 57.748 56.287 -0.716 0.000 0.948 68 K CB -0.052 32.172 32.500 -0.459 0.000 0.728 68 K HN 0.433 nan 8.250 nan 0.000 0.448 69 E N -1.265 118.772 120.200 -0.271 0.000 2.606 69 E HA 0.059 4.414 4.350 0.008 0.000 0.224 69 E C 0.376 176.890 176.600 -0.143 0.000 0.930 69 E CA -0.060 56.233 56.400 -0.179 0.000 1.125 69 E CB 0.753 30.393 29.700 -0.099 0.000 1.123 69 E HN 0.192 nan 8.360 nan 0.000 0.522 70 Q N 0.274 119.991 119.800 -0.139 0.000 2.135 70 Q HA 0.235 4.580 4.340 0.008 0.000 0.231 70 Q C 0.500 176.442 176.000 -0.097 0.000 0.817 70 Q CA 0.131 55.878 55.803 -0.094 0.000 1.073 70 Q CB 1.503 30.207 28.738 -0.057 0.000 1.176 70 Q HN 0.317 nan 8.270 nan 0.000 0.478 71 G N 0.883 109.591 108.800 -0.154 0.000 2.233 71 G HA2 -0.305 3.660 3.960 0.008 0.000 0.270 71 G HA3 -0.305 3.660 3.960 0.008 0.000 0.270 71 G C 0.491 175.351 174.900 -0.066 0.000 1.011 71 G CA 0.050 45.069 45.100 -0.135 0.000 0.762 71 G HN 0.522 nan 8.290 nan 0.000 0.511 72 G N 0.167 108.944 108.800 -0.039 0.000 2.667 72 G HA2 0.546 4.511 3.960 0.008 0.000 0.250 72 G HA3 0.546 4.511 3.960 0.008 0.000 0.250 72 G C -1.110 173.876 174.900 0.144 0.000 1.212 72 G CA -0.187 44.942 45.100 0.047 0.000 0.874 72 G HN 0.359 nan 8.290 nan 0.000 0.561 73 P HA 0.097 nan 4.420 nan 0.000 0.272 73 P C -0.285 177.130 177.300 0.192 0.000 1.223 73 P CA -0.625 62.564 63.100 0.149 0.000 0.784 73 P CB 1.073 32.817 31.700 0.073 0.000 0.923 74 L N 4.900 126.198 121.223 0.125 0.000 2.477 74 L HA 0.223 4.568 4.340 0.008 0.000 0.272 74 L C -2.089 174.677 176.870 -0.173 0.000 1.157 74 L CA -1.444 53.288 54.840 -0.181 0.000 0.889 74 L CB -0.929 41.050 42.059 -0.133 0.000 1.158 74 L HN 0.289 nan 8.230 nan 0.000 0.473 75 P HA 0.140 nan 4.420 nan 0.000 0.267 75 P C -2.493 174.749 177.300 -0.097 0.000 1.200 75 P CA -0.682 62.346 63.100 -0.119 0.000 0.772 75 P CB -0.217 31.421 31.700 -0.103 0.000 0.855 76 P HA 0.139 nan 4.420 nan 0.000 0.268 76 P C -0.356 176.931 177.300 -0.023 0.000 1.204 76 P CA -0.013 63.072 63.100 -0.025 0.000 0.768 76 P CB 0.382 32.081 31.700 -0.002 0.000 0.842 77 R N 3.659 124.148 120.500 -0.018 0.000 2.248 77 R HA 0.326 4.671 4.340 0.008 0.000 0.337 77 R C -0.859 175.455 176.300 0.023 0.000 1.085 77 R CA 0.209 56.306 56.100 -0.005 0.000 0.934 77 R CB -0.937 29.359 30.300 -0.006 0.000 1.034 77 R HN 0.442 nan 8.270 nan 0.000 0.465 78 L N 2.722 123.968 121.223 0.039 0.000 2.342 78 L HA 0.777 5.122 4.340 0.008 0.000 0.271 78 L C -0.312 176.619 176.870 0.102 0.000 1.008 78 L CA -1.323 53.558 54.840 0.068 0.000 0.818 78 L CB 2.180 44.279 42.059 0.067 0.000 1.296 78 L HN 0.650 nan 8.230 nan 0.000 0.427 79 A N 1.821 124.722 122.820 0.135 0.000 2.330 79 A HA 0.549 4.874 4.320 0.008 0.000 0.313 79 A C -1.550 176.188 177.584 0.256 0.000 1.124 79 A CA -0.381 51.763 52.037 0.178 0.000 0.774 79 A CB 0.920 20.009 19.000 0.148 0.000 1.198 79 A HN 0.587 nan 8.150 nan 0.000 0.465 80 Y N 3.499 123.870 120.300 0.118 0.000 2.323 80 Y HA 0.587 5.142 4.550 0.009 0.000 0.331 80 Y C -0.784 175.199 175.900 0.137 0.000 1.092 80 Y CA -0.849 57.294 58.100 0.073 0.000 1.150 80 Y CB 0.748 39.234 38.460 0.044 0.000 1.200 80 Y HN 0.718 nan 8.280 nan 0.000 0.472 81 Y N 3.214 123.217 120.300 -0.496 0.000 2.545 81 Y HA 0.818 5.374 4.550 0.009 0.000 0.348 81 Y C -2.083 173.486 175.900 -0.552 0.000 1.002 81 Y CA -1.817 56.058 58.100 -0.376 0.000 1.039 81 Y CB 1.126 39.582 38.460 -0.006 0.000 1.271 81 Y HN 0.360 nan 8.280 nan 0.000 0.467 82 V N 4.976 124.795 119.914 -0.158 0.000 2.577 82 V HA 0.576 4.701 4.120 0.008 0.000 0.303 82 V C -0.284 175.803 176.094 -0.013 0.000 1.042 82 V CA -0.724 61.489 62.300 -0.145 0.000 0.872 82 V CB 1.401 33.171 31.823 -0.090 0.000 0.998 82 V HN 0.879 nan 8.190 nan 0.000 0.423 83 I N 2.522 123.045 120.570 -0.079 0.000 3.042 83 I HA 0.723 4.898 4.170 0.008 0.000 0.310 83 I C -1.604 174.373 176.117 -0.234 0.000 1.117 83 I CA -0.993 60.163 61.300 -0.240 0.000 1.003 83 I CB 2.404 40.124 38.000 -0.466 0.000 1.228 83 I HN 0.249 nan 8.210 nan 0.000 0.443 84 L N 2.229 123.303 121.223 -0.249 0.000 2.342 84 L HA 0.576 4.921 4.340 0.008 0.000 0.271 84 L C -0.498 176.237 176.870 -0.226 0.000 1.008 84 L CA -0.276 54.447 54.840 -0.193 0.000 0.818 84 L CB 1.766 43.747 42.059 -0.130 0.000 1.296 84 L HN 0.816 nan 8.230 nan 0.000 0.427 85 E N 1.122 121.211 120.200 -0.185 0.000 2.224 85 E HA 0.554 4.909 4.350 0.008 0.000 0.265 85 E C -0.678 175.858 176.600 -0.106 0.000 0.878 85 E CA -0.738 55.559 56.400 -0.170 0.000 0.759 85 E CB 2.199 31.787 29.700 -0.186 0.000 1.164 85 E HN 0.736 nan 8.360 nan 0.000 0.414 86 A N 2.666 125.435 122.820 -0.085 0.000 2.567 86 A HA 0.348 4.673 4.320 0.008 0.000 0.240 86 A C 1.241 178.798 177.584 -0.045 0.000 1.053 86 A CA 1.117 53.121 52.037 -0.056 0.000 0.755 86 A CB -0.500 18.474 19.000 -0.043 0.000 0.978 86 A HN 1.097 nan 8.150 nan 0.000 0.507 87 G N 1.571 110.350 108.800 -0.035 0.000 2.184 87 G HA2 -0.217 3.748 3.960 0.008 0.000 0.264 87 G HA3 -0.217 3.748 3.960 0.008 0.000 0.264 87 G C 0.217 175.102 174.900 -0.025 0.000 0.975 87 G CA 0.775 45.860 45.100 -0.025 0.000 0.642 87 G HN 0.757 nan 8.290 nan 0.000 0.536 88 K N 1.113 121.490 120.400 -0.038 0.000 2.221 88 K HA 0.512 4.837 4.320 0.008 0.000 0.258 88 K C -2.243 174.335 176.600 -0.038 0.000 0.944 88 K CA -1.817 54.447 56.287 -0.037 0.000 0.823 88 K CB 2.413 34.880 32.500 -0.055 0.000 1.113 88 K HN 0.191 nan 8.250 nan 0.000 0.431 89 P HA 0.168 nan 4.420 nan 0.000 0.278 89 P C 0.549 177.829 177.300 -0.034 0.000 1.238 89 P CA 0.237 63.326 63.100 -0.019 0.000 0.794 89 P CB 0.846 32.546 31.700 -0.001 0.000 0.955 90 G N 1.184 109.962 108.800 -0.036 0.000 2.550 90 G HA2 -0.119 3.846 3.960 0.008 0.000 0.277 90 G HA3 -0.119 3.846 3.960 0.008 0.000 0.277 90 G C -0.207 174.632 174.900 -0.101 0.000 1.190 90 G CA 0.546 45.609 45.100 -0.062 0.000 0.971 90 G HN 0.931 nan 8.290 nan 0.000 0.559 91 V N -3.873 115.959 119.914 -0.137 0.000 3.165 91 V HA 0.957 5.082 4.120 0.008 0.000 0.309 91 V C -0.505 175.503 176.094 -0.142 0.000 1.267 91 V CA -0.544 61.656 62.300 -0.167 0.000 1.067 91 V CB 1.956 33.633 31.823 -0.244 0.000 1.082 91 V HN 1.058 nan 8.190 nan 0.000 0.451 92 K N 0.869 121.182 120.400 -0.145 0.000 2.427 92 K HA 0.660 4.985 4.320 0.008 0.000 0.252 92 K C -1.185 175.358 176.600 -0.095 0.000 0.931 92 K CA -0.499 55.738 56.287 -0.084 0.000 0.793 92 K CB 2.405 34.836 32.500 -0.116 0.000 1.211 92 K HN 1.021 nan 8.250 nan 0.000 0.426 93 E N 0.801 120.929 120.200 -0.120 0.000 2.416 93 E HA 0.821 5.176 4.350 0.008 0.000 0.273 93 E C -0.399 175.878 176.600 -0.538 0.000 0.935 93 E CA -1.252 54.920 56.400 -0.380 0.000 0.784 93 E CB 2.271 31.895 29.700 -0.127 0.000 1.301 93 E HN 0.618 nan 8.360 nan 0.000 0.454 94 G N 0.149 108.294 108.800 -1.092 0.000 2.340 94 G HA2 0.423 4.388 3.960 0.008 0.000 0.299 94 G HA3 0.423 4.388 3.960 0.008 0.000 0.299 94 G C -1.833 172.798 174.900 -0.448 0.000 1.291 94 G CA -1.022 43.679 45.100 -0.665 0.000 0.841 94 G HN 0.405 nan 8.290 nan 0.000 0.500 95 L N -0.040 121.186 121.223 0.006 0.000 2.386 95 L HA 0.712 5.057 4.340 0.008 0.000 0.271 95 L C -0.614 176.386 176.870 0.218 0.000 0.993 95 L CA -1.160 53.774 54.840 0.157 0.000 0.819 95 L CB 2.332 44.459 42.059 0.113 0.000 1.294 95 L HN 0.336 nan 8.230 nan 0.000 0.414 96 V N 1.014 121.060 119.914 0.220 0.000 2.448 96 V HA 0.183 4.308 4.120 0.008 0.000 0.295 96 V C -0.644 175.501 176.094 0.085 0.000 1.025 96 V CA -0.495 61.885 62.300 0.133 0.000 0.859 96 V CB 1.963 33.857 31.823 0.119 0.000 0.988 96 V HN 0.704 nan 8.190 nan 0.000 0.431 97 D N 3.940 124.370 120.400 0.051 0.000 2.393 97 D HA 0.264 4.909 4.640 0.008 0.000 0.232 97 D C 1.109 177.427 176.300 0.029 0.000 1.192 97 D CA -0.132 53.890 54.000 0.038 0.000 0.882 97 D CB 0.828 41.644 40.800 0.026 0.000 1.038 97 D HN 0.453 nan 8.370 nan 0.000 0.499 98 L N 3.276 124.518 121.223 0.031 0.000 2.127 98 L HA -0.180 4.165 4.340 0.008 0.000 0.211 98 L C 2.384 179.262 176.870 0.013 0.000 1.089 98 L CA 1.229 56.082 54.840 0.022 0.000 0.757 98 L CB -0.452 41.621 42.059 0.023 0.000 0.899 98 L HN 0.534 nan 8.230 nan 0.000 0.434 99 A N 0.076 122.903 122.820 0.012 0.000 1.902 99 A HA -0.196 4.129 4.320 0.008 0.000 0.217 99 A C 2.366 179.956 177.584 0.009 0.000 1.181 99 A CA 2.067 54.109 52.037 0.008 0.000 0.623 99 A CB -0.533 18.470 19.000 0.006 0.000 0.818 99 A HN 0.512 nan 8.150 nan 0.000 0.443 100 S N -1.230 114.477 115.700 0.011 0.000 2.577 100 S HA 0.405 4.880 4.470 0.008 0.000 0.219 100 S C 0.492 175.099 174.600 0.012 0.000 0.962 100 S CA 0.122 58.329 58.200 0.012 0.000 0.921 100 S CB -0.558 62.650 63.200 0.013 0.000 0.789 100 S HN 0.587 nan 8.310 nan 0.000 0.497 101 L N 2.070 123.300 121.223 0.012 0.000 3.879 101 L HA -0.192 4.153 4.340 0.008 0.000 0.481 101 L C 0.002 176.879 176.870 0.011 0.000 1.232 101 L CA 0.517 55.363 54.840 0.010 0.000 0.736 101 L CB -2.343 39.721 42.059 0.008 0.000 1.511 101 L HN 0.720 nan 8.230 nan 0.000 0.830 102 S N -2.339 113.367 115.700 0.009 0.000 2.556 102 S HA 0.717 5.192 4.470 0.008 0.000 0.271 102 S C -0.408 174.177 174.600 -0.025 0.000 1.135 102 S CA -1.070 57.130 58.200 0.000 0.000 0.858 102 S CB 2.443 65.650 63.200 0.012 0.000 1.114 102 S HN -0.025 nan 8.310 nan 0.000 0.468 103 V N 3.170 123.024 119.914 -0.101 0.000 2.470 103 V HA 0.218 4.343 4.120 0.008 0.000 0.276 103 V C 1.189 177.209 176.094 -0.123 0.000 1.040 103 V CA -0.094 62.096 62.300 -0.184 0.000 1.008 103 V CB 0.105 31.540 31.823 -0.647 0.000 0.990 103 V HN 0.906 nan 8.190 nan 0.000 0.477 104 I N 1.156 121.703 120.570 -0.038 0.000 4.070 104 I HA 0.522 4.697 4.170 0.008 0.000 0.328 104 I C 0.584 176.698 176.117 -0.003 0.000 1.298 104 I CA 0.296 61.589 61.300 -0.012 0.000 1.173 104 I CB 0.488 38.497 38.000 0.014 0.000 1.051 104 I HN 0.621 nan 8.210 nan 0.000 0.409 105 E N 0.804 121.002 120.200 -0.004 0.000 2.335 105 E HA 0.474 4.829 4.350 0.008 0.000 0.280 105 E C -1.348 175.257 176.600 0.009 0.000 0.918 105 E CA -0.479 55.928 56.400 0.011 0.000 0.765 105 E CB 2.427 32.144 29.700 0.028 0.000 1.218 105 E HN 0.102 nan 8.360 nan 0.000 0.425 106 T N 2.905 117.478 114.554 0.031 0.000 2.942 106 T HA 0.643 4.998 4.350 0.008 0.000 0.327 106 T C -2.001 172.760 174.700 0.100 0.000 1.360 106 T CA -0.680 61.468 62.100 0.078 0.000 1.055 106 T CB 0.949 69.894 68.868 0.129 0.000 1.261 106 T HN 0.659 nan 8.240 nan 0.000 0.485 107 R N 1.822 122.383 120.500 0.102 0.000 2.634 107 R HA 0.799 5.144 4.340 0.008 0.000 0.263 107 R C -1.670 174.675 176.300 0.075 0.000 1.060 107 R CA -1.144 55.010 56.100 0.090 0.000 0.898 107 R CB 1.002 31.339 30.300 0.063 0.000 1.253 107 R HN 0.713 nan 8.270 nan 0.000 0.461 108 A N 2.587 125.448 122.820 0.067 0.000 2.290 108 A HA 0.645 4.970 4.320 0.008 0.000 0.310 108 A C -1.021 176.569 177.584 0.010 0.000 1.202 108 A CA -0.704 51.353 52.037 0.032 0.000 0.837 108 A CB 0.802 19.828 19.000 0.042 0.000 1.139 108 A HN 0.428 nan 8.150 nan 0.000 0.509 109 L N 2.857 124.064 121.223 -0.026 0.000 2.356 109 L HA 0.336 4.681 4.340 0.008 0.000 0.264 109 L C 0.942 177.786 176.870 -0.045 0.000 1.029 109 L CA 0.348 55.169 54.840 -0.033 0.000 0.897 109 L CB 0.728 42.749 42.059 -0.064 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.210 120.400 120.200 -0.016 0.000 2.358 110 E HA -0.064 4.291 4.350 0.008 0.000 0.195 110 E C 0.611 177.212 176.600 0.003 0.000 1.010 110 E CA 1.091 57.485 56.400 -0.010 0.000 0.856 110 E CB 0.307 30.009 29.700 0.004 0.000 0.795 110 E HN 0.645 nan 8.360 nan 0.000 0.504 111 T N -1.538 113.024 114.554 0.013 0.000 3.269 111 T HA 0.399 4.754 4.350 0.008 0.000 0.269 111 T C -0.145 174.586 174.700 0.053 0.000 0.993 111 T CA -0.457 61.668 62.100 0.042 0.000 0.909 111 T CB 0.337 69.239 68.868 0.057 0.000 1.115 111 T HN -0.124 nan 8.240 nan 0.000 0.543 112 V N 0.379 120.303 119.914 0.016 0.000 3.102 112 V HA 0.666 4.792 4.120 0.008 0.000 0.312 112 V C -1.778 174.313 176.094 -0.004 0.000 1.135 112 V CA -0.801 61.513 62.300 0.023 0.000 1.022 112 V CB 2.466 34.279 31.823 -0.018 0.000 1.056 112 V HN 0.364 nan 8.190 nan 0.000 0.436 113 Q N 3.784 123.608 119.800 0.039 0.000 2.347 113 Q HA 0.549 4.894 4.340 0.008 0.000 0.271 113 Q C -2.724 173.310 176.000 0.057 0.000 1.064 113 Q CA -1.861 53.959 55.803 0.028 0.000 0.800 113 Q CB 2.542 31.319 28.738 0.065 0.000 1.304 113 Q HN 0.544 nan 8.270 nan 0.000 0.438 114 P HA 0.294 nan 4.420 nan 0.000 0.281 114 P C 0.081 177.453 177.300 0.120 0.000 1.281 114 P CA -0.716 62.466 63.100 0.137 0.000 0.811 114 P CB 1.308 33.057 31.700 0.082 0.000 1.154 115 I N 0.229 120.894 120.570 0.158 0.000 2.880 115 I HA -0.086 4.089 4.170 0.008 0.000 0.296 115 I C -0.042 176.150 176.117 0.125 0.000 1.220 115 I CA 0.059 61.431 61.300 0.120 0.000 1.435 115 I CB 0.069 38.195 38.000 0.209 0.000 1.339 115 I HN 0.134 nan 8.210 nan 0.000 0.583 116 L N 7.609 128.897 121.223 0.109 0.000 2.260 116 L HA 0.248 4.593 4.340 0.008 0.000 0.289 116 L C 0.608 177.555 176.870 0.128 0.000 1.057 116 L CA -0.471 54.449 54.840 0.133 0.000 0.811 116 L CB 0.937 43.116 42.059 0.199 0.000 1.184 116 L HN 0.676 nan 8.230 nan 0.000 0.429 117 T N -0.813 113.737 114.554 -0.007 0.000 2.816 117 T HA 0.181 4.536 4.350 0.008 0.000 0.282 117 T C 1.516 176.140 174.700 -0.128 0.000 0.993 117 T CA -0.353 61.616 62.100 -0.218 0.000 0.994 117 T CB 1.446 70.105 68.868 -0.348 0.000 1.025 117 T HN 0.366 nan 8.240 nan 0.000 0.529 118 V N -0.671 119.131 119.914 -0.187 0.000 2.392 118 V HA -0.133 3.992 4.120 0.008 0.000 0.249 118 V C 2.277 178.345 176.094 -0.044 0.000 1.059 118 V CA 1.824 64.078 62.300 -0.077 0.000 1.051 118 V CB -1.304 30.487 31.823 -0.053 0.000 0.658 118 V HN 0.933 nan 8.190 nan 0.000 0.455 119 E N 0.305 120.468 120.200 -0.063 0.000 2.106 119 E HA -0.177 4.178 4.350 0.008 0.000 0.192 119 E C 2.009 178.602 176.600 -0.012 0.000 0.984 119 E CA 1.379 57.762 56.400 -0.027 0.000 0.806 119 E CB -0.222 29.462 29.700 -0.027 0.000 0.750 119 E HN 0.657 nan 8.360 nan 0.000 0.458 120 D N 0.606 120.996 120.400 -0.017 0.000 2.144 120 D HA -0.118 4.527 4.640 0.008 0.000 0.199 120 D C 2.002 178.318 176.300 0.027 0.000 0.984 120 D CA 0.901 54.905 54.000 0.007 0.000 0.834 120 D CB -0.013 40.797 40.800 0.016 0.000 0.955 120 D HN 0.182 nan 8.370 nan 0.000 0.465 121 L N -0.103 121.138 121.223 0.030 0.000 2.162 121 L HA -0.029 4.316 4.340 0.008 0.000 0.205 121 L C 2.462 179.357 176.870 0.042 0.000 1.086 121 L CA 0.340 55.208 54.840 0.047 0.000 0.778 121 L CB -0.174 41.906 42.059 0.036 0.000 0.928 121 L HN 0.045 nan 8.230 nan 0.000 0.446 122 C N -0.033 119.283 119.300 0.028 0.000 2.419 122 C HA -0.114 4.351 4.460 0.008 0.000 0.283 122 C C 3.011 178.020 174.990 0.031 0.000 1.373 122 C CA 1.286 60.324 59.018 0.032 0.000 1.781 122 C CB -0.989 26.766 27.740 0.025 0.000 1.886 122 C HN 0.667 nan 8.230 nan 0.000 0.520 123 S N -0.915 114.800 115.700 0.026 0.000 2.524 123 S HA -0.065 4.410 4.470 0.008 0.000 0.216 123 S C 1.398 176.013 174.600 0.025 0.000 0.987 123 S CA 1.102 59.314 58.200 0.021 0.000 0.909 123 S CB -0.637 62.571 63.200 0.014 0.000 0.781 123 S HN 0.561 nan 8.310 nan 0.000 0.521 124 T N 2.565 117.141 114.554 0.037 0.000 2.720 124 T HA -0.111 4.245 4.350 0.008 0.000 0.268 124 T C 1.628 176.355 174.700 0.044 0.000 1.037 124 T CA 1.741 63.868 62.100 0.045 0.000 1.144 124 T CB -0.365 68.543 68.868 0.067 0.000 0.864 124 T HN 0.661 nan 8.240 nan 0.000 0.444 125 E N 0.486 120.713 120.200 0.046 0.000 2.085 125 E HA -0.205 4.151 4.350 0.008 0.000 0.194 125 E C 2.209 178.811 176.600 0.003 0.000 0.994 125 E CA 1.155 57.574 56.400 0.032 0.000 0.801 125 E CB -0.000 29.716 29.700 0.027 0.000 0.743 125 E HN 0.281 nan 8.360 nan 0.000 0.453 126 E N -0.212 119.988 120.200 -0.000 0.000 2.152 126 E HA -0.133 4.222 4.350 0.008 0.000 0.192 126 E C 2.063 178.665 176.600 0.003 0.000 0.983 126 E CA 1.114 57.510 56.400 -0.007 0.000 0.818 126 E CB 0.015 29.712 29.700 -0.006 0.000 0.758 126 E HN 0.328 nan 8.360 nan 0.000 0.467 127 V N 0.000 119.921 119.914 0.011 0.000 2.427 127 V HA -0.188 3.937 4.120 0.008 0.000 0.248 127 V C 2.215 178.321 176.094 0.020 0.000 1.051 127 V CA 1.705 64.013 62.300 0.013 0.000 1.048 127 V CB -0.943 30.887 31.823 0.012 0.000 0.666 127 V HN 0.426 nan 8.190 nan 0.000 0.456 128 I N -1.286 119.303 120.570 0.032 0.000 2.439 128 I HA -0.038 4.137 4.170 0.008 0.000 0.251 128 I C 2.721 178.866 176.117 0.047 0.000 1.139 128 I CA 1.281 62.611 61.300 0.051 0.000 1.438 128 I CB -0.602 37.445 38.000 0.078 0.000 1.085 128 I HN 0.088 nan 8.210 nan 0.000 0.427 129 R N 1.112 121.629 120.500 0.027 0.000 2.120 129 R HA -0.128 4.217 4.340 0.008 0.000 0.234 129 R C 1.606 177.917 176.300 0.019 0.000 1.123 129 R CA 1.739 57.851 56.100 0.020 0.000 0.975 129 R CB -0.440 29.855 30.300 -0.009 0.000 0.866 129 R HN 0.448 nan 8.270 nan 0.000 0.446 130 N N 0.685 119.393 118.700 0.013 0.000 2.280 130 N HA -0.061 4.684 4.740 0.008 0.000 0.192 130 N C -0.930 174.583 175.510 0.005 0.000 1.109 130 N CA -0.007 53.048 53.050 0.008 0.000 0.855 130 N CB 0.314 38.804 38.487 0.004 0.000 0.974 130 N HN 0.028 nan 8.380 nan 0.000 0.482 131 D N -0.471 119.935 120.400 0.008 0.000 2.295 131 D HA 0.198 4.843 4.640 0.008 0.000 0.248 131 D C -1.652 174.641 176.300 -0.012 0.000 1.154 131 D CA -2.184 51.816 54.000 -0.000 0.000 0.857 131 D CB 1.488 42.291 40.800 0.006 0.000 1.117 131 D HN 0.013 nan 8.370 nan 0.000 0.468 132 P HA -0.198 nan 4.420 nan 0.000 0.215 132 P C 0.908 178.175 177.300 -0.056 0.000 1.157 132 P CA 1.558 64.638 63.100 -0.032 0.000 0.874 132 P CB 0.127 31.809 31.700 -0.029 0.000 0.790 133 A N -0.819 121.962 122.820 -0.065 0.000 1.902 133 A HA -0.169 4.156 4.320 0.008 0.000 0.217 133 A C 2.349 179.845 177.584 -0.147 0.000 1.181 133 A CA 1.895 53.869 52.037 -0.105 0.000 0.623 133 A CB -1.705 17.232 19.000 -0.105 0.000 0.818 133 A HN 0.041 nan 8.150 nan 0.000 0.443 134 V N 0.223 120.079 119.914 -0.096 0.000 2.307 134 V HA -0.249 3.876 4.120 0.008 0.000 0.245 134 V C 2.419 178.448 176.094 -0.107 0.000 1.045 134 V CA 1.921 64.166 62.300 -0.091 0.000 1.024 134 V CB -0.673 31.186 31.823 0.059 0.000 0.651 134 V HN 0.578 nan 8.190 nan 0.000 0.449 135 I N 0.188 120.727 120.570 -0.051 0.000 2.208 135 I HA -0.315 3.860 4.170 0.008 0.000 0.245 135 I C 2.599 178.669 176.117 -0.078 0.000 1.097 135 I CA 2.173 63.453 61.300 -0.034 0.000 1.363 135 I CB -0.407 37.583 38.000 -0.017 0.000 1.051 135 I HN 0.448 nan 8.210 nan 0.000 0.413 136 E N 0.605 120.738 120.200 -0.112 0.000 2.110 136 E HA -0.264 4.091 4.350 0.008 0.000 0.193 136 E C 2.198 178.683 176.600 -0.193 0.000 0.988 136 E CA 1.115 57.439 56.400 -0.127 0.000 0.804 136 E CB 0.116 29.742 29.700 -0.124 0.000 0.745 136 E HN 0.417 nan 8.360 nan 0.000 0.458 137 Q N -0.050 119.548 119.800 -0.338 0.000 2.167 137 Q HA -0.120 4.225 4.340 0.008 0.000 0.202 137 Q C 2.371 178.147 176.000 -0.375 0.000 0.970 137 Q CA 1.116 56.578 55.803 -0.567 0.000 0.855 137 Q CB -0.534 27.419 28.738 -1.307 0.000 0.911 137 Q HN 0.446 nan 8.270 nan 0.000 0.438 138 C N -0.312 118.880 119.300 -0.181 0.000 2.446 138 C HA -0.047 4.418 4.460 0.008 0.000 0.277 138 C C 2.853 177.837 174.990 -0.011 0.000 1.275 138 C CA 0.321 59.363 59.018 0.039 0.000 1.727 138 C CB -0.916 26.883 27.740 0.098 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.486 139 V N 0.678 120.565 119.914 -0.044 0.000 2.295 139 V HA -0.201 3.924 4.120 0.008 0.000 0.246 139 V C 2.398 178.464 176.094 -0.047 0.000 1.049 139 V CA 1.676 63.953 62.300 -0.039 0.000 1.024 139 V CB -0.691 31.107 31.823 -0.042 0.000 0.648 139 V HN 0.405 nan 8.190 nan 0.000 0.447 140 L N 0.156 121.337 121.223 -0.071 0.000 2.127 140 L HA -0.103 4.242 4.340 0.008 0.000 0.211 140 L C 2.290 179.138 176.870 -0.037 0.000 1.089 140 L CA 1.812 56.613 54.840 -0.064 0.000 0.757 140 L CB -0.793 41.207 42.059 -0.098 0.000 0.899 140 L HN 0.288 nan 8.230 nan 0.000 0.434 141 S N -0.812 114.876 115.700 -0.019 0.000 2.593 141 S HA 0.298 4.773 4.470 0.008 0.000 0.217 141 S C 1.358 175.942 174.600 -0.027 0.000 0.966 141 S CA 0.591 58.800 58.200 0.014 0.000 0.914 141 S CB -0.005 63.264 63.200 0.114 0.000 0.776 141 S HN 0.637 nan 8.310 nan 0.000 0.523 142 G N 1.399 110.175 108.800 -0.040 0.000 2.144 142 G HA2 -0.201 3.764 3.960 0.008 0.000 0.218 142 G HA3 -0.201 3.764 3.960 0.008 0.000 0.218 142 G C -0.084 174.764 174.900 -0.086 0.000 0.988 142 G CA -0.418 44.646 45.100 -0.060 0.000 0.659 142 G HN 0.494 nan 8.290 nan 0.000 0.522 143 I N 1.458 121.985 120.570 -0.071 0.000 2.382 143 I HA 0.318 4.493 4.170 0.008 0.000 0.286 143 I C -2.216 173.896 176.117 -0.008 0.000 1.002 143 I CA -2.513 58.748 61.300 -0.065 0.000 1.135 143 I CB 2.064 40.026 38.000 -0.062 0.000 1.288 143 I HN -0.179 nan 8.210 nan 0.000 0.448 144 P HA -0.020 nan 4.420 nan 0.000 0.266 144 P C 0.554 177.874 177.300 0.033 0.000 1.195 144 P CA 0.105 63.217 63.100 0.021 0.000 0.768 144 P CB 0.893 32.613 31.700 0.034 0.000 0.838 145 A N 3.886 126.720 122.820 0.023 0.000 2.024 145 A HA -0.220 4.105 4.320 0.008 0.000 0.220 145 A C 1.540 179.152 177.584 0.047 0.000 1.164 145 A CA 1.932 53.985 52.037 0.026 0.000 0.643 145 A CB -1.346 17.661 19.000 0.011 0.000 0.806 145 A HN 0.807 nan 8.150 nan 0.000 0.451 146 N N -1.357 117.377 118.700 0.057 0.000 2.383 146 N HA 0.031 4.776 4.740 0.008 0.000 0.192 146 N C 0.442 176.041 175.510 0.148 0.000 1.141 146 N CA 0.345 53.445 53.050 0.082 0.000 0.851 146 N CB 0.069 38.594 38.487 0.064 0.000 0.976 146 N HN 0.542 nan 8.380 nan 0.000 0.465 147 E N -0.015 120.259 120.200 0.123 0.000 2.651 147 E HA 0.176 4.531 4.350 0.008 0.000 0.208 147 E C 0.754 177.351 176.600 -0.005 0.000 0.997 147 E CA -0.326 56.131 56.400 0.094 0.000 1.020 147 E CB 0.340 30.087 29.700 0.077 0.000 1.052 147 E HN 0.338 nan 8.360 nan 0.000 0.465 148 M N 0.875 120.520 119.600 0.075 0.000 2.358 148 M HA -0.132 4.353 4.480 0.008 0.000 0.264 148 M C 1.958 178.250 176.300 -0.014 0.000 1.064 148 M CA 1.373 56.700 55.300 0.045 0.000 1.093 148 M CB -0.984 31.650 32.600 0.057 0.000 1.401 148 M HN 0.371 nan 8.290 nan 0.000 0.440 149 H N -0.990 118.069 119.070 -0.019 0.000 2.561 149 H HA 0.018 4.579 4.556 0.008 0.000 0.278 149 H C 1.048 176.311 175.328 -0.108 0.000 1.014 149 H CA 0.750 56.745 56.048 -0.088 0.000 1.211 149 H CB -0.426 29.302 29.762 -0.056 0.000 1.365 149 H HN 0.358 nan 8.280 nan 0.000 0.594 150 K N 0.893 121.000 120.400 -0.488 0.000 2.393 150 K HA 0.192 4.517 4.320 0.008 0.000 0.193 150 K C 0.070 176.696 176.600 0.044 0.000 1.026 150 K CA -0.064 56.065 56.287 -0.264 0.000 1.064 150 K CB 1.074 33.375 32.500 -0.331 0.000 0.833 150 K HN 0.010 nan 8.250 nan 0.000 0.521 151 V N 2.172 122.100 119.914 0.022 0.000 2.432 151 V HA 0.177 4.302 4.120 0.008 0.000 0.275 151 V C -0.619 175.471 176.094 -0.007 0.000 1.043 151 V CA -0.407 61.984 62.300 0.153 0.000 0.925 151 V CB 0.216 32.117 31.823 0.131 0.000 0.985 151 V HN 0.035 nan 8.190 nan 0.000 0.466 152 Y N 2.931 123.276 120.300 0.075 0.000 2.633 152 Y HA 0.787 5.342 4.550 0.008 0.000 0.339 152 Y C 0.234 176.206 175.900 0.121 0.000 1.045 152 Y CA -0.997 57.146 58.100 0.072 0.000 1.098 152 Y CB 2.068 40.546 38.460 0.031 0.000 1.296 152 Y HN 0.851 nan 8.280 nan 0.000 0.494 153 C N -0.920 118.559 119.300 0.298 0.000 3.090 153 C HA 0.583 5.048 4.460 0.008 0.000 0.347 153 C C -1.763 173.403 174.990 0.293 0.000 1.147 153 C CA -0.997 58.184 59.018 0.272 0.000 1.305 153 C CB 1.303 29.132 27.740 0.148 0.000 1.692 153 C HN 0.754 nan 8.230 nan 0.000 0.506 154 D N 4.763 125.392 120.400 0.382 0.000 2.313 154 D HA 0.446 5.091 4.640 0.008 0.000 0.239 154 D C -2.210 174.355 176.300 0.442 0.000 1.142 154 D CA -1.022 53.225 54.000 0.412 0.000 0.847 154 D CB 1.830 42.984 40.800 0.590 0.000 1.082 154 D HN 0.573 nan 8.370 nan 0.000 0.480 155 P HA 0.160 nan 4.420 nan 0.000 0.281 155 P C -0.784 176.732 177.300 0.361 0.000 1.286 155 P CA -0.422 62.844 63.100 0.277 0.000 0.772 155 P CB 0.427 32.221 31.700 0.157 0.000 0.862 156 W N 1.884 123.252 121.300 0.113 0.000 2.719 156 W HA 0.340 5.004 4.660 0.008 0.000 0.352 156 W C 0.609 177.244 176.519 0.192 0.000 1.085 156 W CA -0.204 57.257 57.345 0.192 0.000 1.187 156 W CB 1.002 30.541 29.460 0.131 0.000 1.417 156 W HN 0.244 nan 8.180 nan 0.000 0.557 157 T N -0.148 114.682 114.554 0.460 0.000 2.900 157 T HA 0.088 4.443 4.350 0.008 0.000 0.307 157 T C 0.827 175.656 174.700 0.215 0.000 1.065 157 T CA -0.444 61.783 62.100 0.212 0.000 1.105 157 T CB 0.809 69.678 68.868 0.003 0.000 0.979 157 T HN 0.538 nan 8.240 nan 0.000 0.544 158 I N 1.355 121.998 120.570 0.122 0.000 3.176 158 I HA 0.134 4.309 4.170 0.008 0.000 0.275 158 I C 1.717 177.869 176.117 0.059 0.000 1.298 158 I CA 1.226 62.576 61.300 0.082 0.000 1.445 158 I CB -1.042 36.984 38.000 0.043 0.000 1.075 158 I HN 1.173 nan 8.210 nan 0.000 0.482 159 G N 1.011 109.841 108.800 0.049 0.000 4.766 159 G HA2 -0.384 3.581 3.960 0.008 0.000 0.314 159 G HA3 -0.384 3.581 3.960 0.008 0.000 0.314 159 G C -0.050 174.954 174.900 0.173 0.000 1.427 159 G CA 0.565 45.646 45.100 -0.032 0.000 1.024 159 G HN 0.438 nan 8.290 nan 0.000 0.754 160 Y N 1.875 122.218 120.300 0.071 0.000 2.390 160 Y HA 0.571 5.126 4.550 0.009 0.000 0.324 160 Y C -2.152 173.808 175.900 0.100 0.000 1.151 160 Y CA -0.626 57.535 58.100 0.101 0.000 1.053 160 Y CB 1.975 40.491 38.460 0.093 0.000 1.277 160 Y HN 0.474 nan 8.280 nan 0.000 0.432 161 D N 5.767 125.756 120.400 -0.686 0.000 2.542 161 D HA 0.124 4.769 4.640 0.008 0.000 0.252 161 D C 0.639 176.501 176.300 -0.730 0.000 1.222 161 D CA -0.227 53.502 54.000 -0.453 0.000 0.895 161 D CB 1.412 42.225 40.800 0.022 0.000 1.207 161 D HN 0.847 nan 8.370 nan 0.000 0.558 162 E N 3.636 123.443 120.200 -0.654 0.000 2.396 162 E HA -0.197 4.158 4.350 0.008 0.000 0.200 162 E C 0.799 177.188 176.600 -0.353 0.000 1.023 162 E CA 0.654 56.824 56.400 -0.383 0.000 0.857 162 E CB -0.032 29.612 29.700 -0.094 0.000 0.775 162 E HN 0.473 nan 8.360 nan 0.000 0.525 163 R N -0.877 119.312 120.500 -0.519 0.000 2.236 163 R HA 0.038 4.383 4.340 0.008 0.000 0.208 163 R C 1.178 176.873 176.300 -1.009 0.000 1.036 163 R CA 1.114 56.679 56.100 -0.893 0.000 1.001 163 R CB 0.082 29.483 30.300 -1.499 0.000 0.896 163 R HN 0.339 nan 8.270 nan 0.000 0.464 164 W N -0.897 120.302 121.300 -0.169 0.000 2.520 164 W HA 0.301 4.966 4.660 0.008 0.000 0.272 164 W C 0.996 177.473 176.519 -0.069 0.000 0.984 164 W CA 0.431 57.713 57.345 -0.106 0.000 1.314 164 W CB -0.085 29.318 29.460 -0.095 0.000 0.945 164 W HN 0.202 nan 8.180 nan 0.000 0.596 165 G N 2.180 111.014 108.800 0.058 0.000 2.634 165 G HA2 -0.433 3.532 3.960 0.008 0.000 0.309 165 G HA3 -0.433 3.532 3.960 0.008 0.000 0.309 165 G C 0.814 175.839 174.900 0.209 0.000 1.265 165 G CA 2.335 47.535 45.100 0.168 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.647 113.029 114.554 0.205 0.000 3.092 166 T HA 0.481 4.836 4.350 0.008 0.000 0.258 166 T C 2.169 176.940 174.700 0.118 0.000 1.031 166 T CA 1.046 63.244 62.100 0.164 0.000 0.925 166 T CB 0.628 69.593 68.868 0.162 0.000 1.036 166 T HN 1.608 nan 8.240 nan 0.000 0.544 167 G N 1.741 110.620 108.800 0.131 0.000 2.462 167 G HA2 -0.030 3.935 3.960 0.008 0.000 0.220 167 G HA3 -0.030 3.935 3.960 0.008 0.000 0.220 167 G C 0.465 175.415 174.900 0.083 0.000 1.121 167 G CA 0.295 45.460 45.100 0.109 0.000 0.758 167 G HN 0.505 nan 8.290 nan 0.000 0.559 168 K N -0.654 119.791 120.400 0.076 0.000 2.464 168 K HA 0.351 4.676 4.320 0.008 0.000 0.253 168 K C -0.888 175.706 176.600 -0.010 0.000 0.933 168 K CA -0.904 55.387 56.287 0.007 0.000 0.801 168 K CB 2.442 34.905 32.500 -0.062 0.000 1.271 168 K HN -0.021 nan 8.250 nan 0.000 0.430 169 R N 3.024 123.510 120.500 -0.022 0.000 2.296 169 R HA 0.209 4.554 4.340 0.008 0.000 0.323 169 R C -0.977 175.296 176.300 -0.045 0.000 1.067 169 R CA -0.285 55.806 56.100 -0.014 0.000 0.946 169 R CB 0.232 30.525 30.300 -0.011 0.000 0.991 169 R HN 0.277 nan 8.270 nan 0.000 0.448 170 L N 2.944 124.144 121.223 -0.039 0.000 2.323 170 L HA 0.491 4.836 4.340 0.008 0.000 0.265 170 L C -0.377 176.488 176.870 -0.009 0.000 1.012 170 L CA -0.617 54.178 54.840 -0.075 0.000 0.820 170 L CB 2.085 44.050 42.059 -0.155 0.000 1.334 170 L HN 0.663 nan 8.230 nan 0.000 0.427 171 Q N 0.624 120.419 119.800 -0.008 0.000 2.421 171 Q HA 0.592 4.938 4.340 0.008 0.000 0.280 171 Q C -1.472 174.557 176.000 0.047 0.000 1.085 171 Q CA -0.835 55.007 55.803 0.064 0.000 0.807 171 Q CB 3.314 32.104 28.738 0.087 0.000 1.405 171 Q HN 0.621 nan 8.270 nan 0.000 0.419 172 Q N -0.070 119.790 119.800 0.101 0.000 2.345 172 Q HA 0.858 5.203 4.340 0.008 0.000 0.268 172 Q C -1.538 174.509 176.000 0.078 0.000 1.054 172 Q CA -1.075 54.759 55.803 0.051 0.000 0.835 172 Q CB 2.083 30.823 28.738 0.004 0.000 1.339 172 Q HN 0.521 nan 8.270 nan 0.000 0.447 173 A N 3.623 126.461 122.820 0.029 0.000 2.291 173 A HA 0.497 4.822 4.320 0.008 0.000 0.311 173 A C -0.635 176.910 177.584 -0.065 0.000 1.224 173 A CA -0.844 51.217 52.037 0.040 0.000 0.821 173 A CB 0.675 19.712 19.000 0.061 0.000 1.172 173 A HN 0.780 nan 8.150 nan 0.000 0.494 174 L N 3.823 125.000 121.223 -0.077 0.000 2.283 174 L HA 0.259 4.604 4.340 0.008 0.000 0.287 174 L C -0.374 176.392 176.870 -0.173 0.000 1.073 174 L CA -0.523 54.200 54.840 -0.194 0.000 0.822 174 L CB 0.842 42.800 42.059 -0.169 0.000 1.186 174 L HN 0.432 nan 8.230 nan 0.000 0.436 175 V N 4.298 123.973 119.914 -0.397 0.000 2.546 175 V HA 0.294 4.419 4.120 0.008 0.000 0.284 175 V C -0.361 175.376 176.094 -0.596 0.000 1.050 175 V CA -0.235 61.843 62.300 -0.371 0.000 0.981 175 V CB 0.838 32.357 31.823 -0.506 0.000 0.990 175 V HN 0.428 nan 8.190 nan 0.000 0.474 176 Y N 2.758 123.064 120.300 0.010 0.000 2.665 176 Y HA 0.655 5.210 4.550 0.008 0.000 0.336 176 Y C -0.781 175.239 175.900 0.201 0.000 1.085 176 Y CA -0.986 57.146 58.100 0.053 0.000 1.096 176 Y CB 2.001 40.418 38.460 -0.072 0.000 1.301 176 Y HN 0.584 nan 8.280 nan 0.000 0.493 177 Y N 0.981 121.442 120.300 0.268 0.000 2.457 177 Y HA 0.662 5.217 4.550 0.008 0.000 0.343 177 Y C -1.304 174.738 175.900 0.237 0.000 0.994 177 Y CA -1.307 56.933 58.100 0.234 0.000 1.031 177 Y CB 1.417 39.994 38.460 0.195 0.000 1.246 177 Y HN 0.544 nan 8.280 nan 0.000 0.449 178 R N 3.373 123.517 120.500 -0.593 0.000 2.439 178 R HA 0.288 4.633 4.340 0.008 0.000 0.310 178 R C 0.567 176.219 176.300 -1.080 0.000 0.955 178 R CA -0.032 55.611 56.100 -0.762 0.000 0.853 178 R CB 1.773 31.674 30.300 -0.664 0.000 1.171 178 R HN 0.904 nan 8.270 nan 0.000 0.449 179 S N 0.516 115.586 115.700 -1.050 0.000 2.428 179 S HA -0.089 4.386 4.470 0.008 0.000 0.230 179 S C 0.461 174.824 174.600 -0.396 0.000 1.014 179 S CA 0.681 58.539 58.200 -0.570 0.000 0.957 179 S CB 0.025 63.081 63.200 -0.240 0.000 0.784 179 S HN 0.662 nan 8.310 nan 0.000 0.499 180 D N 0.167 120.287 120.400 -0.467 0.000 2.857 180 D HA 0.231 4.876 4.640 0.008 0.000 0.227 180 D C 0.690 176.808 176.300 -0.303 0.000 1.192 180 D CA -0.549 53.281 54.000 -0.282 0.000 0.857 180 D CB 1.564 42.234 40.800 -0.217 0.000 1.645 180 D HN 0.163 nan 8.370 nan 0.000 0.482 181 E N 1.474 121.570 120.200 -0.173 0.000 2.267 181 E HA -0.218 4.137 4.350 0.008 0.000 0.197 181 E C 0.086 176.550 176.600 -0.226 0.000 0.998 181 E CA 1.044 57.353 56.400 -0.151 0.000 0.830 181 E CB 0.035 29.719 29.700 -0.026 0.000 0.751 181 E HN 0.371 nan 8.360 nan 0.000 0.491 182 D N 1.117 121.383 120.400 -0.224 0.000 2.339 182 D HA 0.036 4.681 4.640 0.008 0.000 0.217 182 D C -0.194 175.948 176.300 -0.262 0.000 1.050 182 D CA 0.185 54.041 54.000 -0.240 0.000 0.856 182 D CB -0.047 40.628 40.800 -0.209 0.000 0.922 182 D HN 0.160 nan 8.370 nan 0.000 0.518 183 D N 0.172 120.351 120.400 -0.367 0.000 2.361 183 D HA 0.004 4.649 4.640 0.008 0.000 0.239 183 D C 0.167 176.231 176.300 -0.394 0.000 1.200 183 D CA 0.307 54.021 54.000 -0.477 0.000 0.915 183 D CB 0.861 41.225 40.800 -0.728 0.000 1.170 183 D HN -0.204 nan 8.370 nan 0.000 0.444 184 S N 0.114 115.612 115.700 -0.338 0.000 2.410 184 S HA 0.047 4.522 4.470 0.008 0.000 0.304 184 S C 1.196 175.746 174.600 -0.084 0.000 1.095 184 S CA -0.680 57.412 58.200 -0.179 0.000 1.089 184 S CB 0.495 63.623 63.200 -0.121 0.000 0.968 184 S HN 0.362 nan 8.310 nan 0.000 0.480 185 Q N 4.134 123.768 119.800 -0.277 0.000 2.291 185 Q HA -0.166 4.179 4.340 0.008 0.000 0.206 185 Q C 0.402 176.286 176.000 -0.194 0.000 0.976 185 Q CA 1.580 57.227 55.803 -0.259 0.000 0.875 185 Q CB -0.593 27.838 28.738 -0.513 0.000 0.927 185 Q HN 0.885 nan 8.270 nan 0.000 0.450 186 Y N 2.123 122.412 120.300 -0.019 0.000 2.569 186 Y HA -0.118 4.438 4.550 0.009 0.000 0.293 186 Y C 2.514 178.635 175.900 0.370 0.000 1.144 186 Y CA 1.213 59.362 58.100 0.083 0.000 1.321 186 Y CB -0.105 38.395 38.460 0.067 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.882 114.083 115.700 0.441 0.000 2.558 187 S HA -0.013 4.462 4.470 0.008 0.000 0.217 187 S C 0.135 174.809 174.600 0.123 0.000 0.975 187 S CA 0.224 58.647 58.200 0.372 0.000 0.912 187 S CB -0.350 62.976 63.200 0.210 0.000 0.776 187 S HN 0.440 nan 8.310 nan 0.000 0.526 188 H N 2.257 121.398 119.070 0.118 0.000 2.336 188 H HA 0.462 5.023 4.556 0.008 0.000 0.230 188 H C -2.808 172.625 175.328 0.176 0.000 1.426 188 H CA -1.801 54.309 56.048 0.104 0.000 1.359 188 H CB 0.768 30.565 29.762 0.058 0.000 1.555 188 H HN 0.356 nan 8.280 nan 0.000 0.512 189 P HA 0.130 nan 4.420 nan 0.000 0.276 189 P C -0.112 177.032 177.300 -0.260 0.000 1.244 189 P CA -0.352 62.617 63.100 -0.218 0.000 0.801 189 P CB 2.056 33.586 31.700 -0.283 0.000 1.006 190 L N 1.280 122.275 121.223 -0.380 0.000 2.376 190 L HA 0.274 4.619 4.340 0.008 0.000 0.267 190 L C 1.631 178.293 176.870 -0.347 0.000 1.035 190 L CA -0.490 54.160 54.840 -0.316 0.000 0.800 190 L CB 0.785 42.605 42.059 -0.399 0.000 1.290 190 L HN 0.374 nan 8.230 nan 0.000 0.462 191 D N -0.767 119.543 120.400 -0.150 0.000 2.349 191 D HA -0.023 4.622 4.640 0.008 0.000 0.215 191 D C 0.078 176.515 176.300 0.229 0.000 1.016 191 D CA 0.186 54.201 54.000 0.025 0.000 0.870 191 D CB -0.076 40.775 40.800 0.085 0.000 0.917 191 D HN 0.220 nan 8.370 nan 0.000 0.524 192 F N -0.677 119.321 119.950 0.079 0.000 2.497 192 F HA 0.620 5.152 4.527 0.008 0.000 0.331 192 F C -0.545 175.278 175.800 0.038 0.000 1.060 192 F CA -2.278 55.761 58.000 0.065 0.000 0.989 192 F CB 1.118 40.132 39.000 0.024 0.000 1.245 192 F HN -0.129 nan 8.300 nan 0.000 0.486 193 C N 3.782 123.183 119.300 0.168 0.000 2.455 193 C HA 0.620 5.085 4.460 0.008 0.000 0.321 193 C C -2.833 172.247 174.990 0.150 0.000 1.102 193 C CA -2.052 56.993 59.018 0.045 0.000 1.413 193 C CB 0.224 27.937 27.740 -0.044 0.000 1.952 193 C HN 0.666 nan 8.230 nan 0.000 0.428 194 P HA 0.319 nan 4.420 nan 0.000 0.275 194 P C -0.663 176.690 177.300 0.089 0.000 1.227 194 P CA -0.086 63.104 63.100 0.151 0.000 0.781 194 P CB 0.470 32.262 31.700 0.154 0.000 0.906 195 I N 3.636 124.256 120.570 0.083 0.000 2.339 195 I HA 0.257 4.432 4.170 0.008 0.000 0.290 195 I C -0.113 175.963 176.117 -0.069 0.000 0.994 195 I CA -0.626 60.664 61.300 -0.017 0.000 1.191 195 I CB 1.285 39.233 38.000 -0.086 0.000 1.343 195 I HN 0.037 nan 8.210 nan 0.000 0.458 196 V N 5.273 125.143 119.914 -0.074 0.000 2.459 196 V HA 0.266 4.391 4.120 0.008 0.000 0.295 196 V C 0.106 176.137 176.094 -0.105 0.000 1.029 196 V CA -0.811 61.450 62.300 -0.066 0.000 0.874 196 V CB 2.200 34.017 31.823 -0.011 0.000 0.985 196 V HN 0.619 nan 8.190 nan 0.000 0.438 197 D N 3.271 123.606 120.400 -0.109 0.000 2.352 197 D HA 0.091 4.736 4.640 0.008 0.000 0.245 197 D C 1.228 177.494 176.300 -0.057 0.000 1.224 197 D CA 0.112 54.047 54.000 -0.109 0.000 0.879 197 D CB 1.679 42.419 40.800 -0.101 0.000 1.057 197 D HN 0.620 nan 8.370 nan 0.000 0.491 198 T N 3.168 117.695 114.554 -0.044 0.000 2.720 198 T HA -0.211 4.144 4.350 0.008 0.000 0.268 198 T C 1.545 176.234 174.700 -0.020 0.000 1.037 198 T CA 1.333 63.422 62.100 -0.019 0.000 1.144 198 T CB 0.105 68.969 68.868 -0.006 0.000 0.864 198 T HN 0.591 nan 8.240 nan 0.000 0.444 199 E N 0.581 120.764 120.200 -0.027 0.000 2.028 199 E HA -0.133 4.222 4.350 0.008 0.000 0.190 199 E C 1.981 178.568 176.600 -0.022 0.000 0.984 199 E CA 0.813 57.197 56.400 -0.025 0.000 0.800 199 E CB 0.097 29.780 29.700 -0.029 0.000 0.758 199 E HN 0.282 nan 8.360 nan 0.000 0.448 200 E N 0.774 120.959 120.200 -0.026 0.000 2.478 200 E HA -0.065 4.290 4.350 0.008 0.000 0.198 200 E C -0.125 176.465 176.600 -0.017 0.000 1.046 200 E CA 0.287 56.675 56.400 -0.020 0.000 0.870 200 E CB 0.010 29.697 29.700 -0.022 0.000 0.818 200 E HN 0.239 nan 8.360 nan 0.000 0.527 201 K N 1.068 121.458 120.400 -0.018 0.000 3.689 201 K HA -0.231 4.094 4.320 0.008 0.000 0.276 201 K C -0.277 176.317 176.600 -0.010 0.000 0.932 201 K CA 0.796 57.077 56.287 -0.011 0.000 0.758 201 K CB -1.527 30.970 32.500 -0.006 0.000 1.500 201 K HN 0.312 nan 8.250 nan 0.000 0.448 202 K N -2.514 117.876 120.400 -0.017 0.000 2.551 202 K HA 0.471 4.796 4.320 0.008 0.000 0.269 202 K C -0.615 175.972 176.600 -0.021 0.000 0.949 202 K CA -1.225 55.054 56.287 -0.014 0.000 0.849 202 K CB 1.547 34.039 32.500 -0.012 0.000 1.411 202 K HN -0.094 nan 8.250 nan 0.000 0.432 203 V N 3.399 123.307 119.914 -0.009 0.000 2.455 203 V HA 0.101 4.226 4.120 0.008 0.000 0.273 203 V C 1.217 177.310 176.094 -0.002 0.000 1.045 203 V CA -0.230 62.067 62.300 -0.004 0.000 0.976 203 V CB 0.287 32.116 31.823 0.011 0.000 0.993 203 V HN 0.843 nan 8.190 nan 0.000 0.475 204 I N 1.582 122.144 120.570 -0.013 0.000 3.941 204 I HA 0.523 4.698 4.170 0.008 0.000 0.321 204 I C 0.148 176.387 176.117 0.204 0.000 1.284 204 I CA 0.507 61.825 61.300 0.031 0.000 1.226 204 I CB 0.375 38.326 38.000 -0.082 0.000 1.045 204 I HN 0.467 nan 8.210 nan 0.000 0.420 205 F N 0.954 120.895 119.950 -0.015 0.000 2.769 205 F HA 0.606 5.138 4.527 0.009 0.000 0.313 205 F C -1.980 173.866 175.800 0.078 0.000 1.146 205 F CA -0.965 57.083 58.000 0.080 0.000 0.934 205 F CB 1.633 40.769 39.000 0.228 0.000 1.283 205 F HN -0.239 nan 8.300 nan 0.000 0.443 206 I N 3.641 124.063 120.570 -0.247 0.000 2.478 206 I HA 0.281 4.456 4.170 0.008 0.000 0.287 206 I C -1.397 174.758 176.117 0.063 0.000 1.042 206 I CA -0.807 60.493 61.300 0.001 0.000 1.067 206 I CB 1.852 39.809 38.000 -0.072 0.000 1.233 206 I HN 0.352 nan 8.210 nan 0.000 0.431 207 D N 7.661 128.256 120.400 0.324 0.000 2.317 207 D HA 0.434 5.079 4.640 0.008 0.000 0.252 207 D C -0.279 176.173 176.300 0.254 0.000 1.174 207 D CA 0.299 54.528 54.000 0.382 0.000 0.866 207 D CB 1.703 42.738 40.800 0.392 0.000 1.127 207 D HN 0.301 nan 8.370 nan 0.000 0.467 208 I N 4.612 125.300 120.570 0.196 0.000 2.389 208 I HA 0.218 4.393 4.170 0.008 0.000 0.288 208 I C -1.856 174.351 176.117 0.150 0.000 0.999 208 I CA -1.870 59.524 61.300 0.156 0.000 1.129 208 I CB 2.053 40.081 38.000 0.047 0.000 1.288 208 I HN 0.088 nan 8.210 nan 0.000 0.444 209 P HA 0.186 nan 4.420 nan 0.000 0.272 209 P C -0.226 177.135 177.300 0.101 0.000 1.230 209 P CA -0.323 62.866 63.100 0.148 0.000 0.788 209 P CB 1.103 32.921 31.700 0.197 0.000 0.949 210 N N 0.847 119.596 118.700 0.081 0.000 2.216 210 N HA -0.063 4.682 4.740 0.008 0.000 0.183 210 N C 0.554 176.100 175.510 0.059 0.000 1.017 210 N CA 0.931 54.014 53.050 0.054 0.000 0.861 210 N CB -0.026 38.485 38.487 0.040 0.000 0.986 210 N HN 0.414 nan 8.380 nan 0.000 0.428 211 R N 1.746 122.295 120.500 0.082 0.000 2.210 211 R HA 0.222 4.568 4.340 0.008 0.000 0.338 211 R C -0.135 176.215 176.300 0.084 0.000 1.062 211 R CA -0.434 55.713 56.100 0.078 0.000 0.902 211 R CB 0.851 31.208 30.300 0.094 0.000 1.050 211 R HN -0.082 nan 8.270 nan 0.000 0.461 212 R N 2.828 123.363 120.500 0.057 0.000 2.308 212 R HA 0.271 4.616 4.340 0.008 0.000 0.305 212 R C -0.243 176.077 176.300 0.033 0.000 1.053 212 R CA -0.675 55.456 56.100 0.052 0.000 0.957 212 R CB 1.181 31.501 30.300 0.033 0.000 1.022 212 R HN 0.407 nan 8.270 nan 0.000 0.461 213 R N 1.874 122.389 120.500 0.024 0.000 2.451 213 R HA 0.315 4.660 4.340 0.008 0.000 0.307 213 R C -0.266 176.022 176.300 -0.019 0.000 0.965 213 R CA -0.491 55.600 56.100 -0.015 0.000 0.865 213 R CB 1.737 32.000 30.300 -0.062 0.000 1.174 213 R HN 0.317 nan 8.270 nan 0.000 0.455 214 K N 1.254 121.641 120.400 -0.020 0.000 2.168 214 K HA 0.279 4.604 4.320 0.008 0.000 0.258 214 K C -0.044 176.529 176.600 -0.046 0.000 1.010 214 K CA -0.710 55.562 56.287 -0.024 0.000 0.929 214 K CB 0.867 33.350 32.500 -0.027 0.000 0.998 214 K HN 0.168 nan 8.250 nan 0.000 0.479 215 V N 1.625 121.504 119.914 -0.059 0.000 2.843 215 V HA -0.117 4.008 4.120 0.008 0.000 0.305 215 V C 0.817 176.889 176.094 -0.037 0.000 1.120 215 V CA 0.151 62.409 62.300 -0.070 0.000 1.254 215 V CB 0.912 32.630 31.823 -0.175 0.000 0.901 215 V HN 0.815 nan 8.190 nan 0.000 0.503 216 S N 3.138 118.824 115.700 -0.024 0.000 2.562 216 S HA 0.143 4.618 4.470 0.008 0.000 0.281 216 S C 0.800 175.469 174.600 0.115 0.000 1.333 216 S CA -0.242 57.944 58.200 -0.023 0.000 1.052 216 S CB 0.372 63.406 63.200 -0.277 0.000 0.884 216 S HN 0.759 nan 8.310 nan 0.000 0.506 217 K N 2.101 122.522 120.400 0.035 0.000 2.358 217 K HA 0.115 4.440 4.320 0.008 0.000 0.197 217 K C -0.101 176.514 176.600 0.025 0.000 1.025 217 K CA -0.023 56.276 56.287 0.020 0.000 1.104 217 K CB 0.076 32.522 32.500 -0.090 0.000 0.855 217 K HN 0.694 nan 8.250 nan 0.000 0.531 218 H N 1.356 120.521 119.070 0.158 0.000 2.660 218 H HA 0.099 4.660 4.556 0.008 0.000 0.374 218 H C 0.073 175.609 175.328 0.346 0.000 1.291 218 H CA 0.121 56.274 56.048 0.174 0.000 1.437 218 H CB 0.561 30.361 29.762 0.062 0.000 1.509 218 H HN -0.147 nan 8.280 nan 0.000 0.614 219 K N 0.836 121.496 120.400 0.433 0.000 2.276 219 K HA 0.069 4.394 4.320 0.008 0.000 0.259 219 K C -0.440 176.457 176.600 0.495 0.000 1.001 219 K CA -0.182 56.334 56.287 0.382 0.000 0.927 219 K CB 0.221 32.890 32.500 0.282 0.000 0.969 219 K HN 0.510 nan 8.250 nan 0.000 0.490 220 H N -0.135 119.049 119.070 0.189 0.000 2.707 220 H HA 0.172 4.733 4.556 0.008 0.000 0.359 220 H C -0.279 175.033 175.328 -0.027 0.000 1.113 220 H CA 0.101 56.218 56.048 0.115 0.000 1.422 220 H CB 0.877 30.540 29.762 -0.164 0.000 1.443 220 H HN 0.667 nan 8.280 nan 0.000 0.591 221 A N 4.241 126.979 122.820 -0.137 0.000 2.527 221 A HA 0.203 4.528 4.320 0.008 0.000 0.313 221 A C -0.084 177.329 177.584 -0.284 0.000 1.410 221 A CA -0.673 51.155 52.037 -0.349 0.000 1.060 221 A CB -0.560 17.977 19.000 -0.772 0.000 1.137 221 A HN 0.666 nan 8.150 nan 0.000 0.542 222 N N 0.981 119.516 118.700 -0.275 0.000 2.477 222 N HA 0.624 5.369 4.740 0.008 0.000 0.284 222 N C -0.170 175.231 175.510 -0.180 0.000 1.182 222 N CA -0.332 52.430 53.050 -0.479 0.000 0.949 222 N CB 1.152 38.988 38.487 -1.085 0.000 1.204 222 N HN 0.586 nan 8.380 nan 0.000 0.526 223 F N -2.309 117.657 119.950 0.025 0.000 2.856 223 F HA 0.443 4.975 4.527 0.009 0.000 0.338 223 F C -0.314 175.529 175.800 0.073 0.000 1.100 223 F CA -0.836 57.177 58.000 0.022 0.000 1.150 223 F CB -0.574 38.357 39.000 -0.115 0.000 1.101 223 F HN 0.195 nan 8.300 nan 0.000 0.548 224 Y N 2.551 122.984 120.300 0.222 0.000 2.314 224 Y HA 0.333 4.889 4.550 0.008 0.000 0.334 224 Y C -1.040 174.882 175.900 0.036 0.000 1.266 224 Y CA -1.640 56.532 58.100 0.121 0.000 1.391 224 Y CB 0.246 38.664 38.460 -0.070 0.000 1.306 224 Y HN -0.224 nan 8.280 nan 0.000 0.558 225 P HA -0.281 nan 4.420 nan 0.000 0.216 225 P C 1.108 178.422 177.300 0.024 0.000 1.157 225 P CA 2.813 65.954 63.100 0.068 0.000 0.880 225 P CB 0.116 31.848 31.700 0.054 0.000 0.791 226 K N -1.008 119.356 120.400 -0.059 0.000 2.103 226 K HA -0.218 4.107 4.320 0.008 0.000 0.207 226 K C 1.769 178.323 176.600 -0.077 0.000 1.048 226 K CA 1.778 57.994 56.287 -0.118 0.000 0.930 226 K CB -1.234 31.130 32.500 -0.227 0.000 0.716 226 K HN 0.279 nan 8.250 nan 0.000 0.444 227 H N 0.041 119.132 119.070 0.035 0.000 2.357 227 H HA 0.043 4.604 4.556 0.008 0.000 0.301 227 H C 2.203 177.552 175.328 0.036 0.000 1.082 227 H CA 1.428 57.487 56.048 0.019 0.000 1.342 227 H CB 0.050 29.809 29.762 -0.004 0.000 1.389 227 H HN 0.082 nan 8.280 nan 0.000 0.511 228 M N 0.270 119.972 119.600 0.170 0.000 2.117 228 M HA -0.118 4.367 4.480 0.008 0.000 0.262 228 M C 2.347 178.695 176.300 0.081 0.000 1.065 228 M CA 1.280 56.649 55.300 0.115 0.000 1.114 228 M CB -0.711 31.947 32.600 0.097 0.000 1.361 228 M HN 0.318 nan 8.290 nan 0.000 0.408 229 I N -0.203 120.404 120.570 0.062 0.000 2.264 229 I HA -0.298 3.877 4.170 0.008 0.000 0.248 229 I C 2.508 178.655 176.117 0.050 0.000 1.111 229 I CA 1.348 62.675 61.300 0.044 0.000 1.382 229 I CB -0.371 37.645 38.000 0.026 0.000 1.060 229 I HN 0.431 nan 8.210 nan 0.000 0.418 230 E N 1.045 121.283 120.200 0.063 0.000 2.112 230 E HA -0.234 4.121 4.350 0.008 0.000 0.190 230 E C 2.178 178.823 176.600 0.075 0.000 0.979 230 E CA 0.835 57.274 56.400 0.066 0.000 0.814 230 E CB 0.192 29.939 29.700 0.078 0.000 0.762 230 E HN 0.321 nan 8.360 nan 0.000 0.460 231 K N 0.476 120.930 120.400 0.089 0.000 2.007 231 K HA -0.048 4.277 4.320 0.008 0.000 0.206 231 K C 0.971 177.617 176.600 0.077 0.000 1.047 231 K CA 1.240 57.582 56.287 0.091 0.000 0.937 231 K CB 0.227 32.790 32.500 0.104 0.000 0.718 231 K HN 0.084 nan 8.250 nan 0.000 0.438 232 V N -2.920 117.035 119.914 0.069 0.000 3.096 232 V HA 0.514 4.639 4.120 0.008 0.000 0.319 232 V C 1.338 177.461 176.094 0.048 0.000 1.103 232 V CA -0.366 61.968 62.300 0.057 0.000 1.016 232 V CB 0.871 32.727 31.823 0.054 0.000 1.090 232 V HN 0.288 nan 8.190 nan 0.000 0.449 233 G N 0.598 109.422 108.800 0.040 0.000 2.599 233 G HA2 0.213 4.178 3.960 0.008 0.000 0.219 233 G HA3 0.213 4.178 3.960 0.008 0.000 0.219 233 G C 0.557 175.476 174.900 0.031 0.000 1.193 233 G CA 1.936 47.056 45.100 0.033 0.000 0.778 233 G HN 1.925 nan 8.290 nan 0.000 0.589 234 A N -2.719 120.120 122.820 0.031 0.000 2.438 234 A HA 0.620 4.945 4.320 0.008 0.000 0.301 234 A C -0.573 177.028 177.584 0.028 0.000 1.101 234 A CA -0.607 51.447 52.037 0.028 0.000 0.621 234 A CB 0.263 19.276 19.000 0.022 0.000 1.350 234 A HN 0.074 nan 8.150 nan 0.000 0.496 235 M N 0.774 120.389 119.600 0.025 0.000 2.202 235 M HA 0.340 4.825 4.480 0.008 0.000 0.316 235 M C 0.618 176.929 176.300 0.018 0.000 1.138 235 M CA 0.173 55.487 55.300 0.023 0.000 1.151 235 M CB 0.036 32.648 32.600 0.021 0.000 1.422 235 M HN 0.709 nan 8.290 nan 0.000 0.471 236 R N 0.797 121.306 120.500 0.016 0.000 2.582 236 R HA 0.354 4.699 4.340 0.008 0.000 0.271 236 R C -2.072 174.234 176.300 0.010 0.000 1.078 236 R CA -1.401 54.706 56.100 0.012 0.000 1.127 236 R CB -0.509 29.797 30.300 0.010 0.000 1.038 236 R HN 0.388 nan 8.270 nan 0.000 0.500 237 P HA -0.054 nan 4.420 nan 0.000 0.268 237 P C -0.667 176.637 177.300 0.006 0.000 1.208 237 P CA -0.141 62.964 63.100 0.008 0.000 0.777 237 P CB 0.474 32.178 31.700 0.007 0.000 0.875 238 E N 1.412 121.616 120.200 0.006 0.000 2.465 238 E HA 0.267 4.622 4.350 0.008 0.000 0.260 238 E C -0.400 176.203 176.600 0.004 0.000 0.980 238 E CA 0.056 56.459 56.400 0.005 0.000 0.927 238 E CB 0.036 29.739 29.700 0.005 0.000 0.934 238 E HN 0.455 nan 8.360 nan 0.000 0.459 239 A N 5.481 128.302 122.820 0.003 0.000 2.322 239 A HA 0.483 4.808 4.320 0.008 0.000 0.269 239 A C -2.070 175.515 177.584 0.002 0.000 1.094 239 A CA -1.385 50.653 52.037 0.002 0.000 0.807 239 A CB -0.112 18.889 19.000 0.000 0.000 1.047 239 A HN 0.645 nan 8.150 nan 0.000 0.487 240 P HA 0.177 nan 4.420 nan 0.000 0.262 240 P C -2.215 175.087 177.300 0.003 0.000 1.182 240 P CA -0.325 62.777 63.100 0.003 0.000 0.761 240 P CB -0.071 31.631 31.700 0.003 0.000 0.795 241 P HA 0.207 nan 4.420 nan 0.000 0.271 241 P C -0.698 176.605 177.300 0.005 0.000 1.218 241 P CA 0.177 63.280 63.100 0.005 0.000 0.780 241 P CB 0.938 32.642 31.700 0.006 0.000 0.901 242 I N 2.956 123.529 120.570 0.005 0.000 2.405 242 I HA 0.206 4.381 4.170 0.008 0.000 0.280 242 I C 0.153 176.276 176.117 0.010 0.000 1.027 242 I CA -0.620 60.684 61.300 0.007 0.000 1.161 242 I CB 0.742 38.745 38.000 0.005 0.000 1.300 242 I HN 0.187 nan 8.210 nan 0.000 0.463 243 N N 6.057 124.764 118.700 0.011 0.000 2.456 243 N HA 0.440 5.185 4.740 0.008 0.000 0.288 243 N C -0.721 174.800 175.510 0.019 0.000 1.059 243 N CA -0.371 52.687 53.050 0.014 0.000 0.946 243 N CB 2.852 41.347 38.487 0.014 0.000 1.150 243 N HN 0.161 nan 8.380 nan 0.000 0.479 244 V N 1.404 121.332 119.914 0.023 0.000 2.444 244 V HA 0.515 4.640 4.120 0.008 0.000 0.294 244 V C 0.038 176.152 176.094 0.034 0.000 1.022 244 V CA -0.603 61.716 62.300 0.032 0.000 0.850 244 V CB 1.482 33.329 31.823 0.040 0.000 0.992 244 V HN 0.871 nan 8.190 nan 0.000 0.426 245 T N 1.757 116.331 114.554 0.034 0.000 2.903 245 T HA 0.641 4.996 4.350 0.008 0.000 0.299 245 T C -0.832 173.889 174.700 0.035 0.000 1.093 245 T CA -0.817 61.302 62.100 0.032 0.000 1.002 245 T CB 2.288 71.170 68.868 0.024 0.000 1.127 245 T HN 0.497 nan 8.240 nan 0.000 0.488 246 Q N 1.924 121.744 119.800 0.033 0.000 2.907 246 Q HA 0.261 4.606 4.340 0.008 0.000 0.262 246 Q C -1.706 174.304 176.000 0.016 0.000 0.997 246 Q CA -2.073 53.748 55.803 0.030 0.000 0.797 246 Q CB 1.607 30.368 28.738 0.039 0.000 1.228 246 Q HN 0.593 nan 8.270 nan 0.000 0.466 247 P HA -0.209 nan 4.420 nan 0.000 0.217 247 P C 0.106 177.407 177.300 0.003 0.000 1.148 247 P CA 1.350 64.455 63.100 0.009 0.000 0.828 247 P CB 0.471 32.177 31.700 0.010 0.000 0.783 248 E N -0.407 119.794 120.200 0.002 0.000 2.451 248 E HA 0.360 4.715 4.350 0.008 0.000 0.194 248 E C 0.926 177.515 176.600 -0.019 0.000 1.027 248 E CA 0.014 56.411 56.400 -0.006 0.000 0.914 248 E CB 0.135 29.834 29.700 -0.002 0.000 1.054 248 E HN 0.258 nan 8.360 nan 0.000 0.461 249 G N 0.842 109.628 108.800 -0.023 0.000 2.660 249 G HA2 -0.248 3.717 3.960 0.008 0.000 0.215 249 G HA3 -0.248 3.717 3.960 0.008 0.000 0.215 249 G C -0.077 174.781 174.900 -0.070 0.000 1.345 249 G CA -0.478 44.590 45.100 -0.053 0.000 0.877 249 G HN 0.408 nan 8.290 nan 0.000 0.549 250 V N -2.652 117.161 119.914 -0.168 0.000 2.966 250 V HA 0.869 4.994 4.120 0.008 0.000 0.317 250 V C 1.447 177.431 176.094 -0.185 0.000 1.070 250 V CA 0.859 63.027 62.300 -0.220 0.000 1.008 250 V CB 1.522 32.961 31.823 -0.639 0.000 1.070 250 V HN 2.299 nan 8.190 nan 0.000 0.457 251 S N 1.095 116.791 115.700 -0.007 0.000 2.524 251 S HA 0.216 4.691 4.470 0.008 0.000 0.216 251 S C 0.465 175.171 174.600 0.177 0.000 0.987 251 S CA -0.101 58.148 58.200 0.082 0.000 0.909 251 S CB -0.673 62.623 63.200 0.159 0.000 0.781 251 S HN 1.042 nan 8.310 nan 0.000 0.521 252 F N 1.515 121.616 119.950 0.252 0.000 2.375 252 F HA 0.738 5.270 4.527 0.009 0.000 0.333 252 F C -0.156 175.680 175.800 0.060 0.000 1.104 252 F CA -1.311 56.824 58.000 0.224 0.000 1.149 252 F CB 0.774 39.869 39.000 0.159 0.000 1.190 252 F HN -0.081 nan 8.300 nan 0.000 0.533 253 K N 4.941 125.480 120.400 0.233 0.000 2.463 253 K HA 0.481 4.806 4.320 0.008 0.000 0.255 253 K C -1.593 175.050 176.600 0.072 0.000 0.942 253 K CA -0.686 55.654 56.287 0.089 0.000 0.814 253 K CB 1.307 33.825 32.500 0.030 0.000 1.122 253 K HN 0.927 nan 8.250 nan 0.000 0.425 254 M N 2.768 122.395 119.600 0.046 0.000 2.294 254 M HA 0.252 4.737 4.480 0.008 0.000 0.335 254 M C -0.765 175.532 176.300 -0.005 0.000 1.079 254 M CA -0.613 54.659 55.300 -0.047 0.000 0.982 254 M CB 2.211 34.706 32.600 -0.176 0.000 1.651 254 M HN 0.507 nan 8.290 nan 0.000 0.437 255 T N 2.707 117.250 114.554 -0.018 0.000 3.060 255 T HA 0.537 4.893 4.350 0.008 0.000 0.367 255 T C 0.583 175.302 174.700 0.031 0.000 1.229 255 T CA 0.228 62.343 62.100 0.025 0.000 1.104 255 T CB 0.824 69.714 68.868 0.037 0.000 1.083 255 T HN 1.082 nan 8.240 nan 0.000 0.524 256 G N 4.037 112.862 108.800 0.042 0.000 2.536 256 G HA2 -0.296 3.669 3.960 0.008 0.000 0.277 256 G HA3 -0.296 3.669 3.960 0.008 0.000 0.277 256 G C 0.672 175.555 174.900 -0.027 0.000 1.155 256 G CA -0.027 45.100 45.100 0.045 0.000 0.960 256 G HN 0.540 nan 8.290 nan 0.000 0.544 257 N N 0.524 119.170 118.700 -0.091 0.000 2.236 257 N HA 0.217 4.962 4.740 0.008 0.000 0.196 257 N C 0.449 175.721 175.510 -0.396 0.000 1.114 257 N CA 0.613 53.488 53.050 -0.293 0.000 0.859 257 N CB 1.043 39.232 38.487 -0.496 0.000 0.982 257 N HN 0.384 nan 8.380 nan 0.000 0.493 258 V N 2.479 122.263 119.914 -0.216 0.000 2.432 258 V HA 0.187 4.312 4.120 0.008 0.000 0.271 258 V C 0.302 176.219 176.094 -0.295 0.000 1.046 258 V CA -0.384 61.793 62.300 -0.204 0.000 0.945 258 V CB 1.072 32.892 31.823 -0.005 0.000 0.992 258 V HN 0.105 nan 8.190 nan 0.000 0.471 259 M N 5.344 124.617 119.600 -0.546 0.000 2.363 259 M HA 0.526 5.011 4.480 0.008 0.000 0.343 259 M C -0.571 175.443 176.300 -0.476 0.000 1.165 259 M CA 0.132 55.043 55.300 -0.648 0.000 1.046 259 M CB 1.392 33.243 32.600 -1.249 0.000 1.648 259 M HN 0.654 nan 8.290 nan 0.000 0.452 260 E N 3.694 123.781 120.200 -0.189 0.000 2.265 260 E HA 0.438 4.793 4.350 0.008 0.000 0.262 260 E C -2.229 174.473 176.600 0.170 0.000 0.889 260 E CA -0.288 56.097 56.400 -0.024 0.000 0.789 260 E CB 1.747 31.440 29.700 -0.012 0.000 1.221 260 E HN 0.772 nan 8.360 nan 0.000 0.414 261 W N 2.444 123.748 121.300 0.007 0.000 3.624 261 W HA 0.195 4.859 4.660 0.008 0.000 0.312 261 W C -0.181 176.430 176.519 0.153 0.000 1.203 261 W CA -0.443 56.961 57.345 0.098 0.000 1.225 261 W CB 1.580 31.109 29.460 0.114 0.000 1.321 261 W HN 0.440 nan 8.180 nan 0.000 0.506 262 S N 5.110 120.372 115.700 -0.730 0.000 3.410 262 S HA -0.333 4.142 4.470 0.008 0.000 0.369 262 S C 0.838 175.144 174.600 -0.490 0.000 0.961 262 S CA 2.003 59.733 58.200 -0.783 0.000 1.248 262 S CB -1.305 61.008 63.200 -1.480 0.000 0.914 262 S HN 0.997 nan 8.310 nan 0.000 0.497 263 N N -2.201 116.241 118.700 -0.430 0.000 2.967 263 N HA -0.177 4.569 4.740 0.008 0.000 0.218 263 N C -0.175 175.013 175.510 -0.537 0.000 0.870 263 N CA 1.776 54.432 53.050 -0.656 0.000 1.030 263 N CB -1.489 36.221 38.487 -1.294 0.000 1.027 263 N HN 0.566 nan 8.380 nan 0.000 0.603 264 F N 1.575 121.465 119.950 -0.099 0.000 2.389 264 F HA 0.422 4.954 4.527 0.008 0.000 0.337 264 F C 0.944 176.819 175.800 0.125 0.000 1.112 264 F CA 0.238 58.344 58.000 0.177 0.000 1.192 264 F CB 0.888 40.154 39.000 0.445 0.000 1.185 264 F HN -0.168 nan 8.300 nan 0.000 0.552 265 K N 4.344 124.996 120.400 0.420 0.000 2.535 265 K HA 0.581 4.907 4.320 0.008 0.000 0.250 265 K C -1.812 174.973 176.600 0.309 0.000 0.948 265 K CA -0.481 55.914 56.287 0.181 0.000 0.796 265 K CB 1.436 34.002 32.500 0.109 0.000 1.216 265 K HN 0.509 nan 8.250 nan 0.000 0.432 266 F N -0.310 119.646 119.950 0.010 0.000 2.741 266 F HA 0.386 4.918 4.527 0.009 0.000 0.311 266 F C -1.513 174.268 175.800 -0.032 0.000 1.149 266 F CA -1.170 56.833 58.000 0.005 0.000 0.930 266 F CB 0.941 39.913 39.000 -0.046 0.000 1.312 266 F HN 0.411 nan 8.300 nan 0.000 0.450 267 H N 2.662 121.768 119.070 0.061 0.000 2.488 267 H HA 0.528 5.089 4.556 0.008 0.000 0.322 267 H C -1.091 174.221 175.328 -0.026 0.000 1.078 267 H CA -0.548 55.424 56.048 -0.127 0.000 1.260 267 H CB 1.418 31.007 29.762 -0.290 0.000 1.425 267 H HN 0.740 nan 8.280 nan 0.000 0.471 268 I N 5.792 126.059 120.570 -0.505 0.000 2.287 268 I HA 0.198 4.373 4.170 0.008 0.000 0.290 268 I C 1.054 176.969 176.117 -0.337 0.000 1.069 268 I CA -0.285 60.859 61.300 -0.260 0.000 1.237 268 I CB 0.841 38.729 38.000 -0.187 0.000 1.418 268 I HN 0.547 nan 8.210 nan 0.000 0.481 269 G N 5.154 113.922 108.800 -0.055 0.000 2.557 269 G HA2 0.690 4.655 3.960 0.008 0.000 0.302 269 G HA3 0.690 4.655 3.960 0.008 0.000 0.302 269 G C -1.440 173.575 174.900 0.191 0.000 1.311 269 G CA -0.296 44.877 45.100 0.123 0.000 1.030 269 G HN 0.390 nan 8.290 nan 0.000 0.509 270 F N 0.425 120.393 119.950 0.031 0.000 2.669 270 F HA 0.420 4.953 4.527 0.009 0.000 0.315 270 F C -1.231 174.635 175.800 0.110 0.000 1.109 270 F CA -0.950 57.076 58.000 0.043 0.000 1.028 270 F CB 1.816 40.833 39.000 0.027 0.000 1.287 270 F HN 0.823 nan 8.300 nan 0.000 0.452 271 N N 2.310 120.921 118.700 -0.149 0.000 2.647 271 N HA 0.258 5.003 4.740 0.008 0.000 0.266 271 N C 0.121 175.583 175.510 -0.081 0.000 1.373 271 N CA -0.509 52.611 53.050 0.117 0.000 0.807 271 N CB 0.400 38.963 38.487 0.127 0.000 1.513 271 N HN 0.515 nan 8.380 nan 0.000 0.505 272 Y N -1.042 119.168 120.300 -0.149 0.000 2.365 272 Y HA 0.038 4.593 4.550 0.008 0.000 0.287 272 Y C 2.005 177.439 175.900 -0.777 0.000 1.162 272 Y CA 1.307 58.899 58.100 -0.846 0.000 1.260 272 Y CB -0.346 37.231 38.460 -1.472 0.000 0.976 272 Y HN 0.653 nan 8.280 nan 0.000 0.548 273 R N 0.345 119.971 120.500 -1.457 0.000 2.064 273 R HA 0.085 4.430 4.340 0.008 0.000 0.210 273 R C 1.985 177.865 176.300 -0.699 0.000 1.221 273 R CA 0.976 56.338 56.100 -1.230 0.000 1.055 273 R CB 0.016 29.387 30.300 -1.549 0.000 0.946 273 R HN 0.396 nan 8.270 nan 0.000 0.459 274 E N -0.160 119.735 120.200 -0.507 0.000 2.358 274 E HA 0.127 4.483 4.350 0.008 0.000 0.195 274 E C 0.860 177.241 176.600 -0.365 0.000 1.010 274 E CA 0.413 56.631 56.400 -0.304 0.000 0.856 274 E CB 0.380 29.995 29.700 -0.143 0.000 0.795 274 E HN 0.566 nan 8.360 nan 0.000 0.504 275 G N 1.897 110.314 108.800 -0.638 0.000 2.523 275 G HA2 -0.337 3.628 3.960 0.008 0.000 0.271 275 G HA3 -0.337 3.628 3.960 0.008 0.000 0.271 275 G C 0.066 174.413 174.900 -0.923 0.000 1.146 275 G CA -0.196 44.300 45.100 -1.007 0.000 0.961 275 G HN 0.188 nan 8.290 nan 0.000 0.549 276 I N 1.163 121.554 120.570 -0.298 0.000 2.683 276 I HA 0.335 4.510 4.170 0.008 0.000 0.286 276 I C 0.309 176.278 176.117 -0.247 0.000 1.175 276 I CA 0.099 61.363 61.300 -0.060 0.000 1.429 276 I CB 0.804 38.848 38.000 0.074 0.000 1.371 276 I HN 0.330 nan 8.210 nan 0.000 0.569 277 V N 7.940 127.721 119.914 -0.222 0.000 2.482 277 V HA 0.355 4.480 4.120 0.008 0.000 0.295 277 V C -0.109 175.833 176.094 -0.253 0.000 1.026 277 V CA -0.554 61.585 62.300 -0.269 0.000 0.856 277 V CB 1.658 33.388 31.823 -0.154 0.000 1.001 277 V HN 0.446 nan 8.190 nan 0.000 0.424 278 L N 4.281 125.265 121.223 -0.399 0.000 2.264 278 L HA 0.672 5.017 4.340 0.008 0.000 0.289 278 L C 0.214 176.985 176.870 -0.164 0.000 1.044 278 L CA 0.155 54.843 54.840 -0.254 0.000 0.807 278 L CB 1.544 43.352 42.059 -0.419 0.000 1.192 278 L HN 0.628 nan 8.230 nan 0.000 0.425 279 S N 0.670 116.352 115.700 -0.030 0.000 2.634 279 S HA 0.307 4.782 4.470 0.008 0.000 0.296 279 S C -0.470 174.136 174.600 0.010 0.000 1.104 279 S CA -0.629 57.497 58.200 -0.124 0.000 0.920 279 S CB 1.748 64.783 63.200 -0.275 0.000 1.111 279 S HN 0.743 nan 8.310 nan 0.000 0.493 280 D N 0.946 121.302 120.400 -0.073 0.000 2.697 280 D HA -0.142 4.503 4.640 0.008 0.000 0.235 280 D C -0.686 175.752 176.300 0.231 0.000 1.167 280 D CA 0.353 54.439 54.000 0.143 0.000 0.656 280 D CB -1.169 39.798 40.800 0.279 0.000 1.025 280 D HN 0.255 nan 8.370 nan 0.000 0.419 281 V N 1.220 121.261 119.914 0.213 0.000 2.455 281 V HA 0.518 4.643 4.120 0.008 0.000 0.273 281 V C 0.919 177.157 176.094 0.240 0.000 1.045 281 V CA 0.355 62.822 62.300 0.280 0.000 0.976 281 V CB 1.375 33.344 31.823 0.243 0.000 0.993 281 V HN 0.488 nan 8.190 nan 0.000 0.475 282 S N 4.617 120.510 115.700 0.322 0.000 2.661 282 S HA 0.784 5.259 4.470 0.008 0.000 0.285 282 S C -1.352 173.467 174.600 0.365 0.000 1.138 282 S CA -0.796 57.569 58.200 0.275 0.000 0.855 282 S CB 2.111 65.434 63.200 0.206 0.000 1.136 282 S HN 0.589 nan 8.310 nan 0.000 0.484 283 Y N 1.611 122.014 120.300 0.171 0.000 2.373 283 Y HA 0.500 5.055 4.550 0.009 0.000 0.336 283 Y C -0.621 175.336 175.900 0.094 0.000 0.979 283 Y CA -0.783 57.367 58.100 0.085 0.000 1.080 283 Y CB 1.600 40.108 38.460 0.081 0.000 1.190 283 Y HN 0.862 nan 8.280 nan 0.000 0.446 284 N N 4.824 123.294 118.700 -0.384 0.000 2.415 284 N HA 0.013 4.758 4.740 0.008 0.000 0.250 284 N C -1.171 174.256 175.510 -0.138 0.000 1.127 284 N CA 0.161 53.091 53.050 -0.199 0.000 0.945 284 N CB 0.310 38.648 38.487 -0.249 0.000 1.196 284 N HN 0.694 nan 8.380 nan 0.000 0.499 285 D N 2.655 123.168 120.400 0.189 0.000 2.522 285 D HA 0.086 4.731 4.640 0.008 0.000 0.218 285 D C -0.395 175.991 176.300 0.144 0.000 1.149 285 D CA -0.107 54.065 54.000 0.287 0.000 0.981 285 D CB -0.716 40.344 40.800 0.433 0.000 1.041 285 D HN 0.557 nan 8.370 nan 0.000 0.518 286 H N 1.632 120.749 119.070 0.079 0.000 2.604 286 H HA -0.198 4.363 4.556 0.008 0.000 0.321 286 H C 1.458 176.795 175.328 0.016 0.000 1.132 286 H CA 1.024 57.089 56.048 0.028 0.000 1.129 286 H CB -1.005 28.775 29.762 0.031 0.000 1.526 286 H HN 0.678 nan 8.280 nan 0.000 0.415 287 G N -0.151 108.682 108.800 0.055 0.000 2.279 287 G HA2 -0.341 3.624 3.960 0.008 0.000 0.223 287 G HA3 -0.341 3.624 3.960 0.008 0.000 0.223 287 G C 0.264 175.185 174.900 0.035 0.000 1.015 287 G CA 0.039 45.161 45.100 0.037 0.000 0.621 287 G HN 0.738 nan 8.290 nan 0.000 0.506 288 N N 0.861 119.598 118.700 0.061 0.000 2.469 288 N HA 0.420 5.165 4.740 0.008 0.000 0.239 288 N C 0.076 175.630 175.510 0.074 0.000 1.053 288 N CA -0.359 52.724 53.050 0.055 0.000 0.937 288 N CB 0.668 39.188 38.487 0.056 0.000 1.163 288 N HN 0.068 nan 8.380 nan 0.000 0.509 289 V N 4.733 124.679 119.914 0.053 0.000 2.397 289 V HA 0.139 4.264 4.120 0.008 0.000 0.262 289 V C 0.437 176.591 176.094 0.100 0.000 1.047 289 V CA 0.014 62.357 62.300 0.072 0.000 1.003 289 V CB -0.108 31.741 31.823 0.043 0.000 1.037 289 V HN 0.601 nan 8.190 nan 0.000 0.480 290 R N 5.892 126.495 120.500 0.171 0.000 2.338 290 R HA 0.460 4.805 4.340 0.008 0.000 0.317 290 R C -2.739 173.697 176.300 0.226 0.000 0.968 290 R CA -1.858 54.355 56.100 0.187 0.000 0.849 290 R CB 1.480 31.905 30.300 0.210 0.000 1.128 290 R HN 0.394 nan 8.270 nan 0.000 0.448 291 P HA 0.123 nan 4.420 nan 0.000 0.272 291 P C -0.082 177.247 177.300 0.049 0.000 1.223 291 P CA 0.060 63.231 63.100 0.118 0.000 0.784 291 P CB 0.868 32.627 31.700 0.098 0.000 0.923 292 I N -0.503 119.988 120.570 -0.132 0.000 3.669 292 I HA 0.214 4.389 4.170 0.008 0.000 0.255 292 I C -0.125 175.570 176.117 -0.702 0.000 1.144 292 I CA 0.426 61.355 61.300 -0.617 0.000 1.447 292 I CB 0.243 37.650 38.000 -0.989 0.000 1.622 292 I HN 0.121 nan 8.210 nan 0.000 0.435 293 F N 0.193 120.087 119.950 -0.093 0.000 2.565 293 F HA 0.365 4.896 4.527 0.008 0.000 0.313 293 F C 0.996 176.792 175.800 -0.007 0.000 1.091 293 F CA -0.933 57.019 58.000 -0.081 0.000 0.915 293 F CB 0.858 39.765 39.000 -0.155 0.000 1.208 293 F HN -0.023 nan 8.300 nan 0.000 0.453 294 H N 1.789 120.932 119.070 0.121 0.000 2.497 294 H HA 0.290 4.851 4.556 0.009 0.000 0.282 294 H C 0.058 175.373 175.328 -0.021 0.000 1.003 294 H CA 0.870 56.937 56.048 0.032 0.000 1.307 294 H CB 0.560 30.297 29.762 -0.041 0.000 1.437 294 H HN 0.596 nan 8.280 nan 0.000 0.544 295 R N 0.390 120.832 120.500 -0.097 0.000 2.579 295 R HA 0.352 4.697 4.340 0.008 0.000 0.260 295 R C -2.204 173.958 176.300 -0.231 0.000 1.103 295 R CA -0.461 55.512 56.100 -0.211 0.000 0.942 295 R CB 1.711 31.887 30.300 -0.206 0.000 1.251 295 R HN 0.215 nan 8.270 nan 0.000 0.450 296 I N 2.798 123.181 120.570 -0.312 0.000 2.692 296 I HA 0.618 4.793 4.170 0.008 0.000 0.293 296 I C -1.465 174.391 176.117 -0.435 0.000 1.200 296 I CA -0.088 60.982 61.300 -0.383 0.000 1.036 296 I CB 2.108 39.816 38.000 -0.488 0.000 1.258 296 I HN 0.932 nan 8.210 nan 0.000 0.421 297 S N 6.206 121.768 115.700 -0.230 0.000 2.656 297 S HA 0.510 4.985 4.470 0.008 0.000 0.265 297 S C -1.720 172.984 174.600 0.174 0.000 1.132 297 S CA -1.067 57.075 58.200 -0.096 0.000 0.819 297 S CB 1.007 64.110 63.200 -0.162 0.000 1.119 297 S HN 0.580 nan 8.310 nan 0.000 0.476 298 L N 2.649 124.022 121.223 0.251 0.000 2.264 298 L HA 0.488 4.833 4.340 0.008 0.000 0.289 298 L C 1.244 178.162 176.870 0.081 0.000 1.044 298 L CA -0.201 54.761 54.840 0.202 0.000 0.807 298 L CB 1.705 43.913 42.059 0.247 0.000 1.192 298 L HN 1.025 nan 8.230 nan 0.000 0.425 299 S N 0.801 116.532 115.700 0.051 0.000 2.503 299 S HA 0.190 4.665 4.470 0.008 0.000 0.215 299 S C 0.322 174.932 174.600 0.018 0.000 1.003 299 S CA -0.155 58.104 58.200 0.099 0.000 0.910 299 S CB 0.472 63.780 63.200 0.179 0.000 0.790 299 S HN 0.662 nan 8.310 nan 0.000 0.514 300 E N -0.673 119.422 120.200 -0.175 0.000 2.417 300 E HA 0.666 5.021 4.350 0.008 0.000 0.280 300 E C -1.774 174.650 176.600 -0.293 0.000 1.112 300 E CA -0.447 55.786 56.400 -0.278 0.000 0.863 300 E CB 1.114 30.540 29.700 -0.457 0.000 1.346 300 E HN 0.311 nan 8.360 nan 0.000 0.443 301 M N 1.383 120.924 119.600 -0.098 0.000 2.644 301 M HA 0.635 5.120 4.480 0.008 0.000 0.273 301 M C -1.401 175.014 176.300 0.190 0.000 1.253 301 M CA -0.863 54.416 55.300 -0.036 0.000 0.852 301 M CB 2.575 35.033 32.600 -0.236 0.000 1.708 301 M HN 0.578 nan 8.290 nan 0.000 0.471 302 I N 0.883 121.514 120.570 0.102 0.000 2.710 302 I HA 0.432 4.607 4.170 0.008 0.000 0.290 302 I C -1.707 174.382 176.117 -0.048 0.000 1.318 302 I CA -0.583 60.756 61.300 0.065 0.000 1.045 302 I CB 1.938 39.966 38.000 0.048 0.000 1.307 302 I HN 0.419 nan 8.210 nan 0.000 0.424 303 V N 8.877 128.796 119.914 0.009 0.000 2.225 303 V HA 0.346 4.471 4.120 0.008 0.000 0.264 303 V C -2.248 173.882 176.094 0.061 0.000 1.067 303 V CA -1.267 61.006 62.300 -0.045 0.000 0.903 303 V CB 0.752 32.587 31.823 0.020 0.000 1.136 303 V HN 0.513 nan 8.190 nan 0.000 0.456 304 P HA 0.254 nan 4.420 nan 0.000 0.282 304 P C -0.616 176.678 177.300 -0.010 0.000 1.274 304 P CA -0.107 63.035 63.100 0.072 0.000 0.770 304 P CB 0.794 32.469 31.700 -0.041 0.000 0.867 305 F N 1.740 121.736 119.950 0.077 0.000 2.371 305 F HA 0.409 4.941 4.527 0.008 0.000 0.329 305 F C 1.911 177.699 175.800 -0.019 0.000 1.107 305 F CA 0.479 58.521 58.000 0.069 0.000 1.137 305 F CB 0.768 39.810 39.000 0.070 0.000 1.214 305 F HN 0.381 nan 8.300 nan 0.000 0.536 306 G N 0.448 109.305 108.800 0.096 0.000 3.434 306 G HA2 0.071 4.036 3.960 0.008 0.000 0.258 306 G HA3 0.071 4.036 3.960 0.008 0.000 0.258 306 G C -0.026 174.790 174.900 -0.140 0.000 1.128 306 G CA -0.044 45.056 45.100 0.000 0.000 0.792 306 G HN 0.505 nan 8.290 nan 0.000 0.539 307 S N 1.271 116.838 115.700 -0.223 0.000 2.475 307 S HA 0.453 4.928 4.470 0.008 0.000 0.281 307 S C -0.844 173.467 174.600 -0.481 0.000 1.198 307 S CA -1.420 56.481 58.200 -0.498 0.000 1.063 307 S CB 1.889 64.639 63.200 -0.750 0.000 0.972 307 S HN 0.088 nan 8.310 nan 0.000 0.486 308 P HA 0.066 nan 4.420 nan 0.000 0.236 308 P C -0.293 176.862 177.300 -0.241 0.000 1.177 308 P CA 0.219 63.048 63.100 -0.451 0.000 0.773 308 P CB 0.120 31.478 31.700 -0.569 0.000 0.878 309 E N 0.166 120.253 120.200 -0.188 0.000 2.360 309 E HA 0.112 4.467 4.350 0.008 0.000 0.269 309 E C -0.352 176.155 176.600 -0.156 0.000 1.022 309 E CA -0.679 55.687 56.400 -0.056 0.000 0.887 309 E CB 0.339 30.079 29.700 0.067 0.000 0.990 309 E HN 0.048 nan 8.360 nan 0.000 0.426 310 F N 4.911 124.715 119.950 -0.243 0.000 2.529 310 F HA 0.074 4.606 4.527 0.008 0.000 0.365 310 F C -1.396 174.088 175.800 -0.527 0.000 1.102 310 F CA -1.536 56.289 58.000 -0.293 0.000 1.271 310 F CB 0.843 39.744 39.000 -0.164 0.000 1.120 310 F HN 0.314 nan 8.300 nan 0.000 0.579 311 P HA 0.148 nan 4.420 nan 0.000 0.257 311 P C -0.150 176.685 177.300 -0.774 0.000 1.737 311 P CA 0.206 62.496 63.100 -1.351 0.000 1.130 311 P CB -0.374 30.591 31.700 -1.225 0.000 1.572 312 H N 0.498 119.305 119.070 -0.438 0.000 2.561 312 H HA -0.091 4.470 4.556 0.008 0.000 0.278 312 H C 2.271 177.461 175.328 -0.229 0.000 1.014 312 H CA 0.683 56.519 56.048 -0.354 0.000 1.211 312 H CB 0.122 29.668 29.762 -0.361 0.000 1.365 312 H HN 0.243 nan 8.280 nan 0.000 0.594 313 Q N 1.647 121.360 119.800 -0.145 0.000 2.369 313 Q HA -0.112 4.233 4.340 0.008 0.000 0.206 313 Q C 1.299 177.362 176.000 0.105 0.000 0.963 313 Q CA 1.014 56.793 55.803 -0.041 0.000 0.894 313 Q CB -0.061 28.632 28.738 -0.074 0.000 0.965 313 Q HN 0.481 nan 8.270 nan 0.000 0.475 314 R N 0.880 121.371 120.500 -0.016 0.000 2.319 314 R HA 0.163 4.508 4.340 0.008 0.000 0.204 314 R C 0.081 176.385 176.300 0.007 0.000 0.954 314 R CA 0.132 56.250 56.100 0.030 0.000 1.066 314 R CB 0.272 30.506 30.300 -0.111 0.000 0.991 314 R HN 0.139 nan 8.270 nan 0.000 0.486 315 K N 1.962 122.411 120.400 0.082 0.000 2.296 315 K HA 0.098 4.423 4.320 0.008 0.000 0.257 315 K C -0.407 176.470 176.600 0.462 0.000 1.088 315 K CA -0.130 56.237 56.287 0.133 0.000 0.980 315 K CB 0.513 32.843 32.500 -0.284 0.000 1.430 315 K HN 0.294 nan 8.250 nan 0.000 0.441 316 H N 0.115 119.399 119.070 0.358 0.000 3.080 316 H HA 0.192 4.753 4.556 0.009 0.000 0.211 316 H C -0.747 174.701 175.328 0.200 0.000 1.359 316 H CA -0.704 55.496 56.048 0.253 0.000 1.322 316 H CB -0.608 29.221 29.762 0.112 0.000 2.164 316 H HN 0.352 nan 8.280 nan 0.000 0.526 317 A N 1.879 124.809 122.820 0.183 0.000 2.546 317 A HA 0.310 4.635 4.320 0.008 0.000 0.243 317 A C 0.183 177.778 177.584 0.018 0.000 1.063 317 A CA -0.197 51.858 52.037 0.030 0.000 0.757 317 A CB 0.132 19.113 19.000 -0.033 0.000 0.991 317 A HN 0.468 nan 8.150 nan 0.000 0.503 318 L N 3.553 124.746 121.223 -0.049 0.000 2.494 318 L HA 0.208 4.553 4.340 0.008 0.000 0.251 318 L C 0.709 177.498 176.870 -0.136 0.000 1.119 318 L CA -0.056 54.774 54.840 -0.016 0.000 1.026 318 L CB 0.605 42.696 42.059 0.052 0.000 1.370 318 L HN 0.755 nan 8.230 nan 0.000 0.426 319 D N 1.251 121.597 120.400 -0.091 0.000 2.133 319 D HA -0.259 4.386 4.640 0.008 0.000 0.192 319 D C 2.030 178.230 176.300 -0.166 0.000 1.001 319 D CA 1.785 55.761 54.000 -0.040 0.000 0.844 319 D CB 0.278 41.103 40.800 0.041 0.000 0.944 319 D HN 0.480 nan 8.370 nan 0.000 0.447 320 I N 0.798 121.232 120.570 -0.228 0.000 2.142 320 I HA -0.178 3.997 4.170 0.008 0.000 0.240 320 I C 2.561 178.469 176.117 -0.350 0.000 1.078 320 I CA 1.526 62.633 61.300 -0.322 0.000 1.343 320 I CB -0.399 37.437 38.000 -0.273 0.000 1.046 320 I HN 0.023 nan 8.210 nan 0.000 0.405 321 G N -0.382 108.248 108.800 -0.284 0.000 2.572 321 G HA2 -0.100 3.865 3.960 0.008 0.000 0.216 321 G HA3 -0.100 3.865 3.960 0.008 0.000 0.216 321 G C 1.431 176.187 174.900 -0.239 0.000 1.133 321 G CA 0.188 45.115 45.100 -0.290 0.000 0.791 321 G HN 0.410 nan 8.290 nan 0.000 0.538 322 E N -1.392 118.617 120.200 -0.318 0.000 2.431 322 E HA 0.136 4.491 4.350 0.008 0.000 0.200 322 E C 0.886 177.160 176.600 -0.544 0.000 0.995 322 E CA 0.254 56.374 56.400 -0.467 0.000 0.915 322 E CB 0.367 29.653 29.700 -0.691 0.000 0.930 322 E HN 0.555 nan 8.360 nan 0.000 0.496 323 Y N -0.426 119.829 120.300 -0.074 0.000 2.640 323 Y HA 0.344 4.899 4.550 0.009 0.000 0.274 323 Y C 0.780 176.667 175.900 -0.022 0.000 1.164 323 Y CA 0.232 58.312 58.100 -0.034 0.000 1.189 323 Y CB 1.060 39.477 38.460 -0.073 0.000 1.333 323 Y HN -0.042 nan 8.280 nan 0.000 0.494 324 G N 0.747 109.495 108.800 -0.087 0.000 3.421 324 G HA2 0.157 4.122 3.960 0.008 0.000 0.686 324 G HA3 0.157 4.122 3.960 0.008 0.000 0.686 324 G C 0.613 175.260 174.900 -0.423 0.000 1.056 324 G CA -0.259 44.643 45.100 -0.330 0.000 0.891 324 G HN 0.619 nan 8.290 nan 0.000 0.514 325 A N 1.330 123.767 122.820 -0.638 0.000 2.067 325 A HA 0.344 4.669 4.320 0.008 0.000 0.219 325 A C 2.581 179.931 177.584 -0.390 0.000 1.158 325 A CA 2.435 53.956 52.037 -0.860 0.000 0.661 325 A CB -0.358 18.183 19.000 -0.765 0.000 0.801 325 A HN 2.148 nan 8.150 nan 0.000 0.452 326 G N -1.493 107.082 108.800 -0.374 0.000 2.404 326 G HA2 -0.079 3.886 3.960 0.008 0.000 0.213 326 G HA3 -0.079 3.886 3.960 0.008 0.000 0.213 326 G C 1.380 176.373 174.900 0.155 0.000 1.189 326 G CA 0.854 45.933 45.100 -0.035 0.000 0.796 326 G HN 0.424 nan 8.290 nan 0.000 0.532 327 Y N 0.724 120.858 120.300 -0.276 0.000 2.256 327 Y HA 0.022 4.577 4.550 0.009 0.000 0.288 327 Y C 2.842 178.760 175.900 0.031 0.000 1.155 327 Y CA 0.691 58.651 58.100 -0.233 0.000 1.203 327 Y CB -0.336 37.996 38.460 -0.213 0.000 0.980 327 Y HN 0.143 nan 8.280 nan 0.000 0.530 328 M N -1.273 118.437 119.600 0.184 0.000 2.561 328 M HA 0.004 4.489 4.480 0.008 0.000 0.238 328 M C 0.806 177.293 176.300 0.311 0.000 1.131 328 M CA 0.257 55.681 55.300 0.206 0.000 1.046 328 M CB -0.077 32.626 32.600 0.171 0.000 1.532 328 M HN -0.122 nan 8.290 nan 0.000 0.497 329 T N 2.201 116.967 114.554 0.352 0.000 2.916 329 T HA 0.073 4.428 4.350 0.008 0.000 0.303 329 T C 0.125 174.994 174.700 0.282 0.000 1.025 329 T CA -0.081 62.255 62.100 0.393 0.000 1.142 329 T CB 0.241 69.409 68.868 0.499 0.000 0.947 329 T HN 0.212 nan 8.240 nan 0.000 0.544 330 N N 5.326 124.161 118.700 0.226 0.000 2.499 330 N HA 0.342 5.087 4.740 0.008 0.000 0.281 330 N C -2.642 172.925 175.510 0.094 0.000 1.098 330 N CA -1.808 51.327 53.050 0.142 0.000 0.979 330 N CB 0.943 39.496 38.487 0.110 0.000 1.121 330 N HN 0.360 nan 8.380 nan 0.000 0.466 331 P HA 0.115 nan 4.420 nan 0.000 0.271 331 P C 0.430 177.720 177.300 -0.015 0.000 1.226 331 P CA -0.290 62.804 63.100 -0.010 0.000 0.765 331 P CB 0.652 32.334 31.700 -0.029 0.000 0.835 332 L N 2.194 123.403 121.223 -0.024 0.000 2.554 332 L HA -0.020 4.325 4.340 0.008 0.000 0.226 332 L C 2.177 179.018 176.870 -0.048 0.000 1.137 332 L CA 1.055 55.911 54.840 0.026 0.000 0.863 332 L CB -1.920 40.242 42.059 0.171 0.000 0.985 332 L HN 0.382 nan 8.230 nan 0.000 0.451 333 S N 0.302 115.867 115.700 -0.224 0.000 2.460 333 S HA -0.209 4.266 4.470 0.008 0.000 0.241 333 S C 1.392 175.940 174.600 -0.087 0.000 1.051 333 S CA 1.333 59.373 58.200 -0.266 0.000 1.223 333 S CB -0.228 62.830 63.200 -0.237 0.000 1.160 333 S HN 0.261 nan 8.310 nan 0.000 0.424 334 L N -0.362 120.829 121.223 -0.052 0.000 2.636 334 L HA 0.346 4.691 4.340 0.008 0.000 0.163 334 L C 2.324 179.199 176.870 0.009 0.000 1.052 334 L CA 0.237 55.069 54.840 -0.012 0.000 1.170 334 L CB -0.998 41.058 42.059 -0.005 0.000 1.864 334 L HN 0.657 nan 8.230 nan 0.000 0.472 335 G N -1.697 107.112 108.800 0.016 0.000 2.587 335 G HA2 -0.392 3.573 3.960 0.008 0.000 0.246 335 G HA3 -0.392 3.573 3.960 0.008 0.000 0.246 335 G C 0.728 175.640 174.900 0.019 0.000 1.058 335 G CA 0.347 45.459 45.100 0.019 0.000 0.658 335 G HN 0.710 nan 8.290 nan 0.000 0.538 336 C N -0.406 118.910 119.300 0.026 0.000 4.588 336 C HA -0.158 4.307 4.460 0.008 0.000 0.295 336 C C 1.519 176.525 174.990 0.027 0.000 1.316 336 C CA 0.896 59.930 59.018 0.027 0.000 2.041 336 C CB -2.474 25.276 27.740 0.016 0.000 1.224 336 C HN 0.816 nan 8.230 nan 0.000 0.779 337 D N -0.335 120.090 120.400 0.041 0.000 2.149 337 D HA 0.038 4.683 4.640 0.008 0.000 0.201 337 D C 0.742 177.071 176.300 0.048 0.000 0.972 337 D CA 1.232 55.263 54.000 0.052 0.000 0.835 337 D CB 0.081 40.918 40.800 0.062 0.000 0.966 337 D HN 0.659 nan 8.370 nan 0.000 0.476 338 c N 1.910 120.525 118.600 0.025 0.000 2.258 338 c HA 0.361 4.936 4.570 0.008 0.000 0.321 338 c C 0.095 174.110 174.090 -0.124 0.000 1.168 338 c CA -1.539 54.732 56.329 -0.096 0.000 1.531 338 c CB -0.411 42.034 42.510 -0.108 0.000 2.095 338 c HN 0.142 nan 8.230 nan 0.000 0.449 339 K N 2.781 123.097 120.400 -0.140 0.000 2.172 339 K HA 0.619 4.944 4.320 0.008 0.000 0.276 339 K C 0.625 177.169 176.600 -0.093 0.000 1.013 339 K CA 0.736 56.978 56.287 -0.075 0.000 0.913 339 K CB 0.730 33.216 32.500 -0.024 0.000 1.055 339 K HN 1.051 nan 8.250 nan 0.000 0.461 340 G N 1.027 109.808 108.800 -0.031 0.000 2.447 340 G HA2 -0.190 3.776 3.960 0.008 0.000 0.220 340 G HA3 -0.190 3.776 3.960 0.008 0.000 0.220 340 G C -1.192 173.717 174.900 0.014 0.000 1.261 340 G CA -0.554 44.554 45.100 0.012 0.000 1.000 340 G HN 0.467 nan 8.290 nan 0.000 0.515 341 V N 2.107 122.057 119.914 0.060 0.000 2.370 341 V HA 0.362 4.487 4.120 0.008 0.000 0.257 341 V C 0.637 176.783 176.094 0.087 0.000 1.064 341 V CA -0.248 62.090 62.300 0.064 0.000 0.975 341 V CB 0.147 32.013 31.823 0.071 0.000 1.067 341 V HN 0.544 nan 8.190 nan 0.000 0.485 342 I N 4.182 124.743 120.570 -0.015 0.000 2.498 342 I HA 0.462 4.637 4.170 0.008 0.000 0.301 342 I C 0.024 176.045 176.117 -0.160 0.000 0.984 342 I CA -0.436 60.770 61.300 -0.155 0.000 1.204 342 I CB 1.433 39.135 38.000 -0.497 0.000 1.362 342 I HN 0.533 nan 8.210 nan 0.000 0.471 343 H N 5.494 124.419 119.070 -0.241 0.000 2.589 343 H HA 0.434 4.995 4.556 0.009 0.000 0.335 343 H C -1.664 173.491 175.328 -0.289 0.000 1.019 343 H CA -0.324 55.654 56.048 -0.117 0.000 1.213 343 H CB 1.095 30.945 29.762 0.147 0.000 1.472 343 H HN 0.364 nan 8.280 nan 0.000 0.508 344 Y N 3.490 123.794 120.300 0.006 0.000 2.534 344 Y HA 0.466 5.021 4.550 0.008 0.000 0.329 344 Y C 0.037 175.959 175.900 0.035 0.000 1.154 344 Y CA -0.800 57.318 58.100 0.030 0.000 1.192 344 Y CB 1.692 40.121 38.460 -0.052 0.000 1.275 344 Y HN 0.399 nan 8.280 nan 0.000 0.491 345 L N 1.890 123.212 121.223 0.166 0.000 2.401 345 L HA 0.452 4.797 4.340 0.008 0.000 0.266 345 L C -1.244 175.545 176.870 -0.135 0.000 0.991 345 L CA -0.990 53.857 54.840 0.011 0.000 0.818 345 L CB 2.140 44.175 42.059 -0.040 0.000 1.321 345 L HN 0.578 nan 8.230 nan 0.000 0.413 346 D N 1.333 121.607 120.400 -0.210 0.000 2.268 346 D HA 0.665 5.310 4.640 0.008 0.000 0.249 346 D C -0.419 175.490 176.300 -0.652 0.000 1.008 346 D CA -0.200 53.572 54.000 -0.380 0.000 0.939 346 D CB 2.359 42.969 40.800 -0.317 0.000 1.170 346 D HN 0.555 nan 8.370 nan 0.000 0.468 347 A N 1.245 123.587 122.820 -0.797 0.000 2.355 347 A HA 0.594 4.919 4.320 0.008 0.000 0.324 347 A C -0.968 175.950 177.584 -1.111 0.000 1.117 347 A CA -0.663 50.834 52.037 -0.900 0.000 0.785 347 A CB 1.051 19.552 19.000 -0.831 0.000 1.254 347 A HN 0.556 nan 8.150 nan 0.000 0.453 348 H N 1.210 119.948 119.070 -0.553 0.000 2.609 348 H HA 0.643 5.204 4.556 0.008 0.000 0.344 348 H C -1.402 173.711 175.328 -0.358 0.000 1.040 348 H CA -0.219 55.580 56.048 -0.416 0.000 1.216 348 H CB 1.253 30.926 29.762 -0.148 0.000 1.529 348 H HN 0.534 nan 8.280 nan 0.000 0.519 349 F N -0.091 120.018 119.950 0.265 0.000 2.764 349 F HA 0.477 5.009 4.527 0.008 0.000 0.347 349 F C 0.725 176.630 175.800 0.174 0.000 1.151 349 F CA -1.082 57.074 58.000 0.259 0.000 1.021 349 F CB 1.017 40.270 39.000 0.422 0.000 1.438 349 F HN 0.323 nan 8.300 nan 0.000 0.516 350 S N -0.346 115.583 115.700 0.381 0.000 2.532 350 S HA 0.603 5.078 4.470 0.008 0.000 0.301 350 S C -1.268 173.432 174.600 0.165 0.000 1.083 350 S CA -0.717 57.585 58.200 0.171 0.000 1.025 350 S CB 0.827 64.058 63.200 0.053 0.000 1.056 350 S HN 0.599 nan 8.310 nan 0.000 0.494 351 D N 1.796 122.253 120.400 0.096 0.000 2.478 351 D HA 0.313 4.958 4.640 0.008 0.000 0.263 351 D C 1.176 177.539 176.300 0.105 0.000 1.153 351 D CA -0.794 53.254 54.000 0.081 0.000 1.038 351 D CB 0.262 41.100 40.800 0.063 0.000 1.120 351 D HN 0.524 nan 8.370 nan 0.000 0.564 352 R N -0.506 120.048 120.500 0.090 0.000 2.117 352 R HA -0.176 4.169 4.340 0.008 0.000 0.243 352 R C 1.683 178.107 176.300 0.207 0.000 1.143 352 R CA 1.599 57.775 56.100 0.126 0.000 0.968 352 R CB -0.585 29.751 30.300 0.060 0.000 0.863 352 R HN 0.567 nan 8.270 nan 0.000 0.444 353 A N -0.687 122.221 122.820 0.146 0.000 2.167 353 A HA 0.158 4.483 4.320 0.008 0.000 0.214 353 A C 1.417 179.084 177.584 0.139 0.000 1.151 353 A CA 0.982 53.109 52.037 0.151 0.000 0.735 353 A CB -0.088 18.957 19.000 0.075 0.000 0.802 353 A HN 0.604 nan 8.150 nan 0.000 0.467 354 G N -0.878 107.934 108.800 0.020 0.000 2.159 354 G HA2 -0.165 3.800 3.960 0.008 0.000 0.227 354 G HA3 -0.165 3.800 3.960 0.008 0.000 0.227 354 G C -0.427 174.324 174.900 -0.248 0.000 0.986 354 G CA 0.122 44.969 45.100 -0.422 0.000 0.651 354 G HN 0.471 nan 8.290 nan 0.000 0.523 355 D N 1.304 121.651 120.400 -0.089 0.000 2.210 355 D HA 0.454 5.099 4.640 0.008 0.000 0.249 355 D C -2.428 173.862 176.300 -0.018 0.000 1.078 355 D CA -1.234 52.735 54.000 -0.052 0.000 0.875 355 D CB 1.545 42.336 40.800 -0.014 0.000 1.175 355 D HN 0.037 nan 8.370 nan 0.000 0.440 356 P HA 0.131 nan 4.420 nan 0.000 0.268 356 P C -0.461 176.873 177.300 0.057 0.000 1.204 356 P CA 0.048 63.161 63.100 0.021 0.000 0.768 356 P CB 0.457 32.142 31.700 -0.026 0.000 0.842 357 I N -0.918 119.721 120.570 0.116 0.000 2.569 357 I HA 0.651 4.826 4.170 0.008 0.000 0.296 357 I C -0.703 175.484 176.117 0.116 0.000 1.028 357 I CA -0.635 60.739 61.300 0.124 0.000 1.082 357 I CB 2.511 40.614 38.000 0.172 0.000 1.264 357 I HN 0.057 nan 8.210 nan 0.000 0.429 358 T N 4.346 118.952 114.554 0.087 0.000 2.863 358 T HA 0.445 4.800 4.350 0.008 0.000 0.285 358 T C -0.768 173.910 174.700 -0.036 0.000 1.009 358 T CA -0.568 61.551 62.100 0.031 0.000 0.989 358 T CB 2.293 71.232 68.868 0.118 0.000 1.004 358 T HN 0.550 nan 8.240 nan 0.000 0.455 359 V N 4.570 124.391 119.914 -0.156 0.000 2.326 359 V HA 0.458 4.583 4.120 0.008 0.000 0.281 359 V C -0.368 175.623 176.094 -0.172 0.000 1.015 359 V CA -0.746 61.501 62.300 -0.089 0.000 0.823 359 V CB 0.609 32.435 31.823 0.004 0.000 1.009 359 V HN 0.730 nan 8.190 nan 0.000 0.436 360 K N 4.816 125.142 120.400 -0.123 0.000 2.237 360 K HA 0.348 4.674 4.320 0.008 0.000 0.270 360 K C 0.514 177.006 176.600 -0.180 0.000 1.015 360 K CA 0.028 56.223 56.287 -0.153 0.000 0.949 360 K CB 0.308 32.733 32.500 -0.125 0.000 0.976 360 K HN 0.876 nan 8.250 nan 0.000 0.472 361 N N 0.438 119.015 118.700 -0.204 0.000 2.725 361 N HA -0.263 4.483 4.740 0.008 0.000 0.251 361 N C 0.377 175.841 175.510 -0.077 0.000 1.031 361 N CA 0.180 53.106 53.050 -0.207 0.000 0.720 361 N CB -0.687 37.451 38.487 -0.581 0.000 0.930 361 N HN 0.738 nan 8.380 nan 0.000 0.543 362 A N -0.492 122.243 122.820 -0.142 0.000 1.968 362 A HA 0.149 4.474 4.320 0.008 0.000 0.217 362 A C 0.903 178.439 177.584 -0.081 0.000 1.169 362 A CA 1.100 53.034 52.037 -0.172 0.000 0.638 362 A CB 0.639 19.342 19.000 -0.494 0.000 0.812 362 A HN 0.174 nan 8.150 nan 0.000 0.446 363 V N -0.022 119.853 119.914 -0.064 0.000 2.487 363 V HA 0.396 4.522 4.120 0.008 0.000 0.298 363 V C -0.215 175.962 176.094 0.138 0.000 1.028 363 V CA -0.847 61.483 62.300 0.049 0.000 0.860 363 V CB 0.977 32.799 31.823 -0.002 0.000 0.991 363 V HN 0.552 nan 8.190 nan 0.000 0.427 364 c N 5.926 124.600 118.600 0.123 0.000 2.411 364 c HA 0.884 5.459 4.570 0.008 0.000 0.330 364 c C -0.538 173.561 174.090 0.014 0.000 1.224 364 c CA -0.633 55.697 56.329 0.001 0.000 1.770 364 c CB 0.023 42.520 42.510 -0.022 0.000 2.297 364 c HN 0.795 nan 8.230 nan 0.000 0.507 365 I N 5.971 126.506 120.570 -0.058 0.000 2.545 365 I HA 0.646 4.821 4.170 0.008 0.000 0.292 365 I C -0.350 175.753 176.117 -0.023 0.000 1.040 365 I CA -0.123 61.113 61.300 -0.107 0.000 1.068 365 I CB 1.904 39.710 38.000 -0.324 0.000 1.251 365 I HN 0.988 nan 8.210 nan 0.000 0.424 366 H N 3.787 122.682 119.070 -0.292 0.000 2.935 366 H HA 0.422 4.984 4.556 0.009 0.000 0.297 366 H C -2.049 173.210 175.328 -0.116 0.000 1.423 366 H CA -1.156 54.842 56.048 -0.084 0.000 1.161 366 H CB 1.080 30.846 29.762 0.008 0.000 1.841 366 H HN 0.635 nan 8.280 nan 0.000 0.506 367 E N 1.139 121.340 120.200 0.002 0.000 2.207 367 E HA 0.657 5.012 4.350 0.008 0.000 0.270 367 E C -0.967 175.637 176.600 0.007 0.000 0.927 367 E CA -0.950 55.394 56.400 -0.094 0.000 0.799 367 E CB 2.760 32.553 29.700 0.154 0.000 1.172 367 E HN 0.640 nan 8.360 nan 0.000 0.404 368 E N 0.851 121.033 120.200 -0.029 0.000 2.416 368 E HA 0.161 4.516 4.350 0.008 0.000 0.273 368 E C -1.316 175.318 176.600 0.057 0.000 0.935 368 E CA -0.950 55.474 56.400 0.040 0.000 0.784 368 E CB 1.963 31.673 29.700 0.016 0.000 1.301 368 E HN 0.554 nan 8.360 nan 0.000 0.454 369 D N 0.797 121.232 120.400 0.059 0.000 2.372 369 D HA -0.001 4.644 4.640 0.008 0.000 0.243 369 D C -0.719 175.601 176.300 0.033 0.000 1.121 369 D CA 0.329 54.360 54.000 0.053 0.000 0.898 369 D CB 1.053 41.877 40.800 0.039 0.000 1.202 369 D HN 0.364 nan 8.370 nan 0.000 0.428 370 D N 1.693 122.113 120.400 0.034 0.000 2.895 370 D HA 0.321 4.966 4.640 0.008 0.000 0.350 370 D C 0.516 176.820 176.300 0.008 0.000 1.389 370 D CA 0.415 54.426 54.000 0.018 0.000 0.812 370 D CB -0.103 40.718 40.800 0.035 0.000 1.164 370 D HN 0.726 nan 8.370 nan 0.000 0.455 371 G N 0.279 109.079 108.800 0.001 0.000 2.562 371 G HA2 -0.257 3.709 3.960 0.008 0.000 0.250 371 G HA3 -0.257 3.709 3.960 0.008 0.000 0.250 371 G C -0.352 174.534 174.900 -0.022 0.000 1.269 371 G CA -0.218 44.876 45.100 -0.009 0.000 0.919 371 G HN 0.320 nan 8.290 nan 0.000 0.574 372 L N 0.387 121.593 121.223 -0.028 0.000 2.371 372 L HA 0.417 4.762 4.340 0.008 0.000 0.272 372 L C 1.717 178.541 176.870 -0.076 0.000 1.124 372 L CA -0.691 54.115 54.840 -0.057 0.000 0.816 372 L CB 1.188 43.230 42.059 -0.028 0.000 1.129 372 L HN 0.581 nan 8.230 nan 0.000 0.448 373 L N 3.855 124.955 121.223 -0.204 0.000 2.168 373 L HA 0.249 4.594 4.340 0.008 0.000 0.203 373 L C -0.152 176.649 176.870 -0.115 0.000 1.078 373 L CA 1.321 56.016 54.840 -0.242 0.000 0.780 373 L CB 0.192 41.934 42.059 -0.528 0.000 0.939 373 L HN 0.574 nan 8.230 nan 0.000 0.451 374 F N -2.615 117.357 119.950 0.037 0.000 2.770 374 F HA 0.582 5.114 4.527 0.008 0.000 0.313 374 F C -0.810 175.020 175.800 0.050 0.000 1.154 374 F CA -1.739 56.284 58.000 0.038 0.000 0.923 374 F CB 0.557 39.575 39.000 0.031 0.000 1.301 374 F HN -0.177 nan 8.300 nan 0.000 0.449 375 K N 0.784 121.396 120.400 0.353 0.000 2.578 375 K HA 0.601 4.926 4.320 0.008 0.000 0.269 375 K C -2.565 174.194 176.600 0.264 0.000 0.941 375 K CA -0.828 55.613 56.287 0.257 0.000 0.847 375 K CB 2.346 34.923 32.500 0.127 0.000 1.397 375 K HN 1.117 nan 8.250 nan 0.000 0.422 376 H N 0.068 119.207 119.070 0.115 0.000 3.129 376 H HA 0.454 5.016 4.556 0.009 0.000 0.342 376 H C -2.009 173.379 175.328 0.100 0.000 1.092 376 H CA -0.246 55.854 56.048 0.086 0.000 1.310 376 H CB 1.877 31.683 29.762 0.073 0.000 1.932 376 H HN 0.512 nan 8.280 nan 0.000 0.507 377 S N 3.354 118.697 115.700 -0.595 0.000 2.542 377 S HA 0.238 4.713 4.470 0.008 0.000 0.293 377 S C -1.235 173.182 174.600 -0.304 0.000 1.089 377 S CA -0.915 57.111 58.200 -0.290 0.000 0.961 377 S CB 1.687 64.864 63.200 -0.038 0.000 1.062 377 S HN 0.664 nan 8.310 nan 0.000 0.483 378 D N 1.566 121.923 120.400 -0.072 0.000 2.280 378 D HA 0.222 4.867 4.640 0.008 0.000 0.243 378 D C 0.844 177.137 176.300 -0.012 0.000 1.129 378 D CA -0.812 53.155 54.000 -0.055 0.000 0.848 378 D CB 0.588 41.313 40.800 -0.124 0.000 1.107 378 D HN 0.448 nan 8.370 nan 0.000 0.471 379 F N 3.638 123.617 119.950 0.047 0.000 2.365 379 F HA 0.062 4.594 4.527 0.008 0.000 0.300 379 F C 1.830 177.480 175.800 -0.251 0.000 1.090 379 F CA 0.345 58.200 58.000 -0.242 0.000 1.408 379 F CB -0.347 38.616 39.000 -0.062 0.000 1.060 379 F HN 0.222 nan 8.300 nan 0.000 0.534 380 R N 0.961 120.902 120.500 -0.932 0.000 2.105 380 R HA -0.155 4.190 4.340 0.008 0.000 0.239 380 R C 0.414 176.548 176.300 -0.275 0.000 1.135 380 R CA 1.646 57.385 56.100 -0.601 0.000 0.967 380 R CB -0.775 29.169 30.300 -0.594 0.000 0.861 380 R HN 0.537 nan 8.270 nan 0.000 0.442 381 D N -1.605 118.651 120.400 -0.238 0.000 2.772 381 D HA 0.018 4.663 4.640 0.008 0.000 0.272 381 D C -0.550 175.652 176.300 -0.162 0.000 1.314 381 D CA -0.494 53.417 54.000 -0.150 0.000 0.835 381 D CB -0.795 39.948 40.800 -0.095 0.000 1.080 381 D HN 0.122 nan 8.370 nan 0.000 0.482 382 N N 1.073 119.598 118.700 -0.292 0.000 2.727 382 N HA -0.284 4.461 4.740 0.008 0.000 0.249 382 N C -0.671 174.621 175.510 -0.364 0.000 1.048 382 N CA 0.308 53.084 53.050 -0.456 0.000 0.714 382 N CB -0.881 37.480 38.487 -0.211 0.000 0.959 382 N HN 0.220 nan 8.380 nan 0.000 0.544 383 F N -4.640 115.314 119.950 0.006 0.000 2.840 383 F HA -0.329 4.203 4.527 0.008 0.000 0.310 383 F C 1.693 177.499 175.800 0.011 0.000 0.688 383 F CA 0.809 58.806 58.000 -0.005 0.000 1.286 383 F CB -2.198 36.806 39.000 0.006 0.000 1.612 383 F HN 0.308 nan 8.300 nan 0.000 0.335 384 A N -1.058 121.831 122.820 0.116 0.000 1.898 384 A HA -0.029 4.296 4.320 0.008 0.000 0.216 384 A C 1.477 179.134 177.584 0.122 0.000 1.181 384 A CA 1.913 54.016 52.037 0.110 0.000 0.620 384 A CB -0.486 18.543 19.000 0.048 0.000 0.819 384 A HN 0.347 nan 8.150 nan 0.000 0.442 385 T N 1.035 115.630 114.554 0.070 0.000 2.738 385 T HA 0.441 4.796 4.350 0.008 0.000 0.293 385 T C -0.259 174.487 174.700 0.077 0.000 0.913 385 T CA 0.590 62.718 62.100 0.047 0.000 1.103 385 T CB 0.162 69.028 68.868 -0.002 0.000 0.880 385 T HN 0.326 nan 8.240 nan 0.000 0.526 386 S N 3.553 119.318 115.700 0.108 0.000 2.537 386 S HA 0.709 5.184 4.470 0.008 0.000 0.271 386 S C -1.815 172.869 174.600 0.140 0.000 1.148 386 S CA -0.881 57.401 58.200 0.136 0.000 0.868 386 S CB 1.131 64.465 63.200 0.224 0.000 1.115 386 S HN 0.660 nan 8.310 nan 0.000 0.461 387 L N 4.157 125.470 121.223 0.150 0.000 2.438 387 L HA 0.873 5.218 4.340 0.008 0.000 0.270 387 L C -1.806 175.189 176.870 0.208 0.000 0.972 387 L CA -0.487 54.448 54.840 0.158 0.000 0.831 387 L CB 1.742 43.891 42.059 0.149 0.000 1.273 387 L HN 0.553 nan 8.230 nan 0.000 0.405 388 V N 2.904 122.936 119.914 0.196 0.000 2.577 388 V HA 0.597 4.723 4.120 0.008 0.000 0.303 388 V C -0.471 175.656 176.094 0.056 0.000 1.042 388 V CA -0.406 61.979 62.300 0.140 0.000 0.872 388 V CB 2.096 33.997 31.823 0.131 0.000 0.998 388 V HN 0.782 nan 8.190 nan 0.000 0.423 389 T N 4.768 119.260 114.554 -0.103 0.000 2.840 389 T HA 0.488 4.843 4.350 0.008 0.000 0.287 389 T C -0.152 174.360 174.700 -0.314 0.000 0.991 389 T CA -0.644 61.291 62.100 -0.275 0.000 0.964 389 T CB 1.237 69.730 68.868 -0.625 0.000 0.954 389 T HN 0.532 nan 8.240 nan 0.000 0.438 390 R N 1.421 121.822 120.500 -0.165 0.000 2.531 390 R HA 0.708 5.053 4.340 0.008 0.000 0.273 390 R C 0.070 176.301 176.300 -0.116 0.000 1.070 390 R CA -0.561 55.470 56.100 -0.114 0.000 1.112 390 R CB 0.850 31.125 30.300 -0.042 0.000 1.049 390 R HN 0.688 nan 8.270 nan 0.000 0.508 391 A N 1.035 123.816 122.820 -0.066 0.000 2.312 391 A HA 0.460 4.785 4.320 0.008 0.000 0.328 391 A C -0.333 177.295 177.584 0.074 0.000 1.158 391 A CA -0.368 51.666 52.037 -0.005 0.000 0.821 391 A CB 1.694 20.698 19.000 0.008 0.000 1.170 391 A HN 0.581 nan 8.150 nan 0.000 0.490 392 T N 0.862 115.518 114.554 0.169 0.000 2.886 392 T HA 0.595 4.950 4.350 0.008 0.000 0.292 392 T C -0.794 174.149 174.700 0.404 0.000 1.012 392 T CA -0.721 61.531 62.100 0.253 0.000 0.982 392 T CB 0.643 69.694 68.868 0.304 0.000 1.018 392 T HN 0.844 nan 8.240 nan 0.000 0.451 393 K N 3.891 124.416 120.400 0.209 0.000 2.267 393 K HA 0.674 4.999 4.320 0.008 0.000 0.246 393 K C -1.149 175.238 176.600 -0.355 0.000 0.954 393 K CA -1.213 55.105 56.287 0.050 0.000 0.824 393 K CB 1.786 34.283 32.500 -0.004 0.000 1.167 393 K HN 0.413 nan 8.250 nan 0.000 0.431 394 L N 3.420 124.152 121.223 -0.819 0.000 2.287 394 L HA 0.397 4.742 4.340 0.008 0.000 0.287 394 L C -1.306 175.286 176.870 -0.462 0.000 1.022 394 L CA -0.699 53.543 54.840 -0.997 0.000 0.814 394 L CB 1.545 42.568 42.059 -1.726 0.000 1.217 394 L HN 0.584 nan 8.230 nan 0.000 0.420 395 V N 5.975 125.614 119.914 -0.458 0.000 2.417 395 V HA 0.419 4.544 4.120 0.008 0.000 0.291 395 V C -0.050 175.993 176.094 -0.086 0.000 1.024 395 V CA -0.684 61.483 62.300 -0.222 0.000 0.861 395 V CB 1.995 33.650 31.823 -0.279 0.000 0.985 395 V HN 0.508 nan 8.190 nan 0.000 0.436 396 V N 3.994 123.968 119.914 0.100 0.000 2.334 396 V HA 0.631 4.756 4.120 0.008 0.000 0.281 396 V C 0.087 176.328 176.094 0.244 0.000 1.016 396 V CA -0.050 62.337 62.300 0.146 0.000 0.832 396 V CB 1.443 33.379 31.823 0.188 0.000 0.999 396 V HN 0.892 nan 8.190 nan 0.000 0.439 397 S N 4.249 120.054 115.700 0.175 0.000 2.632 397 S HA 0.874 5.349 4.470 0.008 0.000 0.289 397 S C -1.067 173.588 174.600 0.091 0.000 1.115 397 S CA -0.570 57.677 58.200 0.079 0.000 0.889 397 S CB 2.162 65.338 63.200 -0.040 0.000 1.116 397 S HN 0.924 nan 8.310 nan 0.000 0.486 398 Q N 1.707 121.528 119.800 0.035 0.000 2.482 398 Q HA 0.710 5.055 4.340 0.008 0.000 0.286 398 Q C -1.786 174.242 176.000 0.046 0.000 1.007 398 Q CA -0.946 54.941 55.803 0.140 0.000 0.801 398 Q CB 1.402 30.350 28.738 0.350 0.000 1.455 398 Q HN 0.630 nan 8.270 nan 0.000 0.398 399 I N 2.659 123.296 120.570 0.112 0.000 2.512 399 I HA 0.494 4.669 4.170 0.008 0.000 0.287 399 I C -1.211 175.022 176.117 0.193 0.000 1.069 399 I CA -0.886 60.444 61.300 0.050 0.000 1.056 399 I CB 1.381 39.378 38.000 -0.004 0.000 1.229 399 I HN 0.691 nan 8.210 nan 0.000 0.429 400 F N 3.128 123.163 119.950 0.142 0.000 2.538 400 F HA 0.802 5.334 4.527 0.008 0.000 0.325 400 F C -0.512 175.391 175.800 0.171 0.000 1.066 400 F CA -0.804 57.292 58.000 0.160 0.000 0.946 400 F CB 1.482 40.580 39.000 0.164 0.000 1.199 400 F HN 0.137 nan 8.300 nan 0.000 0.473 401 T N 2.296 117.082 114.554 0.387 0.000 2.779 401 T HA 0.675 5.030 4.350 0.008 0.000 0.280 401 T C -0.396 174.476 174.700 0.287 0.000 0.987 401 T CA -0.438 61.803 62.100 0.236 0.000 0.966 401 T CB 1.218 70.167 68.868 0.135 0.000 0.933 401 T HN 0.910 nan 8.240 nan 0.000 0.442 402 A N 2.790 125.763 122.820 0.255 0.000 2.801 402 A HA 0.757 5.082 4.320 0.008 0.000 0.344 402 A C 1.182 178.751 177.584 -0.025 0.000 1.322 402 A CA 0.073 52.184 52.037 0.122 0.000 0.913 402 A CB -0.987 18.197 19.000 0.306 0.000 1.140 402 A HN 1.477 nan 8.150 nan 0.000 0.487 403 A N 1.855 124.637 122.820 -0.064 0.000 4.919 403 A HA -0.305 4.020 4.320 0.008 0.000 0.331 403 A C 0.988 178.609 177.584 0.061 0.000 1.849 403 A CA 1.649 53.688 52.037 0.003 0.000 0.713 403 A CB -2.042 16.946 19.000 -0.020 0.000 1.393 403 A HN 1.493 nan 8.150 nan 0.000 0.393 407 Y N 0.248 120.213 120.300 -0.557 0.000 2.328 407 Y HA 0.368 4.923 4.550 0.008 0.000 0.333 407 Y C 0.012 175.630 175.900 -0.470 0.000 0.958 407 Y CA -0.701 57.044 58.100 -0.590 0.000 1.167 407 Y CB 1.391 39.240 38.460 -1.019 0.000 1.151 407 Y HN 0.482 nan 8.280 nan 0.000 0.470 408 C N 5.851 125.046 119.300 -0.175 0.000 2.255 408 C HA 0.577 5.042 4.460 0.008 0.000 0.326 408 C C -0.010 174.810 174.990 -0.283 0.000 1.258 408 C CA -1.174 57.716 59.018 -0.212 0.000 1.676 408 C CB -1.184 26.530 27.740 -0.043 0.000 2.314 408 C HN 0.634 nan 8.230 nan 0.000 0.509 409 L N 3.918 124.904 121.223 -0.396 0.000 2.296 409 L HA 0.523 4.868 4.340 0.008 0.000 0.286 409 L C -1.058 175.487 176.870 -0.542 0.000 1.023 409 L CA -0.442 54.197 54.840 -0.336 0.000 0.812 409 L CB 0.673 42.680 42.059 -0.087 0.000 1.223 409 L HN 0.594 nan 8.230 nan 0.000 0.421 410 Y N 0.801 120.963 120.300 -0.231 0.000 2.332 410 Y HA 0.316 4.871 4.550 0.008 0.000 0.326 410 Y C -0.861 174.860 175.900 -0.298 0.000 0.978 410 Y CA -0.736 57.272 58.100 -0.154 0.000 1.205 410 Y CB 1.102 39.495 38.460 -0.110 0.000 1.131 410 Y HN 0.462 nan 8.280 nan 0.000 0.462 411 W N 3.652 124.963 121.300 0.019 0.000 2.331 411 W HA 0.639 5.304 4.660 0.008 0.000 0.306 411 W C -0.908 175.538 176.519 -0.122 0.000 1.162 411 W CA -0.745 56.537 57.345 -0.105 0.000 1.232 411 W CB 1.141 30.542 29.460 -0.098 0.000 1.235 411 W HN 0.140 nan 8.180 nan 0.000 0.479 412 V N 5.259 125.119 119.914 -0.090 0.000 2.409 412 V HA 0.411 4.536 4.120 0.008 0.000 0.291 412 V C -0.578 175.341 176.094 -0.292 0.000 1.020 412 V CA -1.123 61.101 62.300 -0.125 0.000 0.848 412 V CB 0.666 32.420 31.823 -0.115 0.000 0.990 412 V HN 0.199 nan 8.190 nan 0.000 0.430 413 F N 4.617 124.436 119.950 -0.218 0.000 2.421 413 F HA 0.716 5.248 4.527 0.008 0.000 0.337 413 F C 0.358 176.255 175.800 0.161 0.000 1.105 413 F CA -0.422 57.470 58.000 -0.180 0.000 1.049 413 F CB 1.655 40.433 39.000 -0.371 0.000 1.139 413 F HN 0.280 nan 8.300 nan 0.000 0.479 414 M N 2.062 121.987 119.600 0.541 0.000 2.662 414 M HA 0.317 4.802 4.480 0.008 0.000 0.310 414 M C 0.554 177.271 176.300 0.695 0.000 1.204 414 M CA -0.626 55.017 55.300 0.571 0.000 0.891 414 M CB 2.130 34.906 32.600 0.294 0.000 1.732 414 M HN 0.572 nan 8.290 nan 0.000 0.467 415 Q N 0.791 120.873 119.800 0.470 0.000 2.515 415 Q HA -0.098 4.247 4.340 0.008 0.000 0.212 415 Q C 0.194 176.293 176.000 0.166 0.000 0.970 415 Q CA 0.590 56.544 55.803 0.251 0.000 0.941 415 Q CB -0.068 28.740 28.738 0.116 0.000 0.998 415 Q HN 0.603 nan 8.270 nan 0.000 0.518 416 D N -1.627 118.887 120.400 0.191 0.000 2.363 416 D HA 0.078 4.723 4.640 0.008 0.000 0.214 416 D C 1.111 177.446 176.300 0.057 0.000 1.093 416 D CA 0.527 54.581 54.000 0.090 0.000 0.837 416 D CB 0.370 41.237 40.800 0.111 0.000 0.948 416 D HN 0.193 nan 8.370 nan 0.000 0.507 417 G N -0.087 108.828 108.800 0.192 0.000 2.176 417 G HA2 -0.169 3.796 3.960 0.008 0.000 0.253 417 G HA3 -0.169 3.796 3.960 0.008 0.000 0.253 417 G C 0.524 175.771 174.900 0.578 0.000 0.979 417 G CA 0.148 45.409 45.100 0.267 0.000 0.641 417 G HN 0.818 nan 8.290 nan 0.000 0.530 418 A N -0.250 122.812 122.820 0.402 0.000 2.304 418 A HA 0.797 5.122 4.320 0.008 0.000 0.271 418 A C 0.173 177.899 177.584 0.237 0.000 1.091 418 A CA -0.023 52.194 52.037 0.301 0.000 0.812 418 A CB 0.549 19.632 19.000 0.138 0.000 1.056 418 A HN 0.805 nan 8.150 nan 0.000 0.489 419 I N 0.904 121.529 120.570 0.090 0.000 2.466 419 I HA 0.465 4.640 4.170 0.008 0.000 0.289 419 I C 0.145 176.152 176.117 -0.183 0.000 1.026 419 I CA -0.332 60.824 61.300 -0.241 0.000 1.078 419 I CB 1.893 39.675 38.000 -0.364 0.000 1.249 419 I HN 0.778 nan 8.210 nan 0.000 0.429 420 R N 6.153 126.504 120.500 -0.249 0.000 2.740 420 R HA 0.662 5.007 4.340 0.008 0.000 0.282 420 R C -1.823 174.303 176.300 -0.289 0.000 0.969 420 R CA -0.725 55.246 56.100 -0.215 0.000 0.918 420 R CB 2.210 32.417 30.300 -0.155 0.000 1.175 420 R HN 0.582 nan 8.270 nan 0.000 0.464 421 L N 3.860 124.863 121.223 -0.367 0.000 2.319 421 L HA 0.461 4.806 4.340 0.008 0.000 0.281 421 L C -1.491 175.134 176.870 -0.407 0.000 1.005 421 L CA -0.630 53.873 54.840 -0.562 0.000 0.828 421 L CB 1.641 43.219 42.059 -0.801 0.000 1.227 421 L HN 0.710 nan 8.230 nan 0.000 0.415 422 D N 6.117 126.335 120.400 -0.302 0.000 2.256 422 D HA 0.552 5.197 4.640 0.008 0.000 0.246 422 D C -0.430 175.829 176.300 -0.068 0.000 1.042 422 D CA -0.036 53.866 54.000 -0.163 0.000 0.841 422 D CB 2.877 43.596 40.800 -0.134 0.000 1.223 422 D HN 0.359 nan 8.370 nan 0.000 0.470 423 I N 1.543 122.067 120.570 -0.077 0.000 2.545 423 I HA 0.368 4.543 4.170 0.008 0.000 0.292 423 I C -0.052 176.055 176.117 -0.015 0.000 1.040 423 I CA -0.746 60.518 61.300 -0.059 0.000 1.068 423 I CB 2.110 39.978 38.000 -0.220 0.000 1.251 423 I HN -0.050 nan 8.210 nan 0.000 0.424 424 R N 6.433 126.956 120.500 0.038 0.000 2.439 424 R HA 0.619 4.964 4.340 0.008 0.000 0.310 424 R C -1.319 174.914 176.300 -0.112 0.000 0.955 424 R CA -0.832 55.257 56.100 -0.018 0.000 0.853 424 R CB 2.161 32.490 30.300 0.050 0.000 1.171 424 R HN 0.493 nan 8.270 nan 0.000 0.449 425 L N 2.091 123.201 121.223 -0.189 0.000 2.289 425 L HA 0.511 4.856 4.340 0.008 0.000 0.285 425 L C 0.617 177.322 176.870 -0.276 0.000 1.049 425 L CA -0.230 54.406 54.840 -0.339 0.000 0.804 425 L CB 1.627 43.424 42.059 -0.436 0.000 1.195 425 L HN 0.655 nan 8.230 nan 0.000 0.428 426 T N 0.912 115.283 114.554 -0.306 0.000 2.598 426 T HA 0.816 5.171 4.350 0.008 0.000 0.289 426 T C -0.096 174.459 174.700 -0.241 0.000 1.056 426 T CA 0.408 62.372 62.100 -0.226 0.000 1.088 426 T CB 1.455 70.213 68.868 -0.183 0.000 1.519 426 T HN 1.011 nan 8.240 nan 0.000 0.488 427 G N 0.309 108.976 108.800 -0.222 0.000 2.466 427 G HA2 -0.023 3.942 3.960 0.008 0.000 0.218 427 G HA3 -0.023 3.942 3.960 0.008 0.000 0.218 427 G C -1.085 173.682 174.900 -0.222 0.000 1.237 427 G CA -0.197 44.771 45.100 -0.220 0.000 0.954 427 G HN 0.933 nan 8.290 nan 0.000 0.580 428 I N 0.857 121.293 120.570 -0.224 0.000 2.569 428 I HA 0.454 4.629 4.170 0.008 0.000 0.296 428 I C 0.712 176.735 176.117 -0.156 0.000 1.028 428 I CA -0.888 60.271 61.300 -0.235 0.000 1.082 428 I CB 1.801 39.549 38.000 -0.419 0.000 1.264 428 I HN 0.504 nan 8.210 nan 0.000 0.429 429 L N 4.722 125.960 121.223 0.025 0.000 2.483 429 L HA 0.039 4.384 4.340 0.008 0.000 0.276 429 L C 0.854 177.753 176.870 0.047 0.000 1.213 429 L CA 0.222 55.131 54.840 0.114 0.000 0.843 429 L CB -0.009 42.180 42.059 0.216 0.000 1.107 429 L HN 0.661 nan 8.230 nan 0.000 0.487 430 N N 1.653 120.417 118.700 0.105 0.000 2.497 430 N HA 0.110 4.855 4.740 0.008 0.000 0.271 430 N C -0.802 174.785 175.510 0.128 0.000 1.142 430 N CA -0.150 52.981 53.050 0.136 0.000 0.965 430 N CB 0.984 39.562 38.487 0.151 0.000 1.077 430 N HN 0.693 nan 8.380 nan 0.000 0.462 431 T N 0.669 115.356 114.554 0.222 0.000 2.906 431 T HA 0.436 4.791 4.350 0.008 0.000 0.295 431 T C -1.089 173.689 174.700 0.131 0.000 1.061 431 T CA -0.736 61.452 62.100 0.145 0.000 1.000 431 T CB 1.583 70.591 68.868 0.234 0.000 1.103 431 T HN 0.487 nan 8.240 nan 0.000 0.486 432 Y N 1.277 121.441 120.300 -0.227 0.000 2.576 432 Y HA 0.682 5.237 4.550 0.009 0.000 0.346 432 Y C -0.574 175.227 175.900 -0.165 0.000 1.018 432 Y CA -2.199 55.747 58.100 -0.256 0.000 1.050 432 Y CB 1.519 39.714 38.460 -0.442 0.000 1.280 432 Y HN 1.003 nan 8.280 nan 0.000 0.474 433 I N 4.466 124.424 120.570 -1.020 0.000 2.696 433 I HA 0.262 4.437 4.170 0.008 0.000 0.284 433 I C -1.324 174.519 176.117 -0.456 0.000 1.129 433 I CA -0.310 60.601 61.300 -0.649 0.000 1.410 433 I CB 0.580 38.214 38.000 -0.609 0.000 1.399 433 I HN 0.610 nan 8.210 nan 0.000 0.579 434 L N 7.067 128.153 121.223 -0.230 0.000 2.409 434 L HA 0.634 4.979 4.340 0.008 0.000 0.272 434 L C 0.000 176.822 176.870 -0.080 0.000 0.980 434 L CA -0.113 54.663 54.840 -0.106 0.000 0.826 434 L CB 1.572 43.586 42.059 -0.074 0.000 1.268 434 L HN 0.628 nan 8.230 nan 0.000 0.407 435 G N 2.392 111.170 108.800 -0.036 0.000 2.594 435 G HA2 0.110 4.075 3.960 0.008 0.000 0.243 435 G HA3 0.110 4.075 3.960 0.008 0.000 0.243 435 G C 0.361 175.249 174.900 -0.020 0.000 1.229 435 G CA -0.164 44.923 45.100 -0.023 0.000 0.843 435 G HN 0.802 nan 8.290 nan 0.000 0.578 436 D N 0.252 120.645 120.400 -0.012 0.000 2.149 436 D HA -0.149 4.496 4.640 0.008 0.000 0.198 436 D C 1.817 178.111 176.300 -0.010 0.000 0.990 436 D CA 1.662 55.658 54.000 -0.007 0.000 0.839 436 D CB 0.130 40.935 40.800 0.007 0.000 0.948 436 D HN 0.670 nan 8.370 nan 0.000 0.460 437 D N 0.243 120.641 120.400 -0.003 0.000 2.350 437 D HA -0.058 4.587 4.640 0.008 0.000 0.213 437 D C 0.595 176.898 176.300 0.005 0.000 1.031 437 D CA -0.026 53.974 54.000 -0.000 0.000 0.861 437 D CB -0.136 40.667 40.800 0.004 0.000 0.926 437 D HN 0.178 nan 8.370 nan 0.000 0.520 438 E N 0.941 121.146 120.200 0.009 0.000 2.338 438 E HA 0.076 4.431 4.350 0.008 0.000 0.272 438 E C -0.620 175.991 176.600 0.018 0.000 1.029 438 E CA -0.393 56.022 56.400 0.025 0.000 0.872 438 E CB 0.846 30.570 29.700 0.040 0.000 1.015 438 E HN -0.034 nan 8.360 nan 0.000 0.417 439 E N 2.841 123.055 120.200 0.025 0.000 2.200 439 E HA 0.220 4.575 4.350 0.008 0.000 0.283 439 E C -0.163 176.457 176.600 0.033 0.000 1.015 439 E CA -0.050 56.356 56.400 0.010 0.000 0.819 439 E CB 1.374 31.069 29.700 -0.009 0.000 1.081 439 E HN 0.519 nan 8.360 nan 0.000 0.397 440 A N 4.344 127.181 122.820 0.028 0.000 2.259 440 A HA 0.236 4.561 4.320 0.008 0.000 0.212 440 A C 1.363 178.976 177.584 0.049 0.000 1.178 440 A CA 0.845 52.925 52.037 0.073 0.000 0.734 440 A CB -1.515 17.519 19.000 0.057 0.000 0.774 440 A HN 1.069 nan 8.150 nan 0.000 0.481 441 G N 0.104 108.884 108.800 -0.033 0.000 2.581 441 G HA2 -0.288 3.677 3.960 0.008 0.000 0.289 441 G HA3 -0.288 3.677 3.960 0.008 0.000 0.289 441 G C -0.811 173.922 174.900 -0.278 0.000 1.303 441 G CA 0.269 45.261 45.100 -0.179 0.000 0.931 441 G HN 0.404 nan 8.290 nan 0.000 0.555 442 P HA 0.097 nan 4.420 nan 0.000 0.251 442 P C 1.101 178.217 177.300 -0.305 0.000 1.223 442 P CA 1.245 64.016 63.100 -0.549 0.000 0.796 442 P CB -0.064 31.149 31.700 -0.812 0.000 1.068 443 W N 0.765 122.120 121.300 0.090 0.000 2.905 443 W HA 0.340 5.005 4.660 0.008 0.000 0.251 443 W C 1.094 177.720 176.519 0.179 0.000 1.305 443 W CA -0.073 57.334 57.345 0.103 0.000 1.465 443 W CB 0.220 29.693 29.460 0.021 0.000 1.122 443 W HN -0.002 nan 8.180 nan 0.000 0.659 444 G N -0.656 108.349 108.800 0.340 0.000 2.606 444 G HA2 0.513 4.478 3.960 0.008 0.000 0.300 444 G HA3 0.513 4.478 3.960 0.008 0.000 0.300 444 G C -1.475 173.529 174.900 0.173 0.000 1.360 444 G CA -0.642 44.649 45.100 0.318 0.000 0.783 444 G HN -0.294 nan 8.290 nan 0.000 0.484 445 T N 0.027 114.656 114.554 0.125 0.000 2.861 445 T HA 0.479 4.834 4.350 0.008 0.000 0.287 445 T C -0.071 174.631 174.700 0.003 0.000 1.003 445 T CA -0.622 61.513 62.100 0.059 0.000 0.977 445 T CB 1.925 70.832 68.868 0.065 0.000 0.996 445 T HN 0.567 nan 8.240 nan 0.000 0.448 446 R N 2.829 123.320 120.500 -0.016 0.000 2.325 446 R HA 0.289 4.634 4.340 0.008 0.000 0.323 446 R C 1.047 177.308 176.300 -0.066 0.000 1.177 446 R CA -0.216 55.850 56.100 -0.057 0.000 1.018 446 R CB -0.278 29.989 30.300 -0.055 0.000 1.070 446 R HN 0.578 nan 8.270 nan 0.000 0.495 447 V N 2.099 121.939 119.914 -0.123 0.000 3.649 447 V HA 0.263 4.388 4.120 0.008 0.000 0.275 447 V C -0.222 175.850 176.094 -0.037 0.000 1.281 447 V CA 0.073 62.306 62.300 -0.112 0.000 1.143 447 V CB -0.948 30.732 31.823 -0.237 0.000 0.892 447 V HN 0.677 nan 8.190 nan 0.000 0.441 448 Y N -0.901 119.246 120.300 -0.255 0.000 2.687 448 Y HA 0.556 5.111 4.550 0.008 0.000 0.338 448 Y C -3.165 172.603 175.900 -0.220 0.000 1.189 448 Y CA -2.244 55.753 58.100 -0.172 0.000 1.097 448 Y CB 1.554 39.935 38.460 -0.131 0.000 1.342 448 Y HN -0.125 nan 8.280 nan 0.000 0.461 449 P HA 0.102 nan 4.420 nan 0.000 0.262 449 P C -0.547 176.505 177.300 -0.413 0.000 1.182 449 P CA 1.192 63.883 63.100 -0.681 0.000 0.761 449 P CB 0.290 31.209 31.700 -1.301 0.000 0.795 450 N N -0.316 118.239 118.700 -0.242 0.000 2.753 450 N HA -0.134 4.611 4.740 0.008 0.000 0.251 450 N C -0.815 174.605 175.510 -0.149 0.000 1.097 450 N CA 0.760 53.719 53.050 -0.153 0.000 0.786 450 N CB -1.469 36.949 38.487 -0.115 0.000 1.137 450 N HN 0.174 nan 8.380 nan 0.000 0.566 451 V N 1.181 121.011 119.914 -0.141 0.000 2.444 451 V HA 0.313 4.438 4.120 0.008 0.000 0.294 451 V C 0.267 176.264 176.094 -0.162 0.000 1.022 451 V CA -0.798 61.409 62.300 -0.154 0.000 0.850 451 V CB 1.994 33.700 31.823 -0.195 0.000 0.992 451 V HN 0.196 nan 8.190 nan 0.000 0.426 452 N N 3.232 121.844 118.700 -0.148 0.000 2.476 452 N HA 0.632 5.377 4.740 0.008 0.000 0.257 452 N C -0.346 175.061 175.510 -0.172 0.000 0.970 452 N CA -0.434 52.550 53.050 -0.112 0.000 0.938 452 N CB 1.212 39.673 38.487 -0.044 0.000 1.144 452 N HN 0.831 nan 8.380 nan 0.000 0.500 453 A N 3.608 126.373 122.820 -0.092 0.000 2.294 453 A HA 0.247 4.572 4.320 0.008 0.000 0.316 453 A C -0.575 177.087 177.584 0.129 0.000 1.359 453 A CA -0.428 51.594 52.037 -0.025 0.000 0.956 453 A CB -0.162 18.828 19.000 -0.016 0.000 1.155 453 A HN 0.840 nan 8.150 nan 0.000 0.544 454 H N 2.145 121.344 119.070 0.214 0.000 2.790 454 H HA 0.055 4.616 4.556 0.008 0.000 0.358 454 H C 0.229 175.765 175.328 0.346 0.000 1.103 454 H CA -0.382 55.844 56.048 0.296 0.000 1.426 454 H CB 0.683 30.643 29.762 0.330 0.000 1.424 454 H HN 0.658 nan 8.280 nan 0.000 0.599 455 N N 2.857 121.783 118.700 0.376 0.000 2.453 455 N HA 0.024 4.769 4.740 0.008 0.000 0.253 455 N C -0.140 175.334 175.510 -0.060 0.000 1.252 455 N CA 0.351 53.455 53.050 0.090 0.000 0.917 455 N CB 0.516 39.094 38.487 0.152 0.000 1.117 455 N HN 0.703 nan 8.380 nan 0.000 0.442 456 H N -1.977 116.803 119.070 -0.484 0.000 2.987 456 H HA 0.328 4.889 4.556 0.008 0.000 0.316 456 H C -1.403 173.609 175.328 -0.526 0.000 1.380 456 H CA -0.764 54.854 56.048 -0.717 0.000 1.160 456 H CB 0.881 29.653 29.762 -1.650 0.000 1.865 456 H HN 0.411 nan 8.280 nan 0.000 0.521 457 Q N 0.484 120.030 119.800 -0.423 0.000 2.351 457 Q HA 0.387 4.732 4.340 0.008 0.000 0.273 457 Q C -0.823 174.996 176.000 -0.302 0.000 1.077 457 Q CA -1.000 54.621 55.803 -0.304 0.000 0.843 457 Q CB 2.505 31.127 28.738 -0.194 0.000 1.367 457 Q HN 0.518 nan 8.270 nan 0.000 0.449 458 H N 1.656 120.685 119.070 -0.068 0.000 2.762 458 H HA 0.404 4.965 4.556 0.008 0.000 0.310 458 H C -1.007 174.186 175.328 -0.226 0.000 1.004 458 H CA -0.207 55.787 56.048 -0.090 0.000 1.267 458 H CB 0.693 30.526 29.762 0.117 0.000 1.437 458 H HN 0.363 nan 8.280 nan 0.000 0.498 459 L N 3.937 124.983 121.223 -0.295 0.000 2.346 459 L HA 0.473 4.818 4.340 0.008 0.000 0.276 459 L C -0.791 175.827 176.870 -0.419 0.000 1.006 459 L CA -0.783 53.927 54.840 -0.216 0.000 0.817 459 L CB 1.374 43.396 42.059 -0.061 0.000 1.272 459 L HN 0.295 nan 8.230 nan 0.000 0.421 460 F N 0.016 119.817 119.950 -0.249 0.000 2.561 460 F HA 0.459 4.991 4.527 0.008 0.000 0.321 460 F C 0.318 175.974 175.800 -0.241 0.000 1.065 460 F CA -0.834 56.959 58.000 -0.346 0.000 0.934 460 F CB 2.140 40.687 39.000 -0.756 0.000 1.215 460 F HN 0.229 nan 8.300 nan 0.000 0.471 461 S N 3.177 118.782 115.700 -0.157 0.000 2.601 461 S HA 0.426 4.901 4.470 0.008 0.000 0.312 461 S C -0.898 173.763 174.600 0.101 0.000 1.107 461 S CA -0.583 57.510 58.200 -0.180 0.000 1.129 461 S CB 0.029 62.682 63.200 -0.910 0.000 0.982 461 S HN 0.641 nan 8.310 nan 0.000 0.469 462 L N 5.814 127.220 121.223 0.305 0.000 2.361 462 L HA 0.447 4.792 4.340 0.008 0.000 0.278 462 L C 0.291 177.197 176.870 0.060 0.000 1.113 462 L CA -0.250 54.745 54.840 0.257 0.000 0.849 462 L CB 0.521 42.762 42.059 0.303 0.000 1.155 462 L HN 0.662 nan 8.230 nan 0.000 0.452 463 R N 6.361 126.791 120.500 -0.118 0.000 2.265 463 R HA 0.522 4.867 4.340 0.008 0.000 0.328 463 R C -1.199 174.869 176.300 -0.386 0.000 0.969 463 R CA -0.526 55.270 56.100 -0.506 0.000 0.832 463 R CB 0.803 30.769 30.300 -0.557 0.000 1.139 463 R HN 0.636 nan 8.270 nan 0.000 0.457 464 I N 3.637 123.983 120.570 -0.373 0.000 2.362 464 I HA 0.173 4.348 4.170 0.008 0.000 0.289 464 I C -0.598 175.400 176.117 -0.198 0.000 0.994 464 I CA -0.726 60.378 61.300 -0.327 0.000 1.158 464 I CB 1.853 39.629 38.000 -0.375 0.000 1.315 464 I HN 0.517 nan 8.210 nan 0.000 0.451 465 D N 9.642 129.958 120.400 -0.139 0.000 2.473 465 D HA 0.319 4.964 4.640 0.008 0.000 0.226 465 D C -2.520 173.836 176.300 0.092 0.000 1.089 465 D CA -2.049 51.954 54.000 0.004 0.000 0.883 465 D CB 1.427 42.262 40.800 0.058 0.000 1.029 465 D HN 0.154 nan 8.370 nan 0.000 0.517 466 P HA 0.337 nan 4.420 nan 0.000 0.279 466 P C -0.465 176.909 177.300 0.124 0.000 1.252 466 P CA -0.591 62.656 63.100 0.245 0.000 0.811 466 P CB 1.388 33.221 31.700 0.222 0.000 1.035 467 R N 1.846 122.401 120.500 0.092 0.000 2.533 467 R HA 0.243 4.588 4.340 0.008 0.000 0.268 467 R C -0.231 176.079 176.300 0.017 0.000 1.303 467 R CA -0.342 55.783 56.100 0.041 0.000 1.429 467 R CB -0.217 30.120 30.300 0.061 0.000 1.361 467 R HN 0.278 nan 8.270 nan 0.000 0.745 468 I N 2.664 123.248 120.570 0.023 0.000 2.792 468 I HA -0.051 4.124 4.170 0.008 0.000 0.284 468 I C 0.545 176.763 176.117 0.168 0.000 1.166 468 I CA 1.021 62.370 61.300 0.081 0.000 1.375 468 I CB -0.423 37.666 38.000 0.149 0.000 1.421 468 I HN 0.631 nan 8.210 nan 0.000 0.544 469 D N 4.929 125.482 120.400 0.256 0.000 2.811 469 D HA -0.150 4.495 4.640 0.008 0.000 0.231 469 D C 0.552 176.880 176.300 0.046 0.000 1.157 469 D CA 1.662 55.738 54.000 0.127 0.000 0.716 469 D CB -0.691 40.084 40.800 -0.041 0.000 1.077 469 D HN 1.204 nan 8.370 nan 0.000 0.428 470 G N -1.040 107.792 108.800 0.053 0.000 2.373 470 G HA2 0.005 3.970 3.960 0.008 0.000 0.634 470 G HA3 0.005 3.970 3.960 0.008 0.000 0.634 470 G C -1.170 173.738 174.900 0.013 0.000 1.267 470 G CA -0.271 44.844 45.100 0.025 0.000 1.008 470 G HN 0.195 nan 8.290 nan 0.000 0.497 471 D N 0.647 121.044 120.400 -0.004 0.000 2.264 471 D HA 0.528 5.174 4.640 0.008 0.000 0.249 471 D C 0.813 177.102 176.300 -0.018 0.000 1.070 471 D CA 1.383 55.372 54.000 -0.019 0.000 0.912 471 D CB 1.268 42.050 40.800 -0.030 0.000 1.193 471 D HN 2.035 nan 8.370 nan 0.000 0.427 472 G N 1.517 110.302 108.800 -0.026 0.000 2.830 472 G HA2 -0.163 3.802 3.960 0.008 0.000 0.298 472 G HA3 -0.163 3.802 3.960 0.008 0.000 0.298 472 G C -0.699 174.172 174.900 -0.048 0.000 1.031 472 G CA -0.789 44.294 45.100 -0.028 0.000 1.179 472 G HN 0.415 nan 8.290 nan 0.000 0.527 473 N N -0.340 118.321 118.700 -0.064 0.000 2.453 473 N HA 0.880 5.625 4.740 0.008 0.000 0.290 473 N C -0.148 175.234 175.510 -0.212 0.000 1.250 473 N CA -0.351 52.623 53.050 -0.127 0.000 0.815 473 N CB 2.171 40.628 38.487 -0.050 0.000 1.381 473 N HN 0.448 nan 8.380 nan 0.000 0.510 474 S N -0.672 114.748 115.700 -0.467 0.000 2.651 474 S HA 0.929 5.404 4.470 0.008 0.000 0.279 474 S C -1.199 173.155 174.600 -0.410 0.000 1.148 474 S CA -0.702 57.186 58.200 -0.519 0.000 0.837 474 S CB 2.046 64.721 63.200 -0.875 0.000 1.138 474 S HN 0.712 nan 8.310 nan 0.000 0.478 475 A N 0.261 123.061 122.820 -0.033 0.000 2.469 475 A HA 1.009 5.334 4.320 0.008 0.000 0.299 475 A C -0.965 176.612 177.584 -0.012 0.000 1.098 475 A CA -0.536 51.652 52.037 0.251 0.000 0.737 475 A CB 1.542 20.889 19.000 0.578 0.000 1.312 475 A HN 1.434 nan 8.150 nan 0.000 0.414 476 A N -0.301 122.462 122.820 -0.095 0.000 2.610 476 A HA 0.885 5.210 4.320 0.008 0.000 0.291 476 A C -0.479 176.948 177.584 -0.262 0.000 1.086 476 A CA 0.029 51.723 52.037 -0.572 0.000 0.677 476 A CB 0.916 19.861 19.000 -0.091 0.000 1.278 476 A HN 2.479 nan 8.150 nan 0.000 0.414 477 A N -0.186 122.467 122.820 -0.278 0.000 2.305 477 A HA 0.625 4.950 4.320 0.008 0.000 0.322 477 A C -0.433 177.072 177.584 -0.131 0.000 1.187 477 A CA -0.359 51.630 52.037 -0.080 0.000 0.825 477 A CB 0.315 19.403 19.000 0.147 0.000 1.164 477 A HN 1.307 nan 8.150 nan 0.000 0.498 478 C N 2.313 121.498 119.300 -0.192 0.000 2.322 478 C HA 0.615 5.080 4.460 0.008 0.000 0.324 478 C C -0.855 174.034 174.990 -0.169 0.000 1.249 478 C CA -0.887 58.049 59.018 -0.136 0.000 1.453 478 C CB 0.322 28.009 27.740 -0.088 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.190 122.501 120.400 -0.149 0.000 2.391 479 D HA 0.503 5.148 4.640 0.008 0.000 0.245 479 D C -0.224 175.957 176.300 -0.198 0.000 1.069 479 D CA 0.125 54.023 54.000 -0.171 0.000 0.831 479 D CB 2.158 42.867 40.800 -0.152 0.000 1.204 479 D HN 0.683 nan 8.370 nan 0.000 0.503 480 A N 2.935 125.647 122.820 -0.180 0.000 2.409 480 A HA 0.452 4.777 4.320 0.008 0.000 0.262 480 A C 0.108 177.549 177.584 -0.240 0.000 1.113 480 A CA 0.033 51.956 52.037 -0.189 0.000 0.790 480 A CB 0.388 19.287 19.000 -0.167 0.000 1.046 480 A HN 0.475 nan 8.150 nan 0.000 0.496 481 K N 1.512 121.722 120.400 -0.316 0.000 2.527 481 K HA 0.445 4.770 4.320 0.008 0.000 0.260 481 K C -0.756 175.811 176.600 -0.055 0.000 0.937 481 K CA -0.618 55.521 56.287 -0.247 0.000 0.826 481 K CB 2.250 34.547 32.500 -0.339 0.000 1.359 481 K HN 0.618 nan 8.250 nan 0.000 0.434 482 S N 0.801 116.544 115.700 0.070 0.000 2.585 482 S HA 0.065 4.540 4.470 0.008 0.000 0.273 482 S C 0.199 174.996 174.600 0.328 0.000 1.339 482 S CA -0.444 57.882 58.200 0.210 0.000 1.028 482 S CB 1.222 64.502 63.200 0.133 0.000 0.906 482 S HN 0.593 nan 8.310 nan 0.000 0.528 483 S N 2.615 118.535 115.700 0.367 0.000 2.563 483 S HA 0.088 4.563 4.470 0.008 0.000 0.284 483 S C -1.181 173.553 174.600 0.223 0.000 1.331 483 S CA -1.036 57.366 58.200 0.337 0.000 1.047 483 S CB 0.298 63.658 63.200 0.266 0.000 0.859 483 S HN 0.569 nan 8.310 nan 0.000 0.514 484 P HA 0.009 nan 4.420 nan 0.000 0.229 484 P C -0.259 176.969 177.300 -0.120 0.000 1.160 484 P CA 0.510 63.594 63.100 -0.027 0.000 0.777 484 P CB -0.096 31.526 31.700 -0.130 0.000 0.814 485 Y N 2.950 123.272 120.300 0.035 0.000 2.425 485 Y HA 0.153 4.708 4.550 0.008 0.000 0.331 485 Y C -1.244 174.672 175.900 0.027 0.000 1.157 485 Y CA -2.125 55.987 58.100 0.020 0.000 1.372 485 Y CB -0.386 38.078 38.460 0.007 0.000 1.253 485 Y HN 0.051 nan 8.280 nan 0.000 0.536 486 P HA 0.019 nan 4.420 nan 0.000 0.274 486 P C -0.407 176.942 177.300 0.082 0.000 1.246 486 P CA -0.491 62.662 63.100 0.088 0.000 0.795 486 P CB 1.209 32.941 31.700 0.053 0.000 1.006 487 L N 0.939 122.195 121.223 0.054 0.000 2.525 487 L HA 0.099 4.444 4.340 0.008 0.000 0.278 487 L C 1.490 178.357 176.870 -0.004 0.000 1.218 487 L CA 1.929 56.786 54.840 0.029 0.000 0.878 487 L CB -0.622 41.453 42.059 0.026 0.000 1.127 487 L HN 0.914 nan 8.230 nan 0.000 0.492 488 G N 2.496 111.264 108.800 -0.054 0.000 2.195 488 G HA2 -0.285 3.680 3.960 0.008 0.000 0.246 488 G HA3 -0.285 3.680 3.960 0.008 0.000 0.246 488 G C 0.283 175.150 174.900 -0.056 0.000 0.984 488 G CA 0.345 45.396 45.100 -0.081 0.000 0.633 488 G HN 0.937 nan 8.290 nan 0.000 0.525 489 S N 0.331 116.022 115.700 -0.014 0.000 2.617 489 S HA 0.628 5.103 4.470 0.008 0.000 0.269 489 S C -0.939 173.634 174.600 -0.045 0.000 1.292 489 S CA -0.566 57.637 58.200 0.004 0.000 1.010 489 S CB 2.200 65.455 63.200 0.093 0.000 0.944 489 S HN -0.013 nan 8.310 nan 0.000 0.536 490 P HA -0.041 nan 4.420 nan 0.000 0.218 490 P C 0.707 177.935 177.300 -0.121 0.000 1.148 490 P CA 1.085 64.134 63.100 -0.084 0.000 0.822 490 P CB 0.003 31.655 31.700 -0.079 0.000 0.784 491 E N -1.747 118.331 120.200 -0.204 0.000 2.358 491 E HA -0.026 4.329 4.350 0.008 0.000 0.195 491 E C 0.710 177.222 176.600 -0.147 0.000 1.010 491 E CA 0.640 56.850 56.400 -0.318 0.000 0.856 491 E CB -0.340 28.822 29.700 -0.897 0.000 0.795 491 E HN 0.095 nan 8.360 nan 0.000 0.504 492 N N -0.382 118.293 118.700 -0.041 0.000 2.639 492 N HA 0.078 4.823 4.740 0.008 0.000 0.265 492 N C 0.202 175.726 175.510 0.023 0.000 1.689 492 N CA -0.025 53.050 53.050 0.042 0.000 0.813 492 N CB 0.003 38.560 38.487 0.118 0.000 1.353 492 N HN -0.081 nan 8.380 nan 0.000 0.510 493 M N 0.379 119.962 119.600 -0.028 0.000 2.089 493 M HA -0.113 4.372 4.480 0.008 0.000 0.257 493 M C 0.198 176.307 176.300 -0.318 0.000 1.071 493 M CA 2.080 57.258 55.300 -0.203 0.000 1.096 493 M CB -0.375 32.045 32.600 -0.299 0.000 1.330 493 M HN 0.386 nan 8.290 nan 0.000 0.403 494 Y N -0.663 119.651 120.300 0.022 0.000 2.524 494 Y HA 0.449 5.004 4.550 0.008 0.000 0.266 494 Y C 1.478 177.405 175.900 0.044 0.000 1.180 494 Y CA 0.040 58.157 58.100 0.029 0.000 1.244 494 Y CB -0.469 38.005 38.460 0.023 0.000 1.125 494 Y HN 0.453 nan 8.280 nan 0.000 0.524 495 G N 1.489 110.377 108.800 0.146 0.000 2.203 495 G HA2 -0.400 3.565 3.960 0.008 0.000 0.263 495 G HA3 -0.400 3.565 3.960 0.008 0.000 0.263 495 G C 0.966 175.960 174.900 0.155 0.000 1.012 495 G CA 0.848 46.027 45.100 0.132 0.000 0.749 495 G HN 0.593 nan 8.290 nan 0.000 0.512 496 N N -0.096 118.709 118.700 0.174 0.000 2.299 496 N HA 0.369 5.114 4.740 0.008 0.000 0.187 496 N C 1.057 176.698 175.510 0.218 0.000 1.099 496 N CA 0.668 53.830 53.050 0.187 0.000 0.867 496 N CB 0.020 38.598 38.487 0.150 0.000 0.974 496 N HN 0.944 nan 8.380 nan 0.000 0.477 497 A N 1.039 123.961 122.820 0.170 0.000 2.520 497 A HA 0.418 4.743 4.320 0.008 0.000 0.245 497 A C -0.426 177.328 177.584 0.283 0.000 1.072 497 A CA -0.169 51.950 52.037 0.137 0.000 0.761 497 A CB -0.565 18.502 19.000 0.111 0.000 1.004 497 A HN 0.477 nan 8.150 nan 0.000 0.499 498 F N 0.838 120.880 119.950 0.153 0.000 2.654 498 F HA 0.741 5.272 4.527 0.008 0.000 0.308 498 F C -1.054 174.888 175.800 0.237 0.000 1.108 498 F CA -1.497 56.612 58.000 0.182 0.000 0.957 498 F CB 0.812 39.852 39.000 0.068 0.000 1.309 498 F HN 0.763 nan 8.300 nan 0.000 0.446 499 Y N -0.371 120.096 120.300 0.277 0.000 2.818 499 Y HA 0.803 5.358 4.550 0.008 0.000 0.322 499 Y C -1.364 174.644 175.900 0.179 0.000 1.323 499 Y CA -1.884 56.301 58.100 0.143 0.000 1.090 499 Y CB 0.963 39.456 38.460 0.056 0.000 1.328 499 Y HN 0.801 nan 8.280 nan 0.000 0.482 500 S N 0.735 116.464 115.700 0.050 0.000 2.438 500 S HA 0.271 4.746 4.470 0.008 0.000 0.316 500 S C -0.983 173.595 174.600 -0.036 0.000 1.084 500 S CA -0.600 57.558 58.200 -0.071 0.000 1.107 500 S CB 0.160 63.376 63.200 0.027 0.000 0.981 500 S HN 0.699 nan 8.310 nan 0.000 0.466 501 E N 4.183 124.270 120.200 -0.187 0.000 2.130 501 E HA 0.207 4.562 4.350 0.008 0.000 0.284 501 E C -0.531 176.062 176.600 -0.012 0.000 1.018 501 E CA -0.385 56.016 56.400 0.001 0.000 0.817 501 E CB 0.501 30.179 29.700 -0.038 0.000 1.078 501 E HN 0.528 nan 8.360 nan 0.000 0.396 502 K N 3.432 123.840 120.400 0.014 0.000 2.213 502 K HA 0.238 4.564 4.320 0.008 0.000 0.270 502 K C -1.197 175.396 176.600 -0.013 0.000 1.002 502 K CA -0.380 55.885 56.287 -0.037 0.000 0.868 502 K CB 1.301 33.749 32.500 -0.086 0.000 1.093 502 K HN 0.320 nan 8.250 nan 0.000 0.454 503 T N 3.582 118.123 114.554 -0.022 0.000 2.893 503 T HA 0.109 4.464 4.350 0.008 0.000 0.324 503 T C -0.466 174.199 174.700 -0.058 0.000 1.082 503 T CA -0.646 61.472 62.100 0.029 0.000 0.983 503 T CB 0.767 69.706 68.868 0.119 0.000 1.005 503 T HN 0.714 nan 8.240 nan 0.000 0.475 504 T N 1.199 115.759 114.554 0.010 0.000 2.884 504 T HA 0.485 4.841 4.350 0.008 0.000 0.298 504 T C -0.052 174.725 174.700 0.129 0.000 0.998 504 T CA -0.637 61.479 62.100 0.027 0.000 1.124 504 T CB -0.049 68.956 68.868 0.227 0.000 0.931 504 T HN 0.198 nan 8.240 nan 0.000 0.531 505 F N 2.519 122.597 119.950 0.212 0.000 2.472 505 F HA 0.393 4.924 4.527 0.007 0.000 0.364 505 F C 1.439 177.308 175.800 0.115 0.000 1.090 505 F CA -1.331 56.759 58.000 0.150 0.000 1.188 505 F CB 0.641 39.730 39.000 0.148 0.000 1.105 505 F HN 0.696 nan 8.300 nan 0.000 0.536 506 K N 0.432 120.999 120.400 0.278 0.000 2.168 506 K HA 0.055 4.380 4.320 0.008 0.000 0.201 506 K C 0.854 177.536 176.600 0.137 0.000 1.049 506 K CA 0.672 57.062 56.287 0.172 0.000 0.974 506 K CB 0.268 32.848 32.500 0.134 0.000 0.792 506 K HN 0.585 nan 8.250 nan 0.000 0.463 507 T N -0.772 113.857 114.554 0.124 0.000 2.916 507 T HA 0.208 4.563 4.350 0.008 0.000 0.292 507 T C 1.201 175.928 174.700 0.045 0.000 1.064 507 T CA -0.791 61.354 62.100 0.076 0.000 1.011 507 T CB 1.714 70.614 68.868 0.053 0.000 1.152 507 T HN -0.203 nan 8.240 nan 0.000 0.510 508 V N 3.106 123.033 119.914 0.020 0.000 2.278 508 V HA -0.163 3.962 4.120 0.008 0.000 0.251 508 V C 2.687 178.723 176.094 -0.097 0.000 1.062 508 V CA 2.464 64.749 62.300 -0.024 0.000 1.038 508 V CB -0.646 31.174 31.823 -0.004 0.000 0.646 508 V HN 0.901 nan 8.190 nan 0.000 0.447 509 K N -0.187 120.172 120.400 -0.069 0.000 2.113 509 K HA -0.266 4.059 4.320 0.008 0.000 0.208 509 K C 1.798 178.313 176.600 -0.142 0.000 1.047 509 K CA 2.030 58.259 56.287 -0.097 0.000 0.928 509 K CB -0.286 32.188 32.500 -0.043 0.000 0.716 509 K HN 0.531 nan 8.250 nan 0.000 0.446 510 D N 0.025 120.361 120.400 -0.105 0.000 2.178 510 D HA -0.130 4.515 4.640 0.008 0.000 0.201 510 D C 1.941 177.917 176.300 -0.541 0.000 0.980 510 D CA 1.565 55.497 54.000 -0.113 0.000 0.842 510 D CB -0.092 40.778 40.800 0.116 0.000 0.948 510 D HN 0.380 nan 8.370 nan 0.000 0.472 511 S N 0.258 115.474 115.700 -0.807 0.000 2.461 511 S HA -0.045 4.430 4.470 0.008 0.000 0.228 511 S C 1.304 175.445 174.600 -0.764 0.000 1.005 511 S CA -0.069 57.257 58.200 -1.455 0.000 0.942 511 S CB -0.527 62.197 63.200 -0.794 0.000 0.776 511 S HN 0.174 nan 8.310 nan 0.000 0.514 512 L N 3.782 124.697 121.223 -0.514 0.000 2.617 512 L HA 0.245 4.590 4.340 0.008 0.000 0.282 512 L C 0.328 177.054 176.870 -0.240 0.000 1.174 512 L CA -0.161 54.346 54.840 -0.555 0.000 1.016 512 L CB -1.067 40.481 42.059 -0.852 0.000 1.337 512 L HN 0.408 nan 8.230 nan 0.000 0.460 513 T N -1.061 113.507 114.554 0.023 0.000 2.896 513 T HA 0.534 4.889 4.350 0.008 0.000 0.297 513 T C -0.375 174.612 174.700 0.478 0.000 1.108 513 T CA -1.103 61.182 62.100 0.308 0.000 1.004 513 T CB 2.449 71.593 68.868 0.460 0.000 1.159 513 T HN 0.218 nan 8.240 nan 0.000 0.499 514 N N 0.043 119.030 118.700 0.479 0.000 2.362 514 N HA 0.350 5.095 4.740 0.008 0.000 0.299 514 N C -1.275 174.602 175.510 0.612 0.000 1.170 514 N CA -0.621 52.728 53.050 0.500 0.000 0.825 514 N CB 1.368 40.032 38.487 0.295 0.000 1.299 514 N HN 0.766 nan 8.380 nan 0.000 0.502 515 Y N 0.972 121.627 120.300 0.592 0.000 2.497 515 Y HA 0.042 4.598 4.550 0.009 0.000 0.334 515 Y C -0.255 175.768 175.900 0.205 0.000 1.199 515 Y CA 0.496 58.871 58.100 0.459 0.000 1.425 515 Y CB 0.531 39.281 38.460 0.484 0.000 1.291 515 Y HN 0.297 nan 8.280 nan 0.000 0.562 516 E N 3.403 123.093 120.200 -0.851 0.000 2.244 516 E HA 0.140 4.495 4.350 0.008 0.000 0.260 516 E C 0.346 176.436 176.600 -0.850 0.000 0.884 516 E CA -0.014 56.023 56.400 -0.606 0.000 0.777 516 E CB 1.665 31.186 29.700 -0.298 0.000 1.197 516 E HN 0.781 nan 8.360 nan 0.000 0.416 517 S N 1.492 116.862 115.700 -0.550 0.000 2.423 517 S HA -0.116 4.359 4.470 0.008 0.000 0.231 517 S C 1.801 176.296 174.600 -0.175 0.000 1.014 517 S CA 0.826 58.864 58.200 -0.270 0.000 0.965 517 S CB -0.019 63.169 63.200 -0.020 0.000 0.785 517 S HN 0.461 nan 8.310 nan 0.000 0.495 518 A N 1.840 124.560 122.820 -0.167 0.000 2.070 518 A HA 0.016 4.341 4.320 0.008 0.000 0.220 518 A C 2.248 179.750 177.584 -0.136 0.000 1.159 518 A CA 1.708 53.674 52.037 -0.118 0.000 0.656 518 A CB -0.883 18.062 19.000 -0.092 0.000 0.800 518 A HN 0.782 nan 8.150 nan 0.000 0.453 519 T N -5.775 108.669 114.554 -0.183 0.000 3.111 519 T HA 0.429 4.784 4.350 0.008 0.000 0.284 519 T C 1.091 175.686 174.700 -0.175 0.000 0.983 519 T CA 0.930 62.923 62.100 -0.177 0.000 0.900 519 T CB -0.027 68.734 68.868 -0.179 0.000 1.132 519 T HN 1.630 nan 8.240 nan 0.000 0.531 520 G N 2.801 111.499 108.800 -0.170 0.000 2.356 520 G HA2 -0.348 3.617 3.960 0.008 0.000 0.296 520 G HA3 -0.348 3.617 3.960 0.008 0.000 0.296 520 G C 0.035 174.908 174.900 -0.045 0.000 1.022 520 G CA 0.312 45.383 45.100 -0.048 0.000 0.961 520 G HN 0.929 nan 8.290 nan 0.000 0.510 521 R N 0.109 120.480 120.500 -0.215 0.000 2.537 521 R HA 0.337 4.682 4.340 0.008 0.000 0.281 521 R C 0.842 176.988 176.300 -0.257 0.000 0.988 521 R CA 0.943 56.859 56.100 -0.307 0.000 1.077 521 R CB 0.202 30.194 30.300 -0.513 0.000 0.932 521 R HN 0.649 nan 8.270 nan 0.000 0.409 522 S N 3.925 119.412 115.700 -0.355 0.000 2.667 522 S HA 0.610 5.085 4.470 0.008 0.000 0.292 522 S C -1.145 173.288 174.600 -0.278 0.000 1.126 522 S CA -1.027 57.065 58.200 -0.181 0.000 0.881 522 S CB 1.456 64.660 63.200 0.007 0.000 1.132 522 S HN 0.627 nan 8.310 nan 0.000 0.492 523 W N 0.525 121.922 121.300 0.162 0.000 2.819 523 W HA 0.445 5.109 4.660 0.008 0.000 0.337 523 W C -1.378 175.228 176.519 0.144 0.000 1.077 523 W CA -0.437 57.037 57.345 0.215 0.000 1.226 523 W CB 2.141 31.855 29.460 0.423 0.000 1.419 523 W HN 0.630 nan 8.180 nan 0.000 0.502 524 D N 2.039 122.662 120.400 0.371 0.000 2.248 524 D HA 0.527 5.173 4.640 0.008 0.000 0.246 524 D C -0.481 176.071 176.300 0.420 0.000 1.027 524 D CA -0.364 53.822 54.000 0.310 0.000 0.853 524 D CB 2.220 43.144 40.800 0.207 0.000 1.243 524 D HN 0.088 nan 8.370 nan 0.000 0.462 525 I N 3.186 123.960 120.570 0.341 0.000 2.411 525 I HA 0.361 4.536 4.170 0.008 0.000 0.284 525 I C -0.732 175.600 176.117 0.359 0.000 1.012 525 I CA -0.867 60.599 61.300 0.277 0.000 1.119 525 I CB 0.375 38.450 38.000 0.126 0.000 1.261 525 I HN 0.230 nan 8.210 nan 0.000 0.448 526 F N 3.554 123.581 119.950 0.129 0.000 2.664 526 F HA 0.541 5.072 4.527 0.007 0.000 0.329 526 F C -0.727 175.131 175.800 0.096 0.000 1.090 526 F CA -1.516 56.553 58.000 0.116 0.000 0.978 526 F CB 1.306 40.357 39.000 0.086 0.000 1.378 526 F HN 0.254 nan 8.300 nan 0.000 0.495 527 N N 1.957 120.794 118.700 0.228 0.000 2.558 527 N HA 0.367 5.113 4.740 0.008 0.000 0.242 527 N C -2.085 173.531 175.510 0.176 0.000 0.979 527 N CA -2.160 50.944 53.050 0.090 0.000 0.931 527 N CB 1.389 39.928 38.487 0.086 0.000 1.122 527 N HN 0.384 nan 8.380 nan 0.000 0.508 528 P HA -0.072 nan 4.420 nan 0.000 0.234 528 P C -0.145 177.218 177.300 0.104 0.000 1.167 528 P CA 0.819 64.043 63.100 0.206 0.000 0.763 528 P CB 0.295 32.089 31.700 0.156 0.000 0.835 529 N N -0.106 118.630 118.700 0.059 0.000 2.398 529 N HA 0.059 4.804 4.740 0.008 0.000 0.188 529 N C 0.573 176.095 175.510 0.021 0.000 1.122 529 N CA 0.524 53.593 53.050 0.031 0.000 0.866 529 N CB 0.501 38.996 38.487 0.013 0.000 0.970 529 N HN 0.367 nan 8.380 nan 0.000 0.462 530 K N 0.191 120.608 120.400 0.029 0.000 2.433 530 K HA 0.654 4.979 4.320 0.008 0.000 0.252 530 K C -0.994 175.608 176.600 0.003 0.000 1.015 530 K CA -0.746 55.541 56.287 -0.001 0.000 0.860 530 K CB 2.991 35.473 32.500 -0.031 0.000 1.359 530 K HN -0.319 nan 8.250 nan 0.000 0.452 531 V N 0.725 120.623 119.914 -0.026 0.000 2.888 531 V HA 0.239 4.364 4.120 0.008 0.000 0.309 531 V C -0.766 175.298 176.094 -0.051 0.000 1.114 531 V CA -1.177 61.105 62.300 -0.029 0.000 0.940 531 V CB 1.951 33.761 31.823 -0.021 0.000 1.021 531 V HN 0.764 nan 8.190 nan 0.000 0.426 532 N N 5.158 123.835 118.700 -0.038 0.000 2.470 532 N HA 0.183 4.928 4.740 0.008 0.000 0.268 532 N C -1.406 174.083 175.510 -0.035 0.000 1.136 532 N CA -1.379 51.646 53.050 -0.042 0.000 0.961 532 N CB 2.097 40.611 38.487 0.045 0.000 1.067 532 N HN 0.421 nan 8.380 nan 0.000 0.468 533 P HA -0.143 nan 4.420 nan 0.000 0.221 533 P C 0.437 177.799 177.300 0.103 0.000 1.145 533 P CA 1.323 64.383 63.100 -0.067 0.000 0.795 533 P CB 0.191 31.779 31.700 -0.186 0.000 0.775 534 Y N 0.914 121.222 120.300 0.013 0.000 2.265 534 Y HA 0.001 4.556 4.550 0.008 0.000 0.290 534 Y C 2.970 178.885 175.900 0.025 0.000 1.137 534 Y CA 0.890 58.999 58.100 0.016 0.000 1.147 534 Y CB -1.432 37.040 38.460 0.020 0.000 1.104 534 Y HN 0.042 nan 8.280 nan 0.000 0.514 535 S N -0.785 115.059 115.700 0.241 0.000 2.453 535 S HA 0.124 4.599 4.470 0.008 0.000 0.231 535 S C 1.910 176.540 174.600 0.051 0.000 1.005 535 S CA 0.865 59.163 58.200 0.163 0.000 0.949 535 S CB -0.561 62.825 63.200 0.310 0.000 0.774 535 S HN 0.693 nan 8.310 nan 0.000 0.510 536 G N 0.922 109.742 108.800 0.034 0.000 2.148 536 G HA2 -0.209 3.756 3.960 0.008 0.000 0.254 536 G HA3 -0.209 3.756 3.960 0.008 0.000 0.254 536 G C -0.047 174.805 174.900 -0.079 0.000 0.981 536 G CA 0.391 45.482 45.100 -0.016 0.000 0.670 536 G HN 0.527 nan 8.290 nan 0.000 0.528 537 K N 0.785 121.095 120.400 -0.150 0.000 2.118 537 K HA 0.540 4.865 4.320 0.008 0.000 0.254 537 K C -2.300 174.200 176.600 -0.166 0.000 0.961 537 K CA -2.226 53.891 56.287 -0.284 0.000 0.876 537 K CB 1.788 33.838 32.500 -0.750 0.000 1.077 537 K HN 0.129 nan 8.250 nan 0.000 0.440 538 P HA 0.123 nan 4.420 nan 0.000 0.271 538 P C -2.493 174.846 177.300 0.066 0.000 1.218 538 P CA -1.238 61.870 63.100 0.014 0.000 0.780 538 P CB -0.199 31.587 31.700 0.144 0.000 0.901 539 P HA 0.051 nan 4.420 nan 0.000 0.271 539 P C -0.265 177.219 177.300 0.306 0.000 1.216 539 P CA 0.387 63.569 63.100 0.136 0.000 0.776 539 P CB 0.610 32.269 31.700 -0.068 0.000 0.881 540 S N 1.866 117.778 115.700 0.354 0.000 2.615 540 S HA 0.563 5.038 4.470 0.008 0.000 0.269 540 S C -1.861 172.861 174.600 0.203 0.000 1.161 540 S CA -0.676 57.728 58.200 0.341 0.000 0.817 540 S CB 1.049 64.422 63.200 0.289 0.000 1.131 540 S HN 0.283 nan 8.310 nan 0.000 0.467 541 Y N 0.948 121.288 120.300 0.067 0.000 2.350 541 Y HA 0.598 5.153 4.550 0.008 0.000 0.338 541 Y C 0.040 175.978 175.900 0.064 0.000 0.961 541 Y CA -0.501 57.598 58.100 -0.003 0.000 1.100 541 Y CB 1.958 40.381 38.460 -0.062 0.000 1.179 541 Y HN 0.852 nan 8.280 nan 0.000 0.454 542 K N 4.436 124.875 120.400 0.065 0.000 2.185 542 K HA 0.457 4.782 4.320 0.008 0.000 0.269 542 K C -1.393 175.260 176.600 0.088 0.000 0.987 542 K CA -0.895 55.447 56.287 0.093 0.000 0.865 542 K CB 0.898 33.430 32.500 0.054 0.000 1.090 542 K HN 0.638 nan 8.250 nan 0.000 0.450 543 L N 5.731 127.021 121.223 0.110 0.000 2.278 543 L HA 0.245 4.590 4.340 0.008 0.000 0.287 543 L C -1.323 175.634 176.870 0.146 0.000 1.072 543 L CA -0.035 54.844 54.840 0.064 0.000 0.819 543 L CB 1.152 43.204 42.059 -0.012 0.000 1.176 543 L HN 0.359 nan 8.230 nan 0.000 0.435 544 V N 5.028 124.980 119.914 0.062 0.000 2.293 544 V HA 0.535 4.660 4.120 0.008 0.000 0.275 544 V C -0.019 176.088 176.094 0.022 0.000 1.021 544 V CA -0.219 62.118 62.300 0.061 0.000 0.815 544 V CB 0.830 32.667 31.823 0.023 0.000 1.025 544 V HN 0.849 nan 8.190 nan 0.000 0.448 545 S N 2.799 118.540 115.700 0.068 0.000 2.677 545 S HA 0.459 4.934 4.470 0.008 0.000 0.283 545 S C 0.319 174.839 174.600 -0.134 0.000 1.159 545 S CA -0.050 58.172 58.200 0.036 0.000 1.001 545 S CB 2.105 65.416 63.200 0.186 0.000 1.032 545 S HN 0.709 nan 8.310 nan 0.000 0.487 546 T N 3.061 117.473 114.554 -0.237 0.000 2.959 546 T HA 0.255 4.610 4.350 0.008 0.000 0.254 546 T C 0.156 174.709 174.700 -0.245 0.000 1.003 546 T CA 0.357 62.123 62.100 -0.557 0.000 0.950 546 T CB 0.041 68.713 68.868 -0.327 0.000 1.090 546 T HN 0.685 nan 8.240 nan 0.000 0.503 547 Q N 1.312 121.096 119.800 -0.027 0.000 2.844 547 Q HA 0.279 4.624 4.340 0.008 0.000 0.235 547 Q C -0.944 175.165 176.000 0.182 0.000 1.336 547 Q CA -0.337 55.520 55.803 0.089 0.000 1.026 547 Q CB -0.268 28.543 28.738 0.121 0.000 1.513 547 Q HN 0.360 nan 8.270 nan 0.000 0.577 548 C N 2.878 122.283 119.300 0.176 0.000 2.816 548 C HA 0.369 4.834 4.460 0.008 0.000 0.255 548 C C -2.130 173.000 174.990 0.233 0.000 1.141 548 C CA -1.948 57.221 59.018 0.253 0.000 1.554 548 C CB -0.524 27.449 27.740 0.388 0.000 1.778 548 C HN 0.542 nan 8.230 nan 0.000 0.429 549 P HA 0.275 nan 4.420 nan 0.000 0.275 549 P C -2.193 175.163 177.300 0.094 0.000 1.228 549 P CA -0.674 62.497 63.100 0.119 0.000 0.786 549 P CB 0.171 31.913 31.700 0.070 0.000 0.927 550 P HA 0.140 nan 4.420 nan 0.000 0.276 550 P C -0.756 176.534 177.300 -0.017 0.000 1.244 550 P CA -0.462 62.660 63.100 0.037 0.000 0.801 550 P CB 0.629 32.353 31.700 0.040 0.000 1.006 551 L N 2.535 123.715 121.223 -0.071 0.000 2.418 551 L HA 0.061 4.407 4.340 0.008 0.000 0.274 551 L C 1.150 177.965 176.870 -0.092 0.000 1.135 551 L CA 0.348 55.118 54.840 -0.117 0.000 0.870 551 L CB -0.500 41.448 42.059 -0.186 0.000 1.154 551 L HN 0.324 nan 8.230 nan 0.000 0.462 552 L N 4.775 125.952 121.223 -0.078 0.000 2.179 552 L HA 0.149 4.494 4.340 0.008 0.000 0.208 552 L C 1.402 178.230 176.870 -0.070 0.000 1.096 552 L CA 0.448 55.260 54.840 -0.048 0.000 0.779 552 L CB -0.478 41.570 42.059 -0.018 0.000 0.922 552 L HN 0.834 nan 8.230 nan 0.000 0.443 553 A N 0.881 123.636 122.820 -0.109 0.000 2.498 553 A HA 0.129 4.454 4.320 0.008 0.000 0.239 553 A C 0.257 177.764 177.584 -0.127 0.000 1.068 553 A CA 0.016 51.975 52.037 -0.129 0.000 0.766 553 A CB 0.045 18.941 19.000 -0.172 0.000 1.003 553 A HN 0.178 nan 8.150 nan 0.000 0.497 554 K N 1.195 121.525 120.400 -0.116 0.000 2.138 554 K HA 0.196 4.521 4.320 0.008 0.000 0.251 554 K C -0.028 176.497 176.600 -0.125 0.000 1.015 554 K CA -0.156 56.068 56.287 -0.105 0.000 0.917 554 K CB 0.475 32.925 32.500 -0.083 0.000 1.021 554 K HN 0.778 nan 8.250 nan 0.000 0.485 555 E N 0.003 120.137 120.200 -0.110 0.000 2.414 555 E HA 0.015 4.370 4.350 0.008 0.000 0.263 555 E C 0.747 177.276 176.600 -0.118 0.000 1.000 555 E CA 0.655 56.985 56.400 -0.117 0.000 0.914 555 E CB 0.373 30.018 29.700 -0.091 0.000 0.948 555 E HN 0.826 nan 8.360 nan 0.000 0.444 556 G N 2.540 111.256 108.800 -0.140 0.000 2.195 556 G HA2 -0.337 3.628 3.960 0.008 0.000 0.246 556 G HA3 -0.337 3.628 3.960 0.008 0.000 0.246 556 G C 0.407 175.209 174.900 -0.163 0.000 0.984 556 G CA 0.308 45.323 45.100 -0.141 0.000 0.633 556 G HN 0.690 nan 8.290 nan 0.000 0.525 557 S N 0.059 115.654 115.700 -0.176 0.000 2.593 557 S HA 0.635 5.110 4.470 0.008 0.000 0.269 557 S C 1.701 176.147 174.600 -0.256 0.000 1.334 557 S CA -0.086 57.997 58.200 -0.195 0.000 1.015 557 S CB 1.369 64.453 63.200 -0.194 0.000 0.912 557 S HN 0.416 nan 8.310 nan 0.000 0.541 558 L N 1.487 122.546 121.223 -0.275 0.000 2.042 558 L HA -0.131 4.214 4.340 0.008 0.000 0.210 558 L C 2.649 179.253 176.870 -0.442 0.000 1.076 558 L CA 1.184 55.815 54.840 -0.348 0.000 0.749 558 L CB -0.916 40.958 42.059 -0.309 0.000 0.893 558 L HN 0.632 nan 8.230 nan 0.000 0.432 559 V N 0.187 119.810 119.914 -0.484 0.000 2.255 559 V HA -0.340 3.785 4.120 0.008 0.000 0.247 559 V C 2.760 178.644 176.094 -0.349 0.000 1.051 559 V CA 2.051 64.094 62.300 -0.429 0.000 1.018 559 V CB -0.964 30.654 31.823 -0.341 0.000 0.641 559 V HN 0.515 nan 8.190 nan 0.000 0.445 560 A N -0.540 122.091 122.820 -0.315 0.000 1.933 560 A HA -0.205 4.120 4.320 0.008 0.000 0.218 560 A C 2.278 179.677 177.584 -0.309 0.000 1.175 560 A CA 1.785 53.642 52.037 -0.301 0.000 0.628 560 A CB -0.379 18.476 19.000 -0.241 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.658 119.541 120.400 -0.335 0.000 2.103 561 K HA -0.036 4.289 4.320 0.008 0.000 0.204 561 K C 2.045 178.339 176.600 -0.510 0.000 1.052 561 K CA 1.108 57.159 56.287 -0.394 0.000 0.945 561 K CB -0.119 32.113 32.500 -0.446 0.000 0.722 561 K HN 0.393 nan 8.250 nan 0.000 0.443 562 R N 0.220 120.437 120.500 -0.471 0.000 2.240 562 R HA 0.084 4.429 4.340 0.008 0.000 0.203 562 R C 0.610 176.877 176.300 -0.054 0.000 1.011 562 R CA 0.501 56.385 56.100 -0.361 0.000 1.007 562 R CB 0.373 30.560 30.300 -0.188 0.000 0.911 562 R HN -0.007 nan 8.270 nan 0.000 0.468 563 A N 1.580 124.250 122.820 -0.249 0.000 3.204 563 A HA 0.283 4.609 4.320 0.008 0.000 0.327 563 A C -1.995 175.175 177.584 -0.690 0.000 0.998 563 A CA -1.192 50.525 52.037 -0.534 0.000 0.891 563 A CB 0.532 19.047 19.000 -0.809 0.000 1.061 563 A HN -0.071 nan 8.150 nan 0.000 0.478 564 P HA -0.173 nan 4.420 nan 0.000 0.221 564 P C 1.328 178.531 177.300 -0.161 0.000 1.145 564 P CA 1.078 64.057 63.100 -0.202 0.000 0.795 564 P CB -0.199 31.460 31.700 -0.068 0.000 0.775 565 W N 0.035 121.295 121.300 -0.068 0.000 2.467 565 W HA 0.248 4.913 4.660 0.008 0.000 0.275 565 W C 1.597 178.119 176.519 0.005 0.000 1.239 565 W CA 0.573 57.893 57.345 -0.041 0.000 1.266 565 W CB -1.687 27.733 29.460 -0.066 0.000 1.112 565 W HN -0.084 nan 8.180 nan 0.000 0.576 566 A N 1.289 123.655 122.820 -0.757 0.000 2.119 566 A HA -0.065 4.260 4.320 0.008 0.000 0.217 566 A C 2.108 179.525 177.584 -0.279 0.000 1.153 566 A CA 1.558 53.223 52.037 -0.620 0.000 0.692 566 A CB -0.795 17.556 19.000 -1.081 0.000 0.799 566 A HN 0.227 nan 8.150 nan 0.000 0.458 567 S N -0.638 114.907 115.700 -0.257 0.000 2.442 567 S HA -0.037 4.438 4.470 0.008 0.000 0.236 567 S C 0.289 174.634 174.600 -0.424 0.000 1.007 567 S CA 0.875 58.890 58.200 -0.309 0.000 0.965 567 S CB -0.269 62.745 63.200 -0.311 0.000 0.773 567 S HN 0.800 nan 8.310 nan 0.000 0.504 568 H N -1.292 117.782 119.070 0.005 0.000 2.768 568 H HA 0.430 4.991 4.556 0.009 0.000 0.371 568 H C 0.692 176.081 175.328 0.102 0.000 1.151 568 H CA -0.508 55.575 56.048 0.059 0.000 1.165 568 H CB 1.431 31.214 29.762 0.034 0.000 1.722 568 H HN -0.131 nan 8.280 nan 0.000 0.543 569 S N 0.566 116.430 115.700 0.272 0.000 2.402 569 S HA 0.017 4.492 4.470 0.008 0.000 0.229 569 S C 0.441 175.125 174.600 0.140 0.000 1.021 569 S CA 0.623 58.966 58.200 0.239 0.000 0.974 569 S CB 0.292 63.736 63.200 0.406 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.520 122.444 119.914 0.017 0.000 2.709 570 V HA 0.437 4.562 4.120 0.008 0.000 0.308 570 V C -1.076 174.895 176.094 -0.204 0.000 1.062 570 V CA -0.964 61.179 62.300 -0.262 0.000 0.901 570 V CB 2.076 33.473 31.823 -0.711 0.000 1.003 570 V HN 0.235 nan 8.190 nan 0.000 0.425 571 N N 2.982 121.550 118.700 -0.220 0.000 2.430 571 N HA 0.554 5.299 4.740 0.008 0.000 0.290 571 N C -1.465 173.973 175.510 -0.120 0.000 1.063 571 N CA -0.288 52.690 53.050 -0.121 0.000 0.883 571 N CB 2.716 41.235 38.487 0.054 0.000 1.465 571 N HN 0.348 nan 8.380 nan 0.000 0.493 572 V N 2.174 122.008 119.914 -0.132 0.000 2.444 572 V HA 0.518 4.644 4.120 0.008 0.000 0.294 572 V C 0.232 176.369 176.094 0.071 0.000 1.022 572 V CA -0.756 61.541 62.300 -0.005 0.000 0.850 572 V CB 1.593 33.441 31.823 0.041 0.000 0.992 572 V HN 0.479 nan 8.190 nan 0.000 0.426 573 V N 3.368 123.368 119.914 0.143 0.000 3.102 573 V HA 0.796 4.921 4.120 0.008 0.000 0.312 573 V C -2.940 173.205 176.094 0.085 0.000 1.135 573 V CA -3.073 59.294 62.300 0.112 0.000 1.022 573 V CB 2.234 34.145 31.823 0.147 0.000 1.056 573 V HN 0.606 nan 8.190 nan 0.000 0.436 574 P HA 0.183 nan 4.420 nan 0.000 0.269 574 P C -1.232 176.054 177.300 -0.022 0.000 1.209 574 P CA 0.223 63.344 63.100 0.035 0.000 0.776 574 P CB 0.048 31.759 31.700 0.018 0.000 0.876 575 Y N 3.182 123.443 120.300 -0.064 0.000 2.411 575 Y HA 0.354 4.908 4.550 0.008 0.000 0.333 575 Y C 0.095 175.915 175.900 -0.133 0.000 1.186 575 Y CA 0.618 58.652 58.100 -0.110 0.000 1.381 575 Y CB 0.587 38.995 38.460 -0.085 0.000 1.273 575 Y HN 0.216 nan 8.280 nan 0.000 0.546 576 K N 3.832 123.493 120.400 -1.232 0.000 2.542 576 K HA 0.241 4.566 4.320 0.008 0.000 0.259 576 K C -1.723 174.214 176.600 -1.105 0.000 0.932 576 K CA -0.677 55.129 56.287 -0.802 0.000 0.820 576 K CB 1.251 33.456 32.500 -0.491 0.000 1.345 576 K HN 0.629 nan 8.250 nan 0.000 0.432 577 D N 2.182 122.264 120.400 -0.529 0.000 2.443 577 D HA 0.018 4.663 4.640 0.008 0.000 0.239 577 D C 0.277 176.387 176.300 -0.316 0.000 1.136 577 D CA 0.841 54.665 54.000 -0.292 0.000 0.879 577 D CB 0.531 41.304 40.800 -0.045 0.000 1.195 577 D HN 0.593 nan 8.370 nan 0.000 0.443 578 N N 1.125 119.665 118.700 -0.266 0.000 2.782 578 N HA -0.206 4.539 4.740 0.008 0.000 0.251 578 N C -0.602 174.712 175.510 -0.328 0.000 1.101 578 N CA 0.471 53.362 53.050 -0.264 0.000 0.764 578 N CB -0.401 37.969 38.487 -0.195 0.000 1.122 578 N HN 0.440 nan 8.380 nan 0.000 0.561 579 R N 0.940 121.139 120.500 -0.503 0.000 3.171 579 R HA 0.280 4.625 4.340 0.008 0.000 0.241 579 R C 1.376 177.351 176.300 -0.541 0.000 1.421 579 R CA -0.134 55.521 56.100 -0.741 0.000 1.444 579 R CB 0.279 29.793 30.300 -1.310 0.000 1.247 579 R HN 0.235 nan 8.270 nan 0.000 0.636 580 L N 0.536 121.538 121.223 -0.368 0.000 2.347 580 L HA 0.181 4.526 4.340 0.008 0.000 0.196 580 L C -0.081 176.621 176.870 -0.279 0.000 1.072 580 L CA 0.460 54.992 54.840 -0.513 0.000 0.817 580 L CB 0.096 41.444 42.059 -1.184 0.000 1.029 580 L HN 0.319 nan 8.230 nan 0.000 0.478 581 Y N 1.397 121.848 120.300 0.250 0.000 2.434 581 Y HA 0.256 4.812 4.550 0.009 0.000 0.341 581 Y C -1.525 174.400 175.900 0.042 0.000 0.965 581 Y CA -3.454 54.715 58.100 0.114 0.000 1.205 581 Y CB -0.190 38.245 38.460 -0.040 0.000 1.121 581 Y HN -0.039 nan 8.280 nan 0.000 0.507 582 P HA -0.119 nan 4.420 nan 0.000 0.223 582 P C 0.575 177.762 177.300 -0.189 0.000 1.144 582 P CA 1.147 63.994 63.100 -0.422 0.000 0.783 582 P CB 0.522 31.937 31.700 -0.475 0.000 0.771 583 S N -1.027 114.678 115.700 0.009 0.000 2.575 583 S HA 0.481 4.956 4.470 0.008 0.000 0.237 583 S C 0.792 175.304 174.600 -0.146 0.000 0.975 583 S CA 0.288 58.576 58.200 0.147 0.000 0.960 583 S CB 0.027 63.448 63.200 0.368 0.000 0.822 583 S HN 0.530 nan 8.310 nan 0.000 0.472 584 G N 1.354 110.001 108.800 -0.255 0.000 2.662 584 G HA2 -0.137 3.828 3.960 0.008 0.000 0.686 584 G HA3 -0.137 3.828 3.960 0.008 0.000 0.686 584 G C -0.433 174.367 174.900 -0.167 0.000 1.271 584 G CA -0.428 44.471 45.100 -0.335 0.000 0.816 584 G HN 0.187 nan 8.290 nan 0.000 0.608 585 D N -0.091 120.188 120.400 -0.202 0.000 2.183 585 D HA 0.028 4.674 4.640 0.008 0.000 0.203 585 D C 0.724 176.698 176.300 -0.543 0.000 0.969 585 D CA 1.354 55.176 54.000 -0.296 0.000 0.842 585 D CB 0.015 40.587 40.800 -0.379 0.000 0.957 585 D HN 0.489 nan 8.370 nan 0.000 0.484 586 H N 0.372 119.410 119.070 -0.053 0.000 2.786 586 H HA 0.241 4.803 4.556 0.008 0.000 0.284 586 H C 1.000 176.306 175.328 -0.037 0.000 1.104 586 H CA -0.291 55.740 56.048 -0.028 0.000 1.339 586 H CB 1.524 31.281 29.762 -0.009 0.000 1.427 586 H HN -0.210 nan 8.280 nan 0.000 0.497 587 V N 3.568 123.515 119.914 0.055 0.000 2.407 587 V HA -0.029 4.096 4.120 0.008 0.000 0.245 587 V C -1.590 174.606 176.094 0.170 0.000 1.041 587 V CA 0.537 62.901 62.300 0.108 0.000 1.040 587 V CB -1.049 30.805 31.823 0.052 0.000 0.671 587 V HN 0.449 nan 8.190 nan 0.000 0.455 588 P HA 0.006 nan 4.420 nan 0.000 0.261 588 P C 0.320 177.733 177.300 0.188 0.000 1.173 588 P CA 0.883 64.045 63.100 0.102 0.000 0.760 588 P CB 0.007 31.737 31.700 0.050 0.000 0.783 589 Q N -1.652 118.286 119.800 0.230 0.000 2.416 589 Q HA -0.236 4.109 4.340 0.008 0.000 0.235 589 Q C -0.276 175.993 176.000 0.449 0.000 0.773 589 Q CA 0.538 56.543 55.803 0.337 0.000 1.286 589 Q CB -1.765 27.115 28.738 0.238 0.000 1.556 589 Q HN 0.547 nan 8.270 nan 0.000 0.650 590 W N 1.811 123.195 121.300 0.140 0.000 2.266 590 W HA 0.297 4.962 4.660 0.008 0.000 0.317 590 W C 1.241 177.663 176.519 -0.162 0.000 1.310 590 W CA 0.006 57.368 57.345 0.029 0.000 1.207 590 W CB 0.559 30.019 29.460 -0.001 0.000 1.199 590 W HN 0.116 nan 8.180 nan 0.000 0.544 591 S N 3.490 118.780 115.700 -0.684 0.000 2.481 591 S HA 0.102 4.577 4.470 0.008 0.000 0.231 591 S C 1.583 175.378 174.600 -1.342 0.000 0.996 591 S CA 0.915 58.269 58.200 -1.410 0.000 0.942 591 S CB -0.395 62.236 63.200 -0.948 0.000 0.768 591 S HN 1.721 nan 8.310 nan 0.000 0.520 592 G N 0.617 108.141 108.800 -2.128 0.000 2.176 592 G HA2 -0.162 3.803 3.960 0.008 0.000 0.232 592 G HA3 -0.162 3.803 3.960 0.008 0.000 0.232 592 G C -0.474 173.788 174.900 -1.064 0.000 0.986 592 G CA 0.052 43.913 45.100 -2.065 0.000 0.643 592 G HN 0.561 nan 8.290 nan 0.000 0.522 593 D N 1.178 121.197 120.400 -0.634 0.000 2.225 593 D HA 0.558 5.203 4.640 0.008 0.000 0.248 593 D C 0.720 177.149 176.300 0.214 0.000 1.096 593 D CA 1.430 55.342 54.000 -0.147 0.000 0.863 593 D CB 1.354 42.081 40.800 -0.121 0.000 1.156 593 D HN 1.377 nan 8.370 nan 0.000 0.450 594 G N 0.176 109.085 108.800 0.181 0.000 2.428 594 G HA2 -0.077 3.888 3.960 0.008 0.000 0.681 594 G HA3 -0.077 3.888 3.960 0.008 0.000 0.681 594 G C -0.998 174.000 174.900 0.164 0.000 1.340 594 G CA -1.009 44.211 45.100 0.200 0.000 0.915 594 G HN 0.336 nan 8.290 nan 0.000 0.645 595 V N 2.351 122.300 119.914 0.058 0.000 2.322 595 V HA 0.650 4.775 4.120 0.008 0.000 0.258 595 V C 0.788 176.836 176.094 -0.076 0.000 1.074 595 V CA 0.612 62.910 62.300 -0.003 0.000 0.909 595 V CB -0.227 31.591 31.823 -0.007 0.000 1.090 595 V HN 1.050 nan 8.190 nan 0.000 0.486 596 R N 2.919 123.325 120.500 -0.158 0.000 2.752 596 R HA 0.815 5.160 4.340 0.008 0.000 0.271 596 R C 0.418 176.419 176.300 -0.498 0.000 1.026 596 R CA -0.141 55.767 56.100 -0.321 0.000 0.901 596 R CB 1.180 31.204 30.300 -0.460 0.000 1.243 596 R HN 0.819 nan 8.270 nan 0.000 0.463 597 G N 1.233 109.629 108.800 -0.673 0.000 2.594 597 G HA2 -0.431 3.534 3.960 0.008 0.000 0.297 597 G HA3 -0.431 3.534 3.960 0.008 0.000 0.297 597 G C 0.553 174.356 174.900 -1.829 0.000 1.273 597 G CA 0.844 45.255 45.100 -1.148 0.000 0.974 597 G HN 0.791 nan 8.290 nan 0.000 0.552 598 M N 0.420 119.173 119.600 -1.411 0.000 2.195 598 M HA -0.026 4.459 4.480 0.008 0.000 0.260 598 M C 2.394 178.423 176.300 -0.452 0.000 1.066 598 M CA 2.811 57.577 55.300 -0.890 0.000 1.089 598 M CB -0.517 31.860 32.600 -0.372 0.000 1.377 598 M HN 0.627 nan 8.290 nan 0.000 0.411 599 R N -0.414 119.885 120.500 -0.336 0.000 2.096 599 R HA -0.184 4.161 4.340 0.008 0.000 0.235 599 R C 2.244 178.452 176.300 -0.153 0.000 1.127 599 R CA 1.924 57.929 56.100 -0.159 0.000 0.968 599 R CB -0.355 29.909 30.300 -0.060 0.000 0.861 599 R HN 0.668 nan 8.270 nan 0.000 0.440 600 E N -0.504 119.541 120.200 -0.259 0.000 2.072 600 E HA -0.174 4.181 4.350 0.008 0.000 0.190 600 E C 1.404 178.026 176.600 0.038 0.000 0.982 600 E CA 1.060 57.387 56.400 -0.122 0.000 0.803 600 E CB -0.068 29.550 29.700 -0.137 0.000 0.755 600 E HN 0.408 nan 8.360 nan 0.000 0.453 601 W N 0.687 121.938 121.300 -0.081 0.000 2.363 601 W HA -0.057 4.608 4.660 0.008 0.000 0.296 601 W C 2.097 178.577 176.519 -0.065 0.000 1.212 601 W CA 0.267 57.560 57.345 -0.086 0.000 1.260 601 W CB -0.884 28.500 29.460 -0.127 0.000 1.131 601 W HN 0.161 nan 8.180 nan 0.000 0.530 602 I N -0.060 120.579 120.570 0.114 0.000 2.353 602 I HA -0.075 4.100 4.170 0.008 0.000 0.248 602 I C 2.135 178.271 176.117 0.033 0.000 1.119 602 I CA 1.323 62.651 61.300 0.047 0.000 1.417 602 I CB -1.045 36.950 38.000 -0.008 0.000 1.078 602 I HN 0.084 nan 8.210 nan 0.000 0.421 603 G N 2.311 111.127 108.800 0.026 0.000 2.611 603 G HA2 -0.427 3.538 3.960 0.008 0.000 0.301 603 G HA3 -0.427 3.538 3.960 0.008 0.000 0.301 603 G C 0.500 175.405 174.900 0.008 0.000 1.233 603 G CA 0.690 45.802 45.100 0.020 0.000 0.993 603 G HN 0.523 nan 8.290 nan 0.000 0.553 604 D N 1.249 121.656 120.400 0.011 0.000 2.328 604 D HA 0.375 5.021 4.640 0.008 0.000 0.226 604 D C 1.809 178.111 176.300 0.003 0.000 1.066 604 D CA 1.146 55.149 54.000 0.006 0.000 0.861 604 D CB -0.453 40.352 40.800 0.009 0.000 0.912 604 D HN 2.189 nan 8.370 nan 0.000 0.521 605 G N 0.393 109.195 108.800 0.003 0.000 2.162 605 G HA2 -0.363 3.602 3.960 0.008 0.000 0.260 605 G HA3 -0.363 3.602 3.960 0.008 0.000 0.260 605 G C 1.078 175.982 174.900 0.006 0.000 0.976 605 G CA 0.888 45.985 45.100 -0.004 0.000 0.655 605 G HN 0.696 nan 8.290 nan 0.000 0.533 606 S N -0.768 114.941 115.700 0.015 0.000 2.524 606 S HA 0.303 4.778 4.470 0.008 0.000 0.216 606 S C 0.640 175.257 174.600 0.029 0.000 0.987 606 S CA 0.591 58.804 58.200 0.022 0.000 0.909 606 S CB 0.377 63.589 63.200 0.021 0.000 0.781 606 S HN 0.625 nan 8.310 nan 0.000 0.521 607 E N 2.481 122.699 120.200 0.030 0.000 2.392 607 E HA 0.147 4.502 4.350 0.008 0.000 0.264 607 E C -0.236 176.390 176.600 0.044 0.000 1.024 607 E CA -0.345 56.076 56.400 0.036 0.000 0.903 607 E CB 0.243 29.965 29.700 0.036 0.000 0.963 607 E HN 0.398 nan 8.360 nan 0.000 0.432 608 N N 2.457 121.184 118.700 0.046 0.000 2.492 608 N HA 0.028 4.773 4.740 0.008 0.000 0.262 608 N C -0.025 175.523 175.510 0.063 0.000 1.202 608 N CA 0.224 53.307 53.050 0.055 0.000 0.926 608 N CB 0.405 38.920 38.487 0.048 0.000 1.078 608 N HN 0.551 nan 8.380 nan 0.000 0.454 609 I N -1.916 118.703 120.570 0.081 0.000 4.026 609 I HA 0.411 4.586 4.170 0.008 0.000 0.324 609 I C -0.490 175.678 176.117 0.086 0.000 1.474 609 I CA -0.541 60.815 61.300 0.093 0.000 1.107 609 I CB 0.282 38.358 38.000 0.125 0.000 1.345 609 I HN 0.260 nan 8.210 nan 0.000 0.531 610 D N 2.490 122.931 120.400 0.068 0.000 2.274 610 D HA 0.210 4.855 4.640 0.008 0.000 0.239 610 D C 0.309 176.612 176.300 0.005 0.000 1.104 610 D CA 0.080 54.103 54.000 0.038 0.000 0.840 610 D CB 0.634 41.476 40.800 0.070 0.000 1.100 610 D HN 0.243 nan 8.370 nan 0.000 0.477 611 N N 2.545 121.216 118.700 -0.049 0.000 2.641 611 N HA -0.222 4.523 4.740 0.008 0.000 0.267 611 N C -1.388 174.113 175.510 -0.015 0.000 1.087 611 N CA 1.318 54.342 53.050 -0.044 0.000 0.731 611 N CB -0.923 37.556 38.487 -0.014 0.000 0.886 611 N HN 0.565 nan 8.380 nan 0.000 0.547 612 T N -0.526 114.020 114.554 -0.014 0.000 2.649 612 T HA 0.274 4.629 4.350 0.008 0.000 0.305 612 T C -1.983 172.721 174.700 0.008 0.000 1.409 612 T CA -0.555 61.548 62.100 0.005 0.000 1.021 612 T CB 0.601 69.484 68.868 0.024 0.000 1.726 612 T HN 0.071 nan 8.240 nan 0.000 0.475 613 D N 2.320 122.735 120.400 0.024 0.000 2.295 613 D HA 0.504 5.149 4.640 0.008 0.000 0.248 613 D C 0.166 176.528 176.300 0.103 0.000 1.154 613 D CA 0.011 54.028 54.000 0.027 0.000 0.857 613 D CB 0.575 41.376 40.800 0.002 0.000 1.117 613 D HN 0.642 nan 8.370 nan 0.000 0.468 614 I N -1.805 118.828 120.570 0.104 0.000 3.108 614 I HA 0.601 4.776 4.170 0.008 0.000 0.312 614 I C -1.193 175.029 176.117 0.174 0.000 1.095 614 I CA -1.159 60.228 61.300 0.145 0.000 1.000 614 I CB 2.030 40.115 38.000 0.143 0.000 1.229 614 I HN 0.017 nan 8.210 nan 0.000 0.454 615 L N 2.722 124.053 121.223 0.180 0.000 2.381 615 L HA 0.477 4.822 4.340 0.008 0.000 0.274 615 L C -1.502 175.504 176.870 0.227 0.000 0.988 615 L CA -0.456 54.474 54.840 0.150 0.000 0.824 615 L CB 2.298 44.449 42.059 0.152 0.000 1.263 615 L HN 0.528 nan 8.230 nan 0.000 0.410 616 F N 3.929 123.850 119.950 -0.049 0.000 2.347 616 F HA 0.524 5.056 4.527 0.008 0.000 0.366 616 F C -0.973 174.768 175.800 -0.098 0.000 1.107 616 F CA -0.697 57.315 58.000 0.020 0.000 1.058 616 F CB 0.638 39.642 39.000 0.008 0.000 1.236 616 F HN 0.110 nan 8.300 nan 0.000 0.456 617 F N 5.260 125.260 119.950 0.085 0.000 2.404 617 F HA 0.290 4.822 4.527 0.008 0.000 0.354 617 F C -0.194 175.699 175.800 0.155 0.000 1.122 617 F CA -0.617 57.471 58.000 0.148 0.000 1.080 617 F CB 0.777 39.852 39.000 0.125 0.000 1.131 617 F HN 0.428 nan 8.300 nan 0.000 0.471 618 H N 1.492 120.743 119.070 0.301 0.000 2.481 618 H HA 0.460 5.021 4.556 0.008 0.000 0.333 618 H C -0.871 174.690 175.328 0.389 0.000 1.066 618 H CA -0.632 55.571 56.048 0.259 0.000 1.209 618 H CB 1.215 31.139 29.762 0.270 0.000 1.445 618 H HN 0.510 nan 8.280 nan 0.000 0.488 619 T N 7.447 122.001 114.554 0.001 0.000 2.744 619 T HA 0.421 4.776 4.350 0.008 0.000 0.291 619 T C -0.865 173.772 174.700 -0.105 0.000 0.957 619 T CA -0.293 61.870 62.100 0.106 0.000 1.002 619 T CB -0.333 68.691 68.868 0.260 0.000 0.919 619 T HN 0.487 nan 8.240 nan 0.000 0.468 620 F N 0.279 120.157 119.950 -0.120 0.000 2.685 620 F HA 0.962 5.494 4.527 0.008 0.000 0.315 620 F C 0.130 176.063 175.800 0.222 0.000 1.126 620 F CA -0.908 57.066 58.000 -0.043 0.000 0.950 620 F CB 1.085 40.014 39.000 -0.119 0.000 1.360 620 F HN 0.871 nan 8.300 nan 0.000 0.469 621 G N 0.280 109.200 108.800 0.200 0.000 2.356 621 G HA2 0.433 4.398 3.960 0.008 0.000 0.266 621 G HA3 0.433 4.398 3.960 0.008 0.000 0.266 621 G C -1.994 173.020 174.900 0.190 0.000 1.312 621 G CA -0.334 44.893 45.100 0.211 0.000 0.922 621 G HN 1.556 nan 8.290 nan 0.000 0.480 622 I N -2.916 117.756 120.570 0.170 0.000 3.095 622 I HA 0.860 5.036 4.170 0.008 0.000 0.310 622 I C -0.792 175.342 176.117 0.029 0.000 1.196 622 I CA -1.029 60.327 61.300 0.095 0.000 0.985 622 I CB 2.256 40.294 38.000 0.064 0.000 1.250 622 I HN 0.481 nan 8.210 nan 0.000 0.446 623 T N 1.302 115.829 114.554 -0.044 0.000 2.779 623 T HA 0.347 4.702 4.350 0.008 0.000 0.280 623 T C -1.017 173.513 174.700 -0.283 0.000 0.987 623 T CA -0.168 61.806 62.100 -0.210 0.000 0.966 623 T CB 0.267 69.021 68.868 -0.190 0.000 0.933 623 T HN 0.623 nan 8.240 nan 0.000 0.442 624 H N 2.697 121.392 119.070 -0.626 0.000 2.551 624 H HA 0.450 5.011 4.556 0.008 0.000 0.321 624 H C -1.263 173.649 175.328 -0.694 0.000 1.028 624 H CA -1.082 54.620 56.048 -0.577 0.000 1.215 624 H CB 0.423 29.813 29.762 -0.619 0.000 1.414 624 H HN 0.418 nan 8.280 nan 0.000 0.480 625 F N 6.527 126.587 119.950 0.182 0.000 2.325 625 F HA 0.287 4.819 4.527 0.008 0.000 0.369 625 F C -2.020 173.846 175.800 0.110 0.000 1.095 625 F CA -2.543 55.497 58.000 0.066 0.000 1.082 625 F CB 0.948 39.988 39.000 0.067 0.000 1.289 625 F HN 0.523 nan 8.300 nan 0.000 0.462 626 P HA 0.242 nan 4.420 nan 0.000 0.266 626 P C -0.723 176.670 177.300 0.155 0.000 1.193 626 P CA 0.087 63.222 63.100 0.058 0.000 0.770 626 P CB 0.782 32.465 31.700 -0.028 0.000 0.836 627 A N 4.024 126.948 122.820 0.174 0.000 2.515 627 A HA 0.602 4.927 4.320 0.008 0.000 0.296 627 A C -2.120 175.545 177.584 0.136 0.000 1.094 627 A CA -1.474 50.644 52.037 0.135 0.000 0.718 627 A CB 0.801 19.882 19.000 0.134 0.000 1.307 627 A HN 0.246 nan 8.150 nan 0.000 0.408 628 P HA -0.163 nan 4.420 nan 0.000 0.217 628 P C 0.763 178.169 177.300 0.176 0.000 1.148 628 P CA 1.572 64.761 63.100 0.148 0.000 0.828 628 P CB 0.275 32.046 31.700 0.118 0.000 0.783 629 E N -0.690 119.591 120.200 0.135 0.000 2.267 629 E HA -0.164 4.191 4.350 0.008 0.000 0.197 629 E C 1.269 177.943 176.600 0.123 0.000 0.998 629 E CA 1.044 57.511 56.400 0.112 0.000 0.830 629 E CB -0.703 29.046 29.700 0.082 0.000 0.751 629 E HN 0.355 nan 8.360 nan 0.000 0.491 630 D N -0.940 119.564 120.400 0.175 0.000 2.355 630 D HA -0.012 4.633 4.640 0.008 0.000 0.218 630 D C -0.263 176.176 176.300 0.231 0.000 1.004 630 D CA 0.369 54.483 54.000 0.190 0.000 0.880 630 D CB 0.117 41.082 40.800 0.276 0.000 0.911 630 D HN 0.065 nan 8.370 nan 0.000 0.528 631 F N 1.211 121.189 119.950 0.047 0.000 2.538 631 F HA 0.313 4.845 4.527 0.008 0.000 0.325 631 F C -1.675 174.144 175.800 0.032 0.000 1.066 631 F CA -2.367 55.654 58.000 0.034 0.000 0.946 631 F CB 2.145 41.178 39.000 0.056 0.000 1.199 631 F HN -0.305 nan 8.300 nan 0.000 0.473 632 P HA 0.073 nan 4.420 nan 0.000 0.240 632 P C -0.412 176.556 177.300 -0.552 0.000 1.190 632 P CA 0.826 63.192 63.100 -1.224 0.000 0.781 632 P CB 1.135 32.333 31.700 -0.837 0.000 0.931 633 L N 0.240 121.241 121.223 -0.372 0.000 2.386 633 L HA 0.518 4.864 4.340 0.008 0.000 0.271 633 L C -0.537 176.192 176.870 -0.235 0.000 0.993 633 L CA -1.161 53.401 54.840 -0.464 0.000 0.819 633 L CB 2.804 44.380 42.059 -0.805 0.000 1.294 633 L HN -0.168 nan 8.230 nan 0.000 0.414 634 M N 5.922 125.414 119.600 -0.179 0.000 2.209 634 M HA 0.478 4.963 4.480 0.008 0.000 0.355 634 M C -2.395 173.840 176.300 -0.109 0.000 1.171 634 M CA -1.493 53.759 55.300 -0.080 0.000 1.069 634 M CB 1.764 34.357 32.600 -0.012 0.000 1.622 634 M HN 0.261 nan 8.290 nan 0.000 0.459 635 P HA 0.123 nan 4.420 nan 0.000 0.269 635 P C -1.218 176.026 177.300 -0.093 0.000 1.209 635 P CA -0.162 62.889 63.100 -0.082 0.000 0.776 635 P CB 0.562 32.231 31.700 -0.052 0.000 0.876 636 A N 2.475 125.236 122.820 -0.098 0.000 2.546 636 A HA 0.014 4.339 4.320 0.008 0.000 0.243 636 A C 0.341 177.862 177.584 -0.106 0.000 1.063 636 A CA 0.411 52.385 52.037 -0.105 0.000 0.757 636 A CB -0.490 18.459 19.000 -0.085 0.000 0.991 636 A HN 0.569 nan 8.150 nan 0.000 0.503 637 E N 3.539 123.660 120.200 -0.131 0.000 2.145 637 E HA 0.392 4.747 4.350 0.008 0.000 0.270 637 E C -2.564 173.969 176.600 -0.111 0.000 0.906 637 E CA -2.256 54.066 56.400 -0.131 0.000 0.761 637 E CB 1.703 31.291 29.700 -0.188 0.000 1.116 637 E HN 0.544 nan 8.360 nan 0.000 0.408 638 P HA 0.285 nan 4.420 nan 0.000 0.278 638 P C -0.633 176.636 177.300 -0.052 0.000 1.238 638 P CA -0.130 62.926 63.100 -0.074 0.000 0.794 638 P CB 1.238 32.892 31.700 -0.076 0.000 0.955 639 I N 0.931 121.474 120.570 -0.046 0.000 2.656 639 I HA 0.463 4.638 4.170 0.008 0.000 0.292 639 I C -0.102 175.986 176.117 -0.048 0.000 1.144 639 I CA -0.447 60.851 61.300 -0.003 0.000 1.038 639 I CB 2.610 40.635 38.000 0.042 0.000 1.244 639 I HN 0.288 nan 8.210 nan 0.000 0.420 640 T N 6.753 121.272 114.554 -0.059 0.000 2.889 640 T HA 0.735 5.090 4.350 0.008 0.000 0.315 640 T C -1.892 172.693 174.700 -0.192 0.000 1.291 640 T CA -0.551 61.460 62.100 -0.148 0.000 1.028 640 T CB 1.503 70.295 68.868 -0.126 0.000 1.235 640 T HN 0.528 nan 8.240 nan 0.000 0.491 641 L N 1.713 122.764 121.223 -0.286 0.000 2.465 641 L HA 0.837 5.183 4.340 0.008 0.000 0.257 641 L C -1.533 175.204 176.870 -0.222 0.000 0.988 641 L CA -1.172 53.506 54.840 -0.269 0.000 0.827 641 L CB 1.424 43.225 42.059 -0.430 0.000 1.397 641 L HN 0.948 nan 8.230 nan 0.000 0.410 642 M N 2.328 121.842 119.600 -0.143 0.000 2.501 642 M HA 0.669 5.155 4.480 0.008 0.000 0.293 642 M C -2.100 174.172 176.300 -0.047 0.000 1.192 642 M CA -0.547 54.695 55.300 -0.097 0.000 0.886 642 M CB 2.718 35.283 32.600 -0.058 0.000 1.710 642 M HN 0.687 nan 8.290 nan 0.000 0.457 643 L N 4.899 126.128 121.223 0.011 0.000 2.345 643 L HA 0.580 4.925 4.340 0.008 0.000 0.274 643 L C -0.834 176.162 176.870 0.211 0.000 0.999 643 L CA -0.613 54.315 54.840 0.146 0.000 0.849 643 L CB 1.263 43.459 42.059 0.229 0.000 1.220 643 L HN 0.710 nan 8.230 nan 0.000 0.422 644 R N 3.253 123.777 120.500 0.040 0.000 2.711 644 R HA 0.672 5.017 4.340 0.008 0.000 0.284 644 R C -2.874 173.080 176.300 -0.576 0.000 0.968 644 R CA -2.093 53.913 56.100 -0.156 0.000 0.924 644 R CB 1.264 31.518 30.300 -0.076 0.000 1.162 644 R HN 0.139 nan 8.270 nan 0.000 0.465 645 P HA 0.126 nan 4.420 nan 0.000 0.276 645 P C -1.018 176.074 177.300 -0.347 0.000 1.243 645 P CA -0.331 62.175 63.100 -0.989 0.000 0.768 645 P CB 0.837 32.119 31.700 -0.696 0.000 0.856 646 R N 3.245 123.609 120.500 -0.226 0.000 2.483 646 R HA 0.271 4.616 4.340 0.008 0.000 0.303 646 R C 0.541 176.827 176.300 -0.023 0.000 0.987 646 R CA -0.684 55.325 56.100 -0.152 0.000 0.881 646 R CB 0.152 30.414 30.300 -0.063 0.000 1.177 646 R HN 0.657 nan 8.270 nan 0.000 0.451 647 H N 0.855 119.937 119.070 0.020 0.000 3.415 647 H HA -0.222 4.340 4.556 0.009 0.000 0.213 647 H C 0.740 176.061 175.328 -0.011 0.000 1.091 647 H CA 1.216 57.271 56.048 0.012 0.000 1.182 647 H CB -1.185 28.574 29.762 -0.004 0.000 1.160 647 H HN 0.534 nan 8.280 nan 0.000 0.319 648 F N 0.490 120.352 119.950 -0.146 0.000 2.149 648 F HA 0.154 4.686 4.527 0.008 0.000 0.294 648 F C 0.988 176.521 175.800 -0.444 0.000 1.095 648 F CA 0.709 58.505 58.000 -0.341 0.000 1.276 648 F CB 0.204 38.854 39.000 -0.583 0.000 1.023 648 F HN -0.062 nan 8.300 nan 0.000 0.480 649 F N -0.378 119.614 119.950 0.069 0.000 2.457 649 F HA 0.262 4.795 4.527 0.009 0.000 0.330 649 F C 1.670 177.434 175.800 -0.059 0.000 1.069 649 F CA -0.196 57.791 58.000 -0.022 0.000 1.009 649 F CB 0.621 39.625 39.000 0.007 0.000 1.276 649 F HN -0.225 nan 8.300 nan 0.000 0.492 650 T N -3.195 111.436 114.554 0.129 0.000 3.060 650 T HA 0.259 4.614 4.350 0.008 0.000 0.249 650 T C -0.150 174.633 174.700 0.139 0.000 1.079 650 T CA 0.217 62.307 62.100 -0.016 0.000 1.013 650 T CB -0.548 68.119 68.868 -0.334 0.000 0.975 650 T HN 0.721 nan 8.240 nan 0.000 0.518 651 E N 0.041 120.320 120.200 0.131 0.000 2.422 651 E HA 0.272 4.627 4.350 0.008 0.000 0.280 651 E C -1.393 175.205 176.600 -0.005 0.000 1.091 651 E CA -1.214 55.231 56.400 0.075 0.000 0.849 651 E CB -0.029 29.711 29.700 0.067 0.000 1.353 651 E HN -0.119 nan 8.360 nan 0.000 0.449 652 N N 2.220 120.881 118.700 -0.066 0.000 2.332 652 N HA -0.024 4.721 4.740 0.008 0.000 0.274 652 N C -1.262 174.149 175.510 -0.164 0.000 1.351 652 N CA -1.016 51.957 53.050 -0.128 0.000 0.875 652 N CB 0.641 39.007 38.487 -0.202 0.000 1.140 652 N HN 0.414 nan 8.380 nan 0.000 0.489 653 P HA 0.004 nan 4.420 nan 0.000 0.230 653 P C 0.741 177.951 177.300 -0.151 0.000 1.158 653 P CA 0.682 63.527 63.100 -0.426 0.000 0.769 653 P CB 0.098 31.096 31.700 -1.170 0.000 0.807 654 G N -0.325 108.468 108.800 -0.012 0.000 3.189 654 G HA2 0.083 4.048 3.960 0.008 0.000 0.225 654 G HA3 0.083 4.048 3.960 0.008 0.000 0.225 654 G C 1.292 176.352 174.900 0.267 0.000 1.159 654 G CA -0.194 44.996 45.100 0.151 0.000 0.763 654 G HN 0.176 nan 8.290 nan 0.000 0.549 655 L N 1.071 122.364 121.223 0.116 0.000 2.362 655 L HA -0.007 4.338 4.340 0.008 0.000 0.219 655 L C 1.851 178.795 176.870 0.123 0.000 1.134 655 L CA 1.022 55.914 54.840 0.087 0.000 0.807 655 L CB -0.052 41.967 42.059 -0.067 0.000 0.927 655 L HN 0.275 nan 8.230 nan 0.000 0.447 656 D N -0.288 120.180 120.400 0.115 0.000 2.325 656 D HA 0.050 4.695 4.640 0.008 0.000 0.225 656 D C 0.595 176.937 176.300 0.070 0.000 1.096 656 D CA -0.021 54.036 54.000 0.095 0.000 0.844 656 D CB -0.114 40.769 40.800 0.138 0.000 0.925 656 D HN 0.210 nan 8.370 nan 0.000 0.513 657 I N 1.457 122.081 120.570 0.090 0.000 2.395 657 I HA 0.020 4.195 4.170 0.008 0.000 0.289 657 I C 0.608 176.756 176.117 0.052 0.000 1.023 657 I CA -0.735 60.592 61.300 0.044 0.000 1.350 657 I CB 1.017 39.031 38.000 0.023 0.000 1.409 657 I HN -0.254 nan 8.210 nan 0.000 0.507 658 Q N 6.821 126.634 119.800 0.022 0.000 2.247 658 Q HA 0.108 4.454 4.340 0.008 0.000 0.288 658 Q C -2.150 173.862 176.000 0.020 0.000 1.079 658 Q CA -1.142 54.674 55.803 0.021 0.000 0.932 658 Q CB 0.040 28.784 28.738 0.009 0.000 1.133 658 Q HN 0.304 nan 8.270 nan 0.000 0.377 659 P HA 0.078 nan 4.420 nan 0.000 0.272 659 P C 0.304 177.623 177.300 0.032 0.000 1.223 659 P CA -0.003 63.120 63.100 0.039 0.000 0.784 659 P CB 0.787 32.523 31.700 0.059 0.000 0.923 660 S N 0.061 115.788 115.700 0.044 0.000 2.414 660 S HA -0.023 4.452 4.470 0.008 0.000 0.227 660 S C 0.089 174.781 174.600 0.154 0.000 1.022 660 S CA 1.089 59.332 58.200 0.072 0.000 0.958 660 S CB -0.375 62.860 63.200 0.058 0.000 0.797 660 S HN 0.575 nan 8.310 nan 0.000 0.493 661 Y N -0.199 120.108 120.300 0.013 0.000 2.519 661 Y HA 0.576 5.131 4.550 0.008 0.000 0.336 661 Y C -1.614 174.306 175.900 0.033 0.000 1.089 661 Y CA -1.165 56.947 58.100 0.020 0.000 1.025 661 Y CB 1.163 39.633 38.460 0.016 0.000 1.318 661 Y HN -0.064 nan 8.280 nan 0.000 0.452 662 A N 6.752 129.134 122.820 -0.731 0.000 2.480 662 A HA 0.670 4.995 4.320 0.008 0.000 0.289 662 A C -1.894 175.362 177.584 -0.547 0.000 1.044 662 A CA -0.494 51.276 52.037 -0.444 0.000 0.761 662 A CB 1.080 19.975 19.000 -0.174 0.000 1.289 662 A HN 0.823 nan 8.150 nan 0.000 0.401 663 M N 2.779 122.165 119.600 -0.357 0.000 2.204 663 M HA 0.456 4.941 4.480 0.008 0.000 0.293 663 M C -0.580 175.679 176.300 -0.068 0.000 0.994 663 M CA -0.012 55.169 55.300 -0.199 0.000 0.925 663 M CB 1.842 34.380 32.600 -0.103 0.000 1.577 663 M HN 0.668 nan 8.290 nan 0.000 0.439 664 T N 2.539 117.059 114.554 -0.057 0.000 2.828 664 T HA 0.158 4.513 4.350 0.008 0.000 0.290 664 T C 1.119 175.808 174.700 -0.019 0.000 1.019 664 T CA -0.066 62.016 62.100 -0.029 0.000 1.031 664 T CB 1.274 70.123 68.868 -0.031 0.000 1.001 664 T HN 0.813 nan 8.240 nan 0.000 0.531 665 T N 1.834 116.377 114.554 -0.017 0.000 2.746 665 T HA -0.129 4.226 4.350 0.008 0.000 0.267 665 T C 2.360 177.047 174.700 -0.022 0.000 1.039 665 T CA 1.724 63.810 62.100 -0.023 0.000 1.142 665 T CB -0.368 68.481 68.868 -0.032 0.000 0.866 665 T HN 0.753 nan 8.240 nan 0.000 0.444 666 S N 1.770 117.458 115.700 -0.021 0.000 2.383 666 S HA -0.087 4.388 4.470 0.008 0.000 0.227 666 S C 1.855 176.445 174.600 -0.016 0.000 1.026 666 S CA 0.927 59.115 58.200 -0.019 0.000 0.981 666 S CB -0.417 62.772 63.200 -0.019 0.000 0.818 666 S HN 0.596 nan 8.310 nan 0.000 0.472 667 E N 1.785 121.974 120.200 -0.018 0.000 2.150 667 E HA 0.029 4.384 4.350 0.008 0.000 0.193 667 E C 2.367 178.963 176.600 -0.006 0.000 0.985 667 E CA 0.877 57.268 56.400 -0.016 0.000 0.814 667 E CB -0.370 29.312 29.700 -0.029 0.000 0.752 667 E HN 0.726 nan 8.360 nan 0.000 0.466 668 A N 1.825 124.643 122.820 -0.003 0.000 1.898 668 A HA -0.178 4.147 4.320 0.008 0.000 0.216 668 A C 1.961 179.545 177.584 0.001 0.000 1.181 668 A CA 1.209 53.251 52.037 0.008 0.000 0.620 668 A CB -0.175 18.830 19.000 0.009 0.000 0.819 668 A HN 0.021 nan 8.150 nan 0.000 0.442 669 K N -0.720 119.675 120.400 -0.009 0.000 2.026 669 K HA -0.134 4.191 4.320 0.008 0.000 0.208 669 K C 2.353 178.949 176.600 -0.006 0.000 1.048 669 K CA 1.373 57.653 56.287 -0.011 0.000 0.929 669 K CB -0.201 32.289 32.500 -0.016 0.000 0.713 669 K HN 0.414 nan 8.250 nan 0.000 0.439 670 R N 0.955 121.451 120.500 -0.006 0.000 2.105 670 R HA -0.119 4.226 4.340 0.008 0.000 0.239 670 R C 1.779 178.080 176.300 0.001 0.000 1.135 670 R CA 1.397 57.495 56.100 -0.004 0.000 0.967 670 R CB -0.220 30.077 30.300 -0.005 0.000 0.861 670 R HN 0.171 nan 8.270 nan 0.000 0.442 671 A N 0.743 123.567 122.820 0.005 0.000 2.263 671 A HA 0.145 4.470 4.320 0.008 0.000 0.205 671 A C 0.596 178.185 177.584 0.009 0.000 1.226 671 A CA 0.548 52.592 52.037 0.012 0.000 0.810 671 A CB -0.473 18.541 19.000 0.023 0.000 0.784 671 A HN 0.204 nan 8.150 nan 0.000 0.486 672 V N 0.000 119.916 119.914 0.004 0.000 2.409 672 V HA 0.000 4.125 4.120 0.008 0.000 0.244 672 V CA 0.000 62.301 62.300 0.001 0.000 1.235 672 V CB 0.000 31.824 31.823 0.002 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556