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 1a2v_1_A 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 LSEMIVPYGS 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 0.000 177.302 177.300 0.003 0.000 1.155 18 P CA 0.000 63.099 63.100 -0.001 0.000 0.800 18 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 19 A N 0.280 123.102 122.820 0.003 0.000 2.292 19 A HA 0.685 5.005 4.320 -0.000 0.000 0.319 19 A C 0.157 177.748 177.584 0.012 0.000 1.206 19 A CA -0.551 51.490 52.037 0.008 0.000 0.835 19 A CB 0.331 19.336 19.000 0.008 0.000 1.164 19 A HN 0.429 nan 8.150 nan 0.000 0.505 20 R N 2.062 122.569 120.500 0.012 0.000 2.698 20 R HA 0.259 4.599 4.340 -0.000 0.000 0.266 20 R C -1.978 174.338 176.300 0.025 0.000 1.026 20 R CA -0.562 55.544 56.100 0.011 0.000 1.102 20 R CB -0.073 30.228 30.300 0.002 0.000 0.978 20 R HN 0.605 nan 8.270 nan 0.000 0.436 21 P HA 0.121 nan 4.420 nan 0.000 0.279 21 P C -0.311 177.036 177.300 0.079 0.000 1.276 21 P CA -0.386 62.753 63.100 0.065 0.000 0.801 21 P CB 0.973 32.724 31.700 0.085 0.000 1.127 22 A N 0.146 123.037 122.820 0.119 0.000 1.902 22 A HA -0.137 4.182 4.320 -0.000 0.000 0.217 22 A C 1.047 178.749 177.584 0.196 0.000 1.181 22 A CA 1.478 53.603 52.037 0.147 0.000 0.623 22 A CB -1.312 17.785 19.000 0.162 0.000 0.818 22 A HN 0.789 nan 8.150 nan 0.000 0.443 23 H N -1.994 117.147 119.070 0.118 0.000 2.529 23 H HA 0.422 4.978 4.556 -0.000 0.000 0.348 23 H C -2.249 173.066 175.328 -0.020 0.000 1.079 23 H CA -2.095 54.025 56.048 0.120 0.000 1.198 23 H CB 2.014 31.934 29.762 0.263 0.000 1.521 23 H HN -0.075 nan 8.280 nan 0.000 0.514 24 P HA -0.154 nan 4.420 nan 0.000 0.220 24 P C 0.693 178.027 177.300 0.057 0.000 1.144 24 P CA 1.207 64.220 63.100 -0.145 0.000 0.800 24 P CB 0.268 31.681 31.700 -0.478 0.000 0.772 25 L N -2.077 119.276 121.223 0.217 0.000 2.607 25 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 25 L C 0.328 177.121 176.870 -0.127 0.000 1.123 25 L CA -0.171 54.552 54.840 -0.195 0.000 0.890 25 L CB -0.438 41.193 42.059 -0.714 0.000 1.103 25 L HN -0.135 nan 8.230 nan 0.000 0.468 26 D N 1.929 122.407 120.400 0.131 0.000 2.455 26 D HA 0.103 4.742 4.640 -0.000 0.000 0.241 26 D C -2.024 174.383 176.300 0.177 0.000 1.138 26 D CA -0.940 53.218 54.000 0.263 0.000 0.877 26 D CB 0.688 41.633 40.800 0.241 0.000 1.187 26 D HN -0.051 nan 8.370 nan 0.000 0.451 27 P HA 0.045 nan 4.420 nan 0.000 0.271 27 P C 0.081 177.483 177.300 0.169 0.000 1.233 27 P CA -0.313 62.902 63.100 0.192 0.000 0.789 27 P CB 0.546 32.384 31.700 0.230 0.000 0.951 28 L N 0.532 121.854 121.223 0.165 0.000 2.485 28 L HA 0.082 4.422 4.340 -0.000 0.000 0.275 28 L C 1.286 178.223 176.870 0.112 0.000 1.207 28 L CA 0.064 54.978 54.840 0.124 0.000 0.855 28 L CB -0.099 42.033 42.059 0.121 0.000 1.114 28 L HN 0.496 nan 8.230 nan 0.000 0.485 29 S N -0.393 115.335 115.700 0.047 0.000 2.645 29 S HA 0.128 4.598 4.470 -0.000 0.000 0.266 29 S C 1.232 175.770 174.600 -0.104 0.000 1.258 29 S CA -0.176 58.000 58.200 -0.040 0.000 0.990 29 S CB 1.307 64.482 63.200 -0.041 0.000 0.967 29 S HN 0.770 nan 8.310 nan 0.000 0.556 30 T N -1.621 112.777 114.554 -0.260 0.000 2.881 30 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 30 T C 1.857 176.493 174.700 -0.106 0.000 1.068 30 T CA 1.012 62.991 62.100 -0.202 0.000 1.131 30 T CB -0.912 67.798 68.868 -0.264 0.000 0.871 30 T HN 0.848 nan 8.240 nan 0.000 0.479 31 A N 1.858 124.623 122.820 -0.091 0.000 1.897 31 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 31 A C 2.324 179.885 177.584 -0.038 0.000 1.181 31 A CA 1.323 53.326 52.037 -0.056 0.000 0.620 31 A CB -0.547 18.427 19.000 -0.044 0.000 0.821 31 A HN 0.615 nan 8.150 nan 0.000 0.443 32 E N -0.299 119.886 120.200 -0.025 0.000 2.106 32 E HA -0.103 4.246 4.350 -0.000 0.000 0.192 32 E C 1.838 178.432 176.600 -0.009 0.000 0.984 32 E CA 0.969 57.367 56.400 -0.004 0.000 0.806 32 E CB -0.249 29.463 29.700 0.019 0.000 0.750 32 E HN 0.679 nan 8.360 nan 0.000 0.458 33 I N 1.075 121.636 120.570 -0.014 0.000 2.163 33 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 33 I C 2.460 178.524 176.117 -0.088 0.000 1.085 33 I CA 1.071 62.355 61.300 -0.028 0.000 1.347 33 I CB -0.110 37.886 38.000 -0.007 0.000 1.044 33 I HN -0.017 nan 8.210 nan 0.000 0.408 34 K N 1.418 121.769 120.400 -0.082 0.000 2.057 34 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 34 K C 2.045 178.593 176.600 -0.086 0.000 1.050 34 K CA 1.599 57.827 56.287 -0.098 0.000 0.935 34 K CB -0.377 32.081 32.500 -0.071 0.000 0.715 34 K HN 0.262 nan 8.250 nan 0.000 0.439 35 A N 0.343 123.130 122.820 -0.055 0.000 1.972 35 A HA -0.047 4.272 4.320 -0.000 0.000 0.219 35 A C 2.292 179.852 177.584 -0.040 0.000 1.169 35 A CA 1.927 53.942 52.037 -0.036 0.000 0.635 35 A CB -0.865 18.124 19.000 -0.019 0.000 0.810 35 A HN 0.415 nan 8.150 nan 0.000 0.446 36 A N -0.219 122.570 122.820 -0.052 0.000 1.854 36 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 36 A C 2.469 179.987 177.584 -0.111 0.000 1.192 36 A CA 2.378 54.385 52.037 -0.050 0.000 0.611 36 A CB -1.400 17.588 19.000 -0.020 0.000 0.832 36 A HN 0.741 nan 8.150 nan 0.000 0.442 37 T N -1.610 112.799 114.554 -0.242 0.000 2.788 37 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 37 T C 1.659 176.293 174.700 -0.109 0.000 1.044 37 T CA 1.561 63.392 62.100 -0.449 0.000 1.139 37 T CB -0.580 67.757 68.868 -0.885 0.000 0.867 37 T HN 0.346 nan 8.240 nan 0.000 0.454 38 N N 1.354 120.007 118.700 -0.078 0.000 2.084 38 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 38 N C 2.115 177.641 175.510 0.027 0.000 1.030 38 N CA 1.820 54.867 53.050 -0.005 0.000 0.849 38 N CB -1.077 37.401 38.487 -0.016 0.000 1.012 38 N HN 0.508 nan 8.380 nan 0.000 0.423 39 T N 0.667 115.224 114.554 0.004 0.000 2.720 39 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 39 T C 2.109 176.823 174.700 0.024 0.000 1.037 39 T CA 0.896 63.002 62.100 0.010 0.000 1.144 39 T CB -0.296 68.567 68.868 -0.009 0.000 0.864 39 T HN -0.016 nan 8.240 nan 0.000 0.444 40 V N 1.469 121.397 119.914 0.023 0.000 2.307 40 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 40 V C 2.501 178.744 176.094 0.249 0.000 1.045 40 V CA 1.406 63.737 62.300 0.052 0.000 1.024 40 V CB -0.443 31.377 31.823 -0.004 0.000 0.651 40 V HN 0.451 nan 8.190 nan 0.000 0.449 41 K N 0.215 120.784 120.400 0.281 0.000 2.074 41 K HA -0.174 4.145 4.320 -0.000 0.000 0.209 41 K C 2.395 179.090 176.600 0.159 0.000 1.048 41 K CA 1.847 58.281 56.287 0.246 0.000 0.926 41 K CB -0.368 32.262 32.500 0.216 0.000 0.713 41 K HN 0.412 nan 8.250 nan 0.000 0.444 42 S N 0.528 116.291 115.700 0.105 0.000 2.368 42 S HA -0.159 4.310 4.470 -0.000 0.000 0.224 42 S C 1.756 176.361 174.600 0.009 0.000 1.029 42 S CA 0.959 59.189 58.200 0.051 0.000 0.988 42 S CB -0.408 62.814 63.200 0.037 0.000 0.838 42 S HN 0.328 nan 8.310 nan 0.000 0.462 43 Y N 1.253 121.460 120.300 -0.155 0.000 2.165 43 Y HA -0.114 4.435 4.550 -0.000 0.000 0.286 43 Y C 0.725 176.337 175.900 -0.480 0.000 1.155 43 Y CA 1.347 59.229 58.100 -0.364 0.000 1.164 43 Y CB -0.185 37.942 38.460 -0.555 0.000 0.978 43 Y HN 0.189 nan 8.280 nan 0.000 0.513 44 F N 0.837 120.843 119.950 0.094 0.000 2.986 44 F HA 0.438 4.965 4.527 -0.000 0.000 0.297 44 F C 0.804 176.592 175.800 -0.020 0.000 1.210 44 F CA -0.504 57.503 58.000 0.012 0.000 1.346 44 F CB -0.885 38.142 39.000 0.045 0.000 1.007 44 F HN 0.004 nan 8.300 nan 0.000 0.512 45 A N 0.158 123.001 122.820 0.039 0.000 2.546 45 A HA 0.407 4.727 4.320 -0.000 0.000 0.243 45 A C 1.563 179.166 177.584 0.032 0.000 1.063 45 A CA 0.898 52.953 52.037 0.030 0.000 0.757 45 A CB -0.515 18.476 19.000 -0.016 0.000 0.991 45 A HN 1.124 nan 8.150 nan 0.000 0.503 46 G N 1.778 110.600 108.800 0.037 0.000 2.225 46 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.254 46 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.254 46 G C 0.266 175.186 174.900 0.033 0.000 0.988 46 G CA 0.554 45.670 45.100 0.026 0.000 0.625 46 G HN 0.793 nan 8.290 nan 0.000 0.527 47 K N 0.430 120.865 120.400 0.059 0.000 2.130 47 K HA 0.433 4.752 4.320 -0.000 0.000 0.268 47 K C -0.111 176.495 176.600 0.010 0.000 0.983 47 K CA -0.785 55.526 56.287 0.042 0.000 0.893 47 K CB 1.928 34.476 32.500 0.080 0.000 1.066 47 K HN 0.160 nan 8.250 nan 0.000 0.450 48 K N 4.108 124.496 120.400 -0.020 0.000 2.150 48 K HA 0.148 4.468 4.320 -0.000 0.000 0.261 48 K C 0.168 176.716 176.600 -0.086 0.000 1.127 48 K CA -0.214 56.052 56.287 -0.035 0.000 0.989 48 K CB -0.386 32.097 32.500 -0.028 0.000 1.475 48 K HN 0.560 nan 8.250 nan 0.000 0.391 49 I N -0.468 120.029 120.570 -0.121 0.000 2.676 49 I HA 0.533 4.703 4.170 -0.000 0.000 0.309 49 I C -0.410 175.557 176.117 -0.250 0.000 0.990 49 I CA -0.647 60.506 61.300 -0.246 0.000 1.168 49 I CB 1.973 39.739 38.000 -0.390 0.000 1.343 49 I HN 0.364 nan 8.210 nan 0.000 0.482 50 S N 4.022 119.533 115.700 -0.316 0.000 2.536 50 S HA 0.641 5.111 4.470 -0.000 0.000 0.287 50 S C -1.087 173.316 174.600 -0.328 0.000 1.101 50 S CA -0.628 57.444 58.200 -0.214 0.000 0.950 50 S CB 1.284 64.430 63.200 -0.091 0.000 1.056 50 S HN 0.503 nan 8.310 nan 0.000 0.481 51 F N 3.587 123.523 119.950 -0.024 0.000 2.411 51 F HA 0.454 4.981 4.527 -0.000 0.000 0.350 51 F C 1.729 177.520 175.800 -0.014 0.000 1.114 51 F CA -0.560 57.431 58.000 -0.014 0.000 1.135 51 F CB 1.265 40.264 39.000 -0.002 0.000 1.120 51 F HN 0.837 nan 8.300 nan 0.000 0.495 52 N N 1.028 119.803 118.700 0.125 0.000 2.482 52 N HA 0.026 4.766 4.740 -0.000 0.000 0.179 52 N C -0.398 175.169 175.510 0.095 0.000 1.039 52 N CA 0.682 53.778 53.050 0.077 0.000 0.884 52 N CB 0.669 39.175 38.487 0.032 0.000 1.113 52 N HN 0.554 nan 8.380 nan 0.000 0.440 53 T N 0.547 115.141 114.554 0.067 0.000 3.105 53 T HA 0.418 4.768 4.350 -0.000 0.000 0.321 53 T C -1.484 173.206 174.700 -0.016 0.000 1.135 53 T CA -0.467 61.584 62.100 -0.082 0.000 1.053 53 T CB 2.464 71.127 68.868 -0.341 0.000 1.133 53 T HN -0.144 nan 8.240 nan 0.000 0.463 54 V N 2.814 122.729 119.914 0.001 0.000 2.462 54 V HA 0.767 4.887 4.120 -0.000 0.000 0.288 54 V C -0.116 176.037 176.094 0.098 0.000 1.020 54 V CA -0.476 61.868 62.300 0.074 0.000 0.857 54 V CB 1.588 33.442 31.823 0.051 0.000 1.013 54 V HN 0.971 nan 8.190 nan 0.000 0.431 55 T N 3.834 118.477 114.554 0.149 0.000 2.816 55 T HA 0.637 4.986 4.350 -0.000 0.000 0.299 55 T C -1.215 173.634 174.700 0.249 0.000 1.230 55 T CA -0.499 61.737 62.100 0.227 0.000 1.007 55 T CB 1.678 70.714 68.868 0.281 0.000 1.289 55 T HN 0.551 nan 8.240 nan 0.000 0.508 56 L N 2.851 124.209 121.223 0.224 0.000 2.456 56 L HA 0.632 4.972 4.340 -0.000 0.000 0.272 56 L C 0.137 177.104 176.870 0.162 0.000 1.189 56 L CA 0.041 54.984 54.840 0.172 0.000 0.846 56 L CB 0.502 42.645 42.059 0.139 0.000 1.111 56 L HN 0.616 nan 8.230 nan 0.000 0.475 57 R N 4.185 124.763 120.500 0.130 0.000 2.278 57 R HA 0.329 4.669 4.340 -0.000 0.000 0.322 57 R C -0.682 175.644 176.300 0.044 0.000 1.058 57 R CA -0.240 55.910 56.100 0.083 0.000 0.991 57 R CB -0.042 30.318 30.300 0.100 0.000 1.140 57 R HN 0.751 nan 8.270 nan 0.000 0.518 58 E N 5.189 125.399 120.200 0.016 0.000 2.437 58 E HA 0.048 4.397 4.350 -0.000 0.000 0.263 58 E C -1.844 174.763 176.600 0.013 0.000 1.030 58 E CA -1.264 55.135 56.400 -0.003 0.000 0.934 58 E CB 0.150 29.825 29.700 -0.042 0.000 0.943 58 E HN 0.546 nan 8.360 nan 0.000 0.444 59 P HA 0.012 nan 4.420 nan 0.000 0.272 59 P C -0.866 176.490 177.300 0.093 0.000 1.240 59 P CA -0.256 62.881 63.100 0.061 0.000 0.791 59 P CB 0.486 32.238 31.700 0.087 0.000 0.978 60 A N 1.801 124.678 122.820 0.095 0.000 2.498 60 A HA 0.008 4.328 4.320 -0.000 0.000 0.239 60 A C 1.841 179.511 177.584 0.144 0.000 1.068 60 A CA -0.101 52.003 52.037 0.111 0.000 0.766 60 A CB -0.396 18.656 19.000 0.087 0.000 1.003 60 A HN 0.668 nan 8.150 nan 0.000 0.497 61 R N 1.030 121.602 120.500 0.120 0.000 2.096 61 R HA -0.180 4.160 4.340 -0.000 0.000 0.240 61 R C 2.038 178.321 176.300 -0.028 0.000 1.139 61 R CA 2.144 58.208 56.100 -0.060 0.000 0.952 61 R CB -0.143 29.935 30.300 -0.370 0.000 0.854 61 R HN 0.818 nan 8.270 nan 0.000 0.436 62 K N -0.152 120.249 120.400 0.002 0.000 2.026 62 K HA -0.134 4.185 4.320 -0.000 0.000 0.208 62 K C 1.939 178.579 176.600 0.067 0.000 1.048 62 K CA 1.517 57.812 56.287 0.014 0.000 0.929 62 K CB -0.214 32.300 32.500 0.023 0.000 0.713 62 K HN 0.280 nan 8.250 nan 0.000 0.439 63 A N 0.415 123.292 122.820 0.095 0.000 1.877 63 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 63 A C 2.123 179.808 177.584 0.168 0.000 1.186 63 A CA 1.585 53.688 52.037 0.110 0.000 0.620 63 A CB -0.945 18.110 19.000 0.092 0.000 0.822 63 A HN 0.543 nan 8.150 nan 0.000 0.443 64 Y N 0.465 120.833 120.300 0.113 0.000 2.097 64 Y HA -0.219 4.330 4.550 -0.000 0.000 0.282 64 Y C 2.027 178.101 175.900 0.289 0.000 1.152 64 Y CA 2.022 60.249 58.100 0.212 0.000 1.136 64 Y CB -0.290 38.299 38.460 0.216 0.000 0.975 64 Y HN 0.266 nan 8.280 nan 0.000 0.498 65 I N 0.162 120.861 120.570 0.215 0.000 2.286 65 I HA -0.349 3.820 4.170 -0.000 0.000 0.248 65 I C 2.411 178.515 176.117 -0.021 0.000 1.115 65 I CA 1.604 62.953 61.300 0.081 0.000 1.392 65 I CB -0.479 37.559 38.000 0.063 0.000 1.065 65 I HN 0.371 nan 8.210 nan 0.000 0.418 66 Q N -0.467 119.345 119.800 0.020 0.000 2.084 66 Q HA -0.269 4.071 4.340 -0.000 0.000 0.202 66 Q C 2.019 178.007 176.000 -0.019 0.000 0.978 66 Q CA 2.139 57.943 55.803 0.001 0.000 0.844 66 Q CB -0.309 28.449 28.738 0.034 0.000 0.898 66 Q HN 0.645 nan 8.270 nan 0.000 0.426 67 W N 1.671 122.871 121.300 -0.167 0.000 2.355 67 W HA -0.152 4.507 4.660 -0.000 0.000 0.309 67 W C 1.983 178.353 176.519 -0.247 0.000 1.206 67 W CA 1.210 58.437 57.345 -0.197 0.000 1.284 67 W CB -0.037 29.285 29.460 -0.230 0.000 1.145 67 W HN -0.144 nan 8.180 nan 0.000 0.502 68 K N 0.227 120.270 120.400 -0.596 0.000 2.097 68 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 68 K C 1.178 177.469 176.600 -0.516 0.000 1.050 68 K CA 1.952 57.720 56.287 -0.866 0.000 0.938 68 K CB -0.087 32.080 32.500 -0.554 0.000 0.718 68 K HN 0.397 nan 8.250 nan 0.000 0.442 69 E N -1.343 118.679 120.200 -0.297 0.000 2.572 69 E HA 0.036 4.386 4.350 -0.000 0.000 0.220 69 E C 0.374 176.885 176.600 -0.149 0.000 0.945 69 E CA -0.042 56.243 56.400 -0.192 0.000 1.070 69 E CB 0.822 30.459 29.700 -0.105 0.000 1.090 69 E HN 0.196 nan 8.360 nan 0.000 0.506 70 Q N 0.205 119.919 119.800 -0.144 0.000 2.135 70 Q HA 0.234 4.574 4.340 -0.000 0.000 0.231 70 Q C 0.460 176.402 176.000 -0.097 0.000 0.817 70 Q CA 0.128 55.873 55.803 -0.096 0.000 1.073 70 Q CB 1.519 30.223 28.738 -0.057 0.000 1.176 70 Q HN 0.322 nan 8.270 nan 0.000 0.478 71 G N 0.646 109.353 108.800 -0.154 0.000 2.203 71 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.263 71 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.263 71 G C 0.472 175.336 174.900 -0.060 0.000 1.012 71 G CA -0.008 45.014 45.100 -0.130 0.000 0.749 71 G HN 0.520 nan 8.290 nan 0.000 0.512 72 G N 0.093 108.872 108.800 -0.035 0.000 2.667 72 G HA2 0.566 4.526 3.960 -0.000 0.000 0.250 72 G HA3 0.566 4.526 3.960 -0.000 0.000 0.250 72 G C -1.220 173.778 174.900 0.163 0.000 1.212 72 G CA -0.216 44.919 45.100 0.058 0.000 0.874 72 G HN 0.347 nan 8.290 nan 0.000 0.561 73 P HA 0.140 nan 4.420 nan 0.000 0.274 73 P C -0.334 177.071 177.300 0.176 0.000 1.237 73 P CA -0.713 62.483 63.100 0.159 0.000 0.793 73 P CB 1.051 32.796 31.700 0.076 0.000 0.977 74 L N 4.403 125.675 121.223 0.081 0.000 2.477 74 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 74 L C -2.019 174.736 176.870 -0.192 0.000 1.157 74 L CA -1.376 53.321 54.840 -0.238 0.000 0.889 74 L CB -0.974 40.985 42.059 -0.166 0.000 1.158 74 L HN 0.296 nan 8.230 nan 0.000 0.473 75 P HA 0.192 nan 4.420 nan 0.000 0.269 75 P C -2.537 174.704 177.300 -0.098 0.000 1.215 75 P CA -0.903 62.122 63.100 -0.124 0.000 0.780 75 P CB -0.344 31.294 31.700 -0.103 0.000 0.898 76 P HA 0.186 nan 4.420 nan 0.000 0.268 76 P C -0.359 176.929 177.300 -0.020 0.000 1.205 76 P CA -0.120 62.966 63.100 -0.023 0.000 0.771 76 P CB 0.381 32.082 31.700 0.000 0.000 0.858 77 R N 3.074 123.566 120.500 -0.013 0.000 2.220 77 R HA 0.370 4.710 4.340 -0.000 0.000 0.340 77 R C -0.765 175.552 176.300 0.029 0.000 1.076 77 R CA 0.114 56.215 56.100 0.002 0.000 0.920 77 R CB -0.882 29.418 30.300 0.001 0.000 1.062 77 R HN 0.431 nan 8.270 nan 0.000 0.469 78 L N 2.576 123.826 121.223 0.045 0.000 2.333 78 L HA 0.827 5.166 4.340 -0.000 0.000 0.269 78 L C -0.325 176.609 176.870 0.106 0.000 1.010 78 L CA -1.357 53.526 54.840 0.073 0.000 0.818 78 L CB 2.176 44.279 42.059 0.073 0.000 1.306 78 L HN 0.647 nan 8.230 nan 0.000 0.430 79 A N 1.172 124.075 122.820 0.138 0.000 2.371 79 A HA 0.607 4.926 4.320 -0.000 0.000 0.311 79 A C -1.733 176.007 177.584 0.259 0.000 1.068 79 A CA -0.385 51.760 52.037 0.180 0.000 0.744 79 A CB 1.139 20.228 19.000 0.148 0.000 1.239 79 A HN 0.597 nan 8.150 nan 0.000 0.435 80 Y N 3.117 123.494 120.300 0.129 0.000 2.330 80 Y HA 0.619 5.168 4.550 -0.000 0.000 0.336 80 Y C -0.852 175.138 175.900 0.150 0.000 1.036 80 Y CA -0.953 57.203 58.100 0.093 0.000 1.125 80 Y CB 0.913 39.408 38.460 0.058 0.000 1.194 80 Y HN 0.743 nan 8.280 nan 0.000 0.469 81 Y N 3.203 123.160 120.300 -0.572 0.000 2.570 81 Y HA 0.842 5.392 4.550 -0.000 0.000 0.345 81 Y C -2.054 173.480 175.900 -0.610 0.000 1.014 81 Y CA -1.796 56.039 58.100 -0.441 0.000 1.063 81 Y CB 1.320 39.761 38.460 -0.032 0.000 1.272 81 Y HN 0.356 nan 8.280 nan 0.000 0.477 82 V N 4.828 124.638 119.914 -0.173 0.000 2.524 82 V HA 0.499 4.619 4.120 -0.000 0.000 0.297 82 V C -0.312 175.777 176.094 -0.008 0.000 1.035 82 V CA -0.707 61.504 62.300 -0.148 0.000 0.867 82 V CB 1.267 33.039 31.823 -0.086 0.000 1.004 82 V HN 0.874 nan 8.190 nan 0.000 0.426 83 I N 2.668 123.199 120.570 -0.065 0.000 3.002 83 I HA 0.729 4.899 4.170 -0.000 0.000 0.310 83 I C -1.417 174.564 176.117 -0.228 0.000 1.087 83 I CA -1.030 60.135 61.300 -0.225 0.000 1.017 83 I CB 2.462 40.191 38.000 -0.451 0.000 1.226 83 I HN 0.269 nan 8.210 nan 0.000 0.443 84 L N 2.063 123.138 121.223 -0.247 0.000 2.362 84 L HA 0.561 4.901 4.340 -0.000 0.000 0.271 84 L C -0.603 176.130 176.870 -0.227 0.000 1.002 84 L CA -0.352 54.372 54.840 -0.193 0.000 0.818 84 L CB 1.924 43.905 42.059 -0.131 0.000 1.298 84 L HN 0.798 nan 8.230 nan 0.000 0.420 85 E N 1.643 121.728 120.200 -0.192 0.000 2.199 85 E HA 0.568 4.918 4.350 -0.000 0.000 0.265 85 E C -0.571 175.963 176.600 -0.110 0.000 0.882 85 E CA -0.693 55.600 56.400 -0.178 0.000 0.759 85 E CB 2.059 31.643 29.700 -0.193 0.000 1.148 85 E HN 0.727 nan 8.360 nan 0.000 0.412 86 A N 3.098 125.865 122.820 -0.088 0.000 2.567 86 A HA 0.376 4.696 4.320 -0.000 0.000 0.240 86 A C 1.291 178.847 177.584 -0.046 0.000 1.053 86 A CA 0.947 52.950 52.037 -0.057 0.000 0.755 86 A CB -0.560 18.414 19.000 -0.044 0.000 0.978 86 A HN 1.252 nan 8.150 nan 0.000 0.507 87 G N 1.470 110.248 108.800 -0.037 0.000 2.184 87 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.264 87 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.264 87 G C 0.270 175.153 174.900 -0.028 0.000 0.975 87 G CA 0.779 45.863 45.100 -0.026 0.000 0.642 87 G HN 0.750 nan 8.290 nan 0.000 0.536 88 K N 1.064 121.439 120.400 -0.041 0.000 2.164 88 K HA 0.554 4.874 4.320 -0.000 0.000 0.258 88 K C -2.264 174.311 176.600 -0.041 0.000 0.951 88 K CA -1.780 54.482 56.287 -0.042 0.000 0.844 88 K CB 2.207 34.669 32.500 -0.062 0.000 1.099 88 K HN 0.178 nan 8.250 nan 0.000 0.435 89 P HA 0.252 nan 4.420 nan 0.000 0.282 89 P C 0.504 177.781 177.300 -0.038 0.000 1.249 89 P CA 0.113 63.199 63.100 -0.023 0.000 0.806 89 P CB 0.960 32.657 31.700 -0.006 0.000 0.984 90 G N 1.080 109.855 108.800 -0.041 0.000 2.527 90 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.268 90 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.268 90 G C -0.250 174.587 174.900 -0.105 0.000 1.175 90 G CA 0.501 45.561 45.100 -0.066 0.000 0.962 90 G HN 0.990 nan 8.290 nan 0.000 0.560 91 V N -3.912 115.918 119.914 -0.140 0.000 3.112 91 V HA 0.963 5.083 4.120 -0.000 0.000 0.310 91 V C -0.610 175.391 176.094 -0.155 0.000 1.364 91 V CA -0.362 61.835 62.300 -0.172 0.000 1.058 91 V CB 1.889 33.564 31.823 -0.246 0.000 1.079 91 V HN 1.136 nan 8.190 nan 0.000 0.463 92 K N 0.661 120.965 120.400 -0.160 0.000 2.468 92 K HA 0.672 4.992 4.320 -0.000 0.000 0.252 92 K C -1.299 175.226 176.600 -0.125 0.000 0.932 92 K CA -0.503 55.718 56.287 -0.110 0.000 0.794 92 K CB 2.497 34.911 32.500 -0.143 0.000 1.241 92 K HN 1.024 nan 8.250 nan 0.000 0.428 93 E N 0.764 120.869 120.200 -0.157 0.000 2.433 93 E HA 0.834 5.184 4.350 -0.000 0.000 0.273 93 E C -0.394 175.873 176.600 -0.555 0.000 0.950 93 E CA -1.319 54.825 56.400 -0.425 0.000 0.796 93 E CB 2.306 31.923 29.700 -0.138 0.000 1.330 93 E HN 0.625 nan 8.360 nan 0.000 0.455 94 G N -0.038 108.161 108.800 -1.002 0.000 2.321 94 G HA2 0.386 4.346 3.960 -0.000 0.000 0.296 94 G HA3 0.386 4.346 3.960 -0.000 0.000 0.296 94 G C -1.826 172.836 174.900 -0.396 0.000 1.287 94 G CA -1.027 43.737 45.100 -0.561 0.000 0.846 94 G HN 0.400 nan 8.290 nan 0.000 0.508 95 L N -0.304 120.933 121.223 0.024 0.000 2.354 95 L HA 0.783 5.122 4.340 -0.000 0.000 0.269 95 L C -0.471 176.533 176.870 0.224 0.000 1.005 95 L CA -1.242 53.698 54.840 0.166 0.000 0.819 95 L CB 2.269 44.402 42.059 0.123 0.000 1.311 95 L HN 0.358 nan 8.230 nan 0.000 0.423 96 V N 0.605 120.648 119.914 0.215 0.000 2.495 96 V HA 0.199 4.318 4.120 -0.000 0.000 0.298 96 V C -0.811 175.337 176.094 0.089 0.000 1.031 96 V CA -0.511 61.868 62.300 0.132 0.000 0.871 96 V CB 2.042 33.932 31.823 0.112 0.000 0.988 96 V HN 0.729 nan 8.190 nan 0.000 0.432 97 D N 3.749 124.184 120.400 0.057 0.000 2.411 97 D HA 0.294 4.934 4.640 -0.000 0.000 0.225 97 D C 1.072 177.393 176.300 0.034 0.000 1.156 97 D CA -0.167 53.859 54.000 0.043 0.000 0.874 97 D CB 0.862 41.681 40.800 0.033 0.000 1.034 97 D HN 0.440 nan 8.370 nan 0.000 0.502 98 L N 3.280 124.524 121.223 0.036 0.000 2.081 98 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 98 L C 2.403 179.283 176.870 0.017 0.000 1.080 98 L CA 1.421 56.277 54.840 0.026 0.000 0.754 98 L CB -0.411 41.665 42.059 0.027 0.000 0.893 98 L HN 0.556 nan 8.230 nan 0.000 0.433 99 A N -0.322 122.507 122.820 0.015 0.000 1.933 99 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 99 A C 2.334 179.925 177.584 0.012 0.000 1.175 99 A CA 2.030 54.074 52.037 0.011 0.000 0.628 99 A CB -0.474 18.531 19.000 0.009 0.000 0.814 99 A HN 0.518 nan 8.150 nan 0.000 0.444 100 S N -1.462 114.247 115.700 0.015 0.000 2.554 100 S HA 0.420 4.890 4.470 -0.000 0.000 0.226 100 S C 0.445 175.054 174.600 0.016 0.000 0.980 100 S CA 0.064 58.273 58.200 0.015 0.000 0.939 100 S CB -0.552 62.658 63.200 0.017 0.000 0.832 100 S HN 0.565 nan 8.310 nan 0.000 0.486 101 L N 2.193 123.425 121.223 0.015 0.000 3.879 101 L HA -0.189 4.150 4.340 -0.000 0.000 0.481 101 L C -0.088 176.792 176.870 0.016 0.000 1.232 101 L CA 0.551 55.399 54.840 0.014 0.000 0.736 101 L CB -2.220 39.845 42.059 0.010 0.000 1.511 101 L HN 0.709 nan 8.230 nan 0.000 0.830 102 S N -2.151 113.559 115.700 0.017 0.000 2.541 102 S HA 0.695 5.164 4.470 -0.000 0.000 0.271 102 S C -0.384 174.214 174.600 -0.005 0.000 1.133 102 S CA -1.088 57.121 58.200 0.015 0.000 0.876 102 S CB 2.390 65.605 63.200 0.025 0.000 1.105 102 S HN -0.031 nan 8.310 nan 0.000 0.470 103 V N 3.347 123.224 119.914 -0.063 0.000 2.439 103 V HA 0.171 4.290 4.120 -0.000 0.000 0.271 103 V C 1.219 177.260 176.094 -0.088 0.000 1.040 103 V CA -0.081 62.130 62.300 -0.147 0.000 1.002 103 V CB 0.041 31.508 31.823 -0.593 0.000 1.000 103 V HN 0.897 nan 8.190 nan 0.000 0.477 104 I N 1.396 121.959 120.570 -0.013 0.000 3.956 104 I HA 0.532 4.702 4.170 -0.000 0.000 0.333 104 I C 0.497 176.620 176.117 0.010 0.000 1.302 104 I CA 0.267 61.571 61.300 0.007 0.000 1.122 104 I CB 0.404 38.420 38.000 0.027 0.000 1.013 104 I HN 0.644 nan 8.210 nan 0.000 0.405 105 E N 0.587 120.789 120.200 0.003 0.000 2.451 105 E HA 0.415 4.764 4.350 -0.000 0.000 0.295 105 E C -1.395 175.210 176.600 0.008 0.000 0.966 105 E CA -0.398 56.011 56.400 0.015 0.000 0.808 105 E CB 2.156 31.874 29.700 0.031 0.000 1.242 105 E HN 0.125 nan 8.360 nan 0.000 0.412 106 T N 2.717 117.285 114.554 0.025 0.000 2.885 106 T HA 0.666 5.016 4.350 -0.000 0.000 0.322 106 T C -1.983 172.770 174.700 0.088 0.000 1.387 106 T CA -0.644 61.493 62.100 0.061 0.000 1.041 106 T CB 1.072 70.017 68.868 0.129 0.000 1.287 106 T HN 0.654 nan 8.240 nan 0.000 0.491 107 R N 1.515 122.064 120.500 0.082 0.000 2.690 107 R HA 0.809 5.149 4.340 -0.000 0.000 0.269 107 R C -1.905 174.426 176.300 0.053 0.000 1.037 107 R CA -1.100 55.046 56.100 0.076 0.000 0.877 107 R CB 0.954 31.285 30.300 0.052 0.000 1.255 107 R HN 0.720 nan 8.270 nan 0.000 0.467 108 A N 2.358 125.206 122.820 0.047 0.000 2.304 108 A HA 0.643 4.962 4.320 -0.000 0.000 0.323 108 A C -1.160 176.422 177.584 -0.004 0.000 1.195 108 A CA -0.760 51.284 52.037 0.012 0.000 0.826 108 A CB 1.050 20.064 19.000 0.023 0.000 1.184 108 A HN 0.393 nan 8.150 nan 0.000 0.496 109 L N 2.932 124.132 121.223 -0.038 0.000 2.356 109 L HA 0.349 4.689 4.340 -0.000 0.000 0.264 109 L C 0.935 177.775 176.870 -0.049 0.000 1.029 109 L CA 0.231 55.047 54.840 -0.040 0.000 0.897 109 L CB 0.421 42.438 42.059 -0.069 0.000 1.256 109 L HN 0.906 nan 8.230 nan 0.000 0.444 110 E N 0.451 120.638 120.200 -0.021 0.000 2.427 110 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 110 E C 0.453 177.052 176.600 -0.001 0.000 1.028 110 E CA 0.943 57.334 56.400 -0.015 0.000 0.864 110 E CB 0.343 30.043 29.700 -0.002 0.000 0.813 110 E HN 0.638 nan 8.360 nan 0.000 0.514 111 T N -1.501 113.058 114.554 0.009 0.000 3.308 111 T HA 0.425 4.775 4.350 -0.000 0.000 0.270 111 T C -0.168 174.560 174.700 0.047 0.000 0.992 111 T CA -0.434 61.688 62.100 0.037 0.000 0.931 111 T CB 0.309 69.206 68.868 0.050 0.000 1.142 111 T HN -0.160 nan 8.240 nan 0.000 0.525 112 V N 0.637 120.559 119.914 0.014 0.000 3.130 112 V HA 0.652 4.771 4.120 -0.000 0.000 0.310 112 V C -1.695 174.394 176.094 -0.008 0.000 1.158 112 V CA -0.765 61.545 62.300 0.016 0.000 1.029 112 V CB 2.518 34.322 31.823 -0.031 0.000 1.057 112 V HN 0.377 nan 8.190 nan 0.000 0.436 113 Q N 3.690 123.511 119.800 0.036 0.000 2.347 113 Q HA 0.559 4.899 4.340 -0.000 0.000 0.271 113 Q C -2.719 173.315 176.000 0.058 0.000 1.064 113 Q CA -1.805 54.014 55.803 0.026 0.000 0.800 113 Q CB 2.681 31.458 28.738 0.064 0.000 1.304 113 Q HN 0.489 nan 8.270 nan 0.000 0.438 114 P HA 0.340 nan 4.420 nan 0.000 0.287 114 P C 0.008 177.377 177.300 0.114 0.000 1.296 114 P CA -0.790 62.394 63.100 0.140 0.000 0.811 114 P CB 1.259 33.012 31.700 0.089 0.000 1.211 115 I N 0.102 120.760 120.570 0.147 0.000 2.880 115 I HA -0.077 4.093 4.170 -0.000 0.000 0.296 115 I C -0.045 176.146 176.117 0.124 0.000 1.220 115 I CA -0.007 61.360 61.300 0.111 0.000 1.435 115 I CB 0.041 38.157 38.000 0.194 0.000 1.339 115 I HN 0.114 nan 8.210 nan 0.000 0.583 116 L N 7.650 128.939 121.223 0.109 0.000 2.283 116 L HA 0.213 4.553 4.340 -0.000 0.000 0.287 116 L C 0.681 177.643 176.870 0.153 0.000 1.073 116 L CA -0.415 54.511 54.840 0.144 0.000 0.822 116 L CB 0.738 42.922 42.059 0.208 0.000 1.186 116 L HN 0.663 nan 8.230 nan 0.000 0.436 117 T N -0.686 113.883 114.554 0.024 0.000 2.813 117 T HA 0.102 4.452 4.350 -0.000 0.000 0.297 117 T C 1.450 176.081 174.700 -0.116 0.000 1.036 117 T CA -0.266 61.715 62.100 -0.198 0.000 1.044 117 T CB 1.468 70.152 68.868 -0.306 0.000 0.993 117 T HN 0.388 nan 8.240 nan 0.000 0.535 118 V N -0.366 119.439 119.914 -0.182 0.000 2.720 118 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 118 V C 2.132 178.204 176.094 -0.035 0.000 1.082 118 V CA 1.773 64.034 62.300 -0.064 0.000 1.101 118 V CB -1.132 30.668 31.823 -0.038 0.000 0.693 118 V HN 0.950 nan 8.190 nan 0.000 0.479 119 E N 1.146 121.310 120.200 -0.061 0.000 2.072 119 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 119 E C 1.812 178.410 176.600 -0.004 0.000 0.982 119 E CA 1.571 57.956 56.400 -0.024 0.000 0.803 119 E CB -0.141 29.543 29.700 -0.028 0.000 0.755 119 E HN 0.911 nan 8.360 nan 0.000 0.453 120 D N 0.205 120.603 120.400 -0.003 0.000 2.317 120 D HA -0.096 4.543 4.640 -0.000 0.000 0.211 120 D C 1.675 177.998 176.300 0.039 0.000 0.966 120 D CA 0.532 54.543 54.000 0.018 0.000 0.876 120 D CB -0.074 40.740 40.800 0.023 0.000 0.927 120 D HN 0.159 nan 8.370 nan 0.000 0.519 121 L N -0.236 121.013 121.223 0.043 0.000 2.249 121 L HA 0.026 4.366 4.340 -0.000 0.000 0.207 121 L C 1.728 178.631 176.870 0.056 0.000 1.090 121 L CA 0.320 55.198 54.840 0.064 0.000 0.802 121 L CB -0.041 42.056 42.059 0.062 0.000 0.947 121 L HN 0.154 nan 8.230 nan 0.000 0.453 122 C N -0.284 119.040 119.300 0.040 0.000 2.432 122 C HA -0.097 4.363 4.460 -0.000 0.000 0.282 122 C C 3.028 178.042 174.990 0.040 0.000 1.388 122 C CA 1.162 60.206 59.018 0.042 0.000 1.777 122 C CB -0.814 26.947 27.740 0.034 0.000 1.882 122 C HN 0.637 nan 8.230 nan 0.000 0.520 123 S N -0.251 115.469 115.700 0.034 0.000 2.436 123 S HA -0.116 4.353 4.470 -0.000 0.000 0.228 123 S C 1.528 176.146 174.600 0.031 0.000 1.014 123 S CA 1.498 59.714 58.200 0.027 0.000 0.950 123 S CB -0.837 62.375 63.200 0.020 0.000 0.784 123 S HN 0.596 nan 8.310 nan 0.000 0.504 124 T N 2.518 117.098 114.554 0.043 0.000 2.685 124 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 124 T C 1.666 176.395 174.700 0.049 0.000 1.034 124 T CA 1.901 64.031 62.100 0.049 0.000 1.149 124 T CB -0.424 68.487 68.868 0.071 0.000 0.860 124 T HN 0.641 nan 8.240 nan 0.000 0.449 125 E N 0.200 120.431 120.200 0.052 0.000 2.077 125 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 125 E C 2.269 178.875 176.600 0.009 0.000 0.989 125 E CA 1.015 57.439 56.400 0.039 0.000 0.800 125 E CB 0.013 29.736 29.700 0.039 0.000 0.746 125 E HN 0.271 nan 8.360 nan 0.000 0.452 126 E N -0.152 120.052 120.200 0.006 0.000 2.106 126 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 126 E C 2.034 178.637 176.600 0.006 0.000 0.984 126 E CA 0.978 57.376 56.400 -0.003 0.000 0.806 126 E CB -0.099 29.600 29.700 -0.001 0.000 0.750 126 E HN 0.283 nan 8.360 nan 0.000 0.458 127 V N 0.667 120.589 119.914 0.013 0.000 2.427 127 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 127 V C 2.134 178.240 176.094 0.019 0.000 1.051 127 V CA 1.825 64.133 62.300 0.013 0.000 1.048 127 V CB -0.662 31.168 31.823 0.012 0.000 0.666 127 V HN 0.435 nan 8.190 nan 0.000 0.456 128 I N -1.537 119.052 120.570 0.031 0.000 2.546 128 I HA -0.034 4.136 4.170 -0.000 0.000 0.255 128 I C 2.677 178.821 176.117 0.045 0.000 1.163 128 I CA 1.399 62.727 61.300 0.048 0.000 1.457 128 I CB -0.645 37.400 38.000 0.075 0.000 1.092 128 I HN 0.124 nan 8.210 nan 0.000 0.434 129 R N 1.200 121.716 120.500 0.027 0.000 2.115 129 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 129 R C 1.352 177.662 176.300 0.016 0.000 1.111 129 R CA 1.401 57.511 56.100 0.017 0.000 0.976 129 R CB -0.208 30.085 30.300 -0.011 0.000 0.870 129 R HN 0.502 nan 8.270 nan 0.000 0.445 130 N N 0.596 119.303 118.700 0.011 0.000 2.280 130 N HA -0.053 4.687 4.740 -0.000 0.000 0.192 130 N C -0.646 174.866 175.510 0.003 0.000 1.109 130 N CA 0.286 53.340 53.050 0.006 0.000 0.855 130 N CB 0.277 38.766 38.487 0.003 0.000 0.974 130 N HN 0.216 nan 8.380 nan 0.000 0.482 131 D N 0.853 121.256 120.400 0.006 0.000 2.277 131 D HA 0.157 4.797 4.640 -0.000 0.000 0.249 131 D C -1.561 174.729 176.300 -0.016 0.000 1.134 131 D CA -1.934 52.064 54.000 -0.004 0.000 0.863 131 D CB 1.906 42.707 40.800 0.001 0.000 1.143 131 D HN -0.104 nan 8.370 nan 0.000 0.458 132 P HA -0.183 nan 4.420 nan 0.000 0.216 132 P C 0.845 178.109 177.300 -0.060 0.000 1.153 132 P CA 1.276 64.355 63.100 -0.036 0.000 0.858 132 P CB 0.115 31.796 31.700 -0.033 0.000 0.789 133 A N -0.614 122.164 122.820 -0.070 0.000 1.877 133 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 133 A C 2.371 179.865 177.584 -0.151 0.000 1.186 133 A CA 1.901 53.871 52.037 -0.111 0.000 0.620 133 A CB -1.708 17.226 19.000 -0.110 0.000 0.822 133 A HN 0.028 nan 8.150 nan 0.000 0.443 134 V N 0.252 120.105 119.914 -0.101 0.000 2.332 134 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 134 V C 2.430 178.460 176.094 -0.107 0.000 1.055 134 V CA 2.141 64.385 62.300 -0.093 0.000 1.038 134 V CB -0.731 31.123 31.823 0.052 0.000 0.651 134 V HN 0.573 nan 8.190 nan 0.000 0.450 135 I N -0.041 120.495 120.570 -0.056 0.000 2.286 135 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 135 I C 2.585 178.655 176.117 -0.078 0.000 1.115 135 I CA 1.968 63.245 61.300 -0.038 0.000 1.392 135 I CB -0.349 37.638 38.000 -0.021 0.000 1.065 135 I HN 0.417 nan 8.210 nan 0.000 0.418 136 E N 0.463 120.594 120.200 -0.114 0.000 2.106 136 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 136 E C 2.154 178.641 176.600 -0.188 0.000 0.984 136 E CA 0.955 57.279 56.400 -0.127 0.000 0.806 136 E CB 0.161 29.786 29.700 -0.125 0.000 0.750 136 E HN 0.410 nan 8.360 nan 0.000 0.458 137 Q N -0.047 119.556 119.800 -0.329 0.000 2.172 137 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 137 Q C 2.340 178.143 176.000 -0.328 0.000 0.964 137 Q CA 1.016 56.491 55.803 -0.547 0.000 0.855 137 Q CB -0.566 27.381 28.738 -1.318 0.000 0.918 137 Q HN 0.426 nan 8.270 nan 0.000 0.444 138 C N -0.268 118.938 119.300 -0.156 0.000 2.446 138 C HA -0.055 4.405 4.460 -0.000 0.000 0.277 138 C C 2.839 177.823 174.990 -0.009 0.000 1.275 138 C CA 0.408 59.451 59.018 0.041 0.000 1.727 138 C CB -0.915 26.876 27.740 0.086 0.000 2.010 138 C HN 0.247 nan 8.230 nan 0.000 0.486 139 V N 0.666 120.554 119.914 -0.042 0.000 2.343 139 V HA -0.195 3.924 4.120 -0.000 0.000 0.247 139 V C 2.423 178.491 176.094 -0.043 0.000 1.051 139 V CA 1.565 63.842 62.300 -0.038 0.000 1.036 139 V CB -0.696 31.102 31.823 -0.041 0.000 0.654 139 V HN 0.390 nan 8.190 nan 0.000 0.451 140 L N 0.177 121.362 121.223 -0.063 0.000 2.079 140 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 140 L C 2.421 179.274 176.870 -0.028 0.000 1.081 140 L CA 1.862 56.669 54.840 -0.056 0.000 0.752 140 L CB -1.158 40.848 42.059 -0.087 0.000 0.896 140 L HN 0.307 nan 8.230 nan 0.000 0.433 141 S N -0.701 114.994 115.700 -0.008 0.000 2.607 141 S HA 0.194 4.664 4.470 -0.000 0.000 0.224 141 S C 1.390 175.978 174.600 -0.020 0.000 0.969 141 S CA 0.707 58.922 58.200 0.026 0.000 0.927 141 S CB -0.163 63.111 63.200 0.123 0.000 0.772 141 S HN 0.676 nan 8.310 nan 0.000 0.533 142 G N 1.097 109.874 108.800 -0.037 0.000 2.134 142 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.209 142 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.209 142 G C -0.114 174.730 174.900 -0.093 0.000 0.993 142 G CA -0.408 44.656 45.100 -0.059 0.000 0.669 142 G HN 0.479 nan 8.290 nan 0.000 0.519 143 I N 1.579 122.101 120.570 -0.080 0.000 2.382 143 I HA 0.334 4.504 4.170 -0.000 0.000 0.285 143 I C -2.198 173.905 176.117 -0.023 0.000 1.007 143 I CA -2.557 58.690 61.300 -0.087 0.000 1.142 143 I CB 2.100 40.040 38.000 -0.100 0.000 1.289 143 I HN -0.182 nan 8.210 nan 0.000 0.453 144 P HA -0.042 nan 4.420 nan 0.000 0.265 144 P C 0.584 177.897 177.300 0.022 0.000 1.187 144 P CA 0.077 63.182 63.100 0.009 0.000 0.766 144 P CB 0.831 32.544 31.700 0.022 0.000 0.820 145 A N 3.641 126.470 122.820 0.015 0.000 2.131 145 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 145 A C 1.518 179.125 177.584 0.039 0.000 1.158 145 A CA 1.698 53.746 52.037 0.020 0.000 0.665 145 A CB -1.282 17.721 19.000 0.006 0.000 0.795 145 A HN 0.800 nan 8.150 nan 0.000 0.460 146 N N -1.473 117.257 118.700 0.049 0.000 2.322 146 N HA 0.042 4.782 4.740 -0.000 0.000 0.194 146 N C 0.502 176.091 175.510 0.132 0.000 1.126 146 N CA 0.299 53.394 53.050 0.075 0.000 0.845 146 N CB 0.099 38.622 38.487 0.061 0.000 0.976 146 N HN 0.516 nan 8.380 nan 0.000 0.475 147 E N -0.023 120.238 120.200 0.102 0.000 2.651 147 E HA 0.207 4.557 4.350 -0.000 0.000 0.208 147 E C 0.793 177.386 176.600 -0.013 0.000 0.997 147 E CA -0.321 56.120 56.400 0.069 0.000 1.020 147 E CB 0.362 30.096 29.700 0.056 0.000 1.052 147 E HN 0.286 nan 8.360 nan 0.000 0.465 148 M N 0.706 120.340 119.600 0.057 0.000 2.539 148 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 148 M C 1.830 178.118 176.300 -0.019 0.000 1.069 148 M CA 1.323 56.643 55.300 0.034 0.000 1.081 148 M CB -0.964 31.664 32.600 0.046 0.000 1.412 148 M HN 0.372 nan 8.290 nan 0.000 0.482 149 H N -0.982 118.074 119.070 -0.024 0.000 2.555 149 H HA 0.054 4.610 4.556 -0.000 0.000 0.269 149 H C 0.887 176.138 175.328 -0.128 0.000 0.988 149 H CA 0.639 56.630 56.048 -0.095 0.000 1.178 149 H CB -0.230 29.499 29.762 -0.055 0.000 1.373 149 H HN 0.361 nan 8.280 nan 0.000 0.588 150 K N 0.907 121.037 120.400 -0.450 0.000 2.358 150 K HA 0.221 4.541 4.320 -0.000 0.000 0.197 150 K C -0.007 176.625 176.600 0.053 0.000 1.025 150 K CA -0.085 56.061 56.287 -0.234 0.000 1.104 150 K CB 1.414 33.745 32.500 -0.282 0.000 0.855 150 K HN -0.008 nan 8.250 nan 0.000 0.531 151 V N 2.336 122.250 119.914 -0.001 0.000 2.407 151 V HA 0.209 4.329 4.120 -0.000 0.000 0.278 151 V C -0.723 175.345 176.094 -0.043 0.000 1.037 151 V CA -0.465 61.919 62.300 0.140 0.000 0.900 151 V CB 0.185 32.083 31.823 0.125 0.000 0.983 151 V HN 0.047 nan 8.190 nan 0.000 0.459 152 Y N 3.139 123.484 120.300 0.075 0.000 2.659 152 Y HA 0.802 5.352 4.550 -0.000 0.000 0.333 152 Y C 0.276 176.240 175.900 0.107 0.000 1.064 152 Y CA -1.031 57.111 58.100 0.070 0.000 1.141 152 Y CB 1.984 40.464 38.460 0.034 0.000 1.316 152 Y HN 0.824 nan 8.280 nan 0.000 0.509 153 C N -0.883 118.593 119.300 0.293 0.000 3.181 153 C HA 0.599 5.059 4.460 -0.000 0.000 0.362 153 C C -1.856 173.301 174.990 0.278 0.000 1.125 153 C CA -0.962 58.204 59.018 0.245 0.000 1.265 153 C CB 1.219 29.035 27.740 0.127 0.000 1.632 153 C HN 0.758 nan 8.230 nan 0.000 0.525 154 D N 4.705 125.319 120.400 0.356 0.000 2.274 154 D HA 0.529 5.169 4.640 -0.000 0.000 0.239 154 D C -2.318 174.238 176.300 0.426 0.000 1.104 154 D CA -1.095 53.147 54.000 0.404 0.000 0.840 154 D CB 1.907 43.063 40.800 0.594 0.000 1.100 154 D HN 0.574 nan 8.370 nan 0.000 0.477 155 P HA 0.241 nan 4.420 nan 0.000 0.287 155 P C -0.839 176.712 177.300 0.419 0.000 1.294 155 P CA -0.505 62.776 63.100 0.302 0.000 0.776 155 P CB 0.505 32.313 31.700 0.180 0.000 0.889 156 W N 1.273 122.645 121.300 0.120 0.000 2.762 156 W HA 0.390 5.050 4.660 -0.000 0.000 0.355 156 W C 0.354 176.987 176.519 0.191 0.000 1.124 156 W CA -0.324 57.146 57.345 0.209 0.000 1.141 156 W CB 0.435 29.985 29.460 0.149 0.000 1.432 156 W HN 0.142 nan 8.180 nan 0.000 0.586 157 T N 1.294 116.127 114.554 0.465 0.000 2.860 157 T HA 0.062 4.412 4.350 -0.000 0.000 0.299 157 T C 1.002 175.821 174.700 0.197 0.000 1.045 157 T CA -0.492 61.736 62.100 0.213 0.000 1.071 157 T CB 0.825 69.727 68.868 0.056 0.000 0.985 157 T HN 0.463 nan 8.240 nan 0.000 0.537 158 I N 0.591 121.225 120.570 0.106 0.000 3.001 158 I HA 0.097 4.267 4.170 -0.000 0.000 0.268 158 I C 1.676 177.821 176.117 0.047 0.000 1.267 158 I CA 1.487 62.824 61.300 0.061 0.000 1.472 158 I CB -0.822 37.197 38.000 0.031 0.000 1.089 158 I HN 1.063 nan 8.210 nan 0.000 0.468 159 G N 0.428 109.260 108.800 0.053 0.000 5.356 159 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.309 159 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.309 159 G C 0.017 175.013 174.900 0.159 0.000 1.451 159 G CA 0.437 45.522 45.100 -0.025 0.000 0.978 159 G HN 0.477 nan 8.290 nan 0.000 0.771 160 Y N 1.723 122.050 120.300 0.045 0.000 2.357 160 Y HA 0.556 5.106 4.550 -0.000 0.000 0.319 160 Y C -2.283 173.669 175.900 0.087 0.000 1.225 160 Y CA -0.558 57.594 58.100 0.087 0.000 1.095 160 Y CB 1.948 40.462 38.460 0.092 0.000 1.302 160 Y HN 0.462 nan 8.280 nan 0.000 0.429 161 D N 5.549 125.537 120.400 -0.687 0.000 2.575 161 D HA 0.134 4.774 4.640 -0.000 0.000 0.250 161 D C 0.579 176.441 176.300 -0.729 0.000 1.279 161 D CA -0.244 53.486 54.000 -0.451 0.000 0.925 161 D CB 1.459 42.258 40.800 -0.001 0.000 1.261 161 D HN 0.830 nan 8.370 nan 0.000 0.567 162 E N 3.709 123.524 120.200 -0.642 0.000 2.396 162 E HA -0.181 4.169 4.350 -0.000 0.000 0.200 162 E C 0.851 177.237 176.600 -0.357 0.000 1.023 162 E CA 0.581 56.744 56.400 -0.395 0.000 0.857 162 E CB 0.009 29.645 29.700 -0.107 0.000 0.775 162 E HN 0.473 nan 8.360 nan 0.000 0.525 163 R N -0.729 119.460 120.500 -0.517 0.000 2.148 163 R HA 0.018 4.357 4.340 -0.000 0.000 0.223 163 R C 1.326 177.053 176.300 -0.954 0.000 1.088 163 R CA 1.300 56.875 56.100 -0.875 0.000 0.985 163 R CB 0.049 29.462 30.300 -1.478 0.000 0.880 163 R HN 0.345 nan 8.270 nan 0.000 0.451 164 W N -0.720 120.474 121.300 -0.177 0.000 2.661 164 W HA 0.304 4.964 4.660 -0.000 0.000 0.288 164 W C 1.032 177.505 176.519 -0.077 0.000 1.014 164 W CA 0.471 57.748 57.345 -0.113 0.000 1.396 164 W CB -0.040 29.359 29.460 -0.101 0.000 0.963 164 W HN 0.209 nan 8.180 nan 0.000 0.584 165 G N 2.076 110.903 108.800 0.045 0.000 2.611 165 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.301 165 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.301 165 G C 0.731 175.748 174.900 0.195 0.000 1.233 165 G CA 2.095 47.283 45.100 0.148 0.000 0.993 165 G HN 0.149 nan 8.290 nan 0.000 0.553 166 T N -1.834 112.836 114.554 0.192 0.000 3.176 166 T HA 0.508 4.858 4.350 -0.000 0.000 0.263 166 T C 2.001 176.768 174.700 0.112 0.000 1.021 166 T CA 1.031 63.225 62.100 0.157 0.000 0.905 166 T CB 0.704 69.666 68.868 0.156 0.000 1.057 166 T HN 1.577 nan 8.240 nan 0.000 0.558 167 G N 1.557 110.431 108.800 0.123 0.000 2.471 167 G HA2 0.071 4.030 3.960 -0.000 0.000 0.219 167 G HA3 0.071 4.030 3.960 -0.000 0.000 0.219 167 G C 0.385 175.330 174.900 0.076 0.000 1.125 167 G CA 0.101 45.262 45.100 0.101 0.000 0.775 167 G HN 0.503 nan 8.290 nan 0.000 0.548 168 K N -0.747 119.694 120.400 0.067 0.000 2.498 168 K HA 0.377 4.697 4.320 -0.000 0.000 0.254 168 K C -0.932 175.663 176.600 -0.008 0.000 0.933 168 K CA -0.915 55.373 56.287 0.002 0.000 0.806 168 K CB 2.423 34.882 32.500 -0.070 0.000 1.301 168 K HN -0.005 nan 8.250 nan 0.000 0.432 169 R N 3.166 123.654 120.500 -0.020 0.000 2.248 169 R HA 0.201 4.540 4.340 -0.000 0.000 0.337 169 R C -0.959 175.318 176.300 -0.038 0.000 1.085 169 R CA -0.311 55.783 56.100 -0.010 0.000 0.934 169 R CB 0.159 30.454 30.300 -0.008 0.000 1.034 169 R HN 0.280 nan 8.270 nan 0.000 0.465 170 L N 2.968 124.170 121.223 -0.035 0.000 2.319 170 L HA 0.513 4.853 4.340 -0.000 0.000 0.267 170 L C -0.181 176.684 176.870 -0.008 0.000 1.011 170 L CA -0.650 54.147 54.840 -0.072 0.000 0.818 170 L CB 1.882 43.851 42.059 -0.150 0.000 1.316 170 L HN 0.685 nan 8.230 nan 0.000 0.432 171 Q N 0.570 120.365 119.800 -0.008 0.000 2.456 171 Q HA 0.591 4.931 4.340 -0.000 0.000 0.283 171 Q C -1.415 174.610 176.000 0.041 0.000 1.084 171 Q CA -0.818 55.023 55.803 0.063 0.000 0.801 171 Q CB 3.336 32.127 28.738 0.089 0.000 1.434 171 Q HN 0.621 nan 8.270 nan 0.000 0.419 172 Q N -0.066 119.784 119.800 0.084 0.000 2.365 172 Q HA 0.833 5.173 4.340 -0.000 0.000 0.269 172 Q C -1.529 174.494 176.000 0.039 0.000 1.061 172 Q CA -1.052 54.765 55.803 0.023 0.000 0.816 172 Q CB 2.058 30.774 28.738 -0.036 0.000 1.325 172 Q HN 0.522 nan 8.270 nan 0.000 0.446 173 A N 4.248 127.070 122.820 0.003 0.000 2.258 173 A HA 0.484 4.803 4.320 -0.000 0.000 0.316 173 A C -0.434 177.095 177.584 -0.093 0.000 1.279 173 A CA -0.834 51.212 52.037 0.014 0.000 0.876 173 A CB 0.487 19.513 19.000 0.044 0.000 1.170 173 A HN 0.797 nan 8.150 nan 0.000 0.520 174 L N 3.953 125.108 121.223 -0.112 0.000 2.325 174 L HA 0.232 4.572 4.340 -0.000 0.000 0.284 174 L C -0.345 176.380 176.870 -0.242 0.000 1.089 174 L CA -0.512 54.188 54.840 -0.233 0.000 0.836 174 L CB 0.716 42.654 42.059 -0.201 0.000 1.184 174 L HN 0.413 nan 8.230 nan 0.000 0.444 175 V N 4.339 123.991 119.914 -0.436 0.000 2.530 175 V HA 0.262 4.382 4.120 -0.000 0.000 0.282 175 V C -0.327 175.384 176.094 -0.639 0.000 1.048 175 V CA -0.155 61.894 62.300 -0.418 0.000 0.997 175 V CB 0.662 32.154 31.823 -0.553 0.000 0.987 175 V HN 0.427 nan 8.190 nan 0.000 0.477 176 Y N 2.955 123.261 120.300 0.011 0.000 2.665 176 Y HA 0.658 5.208 4.550 -0.000 0.000 0.336 176 Y C -0.750 175.276 175.900 0.211 0.000 1.085 176 Y CA -1.068 57.068 58.100 0.061 0.000 1.096 176 Y CB 1.993 40.416 38.460 -0.061 0.000 1.301 176 Y HN 0.587 nan 8.280 nan 0.000 0.493 177 Y N 0.995 121.470 120.300 0.291 0.000 2.421 177 Y HA 0.653 5.203 4.550 -0.000 0.000 0.339 177 Y C -1.335 174.710 175.900 0.243 0.000 0.996 177 Y CA -1.236 57.012 58.100 0.246 0.000 1.046 177 Y CB 1.356 39.931 38.460 0.193 0.000 1.226 177 Y HN 0.554 nan 8.280 nan 0.000 0.445 178 R N 3.269 123.388 120.500 -0.635 0.000 2.387 178 R HA 0.324 4.663 4.340 -0.000 0.000 0.314 178 R C 0.433 176.053 176.300 -1.134 0.000 0.958 178 R CA -0.086 55.525 56.100 -0.814 0.000 0.846 178 R CB 1.704 31.613 30.300 -0.651 0.000 1.147 178 R HN 0.889 nan 8.270 nan 0.000 0.447 179 S N 0.168 115.244 115.700 -1.039 0.000 2.527 179 S HA -0.039 4.430 4.470 -0.000 0.000 0.222 179 S C 0.285 174.667 174.600 -0.364 0.000 0.985 179 S CA 0.223 58.091 58.200 -0.554 0.000 0.921 179 S CB -0.027 63.054 63.200 -0.199 0.000 0.772 179 S HN 0.706 nan 8.310 nan 0.000 0.529 180 D N 0.274 120.413 120.400 -0.435 0.000 2.927 180 D HA 0.189 4.828 4.640 -0.000 0.000 0.219 180 D C 0.667 176.802 176.300 -0.276 0.000 1.248 180 D CA -0.554 53.291 54.000 -0.257 0.000 0.861 180 D CB 1.329 42.009 40.800 -0.199 0.000 1.677 180 D HN 0.100 nan 8.370 nan 0.000 0.511 181 E N 1.661 121.770 120.200 -0.151 0.000 2.273 181 E HA -0.238 4.111 4.350 -0.000 0.000 0.198 181 E C 0.196 176.670 176.600 -0.210 0.000 1.002 181 E CA 1.054 57.373 56.400 -0.135 0.000 0.828 181 E CB -0.007 29.683 29.700 -0.016 0.000 0.747 181 E HN 0.380 nan 8.360 nan 0.000 0.491 182 D N 1.058 121.337 120.400 -0.203 0.000 2.340 182 D HA 0.041 4.680 4.640 -0.000 0.000 0.220 182 D C -0.253 175.905 176.300 -0.237 0.000 1.039 182 D CA 0.228 54.101 54.000 -0.213 0.000 0.866 182 D CB -0.096 40.597 40.800 -0.179 0.000 0.913 182 D HN 0.148 nan 8.370 nan 0.000 0.523 183 D N -0.156 120.040 120.400 -0.341 0.000 2.360 183 D HA 0.031 4.671 4.640 -0.000 0.000 0.242 183 D C 0.041 176.122 176.300 -0.365 0.000 1.184 183 D CA 0.240 53.974 54.000 -0.444 0.000 0.930 183 D CB 0.835 41.217 40.800 -0.696 0.000 1.161 183 D HN -0.231 nan 8.370 nan 0.000 0.447 184 S N 0.104 115.631 115.700 -0.288 0.000 2.420 184 S HA 0.053 4.523 4.470 -0.000 0.000 0.313 184 S C 1.134 175.718 174.600 -0.027 0.000 1.079 184 S CA -0.675 57.451 58.200 -0.122 0.000 1.104 184 S CB 0.508 63.693 63.200 -0.026 0.000 0.969 184 S HN 0.379 nan 8.310 nan 0.000 0.471 185 Q N 4.176 123.837 119.800 -0.232 0.000 2.291 185 Q HA -0.165 4.174 4.340 -0.000 0.000 0.206 185 Q C 0.367 176.251 176.000 -0.194 0.000 0.976 185 Q CA 1.597 57.263 55.803 -0.228 0.000 0.875 185 Q CB -0.577 27.871 28.738 -0.484 0.000 0.927 185 Q HN 0.890 nan 8.270 nan 0.000 0.450 186 Y N 2.109 122.355 120.300 -0.090 0.000 2.569 186 Y HA -0.115 4.435 4.550 -0.000 0.000 0.293 186 Y C 2.508 178.577 175.900 0.282 0.000 1.144 186 Y CA 1.206 59.281 58.100 -0.041 0.000 1.321 186 Y CB -0.084 38.364 38.460 -0.021 0.000 0.982 186 Y HN 0.366 nan 8.280 nan 0.000 0.558 187 S N -1.952 113.981 115.700 0.388 0.000 2.528 187 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 187 S C 0.174 174.826 174.600 0.085 0.000 0.985 187 S CA 0.189 58.580 58.200 0.319 0.000 0.914 187 S CB -0.342 62.950 63.200 0.152 0.000 0.776 187 S HN 0.445 nan 8.310 nan 0.000 0.526 188 H N 2.414 121.551 119.070 0.111 0.000 2.336 188 H HA 0.463 5.019 4.556 -0.000 0.000 0.230 188 H C -2.797 172.673 175.328 0.238 0.000 1.426 188 H CA -1.790 54.337 56.048 0.132 0.000 1.359 188 H CB 0.716 30.538 29.762 0.101 0.000 1.555 188 H HN 0.357 nan 8.280 nan 0.000 0.512 189 P HA 0.105 nan 4.420 nan 0.000 0.276 189 P C -0.102 177.078 177.300 -0.200 0.000 1.244 189 P CA -0.317 62.737 63.100 -0.076 0.000 0.801 189 P CB 1.954 33.582 31.700 -0.120 0.000 1.006 190 L N 1.327 122.339 121.223 -0.350 0.000 2.365 190 L HA 0.270 4.610 4.340 -0.000 0.000 0.267 190 L C 1.618 178.288 176.870 -0.333 0.000 1.033 190 L CA -0.482 54.176 54.840 -0.304 0.000 0.802 190 L CB 1.099 42.914 42.059 -0.406 0.000 1.267 190 L HN 0.391 nan 8.230 nan 0.000 0.457 191 D N -0.475 119.841 120.400 -0.139 0.000 2.349 191 D HA -0.036 4.603 4.640 -0.000 0.000 0.215 191 D C 0.130 176.567 176.300 0.228 0.000 1.016 191 D CA 0.208 54.229 54.000 0.035 0.000 0.870 191 D CB -0.054 40.804 40.800 0.096 0.000 0.917 191 D HN 0.213 nan 8.370 nan 0.000 0.524 192 F N -0.628 119.372 119.950 0.083 0.000 2.509 192 F HA 0.614 5.141 4.527 -0.000 0.000 0.334 192 F C -0.504 175.319 175.800 0.038 0.000 1.060 192 F CA -2.131 55.910 58.000 0.067 0.000 0.997 192 F CB 1.155 40.172 39.000 0.030 0.000 1.271 192 F HN -0.129 nan 8.300 nan 0.000 0.488 193 C N 3.741 123.159 119.300 0.198 0.000 2.534 193 C HA 0.588 5.048 4.460 -0.000 0.000 0.309 193 C C -2.823 172.265 174.990 0.163 0.000 1.072 193 C CA -2.081 56.973 59.018 0.059 0.000 1.441 193 C CB 0.004 27.718 27.740 -0.043 0.000 1.906 193 C HN 0.654 nan 8.230 nan 0.000 0.429 194 P HA 0.284 nan 4.420 nan 0.000 0.271 194 P C -0.599 176.754 177.300 0.088 0.000 1.216 194 P CA 0.027 63.223 63.100 0.160 0.000 0.771 194 P CB 0.396 32.195 31.700 0.165 0.000 0.864 195 I N 3.756 124.375 120.570 0.081 0.000 2.354 195 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 195 I C 0.016 176.092 176.117 -0.069 0.000 0.989 195 I CA -0.671 60.615 61.300 -0.024 0.000 1.188 195 I CB 1.311 39.241 38.000 -0.117 0.000 1.342 195 I HN 0.047 nan 8.210 nan 0.000 0.457 196 V N 5.104 124.971 119.914 -0.077 0.000 2.495 196 V HA 0.262 4.381 4.120 -0.000 0.000 0.298 196 V C -0.044 175.990 176.094 -0.100 0.000 1.031 196 V CA -0.792 61.469 62.300 -0.066 0.000 0.871 196 V CB 2.264 34.080 31.823 -0.011 0.000 0.988 196 V HN 0.634 nan 8.190 nan 0.000 0.432 197 D N 3.276 123.614 120.400 -0.104 0.000 2.352 197 D HA 0.110 4.750 4.640 -0.000 0.000 0.245 197 D C 1.225 177.494 176.300 -0.052 0.000 1.224 197 D CA 0.207 54.146 54.000 -0.101 0.000 0.879 197 D CB 1.710 42.452 40.800 -0.096 0.000 1.057 197 D HN 0.613 nan 8.370 nan 0.000 0.491 198 T N 3.367 117.898 114.554 -0.038 0.000 2.607 198 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 198 T C 1.557 176.247 174.700 -0.015 0.000 1.049 198 T CA 1.150 63.242 62.100 -0.013 0.000 1.162 198 T CB -0.029 68.839 68.868 -0.000 0.000 0.863 198 T HN 0.554 nan 8.240 nan 0.000 0.424 199 E N 0.495 120.682 120.200 -0.023 0.000 2.031 199 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 199 E C 2.219 178.807 176.600 -0.021 0.000 0.994 199 E CA 1.014 57.401 56.400 -0.022 0.000 0.800 199 E CB -0.011 29.673 29.700 -0.027 0.000 0.752 199 E HN 0.314 nan 8.360 nan 0.000 0.447 200 E N 0.662 120.847 120.200 -0.025 0.000 2.338 200 E HA -0.083 4.266 4.350 -0.000 0.000 0.197 200 E C 0.092 176.682 176.600 -0.018 0.000 1.007 200 E CA 0.320 56.707 56.400 -0.021 0.000 0.849 200 E CB -0.049 29.635 29.700 -0.026 0.000 0.774 200 E HN 0.214 nan 8.360 nan 0.000 0.506 201 K N 0.664 121.054 120.400 -0.017 0.000 3.653 201 K HA -0.229 4.091 4.320 -0.000 0.000 0.275 201 K C -0.334 176.260 176.600 -0.011 0.000 0.962 201 K CA 0.819 57.100 56.287 -0.010 0.000 0.773 201 K CB -1.507 30.990 32.500 -0.005 0.000 1.463 201 K HN 0.311 nan 8.250 nan 0.000 0.450 202 K N -2.587 117.802 120.400 -0.018 0.000 2.578 202 K HA 0.361 4.681 4.320 -0.000 0.000 0.269 202 K C -0.592 175.993 176.600 -0.025 0.000 0.941 202 K CA -1.145 55.132 56.287 -0.017 0.000 0.847 202 K CB 1.414 33.905 32.500 -0.016 0.000 1.397 202 K HN -0.106 nan 8.250 nan 0.000 0.422 203 V N 4.206 124.112 119.914 -0.014 0.000 2.479 203 V HA 0.048 4.167 4.120 -0.000 0.000 0.281 203 V C 1.324 177.409 176.094 -0.016 0.000 1.031 203 V CA 0.066 62.359 62.300 -0.012 0.000 1.038 203 V CB 0.101 31.926 31.823 0.003 0.000 0.981 203 V HN 0.840 nan 8.190 nan 0.000 0.478 204 I N 1.865 122.415 120.570 -0.034 0.000 3.968 204 I HA 0.511 4.681 4.170 -0.000 0.000 0.328 204 I C 0.132 176.345 176.117 0.160 0.000 1.290 204 I CA 0.487 61.787 61.300 -0.001 0.000 1.163 204 I CB 0.380 38.309 38.000 -0.118 0.000 1.024 204 I HN 0.466 nan 8.210 nan 0.000 0.413 205 F N 0.972 120.895 119.950 -0.044 0.000 2.769 205 F HA 0.598 5.125 4.527 -0.000 0.000 0.313 205 F C -1.925 173.913 175.800 0.062 0.000 1.146 205 F CA -0.921 57.114 58.000 0.059 0.000 0.934 205 F CB 1.702 40.818 39.000 0.193 0.000 1.283 205 F HN -0.240 nan 8.300 nan 0.000 0.443 206 I N 3.649 124.097 120.570 -0.202 0.000 2.478 206 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 206 I C -1.367 174.835 176.117 0.141 0.000 1.042 206 I CA -0.784 60.539 61.300 0.039 0.000 1.067 206 I CB 1.795 39.754 38.000 -0.068 0.000 1.233 206 I HN 0.355 nan 8.210 nan 0.000 0.431 207 D N 7.515 128.134 120.400 0.366 0.000 2.317 207 D HA 0.455 5.095 4.640 -0.000 0.000 0.252 207 D C -0.331 176.132 176.300 0.272 0.000 1.174 207 D CA 0.296 54.540 54.000 0.407 0.000 0.866 207 D CB 1.552 42.577 40.800 0.376 0.000 1.127 207 D HN 0.277 nan 8.370 nan 0.000 0.467 208 I N 4.496 125.195 120.570 0.213 0.000 2.433 208 I HA 0.239 4.408 4.170 -0.000 0.000 0.292 208 I C -1.925 174.288 176.117 0.159 0.000 1.001 208 I CA -1.917 59.486 61.300 0.170 0.000 1.119 208 I CB 2.102 40.141 38.000 0.066 0.000 1.289 208 I HN 0.110 nan 8.210 nan 0.000 0.438 209 P HA 0.165 nan 4.420 nan 0.000 0.272 209 P C -0.186 177.177 177.300 0.106 0.000 1.223 209 P CA -0.310 62.882 63.100 0.153 0.000 0.784 209 P CB 0.992 32.812 31.700 0.200 0.000 0.923 210 N N 0.592 119.343 118.700 0.086 0.000 2.270 210 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 210 N C 0.899 176.446 175.510 0.060 0.000 1.016 210 N CA 0.793 53.877 53.050 0.057 0.000 0.870 210 N CB 0.213 38.724 38.487 0.041 0.000 0.979 210 N HN 0.417 nan 8.380 nan 0.000 0.431 211 R N 1.877 122.426 120.500 0.082 0.000 2.215 211 R HA 0.151 4.491 4.340 -0.000 0.000 0.336 211 R C -0.732 175.622 176.300 0.089 0.000 0.996 211 R CA -0.516 55.631 56.100 0.078 0.000 0.847 211 R CB 0.590 30.943 30.300 0.088 0.000 1.127 211 R HN -0.128 nan 8.270 nan 0.000 0.465 212 R N 3.381 123.921 120.500 0.066 0.000 2.390 212 R HA 0.262 4.602 4.340 -0.000 0.000 0.291 212 R C -0.388 175.942 176.300 0.050 0.000 1.070 212 R CA -0.560 55.579 56.100 0.066 0.000 1.014 212 R CB 0.734 31.061 30.300 0.044 0.000 1.007 212 R HN 0.496 nan 8.270 nan 0.000 0.466 213 R N 1.540 122.068 120.500 0.046 0.000 2.483 213 R HA 0.297 4.637 4.340 -0.000 0.000 0.303 213 R C -0.356 175.946 176.300 0.002 0.000 0.987 213 R CA -0.426 55.680 56.100 0.010 0.000 0.881 213 R CB 1.762 32.047 30.300 -0.024 0.000 1.177 213 R HN 0.379 nan 8.270 nan 0.000 0.451 214 K N 1.268 121.666 120.400 -0.003 0.000 2.107 214 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 214 K C -0.052 176.533 176.600 -0.025 0.000 1.012 214 K CA -0.811 55.472 56.287 -0.007 0.000 0.920 214 K CB 0.786 33.278 32.500 -0.014 0.000 1.033 214 K HN 0.210 nan 8.250 nan 0.000 0.478 215 V N 0.861 120.755 119.914 -0.033 0.000 2.872 215 V HA -0.117 4.003 4.120 -0.000 0.000 0.302 215 V C 0.731 176.826 176.094 0.001 0.000 1.166 215 V CA -0.120 62.163 62.300 -0.028 0.000 1.298 215 V CB 0.530 32.284 31.823 -0.114 0.000 0.894 215 V HN 0.810 nan 8.190 nan 0.000 0.509 216 S N 2.347 118.060 115.700 0.021 0.000 2.562 216 S HA 0.206 4.676 4.470 -0.000 0.000 0.281 216 S C 0.577 175.245 174.600 0.114 0.000 1.333 216 S CA -0.291 57.904 58.200 -0.009 0.000 1.052 216 S CB 0.528 63.579 63.200 -0.247 0.000 0.884 216 S HN 0.781 nan 8.310 nan 0.000 0.506 217 K N 1.812 122.213 120.400 0.002 0.000 2.397 217 K HA 0.221 4.541 4.320 -0.000 0.000 0.202 217 K C -0.262 176.323 176.600 -0.025 0.000 1.022 217 K CA -0.070 56.214 56.287 -0.005 0.000 1.141 217 K CB 0.114 32.551 32.500 -0.106 0.000 0.857 217 K HN 0.699 nan 8.250 nan 0.000 0.514 218 H N 0.329 119.509 119.070 0.184 0.000 2.509 218 H HA 0.187 4.742 4.556 -0.000 0.000 0.359 218 H C -0.091 175.452 175.328 0.359 0.000 1.253 218 H CA -0.238 55.923 56.048 0.188 0.000 1.373 218 H CB 0.764 30.569 29.762 0.072 0.000 1.555 218 H HN -0.171 nan 8.280 nan 0.000 0.586 219 K N 0.907 121.577 120.400 0.451 0.000 2.319 219 K HA 0.049 4.369 4.320 -0.000 0.000 0.265 219 K C -0.416 176.484 176.600 0.500 0.000 1.000 219 K CA -0.127 56.399 56.287 0.398 0.000 0.943 219 K CB 0.292 32.970 32.500 0.298 0.000 0.950 219 K HN 0.510 nan 8.250 nan 0.000 0.485 220 H N -0.036 119.181 119.070 0.246 0.000 2.690 220 H HA 0.123 4.679 4.556 -0.000 0.000 0.365 220 H C -0.224 175.109 175.328 0.008 0.000 1.142 220 H CA 0.304 56.454 56.048 0.169 0.000 1.417 220 H CB 0.807 30.517 29.762 -0.087 0.000 1.446 220 H HN 0.658 nan 8.280 nan 0.000 0.599 221 A N 4.047 126.792 122.820 -0.125 0.000 2.621 221 A HA 0.222 4.542 4.320 -0.000 0.000 0.329 221 A C -0.141 177.289 177.584 -0.257 0.000 1.458 221 A CA -0.738 51.100 52.037 -0.333 0.000 1.052 221 A CB -0.504 18.038 19.000 -0.763 0.000 1.142 221 A HN 0.663 nan 8.150 nan 0.000 0.523 222 N N 0.882 119.434 118.700 -0.247 0.000 2.476 222 N HA 0.613 5.352 4.740 -0.000 0.000 0.276 222 N C -0.134 175.276 175.510 -0.166 0.000 1.204 222 N CA -0.266 52.512 53.050 -0.454 0.000 0.974 222 N CB 1.066 38.900 38.487 -1.088 0.000 1.204 222 N HN 0.588 nan 8.380 nan 0.000 0.543 223 F N -2.405 117.516 119.950 -0.049 0.000 2.915 223 F HA 0.435 4.962 4.527 -0.000 0.000 0.347 223 F C -0.310 175.532 175.800 0.069 0.000 1.104 223 F CA -0.819 57.175 58.000 -0.010 0.000 1.126 223 F CB -0.464 38.447 39.000 -0.148 0.000 1.145 223 F HN 0.199 nan 8.300 nan 0.000 0.541 224 Y N 2.628 123.074 120.300 0.244 0.000 2.326 224 Y HA 0.331 4.881 4.550 -0.000 0.000 0.333 224 Y C -1.078 174.850 175.900 0.047 0.000 1.240 224 Y CA -1.669 56.513 58.100 0.138 0.000 1.365 224 Y CB 0.349 38.783 38.460 -0.042 0.000 1.289 224 Y HN -0.233 nan 8.280 nan 0.000 0.548 225 P HA -0.303 nan 4.420 nan 0.000 0.218 225 P C 1.108 178.419 177.300 0.018 0.000 1.154 225 P CA 2.741 65.884 63.100 0.073 0.000 0.872 225 P CB 0.119 31.855 31.700 0.061 0.000 0.790 226 K N -1.041 119.313 120.400 -0.076 0.000 2.097 226 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 226 K C 1.744 178.287 176.600 -0.096 0.000 1.049 226 K CA 1.682 57.886 56.287 -0.139 0.000 0.933 226 K CB -1.202 31.141 32.500 -0.261 0.000 0.717 226 K HN 0.272 nan 8.250 nan 0.000 0.442 227 H N 0.132 119.223 119.070 0.034 0.000 2.357 227 H HA 0.047 4.603 4.556 -0.000 0.000 0.301 227 H C 2.224 177.575 175.328 0.038 0.000 1.082 227 H CA 1.458 57.519 56.048 0.022 0.000 1.342 227 H CB 0.049 29.814 29.762 0.004 0.000 1.389 227 H HN 0.068 nan 8.280 nan 0.000 0.511 228 M N 0.208 119.912 119.600 0.172 0.000 2.117 228 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 228 M C 2.348 178.697 176.300 0.080 0.000 1.065 228 M CA 1.269 56.638 55.300 0.116 0.000 1.114 228 M CB -0.707 31.952 32.600 0.099 0.000 1.361 228 M HN 0.293 nan 8.290 nan 0.000 0.408 229 I N -0.156 120.450 120.570 0.060 0.000 2.335 229 I HA -0.285 3.884 4.170 -0.000 0.000 0.251 229 I C 2.480 178.626 176.117 0.048 0.000 1.129 229 I CA 1.208 62.533 61.300 0.042 0.000 1.402 229 I CB -0.229 37.785 38.000 0.023 0.000 1.069 229 I HN 0.385 nan 8.210 nan 0.000 0.424 230 E N 0.336 120.572 120.200 0.061 0.000 2.076 230 E HA -0.219 4.130 4.350 -0.000 0.000 0.190 230 E C 2.091 178.736 176.600 0.074 0.000 0.979 230 E CA 0.853 57.292 56.400 0.065 0.000 0.807 230 E CB 0.131 29.878 29.700 0.078 0.000 0.761 230 E HN 0.329 nan 8.360 nan 0.000 0.454 231 K N 0.657 121.110 120.400 0.089 0.000 1.973 231 K HA -0.087 4.232 4.320 -0.000 0.000 0.212 231 K C 1.043 177.688 176.600 0.075 0.000 1.047 231 K CA 1.249 57.591 56.287 0.091 0.000 0.937 231 K CB 0.032 32.593 32.500 0.102 0.000 0.721 231 K HN 0.010 nan 8.250 nan 0.000 0.440 232 V N -2.270 117.684 119.914 0.068 0.000 2.834 232 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 232 V C 1.271 177.394 176.094 0.047 0.000 1.060 232 V CA -0.337 61.996 62.300 0.055 0.000 0.989 232 V CB 1.092 32.946 31.823 0.052 0.000 1.041 232 V HN 0.388 nan 8.190 nan 0.000 0.459 233 G N 1.575 110.399 108.800 0.039 0.000 2.556 233 G HA2 0.194 4.154 3.960 -0.000 0.000 0.220 233 G HA3 0.194 4.154 3.960 -0.000 0.000 0.220 233 G C 0.556 175.474 174.900 0.031 0.000 1.156 233 G CA 1.566 46.686 45.100 0.033 0.000 0.766 233 G HN 1.809 nan 8.290 nan 0.000 0.583 234 A N -2.241 120.597 122.820 0.030 0.000 2.536 234 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 234 A C -0.633 176.968 177.584 0.028 0.000 1.119 234 A CA -0.657 51.397 52.037 0.027 0.000 0.654 234 A CB 0.540 19.553 19.000 0.021 0.000 1.291 234 A HN 0.017 nan 8.150 nan 0.000 0.439 235 M N 0.691 120.306 119.600 0.025 0.000 2.283 235 M HA 0.392 4.872 4.480 -0.000 0.000 0.314 235 M C 0.534 176.846 176.300 0.019 0.000 1.153 235 M CA -0.053 55.261 55.300 0.024 0.000 1.084 235 M CB 0.453 33.067 32.600 0.023 0.000 1.468 235 M HN 0.732 nan 8.290 nan 0.000 0.474 236 R N 0.920 121.430 120.500 0.017 0.000 2.539 236 R HA 0.330 4.670 4.340 -0.000 0.000 0.275 236 R C -2.051 174.256 176.300 0.012 0.000 1.077 236 R CA -1.349 54.759 56.100 0.014 0.000 1.097 236 R CB -0.341 29.965 30.300 0.011 0.000 1.018 236 R HN 0.376 nan 8.270 nan 0.000 0.483 237 P HA 0.002 nan 4.420 nan 0.000 0.269 237 P C -0.651 176.654 177.300 0.008 0.000 1.209 237 P CA -0.258 62.847 63.100 0.009 0.000 0.776 237 P CB 0.509 32.214 31.700 0.008 0.000 0.876 238 E N 1.213 121.417 120.200 0.008 0.000 2.481 238 E HA 0.258 4.607 4.350 -0.000 0.000 0.263 238 E C -0.356 176.248 176.600 0.006 0.000 0.992 238 E CA 0.096 56.501 56.400 0.007 0.000 0.938 238 E CB 0.186 29.890 29.700 0.008 0.000 0.933 238 E HN 0.509 nan 8.360 nan 0.000 0.453 239 A N 4.968 127.791 122.820 0.005 0.000 2.295 239 A HA 0.547 4.866 4.320 -0.000 0.000 0.318 239 A C -2.194 175.393 177.584 0.005 0.000 1.134 239 A CA -1.553 50.487 52.037 0.004 0.000 0.827 239 A CB 0.189 19.191 19.000 0.003 0.000 1.136 239 A HN 0.617 nan 8.150 nan 0.000 0.493 240 P HA 0.171 nan 4.420 nan 0.000 0.264 240 P C -2.252 175.051 177.300 0.005 0.000 1.183 240 P CA -0.278 62.825 63.100 0.005 0.000 0.763 240 P CB -0.216 31.486 31.700 0.004 0.000 0.807 241 P HA 0.251 nan 4.420 nan 0.000 0.274 241 P C -0.632 176.672 177.300 0.007 0.000 1.237 241 P CA 0.081 63.186 63.100 0.007 0.000 0.793 241 P CB 0.949 32.654 31.700 0.008 0.000 0.977 242 I N 2.291 122.866 120.570 0.008 0.000 2.437 242 I HA 0.217 4.387 4.170 -0.000 0.000 0.279 242 I C -0.111 176.014 176.117 0.013 0.000 1.028 242 I CA -0.648 60.658 61.300 0.009 0.000 1.142 242 I CB 0.938 38.942 38.000 0.008 0.000 1.266 242 I HN 0.159 nan 8.210 nan 0.000 0.461 243 N N 5.990 124.699 118.700 0.014 0.000 2.438 243 N HA 0.395 5.135 4.740 -0.000 0.000 0.282 243 N C -0.599 174.924 175.510 0.022 0.000 1.037 243 N CA -0.392 52.668 53.050 0.017 0.000 0.942 243 N CB 2.780 41.277 38.487 0.016 0.000 1.136 243 N HN 0.158 nan 8.380 nan 0.000 0.481 244 V N 1.313 121.243 119.914 0.027 0.000 2.398 244 V HA 0.512 4.632 4.120 -0.000 0.000 0.286 244 V C 0.435 176.551 176.094 0.036 0.000 1.026 244 V CA -0.549 61.772 62.300 0.035 0.000 0.868 244 V CB 1.304 33.154 31.823 0.045 0.000 0.982 244 V HN 0.838 nan 8.190 nan 0.000 0.443 245 T N 2.608 117.184 114.554 0.037 0.000 2.912 245 T HA 0.564 4.914 4.350 -0.000 0.000 0.299 245 T C -0.842 173.881 174.700 0.039 0.000 1.052 245 T CA -0.671 61.450 62.100 0.034 0.000 0.996 245 T CB 2.090 70.973 68.868 0.026 0.000 1.070 245 T HN 0.578 nan 8.240 nan 0.000 0.465 246 Q N 3.292 123.115 119.800 0.038 0.000 2.907 246 Q HA 0.278 4.618 4.340 -0.000 0.000 0.262 246 Q C -1.636 174.377 176.000 0.022 0.000 0.997 246 Q CA -2.124 53.701 55.803 0.037 0.000 0.797 246 Q CB 1.630 30.396 28.738 0.048 0.000 1.228 246 Q HN 0.614 nan 8.270 nan 0.000 0.466 247 P HA -0.215 nan 4.420 nan 0.000 0.216 247 P C 0.067 177.370 177.300 0.005 0.000 1.150 247 P CA 1.410 64.517 63.100 0.012 0.000 0.843 247 P CB 0.436 32.144 31.700 0.012 0.000 0.787 248 E N -0.496 119.706 120.200 0.005 0.000 2.451 248 E HA 0.386 4.736 4.350 -0.000 0.000 0.194 248 E C 0.884 177.476 176.600 -0.014 0.000 1.027 248 E CA 0.043 56.441 56.400 -0.003 0.000 0.914 248 E CB 0.060 29.760 29.700 -0.000 0.000 1.054 248 E HN 0.265 nan 8.360 nan 0.000 0.461 249 G N 0.515 109.305 108.800 -0.016 0.000 2.610 249 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.304 249 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.304 249 G C -0.209 174.660 174.900 -0.051 0.000 1.309 249 G CA -0.574 44.499 45.100 -0.044 0.000 0.906 249 G HN 0.421 nan 8.290 nan 0.000 0.521 250 V N -2.558 117.272 119.914 -0.139 0.000 2.966 250 V HA 0.864 4.983 4.120 -0.000 0.000 0.317 250 V C 1.488 177.497 176.094 -0.141 0.000 1.070 250 V CA 0.826 63.030 62.300 -0.160 0.000 1.008 250 V CB 1.487 33.018 31.823 -0.488 0.000 1.070 250 V HN 2.291 nan 8.190 nan 0.000 0.457 251 S N 1.183 116.913 115.700 0.049 0.000 2.524 251 S HA 0.200 4.670 4.470 -0.000 0.000 0.216 251 S C 0.470 175.202 174.600 0.220 0.000 0.987 251 S CA -0.098 58.174 58.200 0.120 0.000 0.909 251 S CB -0.749 62.564 63.200 0.189 0.000 0.781 251 S HN 0.992 nan 8.310 nan 0.000 0.521 252 F N 1.298 121.402 119.950 0.256 0.000 2.378 252 F HA 0.752 5.279 4.527 -0.000 0.000 0.325 252 F C -0.168 175.675 175.800 0.071 0.000 1.097 252 F CA -1.304 56.834 58.000 0.229 0.000 1.079 252 F CB 0.816 39.908 39.000 0.154 0.000 1.240 252 F HN -0.069 nan 8.300 nan 0.000 0.519 253 K N 4.055 124.602 120.400 0.245 0.000 2.463 253 K HA 0.458 4.778 4.320 -0.000 0.000 0.255 253 K C -1.614 175.035 176.600 0.082 0.000 0.942 253 K CA -0.667 55.675 56.287 0.091 0.000 0.814 253 K CB 1.232 33.754 32.500 0.036 0.000 1.122 253 K HN 0.894 nan 8.250 nan 0.000 0.425 254 M N 3.160 122.796 119.600 0.061 0.000 2.205 254 M HA 0.225 4.705 4.480 -0.000 0.000 0.344 254 M C -0.728 175.573 176.300 0.002 0.000 1.085 254 M CA -0.570 54.710 55.300 -0.034 0.000 1.001 254 M CB 2.040 34.550 32.600 -0.150 0.000 1.626 254 M HN 0.524 nan 8.290 nan 0.000 0.442 255 T N 2.970 117.514 114.554 -0.016 0.000 3.154 255 T HA 0.534 4.884 4.350 -0.000 0.000 0.381 255 T C 0.636 175.353 174.700 0.029 0.000 1.368 255 T CA 0.302 62.417 62.100 0.025 0.000 1.155 255 T CB 0.639 69.528 68.868 0.036 0.000 1.120 255 T HN 1.084 nan 8.240 nan 0.000 0.570 256 G N 3.828 112.650 108.800 0.038 0.000 2.552 256 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.267 256 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.267 256 G C 0.686 175.563 174.900 -0.038 0.000 1.174 256 G CA -0.126 44.996 45.100 0.037 0.000 0.955 256 G HN 0.510 nan 8.290 nan 0.000 0.546 257 N N 0.435 119.065 118.700 -0.117 0.000 2.280 257 N HA 0.191 4.930 4.740 -0.000 0.000 0.192 257 N C 0.629 175.893 175.510 -0.411 0.000 1.109 257 N CA 0.649 53.510 53.050 -0.315 0.000 0.855 257 N CB 0.856 39.013 38.487 -0.550 0.000 0.974 257 N HN 0.383 nan 8.380 nan 0.000 0.482 258 V N 2.605 122.380 119.914 -0.232 0.000 2.455 258 V HA 0.125 4.245 4.120 -0.000 0.000 0.273 258 V C 0.360 176.281 176.094 -0.288 0.000 1.045 258 V CA -0.263 61.916 62.300 -0.203 0.000 0.976 258 V CB 0.932 32.758 31.823 0.005 0.000 0.993 258 V HN 0.129 nan 8.190 nan 0.000 0.475 259 M N 5.434 124.713 119.600 -0.534 0.000 2.423 259 M HA 0.550 5.030 4.480 -0.000 0.000 0.335 259 M C -0.602 175.412 176.300 -0.477 0.000 1.177 259 M CA 0.279 55.200 55.300 -0.632 0.000 1.038 259 M CB 1.536 33.435 32.600 -1.168 0.000 1.641 259 M HN 0.644 nan 8.290 nan 0.000 0.455 260 E N 3.435 123.517 120.200 -0.197 0.000 2.260 260 E HA 0.449 4.799 4.350 -0.000 0.000 0.266 260 E C -2.293 174.419 176.600 0.186 0.000 0.887 260 E CA -0.294 56.092 56.400 -0.023 0.000 0.777 260 E CB 1.814 31.511 29.700 -0.005 0.000 1.205 260 E HN 0.790 nan 8.360 nan 0.000 0.414 261 W N 2.242 123.542 121.300 -0.001 0.000 3.827 261 W HA 0.172 4.832 4.660 -0.000 0.000 0.307 261 W C -0.445 176.162 176.519 0.146 0.000 1.204 261 W CA -0.279 57.118 57.345 0.087 0.000 1.250 261 W CB 1.346 30.862 29.460 0.094 0.000 1.281 261 W HN 0.453 nan 8.180 nan 0.000 0.494 262 S N 4.884 120.192 115.700 -0.653 0.000 3.549 262 S HA -0.305 4.165 4.470 -0.000 0.000 0.366 262 S C 0.746 175.061 174.600 -0.476 0.000 1.012 262 S CA 1.834 59.605 58.200 -0.715 0.000 1.141 262 S CB -1.287 61.151 63.200 -1.270 0.000 0.910 262 S HN 0.863 nan 8.310 nan 0.000 0.471 263 N N -2.890 115.555 118.700 -0.425 0.000 2.967 263 N HA -0.169 4.571 4.740 -0.000 0.000 0.212 263 N C -0.165 175.014 175.510 -0.551 0.000 0.884 263 N CA 1.620 54.270 53.050 -0.667 0.000 1.030 263 N CB -1.321 36.357 38.487 -1.349 0.000 1.018 263 N HN 0.533 nan 8.380 nan 0.000 0.596 264 F N 1.510 121.391 119.950 -0.114 0.000 2.389 264 F HA 0.464 4.991 4.527 -0.000 0.000 0.337 264 F C 0.962 176.823 175.800 0.102 0.000 1.112 264 F CA 0.254 58.346 58.000 0.154 0.000 1.192 264 F CB 0.913 40.161 39.000 0.413 0.000 1.185 264 F HN -0.189 nan 8.300 nan 0.000 0.552 265 K N 4.152 124.800 120.400 0.414 0.000 2.535 265 K HA 0.517 4.837 4.320 -0.000 0.000 0.251 265 K C -1.892 174.889 176.600 0.301 0.000 0.942 265 K CA -0.434 55.955 56.287 0.169 0.000 0.798 265 K CB 1.687 34.251 32.500 0.107 0.000 1.267 265 K HN 0.549 nan 8.250 nan 0.000 0.434 266 F N -0.350 119.608 119.950 0.013 0.000 2.773 266 F HA 0.418 4.945 4.527 -0.000 0.000 0.314 266 F C -1.478 174.313 175.800 -0.015 0.000 1.160 266 F CA -1.180 56.827 58.000 0.012 0.000 0.920 266 F CB 0.935 39.904 39.000 -0.051 0.000 1.323 266 F HN 0.410 nan 8.300 nan 0.000 0.457 267 H N 2.234 121.369 119.070 0.107 0.000 2.467 267 H HA 0.555 5.111 4.556 -0.000 0.000 0.326 267 H C -1.196 174.134 175.328 0.003 0.000 1.094 267 H CA -0.639 55.354 56.048 -0.092 0.000 1.253 267 H CB 1.548 31.149 29.762 -0.268 0.000 1.439 267 H HN 0.729 nan 8.280 nan 0.000 0.479 268 I N 5.519 125.848 120.570 -0.401 0.000 2.307 268 I HA 0.231 4.400 4.170 -0.000 0.000 0.287 268 I C 1.007 176.997 176.117 -0.211 0.000 1.054 268 I CA -0.331 60.865 61.300 -0.173 0.000 1.218 268 I CB 1.012 38.923 38.000 -0.148 0.000 1.398 268 I HN 0.539 nan 8.210 nan 0.000 0.475 269 G N 5.130 113.962 108.800 0.054 0.000 2.613 269 G HA2 0.722 4.682 3.960 -0.000 0.000 0.303 269 G HA3 0.722 4.682 3.960 -0.000 0.000 0.303 269 G C -1.479 173.548 174.900 0.211 0.000 1.312 269 G CA -0.336 44.870 45.100 0.176 0.000 1.036 269 G HN 0.391 nan 8.290 nan 0.000 0.513 270 F N 0.329 120.306 119.950 0.044 0.000 2.690 270 F HA 0.448 4.975 4.527 -0.000 0.000 0.311 270 F C -1.276 174.592 175.800 0.113 0.000 1.111 270 F CA -0.887 57.146 58.000 0.054 0.000 1.003 270 F CB 2.033 41.065 39.000 0.053 0.000 1.283 270 F HN 0.840 nan 8.300 nan 0.000 0.442 271 N N 2.040 120.610 118.700 -0.217 0.000 2.825 271 N HA 0.224 4.964 4.740 -0.000 0.000 0.253 271 N C 0.118 175.516 175.510 -0.185 0.000 1.426 271 N CA -0.445 52.633 53.050 0.046 0.000 0.851 271 N CB 0.377 38.897 38.487 0.056 0.000 1.470 271 N HN 0.544 nan 8.380 nan 0.000 0.517 272 Y N -0.684 119.466 120.300 -0.250 0.000 2.228 272 Y HA -0.046 4.504 4.550 -0.000 0.000 0.285 272 Y C 2.089 177.517 175.900 -0.787 0.000 1.178 272 Y CA 1.535 59.093 58.100 -0.904 0.000 1.202 272 Y CB -0.404 37.202 38.460 -1.424 0.000 0.974 272 Y HN 0.625 nan 8.280 nan 0.000 0.527 273 R N 0.274 119.853 120.500 -1.536 0.000 2.039 273 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 273 R C 2.178 178.049 176.300 -0.714 0.000 1.220 273 R CA 1.198 56.558 56.100 -1.233 0.000 0.993 273 R CB -0.059 29.335 30.300 -1.510 0.000 0.881 273 R HN 0.450 nan 8.270 nan 0.000 0.450 274 E N -0.402 119.468 120.200 -0.550 0.000 2.285 274 E HA 0.106 4.456 4.350 -0.000 0.000 0.194 274 E C 0.873 177.253 176.600 -0.367 0.000 0.997 274 E CA 0.441 56.644 56.400 -0.328 0.000 0.845 274 E CB 0.325 29.919 29.700 -0.176 0.000 0.782 274 E HN 0.559 nan 8.360 nan 0.000 0.491 275 G N 1.608 110.023 108.800 -0.642 0.000 2.509 275 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 275 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 275 G C -0.018 174.360 174.900 -0.871 0.000 1.152 275 G CA -0.281 44.239 45.100 -0.966 0.000 0.951 275 G HN 0.163 nan 8.290 nan 0.000 0.559 276 I N 0.983 121.395 120.570 -0.263 0.000 2.710 276 I HA 0.358 4.527 4.170 -0.000 0.000 0.286 276 I C 0.338 176.312 176.117 -0.238 0.000 1.181 276 I CA 0.092 61.367 61.300 -0.042 0.000 1.430 276 I CB 0.886 38.942 38.000 0.094 0.000 1.367 276 I HN 0.358 nan 8.210 nan 0.000 0.577 277 V N 7.671 127.454 119.914 -0.218 0.000 2.482 277 V HA 0.353 4.473 4.120 -0.000 0.000 0.295 277 V C -0.156 175.784 176.094 -0.256 0.000 1.026 277 V CA -0.552 61.582 62.300 -0.278 0.000 0.856 277 V CB 1.594 33.315 31.823 -0.171 0.000 1.001 277 V HN 0.442 nan 8.190 nan 0.000 0.424 278 L N 3.922 124.899 121.223 -0.410 0.000 2.289 278 L HA 0.728 5.068 4.340 -0.000 0.000 0.285 278 L C 0.238 176.994 176.870 -0.190 0.000 1.049 278 L CA 0.136 54.815 54.840 -0.269 0.000 0.804 278 L CB 1.642 43.430 42.059 -0.452 0.000 1.195 278 L HN 0.624 nan 8.230 nan 0.000 0.428 279 S N 0.394 116.063 115.700 -0.052 0.000 2.627 279 S HA 0.292 4.762 4.470 -0.000 0.000 0.283 279 S C -0.646 173.957 174.600 0.005 0.000 1.127 279 S CA -0.610 57.503 58.200 -0.145 0.000 0.863 279 S CB 1.767 64.788 63.200 -0.298 0.000 1.121 279 S HN 0.744 nan 8.310 nan 0.000 0.479 280 D N 1.075 121.438 120.400 -0.062 0.000 2.735 280 D HA -0.139 4.501 4.640 -0.000 0.000 0.235 280 D C -0.641 175.803 176.300 0.241 0.000 1.175 280 D CA 0.416 54.513 54.000 0.162 0.000 0.683 280 D CB -1.103 39.873 40.800 0.293 0.000 1.008 280 D HN 0.247 nan 8.370 nan 0.000 0.416 281 V N 0.989 121.032 119.914 0.215 0.000 2.498 281 V HA 0.609 4.728 4.120 -0.000 0.000 0.279 281 V C 0.866 177.102 176.094 0.236 0.000 1.048 281 V CA 0.347 62.810 62.300 0.272 0.000 0.967 281 V CB 1.570 33.521 31.823 0.214 0.000 0.988 281 V HN 0.505 nan 8.190 nan 0.000 0.473 282 S N 4.367 120.260 115.700 0.323 0.000 2.607 282 S HA 0.738 5.208 4.470 -0.000 0.000 0.273 282 S C -1.499 173.307 174.600 0.343 0.000 1.148 282 S CA -0.773 57.589 58.200 0.270 0.000 0.833 282 S CB 1.978 65.302 63.200 0.207 0.000 1.130 282 S HN 0.611 nan 8.310 nan 0.000 0.470 283 Y N 1.800 122.182 120.300 0.137 0.000 2.361 283 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 283 Y C -0.477 175.465 175.900 0.071 0.000 0.965 283 Y CA -0.767 57.358 58.100 0.042 0.000 1.091 283 Y CB 1.657 40.129 38.460 0.020 0.000 1.182 283 Y HN 0.865 nan 8.280 nan 0.000 0.450 284 N N 4.841 123.327 118.700 -0.357 0.000 2.508 284 N HA 0.001 4.741 4.740 -0.000 0.000 0.253 284 N C -1.050 174.411 175.510 -0.081 0.000 1.145 284 N CA 0.141 53.088 53.050 -0.171 0.000 0.973 284 N CB 0.122 38.472 38.487 -0.229 0.000 1.305 284 N HN 0.670 nan 8.380 nan 0.000 0.506 285 D N 2.442 122.988 120.400 0.243 0.000 2.508 285 D HA 0.037 4.677 4.640 -0.000 0.000 0.224 285 D C -0.319 176.080 176.300 0.164 0.000 1.171 285 D CA 0.013 54.208 54.000 0.325 0.000 1.006 285 D CB -0.854 40.192 40.800 0.411 0.000 1.073 285 D HN 0.557 nan 8.370 nan 0.000 0.513 286 H N 1.302 120.432 119.070 0.100 0.000 2.604 286 H HA -0.216 4.340 4.556 -0.000 0.000 0.321 286 H C 1.456 176.799 175.328 0.025 0.000 1.132 286 H CA 0.907 56.978 56.048 0.039 0.000 1.129 286 H CB -0.914 28.871 29.762 0.038 0.000 1.526 286 H HN 0.668 nan 8.280 nan 0.000 0.415 287 G N -0.245 108.603 108.800 0.080 0.000 2.313 287 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.215 287 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.215 287 G C 0.209 175.137 174.900 0.047 0.000 1.023 287 G CA 0.004 45.136 45.100 0.054 0.000 0.626 287 G HN 0.702 nan 8.290 nan 0.000 0.503 288 N N 0.844 119.587 118.700 0.073 0.000 2.437 288 N HA 0.433 5.173 4.740 -0.000 0.000 0.243 288 N C -0.065 175.495 175.510 0.084 0.000 1.041 288 N CA -0.316 52.772 53.050 0.063 0.000 0.940 288 N CB 0.876 39.399 38.487 0.061 0.000 1.133 288 N HN 0.066 nan 8.380 nan 0.000 0.506 289 V N 4.782 124.734 119.914 0.062 0.000 2.405 289 V HA 0.210 4.330 4.120 -0.000 0.000 0.264 289 V C 0.376 176.533 176.094 0.106 0.000 1.048 289 V CA -0.147 62.201 62.300 0.081 0.000 0.966 289 V CB 0.085 31.938 31.823 0.050 0.000 1.015 289 V HN 0.607 nan 8.190 nan 0.000 0.477 290 R N 5.926 126.532 120.500 0.176 0.000 2.338 290 R HA 0.467 4.807 4.340 -0.000 0.000 0.317 290 R C -2.724 173.710 176.300 0.225 0.000 0.968 290 R CA -1.839 54.372 56.100 0.185 0.000 0.849 290 R CB 1.601 32.020 30.300 0.200 0.000 1.128 290 R HN 0.402 nan 8.270 nan 0.000 0.448 291 P HA 0.109 nan 4.420 nan 0.000 0.272 291 P C -0.126 177.218 177.300 0.072 0.000 1.223 291 P CA 0.081 63.257 63.100 0.127 0.000 0.784 291 P CB 0.860 32.623 31.700 0.106 0.000 0.923 292 I N -0.808 119.704 120.570 -0.097 0.000 3.746 292 I HA 0.214 4.384 4.170 -0.000 0.000 0.262 292 I C -0.140 175.651 176.117 -0.544 0.000 1.153 292 I CA 0.424 61.407 61.300 -0.528 0.000 1.395 292 I CB 0.286 37.715 38.000 -0.953 0.000 1.589 292 I HN 0.108 nan 8.210 nan 0.000 0.441 293 F N 0.080 119.983 119.950 -0.079 0.000 2.565 293 F HA 0.367 4.894 4.527 -0.000 0.000 0.313 293 F C 0.975 176.776 175.800 0.001 0.000 1.091 293 F CA -1.021 56.934 58.000 -0.076 0.000 0.915 293 F CB 0.867 39.777 39.000 -0.150 0.000 1.208 293 F HN -0.039 nan 8.300 nan 0.000 0.453 294 H N 1.581 120.718 119.070 0.112 0.000 2.465 294 H HA 0.299 4.855 4.556 -0.000 0.000 0.289 294 H C 0.095 175.399 175.328 -0.040 0.000 1.022 294 H CA 0.788 56.846 56.048 0.017 0.000 1.340 294 H CB 0.602 30.329 29.762 -0.057 0.000 1.437 294 H HN 0.573 nan 8.280 nan 0.000 0.539 295 R N 0.486 120.904 120.500 -0.137 0.000 2.604 295 R HA 0.387 4.726 4.340 -0.000 0.000 0.261 295 R C -2.185 173.958 176.300 -0.262 0.000 1.080 295 R CA -0.526 55.420 56.100 -0.257 0.000 0.917 295 R CB 1.938 32.073 30.300 -0.276 0.000 1.252 295 R HN 0.238 nan 8.270 nan 0.000 0.456 296 I N 2.482 122.854 120.570 -0.331 0.000 2.722 296 I HA 0.574 4.743 4.170 -0.000 0.000 0.292 296 I C -1.555 174.297 176.117 -0.442 0.000 1.267 296 I CA -0.080 60.984 61.300 -0.394 0.000 1.036 296 I CB 2.156 39.868 38.000 -0.480 0.000 1.281 296 I HN 0.958 nan 8.210 nan 0.000 0.423 297 S N 6.091 121.644 115.700 -0.245 0.000 2.669 297 S HA 0.513 4.983 4.470 -0.000 0.000 0.266 297 S C -1.772 172.922 174.600 0.156 0.000 1.149 297 S CA -1.070 57.063 58.200 -0.111 0.000 0.842 297 S CB 0.993 64.087 63.200 -0.177 0.000 1.160 297 S HN 0.598 nan 8.310 nan 0.000 0.487 298 L N 2.587 123.950 121.223 0.233 0.000 2.264 298 L HA 0.502 4.842 4.340 -0.000 0.000 0.289 298 L C 1.177 178.089 176.870 0.070 0.000 1.044 298 L CA -0.239 54.715 54.840 0.190 0.000 0.807 298 L CB 1.752 43.958 42.059 0.245 0.000 1.192 298 L HN 1.011 nan 8.230 nan 0.000 0.425 299 S N 0.740 116.464 115.700 0.040 0.000 2.517 299 S HA 0.209 4.679 4.470 -0.000 0.000 0.214 299 S C 0.296 174.900 174.600 0.006 0.000 0.991 299 S CA -0.160 58.095 58.200 0.093 0.000 0.906 299 S CB 0.430 63.739 63.200 0.182 0.000 0.789 299 S HN 0.677 nan 8.310 nan 0.000 0.513 300 E N -0.721 119.371 120.200 -0.179 0.000 2.421 300 E HA 0.634 4.984 4.350 -0.000 0.000 0.278 300 E C -1.773 174.640 176.600 -0.311 0.000 1.141 300 E CA -0.468 55.770 56.400 -0.272 0.000 0.880 300 E CB 0.790 30.249 29.700 -0.402 0.000 1.381 300 E HN 0.303 nan 8.360 nan 0.000 0.436 301 M N 1.100 120.632 119.600 -0.113 0.000 2.813 301 M HA 0.655 5.135 4.480 -0.000 0.000 0.270 301 M C -1.409 175.019 176.300 0.214 0.000 1.267 301 M CA -0.956 54.314 55.300 -0.051 0.000 0.822 301 M CB 2.517 34.951 32.600 -0.277 0.000 1.671 301 M HN 0.558 nan 8.290 nan 0.000 0.468 302 I N 0.616 121.256 120.570 0.115 0.000 2.715 302 I HA 0.407 4.577 4.170 -0.000 0.000 0.288 302 I C -1.745 174.357 176.117 -0.024 0.000 1.371 302 I CA -0.480 60.869 61.300 0.080 0.000 1.056 302 I CB 1.874 39.900 38.000 0.042 0.000 1.339 302 I HN 0.419 nan 8.210 nan 0.000 0.425 303 V N 9.090 129.020 119.914 0.027 0.000 2.233 303 V HA 0.356 4.476 4.120 -0.000 0.000 0.261 303 V C -2.225 173.910 176.094 0.069 0.000 1.076 303 V CA -1.267 61.020 62.300 -0.021 0.000 1.001 303 V CB 0.554 32.400 31.823 0.038 0.000 1.206 303 V HN 0.522 nan 8.190 nan 0.000 0.468 304 P HA 0.172 nan 4.420 nan 0.000 0.276 304 P C -0.865 176.422 177.300 -0.022 0.000 1.243 304 P CA 0.050 63.191 63.100 0.069 0.000 0.768 304 P CB 0.671 32.347 31.700 -0.040 0.000 0.856 305 Y N 1.350 121.698 120.300 0.081 0.000 2.316 305 Y HA 0.431 4.981 4.550 -0.000 0.000 0.324 305 Y C 1.955 177.848 175.900 -0.012 0.000 1.267 305 Y CA 0.444 58.590 58.100 0.076 0.000 1.311 305 Y CB 0.835 39.352 38.460 0.095 0.000 1.267 305 Y HN 0.467 nan 8.280 nan 0.000 0.516 306 G N 0.219 109.063 108.800 0.074 0.000 3.605 306 G HA2 0.065 4.025 3.960 -0.000 0.000 0.277 306 G HA3 0.065 4.025 3.960 -0.000 0.000 0.277 306 G C -0.191 174.618 174.900 -0.152 0.000 1.093 306 G CA -0.157 44.935 45.100 -0.014 0.000 0.821 306 G HN 0.433 nan 8.290 nan 0.000 0.532 307 S N 1.274 116.820 115.700 -0.257 0.000 2.475 307 S HA 0.479 4.949 4.470 -0.000 0.000 0.281 307 S C -1.001 173.305 174.600 -0.490 0.000 1.198 307 S CA -1.420 56.469 58.200 -0.518 0.000 1.063 307 S CB 1.856 64.597 63.200 -0.764 0.000 0.972 307 S HN 0.087 nan 8.310 nan 0.000 0.486 308 P HA 0.092 nan 4.420 nan 0.000 0.245 308 P C -0.393 176.775 177.300 -0.220 0.000 1.206 308 P CA 0.149 62.983 63.100 -0.442 0.000 0.781 308 P CB 0.075 31.439 31.700 -0.559 0.000 0.994 309 E N 0.279 120.386 120.200 -0.155 0.000 2.360 309 E HA 0.114 4.464 4.350 -0.000 0.000 0.269 309 E C -0.375 176.187 176.600 -0.063 0.000 1.022 309 E CA -0.754 55.641 56.400 -0.010 0.000 0.887 309 E CB 0.423 30.180 29.700 0.096 0.000 0.990 309 E HN 0.061 nan 8.360 nan 0.000 0.426 310 F N 5.036 124.878 119.950 -0.181 0.000 2.572 310 F HA 0.056 4.582 4.527 -0.000 0.000 0.370 310 F C -1.398 174.129 175.800 -0.455 0.000 1.103 310 F CA -1.545 56.309 58.000 -0.243 0.000 1.286 310 F CB 0.813 39.726 39.000 -0.144 0.000 1.105 310 F HN 0.320 nan 8.300 nan 0.000 0.583 311 P HA 0.134 nan 4.420 nan 0.000 0.262 311 P C -0.118 176.715 177.300 -0.778 0.000 1.651 311 P CA 0.311 62.626 63.100 -1.310 0.000 1.119 311 P CB -0.383 30.658 31.700 -1.098 0.000 1.552 312 H N 0.103 118.931 119.070 -0.404 0.000 2.567 312 H HA -0.075 4.481 4.556 -0.000 0.000 0.276 312 H C 1.511 176.724 175.328 -0.192 0.000 1.016 312 H CA 0.658 56.524 56.048 -0.304 0.000 1.186 312 H CB -0.232 29.359 29.762 -0.285 0.000 1.351 312 H HN 0.260 nan 8.280 nan 0.000 0.605 313 Q N 0.537 120.266 119.800 -0.119 0.000 2.297 313 Q HA -0.013 4.327 4.340 -0.000 0.000 0.204 313 Q C 1.531 177.616 176.000 0.142 0.000 0.962 313 Q CA 0.733 56.525 55.803 -0.018 0.000 0.879 313 Q CB 0.050 28.754 28.738 -0.056 0.000 0.947 313 Q HN 0.348 nan 8.270 nan 0.000 0.462 314 R N 0.896 121.396 120.500 -0.001 0.000 2.323 314 R HA 0.084 4.424 4.340 -0.000 0.000 0.198 314 R C -0.034 176.258 176.300 -0.013 0.000 0.988 314 R CA 0.293 56.403 56.100 0.017 0.000 1.041 314 R CB 0.156 30.377 30.300 -0.131 0.000 0.926 314 R HN 0.130 nan 8.270 nan 0.000 0.476 315 K N 1.832 122.277 120.400 0.075 0.000 2.244 315 K HA 0.074 4.393 4.320 -0.000 0.000 0.263 315 K C -0.421 176.434 176.600 0.426 0.000 1.103 315 K CA -0.052 56.306 56.287 0.119 0.000 0.966 315 K CB 0.449 32.828 32.500 -0.202 0.000 1.429 315 K HN 0.317 nan 8.250 nan 0.000 0.434 316 H N 0.159 119.431 119.070 0.337 0.000 3.385 316 H HA 0.169 4.725 4.556 -0.000 0.000 0.205 316 H C -0.741 174.705 175.328 0.198 0.000 1.317 316 H CA -0.683 55.511 56.048 0.244 0.000 1.289 316 H CB -0.656 29.172 29.762 0.110 0.000 2.427 316 H HN 0.344 nan 8.280 nan 0.000 0.522 317 A N 1.857 124.802 122.820 0.208 0.000 2.546 317 A HA 0.290 4.610 4.320 -0.000 0.000 0.243 317 A C 0.213 177.830 177.584 0.056 0.000 1.063 317 A CA -0.098 51.986 52.037 0.079 0.000 0.757 317 A CB 0.119 19.140 19.000 0.034 0.000 0.991 317 A HN 0.486 nan 8.150 nan 0.000 0.503 318 L N 3.491 124.708 121.223 -0.009 0.000 2.494 318 L HA 0.204 4.544 4.340 -0.000 0.000 0.251 318 L C 0.811 177.621 176.870 -0.100 0.000 1.119 318 L CA -0.052 54.792 54.840 0.008 0.000 1.026 318 L CB 0.609 42.707 42.059 0.066 0.000 1.370 318 L HN 0.803 nan 8.230 nan 0.000 0.426 319 D N 1.142 121.504 120.400 -0.063 0.000 2.133 319 D HA -0.261 4.379 4.640 -0.000 0.000 0.192 319 D C 2.000 178.203 176.300 -0.161 0.000 1.001 319 D CA 1.739 55.724 54.000 -0.025 0.000 0.844 319 D CB 0.348 41.159 40.800 0.018 0.000 0.944 319 D HN 0.498 nan 8.370 nan 0.000 0.447 320 I N 0.978 121.418 120.570 -0.217 0.000 2.179 320 I HA -0.169 4.000 4.170 -0.000 0.000 0.242 320 I C 2.600 178.511 176.117 -0.343 0.000 1.088 320 I CA 1.482 62.598 61.300 -0.307 0.000 1.357 320 I CB -0.334 37.511 38.000 -0.258 0.000 1.051 320 I HN 0.014 nan 8.210 nan 0.000 0.409 321 G N -0.488 108.144 108.800 -0.280 0.000 2.712 321 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.212 321 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.212 321 G C 1.379 176.139 174.900 -0.234 0.000 1.142 321 G CA 0.089 45.015 45.100 -0.290 0.000 0.789 321 G HN 0.396 nan 8.290 nan 0.000 0.535 322 E N -1.317 118.696 120.200 -0.312 0.000 2.447 322 E HA 0.142 4.492 4.350 -0.000 0.000 0.204 322 E C 0.737 176.981 176.600 -0.594 0.000 0.977 322 E CA 0.254 56.366 56.400 -0.479 0.000 0.950 322 E CB 0.404 29.689 29.700 -0.691 0.000 0.975 322 E HN 0.569 nan 8.360 nan 0.000 0.496 323 Y N -0.418 119.838 120.300 -0.072 0.000 2.640 323 Y HA 0.339 4.888 4.550 -0.000 0.000 0.274 323 Y C 0.764 176.644 175.900 -0.034 0.000 1.164 323 Y CA 0.180 58.260 58.100 -0.033 0.000 1.189 323 Y CB 1.113 39.526 38.460 -0.079 0.000 1.333 323 Y HN -0.034 nan 8.280 nan 0.000 0.494 324 G N 0.844 109.586 108.800 -0.097 0.000 3.338 324 G HA2 0.158 4.117 3.960 -0.000 0.000 0.686 324 G HA3 0.158 4.117 3.960 -0.000 0.000 0.686 324 G C 0.547 175.178 174.900 -0.449 0.000 1.053 324 G CA -0.298 44.602 45.100 -0.333 0.000 0.852 324 G HN 0.645 nan 8.290 nan 0.000 0.545 325 A N 1.203 123.646 122.820 -0.627 0.000 2.119 325 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 325 A C 2.475 179.847 177.584 -0.354 0.000 1.153 325 A CA 2.309 53.864 52.037 -0.805 0.000 0.692 325 A CB -0.234 18.400 19.000 -0.610 0.000 0.799 325 A HN 2.115 nan 8.150 nan 0.000 0.458 326 G N -1.700 106.899 108.800 -0.335 0.000 2.447 326 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.211 326 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.211 326 G C 1.358 176.378 174.900 0.200 0.000 1.184 326 G CA 0.622 45.728 45.100 0.010 0.000 0.813 326 G HN 0.385 nan 8.290 nan 0.000 0.540 327 Y N 0.870 121.024 120.300 -0.243 0.000 2.256 327 Y HA 0.039 4.589 4.550 -0.000 0.000 0.288 327 Y C 2.763 178.690 175.900 0.045 0.000 1.155 327 Y CA 0.605 58.586 58.100 -0.200 0.000 1.203 327 Y CB -0.273 38.074 38.460 -0.187 0.000 0.980 327 Y HN 0.154 nan 8.280 nan 0.000 0.530 328 M N -1.396 118.310 119.600 0.176 0.000 2.495 328 M HA 0.034 4.514 4.480 -0.000 0.000 0.237 328 M C 0.802 177.284 176.300 0.303 0.000 1.131 328 M CA 0.145 55.557 55.300 0.187 0.000 1.032 328 M CB 0.027 32.692 32.600 0.109 0.000 1.513 328 M HN -0.170 nan 8.290 nan 0.000 0.488 329 T N 2.292 117.058 114.554 0.352 0.000 2.940 329 T HA 0.078 4.428 4.350 -0.000 0.000 0.309 329 T C 0.142 175.015 174.700 0.288 0.000 1.056 329 T CA 0.001 62.340 62.100 0.398 0.000 1.137 329 T CB 0.262 69.430 68.868 0.500 0.000 0.976 329 T HN 0.227 nan 8.240 nan 0.000 0.547 330 N N 5.142 123.984 118.700 0.236 0.000 2.479 330 N HA 0.348 5.088 4.740 -0.000 0.000 0.285 330 N C -2.679 172.896 175.510 0.109 0.000 1.075 330 N CA -1.877 51.266 53.050 0.154 0.000 0.967 330 N CB 1.003 39.563 38.487 0.122 0.000 1.137 330 N HN 0.352 nan 8.380 nan 0.000 0.472 331 P HA 0.114 nan 4.420 nan 0.000 0.271 331 P C 0.572 177.878 177.300 0.010 0.000 1.233 331 P CA -0.393 62.713 63.100 0.010 0.000 0.764 331 P CB 0.669 32.359 31.700 -0.017 0.000 0.825 332 L N 2.376 123.612 121.223 0.022 0.000 2.217 332 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 332 L C 2.315 179.205 176.870 0.032 0.000 1.107 332 L CA 1.455 56.344 54.840 0.081 0.000 0.783 332 L CB -1.854 40.350 42.059 0.242 0.000 0.919 332 L HN 0.352 nan 8.230 nan 0.000 0.442 333 S N -0.159 115.436 115.700 -0.176 0.000 2.444 333 S HA -0.241 4.228 4.470 -0.000 0.000 0.225 333 S C 2.079 176.646 174.600 -0.054 0.000 1.042 333 S CA 1.621 59.694 58.200 -0.211 0.000 1.132 333 S CB -0.445 62.534 63.200 -0.368 0.000 1.099 333 S HN 0.339 nan 8.310 nan 0.000 0.417 334 L N 0.653 121.843 121.223 -0.055 0.000 2.030 334 L HA -0.223 4.117 4.340 -0.000 0.000 0.222 334 L C 2.545 179.422 176.870 0.011 0.000 1.082 334 L CA 2.026 56.856 54.840 -0.016 0.000 0.785 334 L CB -1.302 40.751 42.059 -0.010 0.000 0.895 334 L HN 0.622 nan 8.230 nan 0.000 0.439 335 G N -2.354 106.460 108.800 0.022 0.000 2.498 335 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 335 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 335 G C 0.970 175.889 174.900 0.031 0.000 1.119 335 G CA 0.630 45.749 45.100 0.031 0.000 0.766 335 G HN 0.693 nan 8.290 nan 0.000 0.552 336 C N -0.381 118.941 119.300 0.038 0.000 4.584 336 C HA -0.156 4.304 4.460 -0.000 0.000 0.288 336 C C 1.493 176.507 174.990 0.040 0.000 1.284 336 C CA 0.016 59.057 59.018 0.037 0.000 2.038 336 C CB -2.394 25.362 27.740 0.026 0.000 1.246 336 C HN 0.634 nan 8.230 nan 0.000 0.765 337 D N 0.222 120.657 120.400 0.057 0.000 2.097 337 D HA -0.023 4.617 4.640 -0.000 0.000 0.197 337 D C 0.869 177.206 176.300 0.063 0.000 0.984 337 D CA 1.636 55.676 54.000 0.068 0.000 0.826 337 D CB 0.017 40.868 40.800 0.085 0.000 0.973 337 D HN 0.697 nan 8.370 nan 0.000 0.460 338 c N 1.610 120.230 118.600 0.035 0.000 2.251 338 c HA 0.454 5.024 4.570 -0.000 0.000 0.323 338 c C 0.196 174.198 174.090 -0.148 0.000 1.241 338 c CA -1.644 54.620 56.329 -0.107 0.000 1.601 338 c CB -0.212 42.169 42.510 -0.215 0.000 2.251 338 c HN 0.101 nan 8.230 nan 0.000 0.488 339 K N 2.610 122.928 120.400 -0.136 0.000 2.234 339 K HA 0.594 4.913 4.320 -0.000 0.000 0.282 339 K C 0.697 177.247 176.600 -0.083 0.000 1.039 339 K CA 0.936 57.182 56.287 -0.068 0.000 0.928 339 K CB 0.471 32.969 32.500 -0.004 0.000 1.039 339 K HN 1.155 nan 8.250 nan 0.000 0.470 340 G N 1.044 109.825 108.800 -0.032 0.000 2.396 340 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 340 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 340 G C -1.139 173.768 174.900 0.012 0.000 1.248 340 G CA -0.584 44.524 45.100 0.014 0.000 1.033 340 G HN 0.452 nan 8.290 nan 0.000 0.502 341 V N 2.285 122.237 119.914 0.062 0.000 2.341 341 V HA 0.302 4.421 4.120 -0.000 0.000 0.248 341 V C 0.793 176.945 176.094 0.097 0.000 1.107 341 V CA -0.192 62.152 62.300 0.074 0.000 1.069 341 V CB -0.233 31.640 31.823 0.084 0.000 1.177 341 V HN 0.530 nan 8.190 nan 0.000 0.492 342 I N 3.871 124.441 120.570 0.001 0.000 2.577 342 I HA 0.434 4.604 4.170 -0.000 0.000 0.300 342 I C 0.112 176.186 176.117 -0.072 0.000 0.990 342 I CA -0.295 60.924 61.300 -0.135 0.000 1.283 342 I CB 1.209 38.929 38.000 -0.466 0.000 1.411 342 I HN 0.513 nan 8.210 nan 0.000 0.515 343 H N 5.427 124.375 119.070 -0.203 0.000 2.727 343 H HA 0.413 4.968 4.556 -0.000 0.000 0.330 343 H C -1.569 173.624 175.328 -0.224 0.000 0.986 343 H CA -0.377 55.637 56.048 -0.057 0.000 1.251 343 H CB 0.883 30.753 29.762 0.180 0.000 1.493 343 H HN 0.375 nan 8.280 nan 0.000 0.515 344 Y N 3.484 123.844 120.300 0.100 0.000 2.458 344 Y HA 0.472 5.022 4.550 -0.000 0.000 0.322 344 Y C 0.206 176.153 175.900 0.079 0.000 1.259 344 Y CA -0.705 57.441 58.100 0.076 0.000 1.302 344 Y CB 1.566 40.017 38.460 -0.016 0.000 1.314 344 Y HN 0.387 nan 8.280 nan 0.000 0.509 345 L N 1.142 122.477 121.223 0.186 0.000 2.409 345 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 345 L C -1.350 175.454 176.870 -0.110 0.000 0.992 345 L CA -1.012 53.843 54.840 0.026 0.000 0.817 345 L CB 2.292 44.331 42.059 -0.032 0.000 1.350 345 L HN 0.571 nan 8.230 nan 0.000 0.411 346 D N 0.883 121.165 120.400 -0.196 0.000 2.326 346 D HA 0.719 5.358 4.640 -0.000 0.000 0.248 346 D C -0.544 175.387 176.300 -0.615 0.000 1.001 346 D CA -0.156 53.631 54.000 -0.355 0.000 0.961 346 D CB 2.284 42.906 40.800 -0.296 0.000 1.183 346 D HN 0.575 nan 8.370 nan 0.000 0.502 347 A N 1.066 123.432 122.820 -0.756 0.000 2.365 347 A HA 0.631 4.950 4.320 -0.000 0.000 0.318 347 A C -1.118 175.823 177.584 -1.072 0.000 1.091 347 A CA -0.660 50.865 52.037 -0.854 0.000 0.763 347 A CB 1.069 19.621 19.000 -0.747 0.000 1.248 347 A HN 0.562 nan 8.150 nan 0.000 0.442 348 H N 1.462 120.232 119.070 -0.501 0.000 2.609 348 H HA 0.643 5.198 4.556 -0.000 0.000 0.344 348 H C -1.332 173.842 175.328 -0.257 0.000 1.040 348 H CA -0.246 55.572 56.048 -0.382 0.000 1.216 348 H CB 1.220 30.911 29.762 -0.118 0.000 1.529 348 H HN 0.533 nan 8.280 nan 0.000 0.519 349 F N 0.028 120.143 119.950 0.275 0.000 2.835 349 F HA 0.516 5.043 4.527 -0.000 0.000 0.373 349 F C 0.762 176.665 175.800 0.172 0.000 1.209 349 F CA -1.171 56.989 58.000 0.267 0.000 1.082 349 F CB 0.675 39.924 39.000 0.415 0.000 1.472 349 F HN 0.342 nan 8.300 nan 0.000 0.519 350 S N -0.368 115.560 115.700 0.379 0.000 2.536 350 S HA 0.595 5.065 4.470 -0.000 0.000 0.298 350 S C -1.427 173.265 174.600 0.153 0.000 1.083 350 S CA -0.735 57.563 58.200 0.162 0.000 0.995 350 S CB 0.943 64.167 63.200 0.040 0.000 1.058 350 S HN 0.588 nan 8.310 nan 0.000 0.488 351 D N 1.926 122.377 120.400 0.086 0.000 2.478 351 D HA 0.338 4.978 4.640 -0.000 0.000 0.263 351 D C 1.146 177.502 176.300 0.094 0.000 1.153 351 D CA -0.771 53.273 54.000 0.073 0.000 1.038 351 D CB 0.308 41.143 40.800 0.058 0.000 1.120 351 D HN 0.528 nan 8.370 nan 0.000 0.564 352 R N -0.595 119.955 120.500 0.084 0.000 2.154 352 R HA -0.182 4.158 4.340 -0.000 0.000 0.248 352 R C 1.707 178.128 176.300 0.202 0.000 1.155 352 R CA 1.676 57.849 56.100 0.122 0.000 0.979 352 R CB -0.504 29.833 30.300 0.062 0.000 0.869 352 R HN 0.609 nan 8.270 nan 0.000 0.452 353 A N -0.971 121.935 122.820 0.143 0.000 2.208 353 A HA 0.169 4.489 4.320 -0.000 0.000 0.209 353 A C 1.321 178.982 177.584 0.129 0.000 1.161 353 A CA 0.944 53.073 52.037 0.152 0.000 0.782 353 A CB 0.105 19.151 19.000 0.077 0.000 0.816 353 A HN 0.521 nan 8.150 nan 0.000 0.477 354 G N -0.758 108.033 108.800 -0.014 0.000 2.157 354 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.239 354 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.239 354 G C -0.487 174.261 174.900 -0.253 0.000 0.982 354 G CA 0.117 44.941 45.100 -0.461 0.000 0.650 354 G HN 0.458 nan 8.290 nan 0.000 0.527 355 D N 1.393 121.736 120.400 -0.095 0.000 2.177 355 D HA 0.472 5.112 4.640 -0.000 0.000 0.247 355 D C -2.326 173.962 176.300 -0.021 0.000 1.063 355 D CA -1.298 52.671 54.000 -0.053 0.000 0.867 355 D CB 1.595 42.386 40.800 -0.015 0.000 1.168 355 D HN 0.040 nan 8.370 nan 0.000 0.445 356 P HA 0.096 nan 4.420 nan 0.000 0.266 356 P C -0.378 176.953 177.300 0.052 0.000 1.195 356 P CA 0.120 63.230 63.100 0.017 0.000 0.768 356 P CB 0.446 32.130 31.700 -0.027 0.000 0.838 357 I N -1.500 119.133 120.570 0.104 0.000 2.689 357 I HA 0.651 4.821 4.170 -0.000 0.000 0.299 357 I C -0.733 175.429 176.117 0.074 0.000 1.059 357 I CA -0.695 60.668 61.300 0.105 0.000 1.055 357 I CB 2.568 40.663 38.000 0.158 0.000 1.243 357 I HN 0.059 nan 8.210 nan 0.000 0.425 358 T N 3.949 118.532 114.554 0.049 0.000 2.876 358 T HA 0.490 4.840 4.350 -0.000 0.000 0.289 358 T C -0.826 173.826 174.700 -0.080 0.000 1.014 358 T CA -0.603 61.490 62.100 -0.012 0.000 0.986 358 T CB 2.338 71.265 68.868 0.099 0.000 1.021 358 T HN 0.609 nan 8.240 nan 0.000 0.458 359 V N 4.143 123.936 119.914 -0.201 0.000 2.376 359 V HA 0.509 4.629 4.120 -0.000 0.000 0.287 359 V C -0.466 175.523 176.094 -0.175 0.000 1.015 359 V CA -0.847 61.385 62.300 -0.114 0.000 0.834 359 V CB 0.838 32.649 31.823 -0.020 0.000 1.001 359 V HN 0.730 nan 8.190 nan 0.000 0.428 360 K N 4.665 124.992 120.400 -0.121 0.000 2.326 360 K HA 0.289 4.609 4.320 -0.000 0.000 0.275 360 K C 0.398 176.907 176.600 -0.152 0.000 1.018 360 K CA 0.254 56.457 56.287 -0.140 0.000 0.962 360 K CB 0.209 32.639 32.500 -0.117 0.000 0.953 360 K HN 0.935 nan 8.250 nan 0.000 0.475 361 N N 0.528 119.133 118.700 -0.158 0.000 2.696 361 N HA -0.256 4.484 4.740 -0.000 0.000 0.256 361 N C 0.318 175.813 175.510 -0.026 0.000 1.031 361 N CA 0.275 53.262 53.050 -0.104 0.000 0.730 361 N CB -0.735 37.493 38.487 -0.432 0.000 0.894 361 N HN 0.759 nan 8.380 nan 0.000 0.544 362 A N -0.521 122.229 122.820 -0.117 0.000 1.975 362 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 362 A C 0.871 178.412 177.584 -0.072 0.000 1.170 362 A CA 0.982 52.925 52.037 -0.158 0.000 0.656 362 A CB 0.701 19.403 19.000 -0.496 0.000 0.821 362 A HN 0.203 nan 8.150 nan 0.000 0.449 363 V N -0.464 119.413 119.914 -0.062 0.000 2.680 363 V HA 0.448 4.567 4.120 -0.000 0.000 0.309 363 V C -0.394 175.770 176.094 0.117 0.000 1.052 363 V CA -0.728 61.598 62.300 0.043 0.000 0.908 363 V CB 1.209 33.027 31.823 -0.008 0.000 1.001 363 V HN 0.536 nan 8.190 nan 0.000 0.431 364 c N 5.825 124.474 118.600 0.081 0.000 2.396 364 c HA 0.839 5.408 4.570 -0.000 0.000 0.321 364 c C -0.709 173.366 174.090 -0.025 0.000 1.233 364 c CA -0.598 55.684 56.329 -0.078 0.000 1.440 364 c CB -0.322 42.135 42.510 -0.087 0.000 2.110 364 c HN 0.786 nan 8.230 nan 0.000 0.473 365 I N 7.049 127.561 120.570 -0.096 0.000 2.474 365 I HA 0.674 4.844 4.170 -0.000 0.000 0.294 365 I C -0.092 176.005 176.117 -0.034 0.000 1.005 365 I CA 0.011 61.238 61.300 -0.122 0.000 1.113 365 I CB 1.625 39.434 38.000 -0.319 0.000 1.289 365 I HN 0.969 nan 8.210 nan 0.000 0.436 366 H N 4.025 122.899 119.070 -0.327 0.000 2.969 366 H HA 0.359 4.915 4.556 -0.000 0.000 0.304 366 H C -2.073 173.157 175.328 -0.163 0.000 1.400 366 H CA -1.158 54.802 56.048 -0.148 0.000 1.182 366 H CB 1.015 30.767 29.762 -0.017 0.000 1.865 366 H HN 0.647 nan 8.280 nan 0.000 0.512 367 E N 1.396 121.588 120.200 -0.013 0.000 2.195 367 E HA 0.591 4.941 4.350 -0.000 0.000 0.271 367 E C -0.994 175.610 176.600 0.005 0.000 0.923 367 E CA -0.900 55.443 56.400 -0.096 0.000 0.790 367 E CB 2.734 32.515 29.700 0.135 0.000 1.155 367 E HN 0.685 nan 8.360 nan 0.000 0.402 368 E N 1.709 121.882 120.200 -0.045 0.000 2.410 368 E HA 0.301 4.651 4.350 -0.000 0.000 0.269 368 E C -1.030 175.598 176.600 0.046 0.000 0.937 368 E CA -1.081 55.333 56.400 0.022 0.000 0.793 368 E CB 1.305 30.998 29.700 -0.013 0.000 1.314 368 E HN 0.416 nan 8.360 nan 0.000 0.447 369 D N 0.694 121.121 120.400 0.046 0.000 2.382 369 D HA 0.076 4.716 4.640 -0.000 0.000 0.245 369 D C -0.670 175.642 176.300 0.021 0.000 1.120 369 D CA 0.427 54.452 54.000 0.042 0.000 0.890 369 D CB 1.034 41.853 40.800 0.031 0.000 1.201 369 D HN 0.358 nan 8.370 nan 0.000 0.433 370 D N 1.102 121.517 120.400 0.025 0.000 2.819 370 D HA 0.288 4.927 4.640 -0.000 0.000 0.326 370 D C 0.771 177.072 176.300 0.001 0.000 1.408 370 D CA -0.007 53.998 54.000 0.010 0.000 0.811 370 D CB -0.014 40.803 40.800 0.028 0.000 1.148 370 D HN 0.660 nan 8.370 nan 0.000 0.457 371 G N 0.437 109.234 108.800 -0.004 0.000 2.547 371 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.271 371 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.271 371 G C -0.219 174.663 174.900 -0.029 0.000 1.209 371 G CA -0.101 44.990 45.100 -0.014 0.000 0.959 371 G HN 0.300 nan 8.290 nan 0.000 0.563 372 L N 0.512 121.715 121.223 -0.034 0.000 2.371 372 L HA 0.419 4.759 4.340 -0.000 0.000 0.272 372 L C 1.640 178.459 176.870 -0.085 0.000 1.124 372 L CA -0.675 54.128 54.840 -0.062 0.000 0.816 372 L CB 1.263 43.303 42.059 -0.031 0.000 1.129 372 L HN 0.561 nan 8.230 nan 0.000 0.448 373 L N 3.775 124.867 121.223 -0.218 0.000 2.253 373 L HA 0.282 4.622 4.340 -0.000 0.000 0.205 373 L C -0.227 176.555 176.870 -0.147 0.000 1.078 373 L CA 1.181 55.856 54.840 -0.276 0.000 0.805 373 L CB 0.256 41.957 42.059 -0.598 0.000 0.963 373 L HN 0.579 nan 8.230 nan 0.000 0.459 374 F N -2.539 117.430 119.950 0.032 0.000 2.799 374 F HA 0.545 5.072 4.527 -0.000 0.000 0.316 374 F C -0.819 175.007 175.800 0.044 0.000 1.155 374 F CA -1.748 56.272 58.000 0.033 0.000 0.916 374 F CB 0.453 39.469 39.000 0.027 0.000 1.294 374 F HN -0.150 nan 8.300 nan 0.000 0.447 375 K N 0.852 121.462 120.400 0.349 0.000 2.587 375 K HA 0.636 4.955 4.320 -0.000 0.000 0.276 375 K C -2.590 174.157 176.600 0.245 0.000 0.956 375 K CA -0.830 55.606 56.287 0.249 0.000 0.857 375 K CB 2.415 34.987 32.500 0.121 0.000 1.431 375 K HN 1.143 nan 8.250 nan 0.000 0.420 376 H N 0.141 119.271 119.070 0.099 0.000 3.129 376 H HA 0.446 5.001 4.556 -0.000 0.000 0.342 376 H C -2.013 173.363 175.328 0.079 0.000 1.092 376 H CA -0.243 55.846 56.048 0.068 0.000 1.310 376 H CB 1.885 31.684 29.762 0.061 0.000 1.932 376 H HN 0.565 nan 8.280 nan 0.000 0.507 377 S N 3.380 118.711 115.700 -0.615 0.000 2.542 377 S HA 0.247 4.717 4.470 -0.000 0.000 0.293 377 S C -1.166 173.254 174.600 -0.301 0.000 1.089 377 S CA -0.959 57.064 58.200 -0.295 0.000 0.961 377 S CB 1.742 64.890 63.200 -0.087 0.000 1.062 377 S HN 0.670 nan 8.310 nan 0.000 0.483 378 D N 1.239 121.622 120.400 -0.029 0.000 2.277 378 D HA 0.233 4.873 4.640 -0.000 0.000 0.249 378 D C 0.714 177.048 176.300 0.056 0.000 1.134 378 D CA -0.750 53.240 54.000 -0.017 0.000 0.863 378 D CB 0.654 41.402 40.800 -0.087 0.000 1.143 378 D HN 0.462 nan 8.370 nan 0.000 0.458 379 F N 3.187 123.195 119.950 0.096 0.000 2.502 379 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 379 F C 1.892 177.563 175.800 -0.215 0.000 1.111 379 F CA 0.120 58.025 58.000 -0.158 0.000 1.445 379 F CB -0.289 38.704 39.000 -0.013 0.000 1.081 379 F HN 0.203 nan 8.300 nan 0.000 0.558 380 R N 0.996 120.989 120.500 -0.845 0.000 2.105 380 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 380 R C 0.477 176.625 176.300 -0.253 0.000 1.135 380 R CA 1.675 57.442 56.100 -0.555 0.000 0.967 380 R CB -0.691 29.270 30.300 -0.566 0.000 0.861 380 R HN 0.513 nan 8.270 nan 0.000 0.442 381 D N -1.402 118.870 120.400 -0.213 0.000 2.755 381 D HA 0.004 4.644 4.640 -0.000 0.000 0.257 381 D C -0.579 175.634 176.300 -0.144 0.000 1.291 381 D CA -0.440 53.481 54.000 -0.132 0.000 0.836 381 D CB -0.795 39.957 40.800 -0.080 0.000 1.059 381 D HN 0.119 nan 8.370 nan 0.000 0.486 382 N N 1.146 119.684 118.700 -0.271 0.000 2.716 382 N HA -0.292 4.447 4.740 -0.000 0.000 0.250 382 N C -0.651 174.658 175.510 -0.336 0.000 1.033 382 N CA 0.351 53.130 53.050 -0.452 0.000 0.727 382 N CB -0.790 37.557 38.487 -0.232 0.000 0.950 382 N HN 0.242 nan 8.380 nan 0.000 0.541 383 F N -4.645 115.308 119.950 0.005 0.000 2.840 383 F HA -0.328 4.199 4.527 -0.000 0.000 0.310 383 F C 1.719 177.526 175.800 0.012 0.000 0.688 383 F CA 0.775 58.772 58.000 -0.006 0.000 1.286 383 F CB -2.211 36.789 39.000 0.000 0.000 1.612 383 F HN 0.306 nan 8.300 nan 0.000 0.335 384 A N -0.914 121.985 122.820 0.132 0.000 1.877 384 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 384 A C 1.499 179.165 177.584 0.135 0.000 1.186 384 A CA 2.035 54.141 52.037 0.116 0.000 0.620 384 A CB -0.622 18.410 19.000 0.054 0.000 0.822 384 A HN 0.359 nan 8.150 nan 0.000 0.443 385 T N 1.084 115.690 114.554 0.087 0.000 2.751 385 T HA 0.427 4.776 4.350 -0.000 0.000 0.290 385 T C -0.205 174.556 174.700 0.102 0.000 0.919 385 T CA 0.783 62.924 62.100 0.069 0.000 1.136 385 T CB -0.016 68.865 68.868 0.023 0.000 0.875 385 T HN 0.408 nan 8.240 nan 0.000 0.532 386 S N 3.561 119.340 115.700 0.132 0.000 2.552 386 S HA 0.707 5.177 4.470 -0.000 0.000 0.272 386 S C -1.939 172.764 174.600 0.172 0.000 1.150 386 S CA -0.913 57.382 58.200 0.158 0.000 0.849 386 S CB 1.158 64.489 63.200 0.218 0.000 1.113 386 S HN 0.658 nan 8.310 nan 0.000 0.458 387 L N 3.717 125.045 121.223 0.175 0.000 2.470 387 L HA 0.871 5.210 4.340 -0.000 0.000 0.268 387 L C -1.859 175.141 176.870 0.216 0.000 0.964 387 L CA -0.462 54.484 54.840 0.177 0.000 0.839 387 L CB 1.797 43.948 42.059 0.153 0.000 1.276 387 L HN 0.562 nan 8.230 nan 0.000 0.403 388 V N 2.894 122.931 119.914 0.205 0.000 2.638 388 V HA 0.624 4.743 4.120 -0.000 0.000 0.306 388 V C -0.469 175.662 176.094 0.063 0.000 1.052 388 V CA -0.394 61.992 62.300 0.142 0.000 0.885 388 V CB 2.124 34.018 31.823 0.118 0.000 0.999 388 V HN 0.786 nan 8.190 nan 0.000 0.424 389 T N 4.839 119.338 114.554 -0.092 0.000 2.840 389 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 389 T C -0.153 174.348 174.700 -0.332 0.000 0.991 389 T CA -0.640 61.301 62.100 -0.265 0.000 0.964 389 T CB 1.214 69.744 68.868 -0.564 0.000 0.954 389 T HN 0.539 nan 8.240 nan 0.000 0.438 390 R N 1.373 121.765 120.500 -0.179 0.000 2.560 390 R HA 0.749 5.089 4.340 -0.000 0.000 0.270 390 R C -0.020 176.201 176.300 -0.132 0.000 1.074 390 R CA -0.634 55.388 56.100 -0.129 0.000 1.140 390 R CB 0.870 31.139 30.300 -0.052 0.000 1.073 390 R HN 0.670 nan 8.270 nan 0.000 0.527 391 A N 0.717 123.492 122.820 -0.076 0.000 2.325 391 A HA 0.502 4.821 4.320 -0.000 0.000 0.333 391 A C -0.430 177.192 177.584 0.063 0.000 1.155 391 A CA -0.444 51.584 52.037 -0.016 0.000 0.814 391 A CB 1.776 20.772 19.000 -0.006 0.000 1.206 391 A HN 0.598 nan 8.150 nan 0.000 0.482 392 T N 0.781 115.428 114.554 0.154 0.000 2.916 392 T HA 0.604 4.954 4.350 -0.000 0.000 0.298 392 T C -0.823 174.110 174.700 0.389 0.000 1.031 392 T CA -0.711 61.528 62.100 0.231 0.000 0.993 392 T CB 0.760 69.786 68.868 0.263 0.000 1.045 392 T HN 0.873 nan 8.240 nan 0.000 0.454 393 K N 4.014 124.538 120.400 0.206 0.000 2.267 393 K HA 0.670 4.990 4.320 -0.000 0.000 0.246 393 K C -0.969 175.449 176.600 -0.303 0.000 0.954 393 K CA -1.200 55.131 56.287 0.073 0.000 0.824 393 K CB 1.888 34.388 32.500 0.001 0.000 1.167 393 K HN 0.465 nan 8.250 nan 0.000 0.431 394 L N 3.197 123.966 121.223 -0.757 0.000 2.275 394 L HA 0.397 4.736 4.340 -0.000 0.000 0.288 394 L C -1.243 175.366 176.870 -0.435 0.000 1.046 394 L CA -0.865 53.411 54.840 -0.940 0.000 0.805 394 L CB 1.625 42.764 42.059 -1.532 0.000 1.193 394 L HN 0.560 nan 8.230 nan 0.000 0.426 395 V N 5.630 125.286 119.914 -0.430 0.000 2.444 395 V HA 0.373 4.493 4.120 -0.000 0.000 0.294 395 V C -0.194 175.846 176.094 -0.091 0.000 1.022 395 V CA -0.658 61.513 62.300 -0.216 0.000 0.850 395 V CB 2.089 33.729 31.823 -0.304 0.000 0.992 395 V HN 0.467 nan 8.190 nan 0.000 0.426 396 V N 3.964 123.935 119.914 0.096 0.000 2.334 396 V HA 0.603 4.722 4.120 -0.000 0.000 0.281 396 V C 0.133 176.377 176.094 0.250 0.000 1.016 396 V CA -0.033 62.353 62.300 0.144 0.000 0.832 396 V CB 1.454 33.392 31.823 0.191 0.000 0.999 396 V HN 0.888 nan 8.190 nan 0.000 0.439 397 S N 4.284 120.095 115.700 0.184 0.000 2.638 397 S HA 0.884 5.354 4.470 -0.000 0.000 0.302 397 S C -0.952 173.716 174.600 0.114 0.000 1.096 397 S CA -0.534 57.733 58.200 0.111 0.000 0.953 397 S CB 2.122 65.362 63.200 0.068 0.000 1.107 397 S HN 0.923 nan 8.310 nan 0.000 0.503 398 Q N 1.642 121.472 119.800 0.049 0.000 2.482 398 Q HA 0.682 5.022 4.340 -0.000 0.000 0.286 398 Q C -1.947 174.082 176.000 0.047 0.000 1.007 398 Q CA -0.873 55.019 55.803 0.148 0.000 0.801 398 Q CB 1.317 30.263 28.738 0.347 0.000 1.455 398 Q HN 0.658 nan 8.270 nan 0.000 0.398 399 I N 3.128 123.767 120.570 0.114 0.000 2.512 399 I HA 0.474 4.644 4.170 -0.000 0.000 0.287 399 I C -1.209 175.020 176.117 0.187 0.000 1.069 399 I CA -0.870 60.458 61.300 0.047 0.000 1.056 399 I CB 1.439 39.441 38.000 0.003 0.000 1.229 399 I HN 0.693 nan 8.210 nan 0.000 0.429 400 F N 3.441 123.474 119.950 0.139 0.000 2.538 400 F HA 0.797 5.324 4.527 -0.000 0.000 0.325 400 F C -0.535 175.363 175.800 0.164 0.000 1.066 400 F CA -0.842 57.252 58.000 0.157 0.000 0.946 400 F CB 1.502 40.597 39.000 0.159 0.000 1.199 400 F HN 0.137 nan 8.300 nan 0.000 0.473 401 T N 2.458 117.275 114.554 0.438 0.000 2.770 401 T HA 0.676 5.026 4.350 -0.000 0.000 0.283 401 T C -0.426 174.462 174.700 0.313 0.000 0.988 401 T CA -0.414 61.849 62.100 0.271 0.000 0.957 401 T CB 1.087 70.049 68.868 0.157 0.000 0.930 401 T HN 0.909 nan 8.240 nan 0.000 0.443 402 A N 2.908 125.895 122.820 0.279 0.000 2.801 402 A HA 0.764 5.084 4.320 -0.000 0.000 0.344 402 A C 1.163 178.735 177.584 -0.021 0.000 1.322 402 A CA 0.078 52.186 52.037 0.118 0.000 0.913 402 A CB -0.950 18.213 19.000 0.272 0.000 1.140 402 A HN 1.472 nan 8.150 nan 0.000 0.487 403 A N 1.945 124.742 122.820 -0.038 0.000 5.002 403 A HA -0.302 4.018 4.320 -0.000 0.000 0.326 403 A C 0.987 178.625 177.584 0.089 0.000 1.875 403 A CA 1.600 53.658 52.037 0.035 0.000 0.708 403 A CB -2.053 16.954 19.000 0.011 0.000 1.371 403 A HN 1.496 nan 8.150 nan 0.000 0.378 407 Y N 0.221 120.186 120.300 -0.559 0.000 2.345 407 Y HA 0.363 4.912 4.550 -0.000 0.000 0.331 407 Y C -0.053 175.569 175.900 -0.463 0.000 0.959 407 Y CA -0.701 57.056 58.100 -0.573 0.000 1.204 407 Y CB 1.336 39.216 38.460 -0.967 0.000 1.135 407 Y HN 0.497 nan 8.280 nan 0.000 0.477 408 C N 5.642 124.827 119.300 -0.191 0.000 2.265 408 C HA 0.614 5.074 4.460 -0.000 0.000 0.332 408 C C 0.024 174.780 174.990 -0.389 0.000 1.248 408 C CA -1.239 57.618 59.018 -0.269 0.000 1.727 408 C CB -1.138 26.523 27.740 -0.132 0.000 2.348 408 C HN 0.630 nan 8.230 nan 0.000 0.519 409 L N 3.621 124.541 121.223 -0.505 0.000 2.322 409 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 409 L C -1.112 175.369 176.870 -0.649 0.000 1.014 409 L CA -0.489 54.087 54.840 -0.440 0.000 0.815 409 L CB 0.741 42.711 42.059 -0.149 0.000 1.247 409 L HN 0.613 nan 8.230 nan 0.000 0.421 410 Y N 0.553 120.694 120.300 -0.265 0.000 2.327 410 Y HA 0.309 4.859 4.550 -0.000 0.000 0.325 410 Y C -0.918 174.781 175.900 -0.334 0.000 0.999 410 Y CA -0.739 57.246 58.100 -0.190 0.000 1.195 410 Y CB 1.065 39.443 38.460 -0.138 0.000 1.132 410 Y HN 0.468 nan 8.280 nan 0.000 0.455 411 W N 3.709 125.023 121.300 0.023 0.000 2.358 411 W HA 0.618 5.277 4.660 -0.000 0.000 0.307 411 W C -0.841 175.610 176.519 -0.114 0.000 1.203 411 W CA -0.701 56.587 57.345 -0.095 0.000 1.279 411 W CB 1.021 30.437 29.460 -0.073 0.000 1.264 411 W HN 0.147 nan 8.180 nan 0.000 0.474 412 V N 5.240 125.097 119.914 -0.095 0.000 2.448 412 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 412 V C -0.545 175.364 176.094 -0.310 0.000 1.025 412 V CA -1.122 61.097 62.300 -0.134 0.000 0.859 412 V CB 0.755 32.498 31.823 -0.132 0.000 0.988 412 V HN 0.195 nan 8.190 nan 0.000 0.431 413 F N 4.321 124.143 119.950 -0.214 0.000 2.443 413 F HA 0.740 5.267 4.527 -0.000 0.000 0.335 413 F C 0.299 176.202 175.800 0.172 0.000 1.104 413 F CA -0.468 57.433 58.000 -0.166 0.000 1.013 413 F CB 1.822 40.599 39.000 -0.372 0.000 1.136 413 F HN 0.282 nan 8.300 nan 0.000 0.470 414 M N 1.843 121.779 119.600 0.559 0.000 2.662 414 M HA 0.313 4.793 4.480 -0.000 0.000 0.310 414 M C 0.503 177.207 176.300 0.674 0.000 1.204 414 M CA -0.623 55.025 55.300 0.580 0.000 0.891 414 M CB 2.241 35.020 32.600 0.298 0.000 1.732 414 M HN 0.573 nan 8.290 nan 0.000 0.467 415 Q N 0.687 120.753 119.800 0.443 0.000 2.515 415 Q HA -0.097 4.243 4.340 -0.000 0.000 0.212 415 Q C 0.107 176.203 176.000 0.160 0.000 0.970 415 Q CA 0.613 56.551 55.803 0.225 0.000 0.941 415 Q CB -0.116 28.672 28.738 0.084 0.000 0.998 415 Q HN 0.595 nan 8.270 nan 0.000 0.518 416 D N -1.616 118.898 120.400 0.189 0.000 2.398 416 D HA 0.092 4.732 4.640 -0.000 0.000 0.210 416 D C 1.131 177.472 176.300 0.068 0.000 1.094 416 D CA 0.535 54.591 54.000 0.094 0.000 0.839 416 D CB 0.420 41.286 40.800 0.110 0.000 0.963 416 D HN 0.184 nan 8.370 nan 0.000 0.506 417 G N -0.127 108.802 108.800 0.215 0.000 2.175 417 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.244 417 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.244 417 G C 0.488 175.706 174.900 0.530 0.000 0.982 417 G CA 0.072 45.347 45.100 0.292 0.000 0.641 417 G HN 0.795 nan 8.290 nan 0.000 0.527 418 A N -0.187 122.858 122.820 0.375 0.000 2.322 418 A HA 0.802 5.122 4.320 -0.000 0.000 0.269 418 A C 0.159 177.878 177.584 0.224 0.000 1.094 418 A CA -0.002 52.200 52.037 0.275 0.000 0.807 418 A CB 0.528 19.606 19.000 0.130 0.000 1.047 418 A HN 0.809 nan 8.150 nan 0.000 0.487 419 I N 0.968 121.592 120.570 0.089 0.000 2.498 419 I HA 0.522 4.692 4.170 -0.000 0.000 0.290 419 I C 0.141 176.155 176.117 -0.171 0.000 1.032 419 I CA -0.385 60.779 61.300 -0.226 0.000 1.073 419 I CB 1.956 39.773 38.000 -0.305 0.000 1.251 419 I HN 0.813 nan 8.210 nan 0.000 0.426 420 R N 6.189 126.537 120.500 -0.252 0.000 2.744 420 R HA 0.636 4.976 4.340 -0.000 0.000 0.279 420 R C -1.993 174.131 176.300 -0.293 0.000 0.977 420 R CA -0.720 55.250 56.100 -0.217 0.000 0.906 420 R CB 2.239 32.442 30.300 -0.160 0.000 1.197 420 R HN 0.611 nan 8.270 nan 0.000 0.463 421 L N 4.094 125.096 121.223 -0.369 0.000 2.316 421 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 421 L C -1.450 175.173 176.870 -0.411 0.000 1.006 421 L CA -0.625 53.880 54.840 -0.559 0.000 0.836 421 L CB 1.520 43.118 42.059 -0.768 0.000 1.221 421 L HN 0.732 nan 8.230 nan 0.000 0.418 422 D N 5.899 126.119 120.400 -0.299 0.000 2.192 422 D HA 0.566 5.206 4.640 -0.000 0.000 0.246 422 D C -0.301 175.959 176.300 -0.066 0.000 1.042 422 D CA -0.021 53.880 54.000 -0.164 0.000 0.847 422 D CB 2.823 43.539 40.800 -0.141 0.000 1.186 422 D HN 0.356 nan 8.370 nan 0.000 0.461 423 I N 1.220 121.745 120.570 -0.076 0.000 2.689 423 I HA 0.406 4.576 4.170 -0.000 0.000 0.299 423 I C -0.083 176.026 176.117 -0.013 0.000 1.059 423 I CA -0.802 60.459 61.300 -0.064 0.000 1.055 423 I CB 2.286 40.150 38.000 -0.228 0.000 1.243 423 I HN -0.059 nan 8.210 nan 0.000 0.425 424 R N 5.687 126.201 120.500 0.023 0.000 2.502 424 R HA 0.602 4.941 4.340 -0.000 0.000 0.300 424 R C -1.503 174.726 176.300 -0.118 0.000 0.984 424 R CA -0.806 55.282 56.100 -0.020 0.000 0.882 424 R CB 2.222 32.563 30.300 0.068 0.000 1.180 424 R HN 0.483 nan 8.270 nan 0.000 0.444 425 L N 2.200 123.308 121.223 -0.191 0.000 2.275 425 L HA 0.518 4.858 4.340 -0.000 0.000 0.288 425 L C 0.558 177.262 176.870 -0.276 0.000 1.046 425 L CA -0.232 54.407 54.840 -0.334 0.000 0.805 425 L CB 1.666 43.468 42.059 -0.428 0.000 1.193 425 L HN 0.642 nan 8.230 nan 0.000 0.426 426 T N 1.063 115.437 114.554 -0.301 0.000 2.598 426 T HA 0.838 5.188 4.350 -0.000 0.000 0.289 426 T C -0.118 174.435 174.700 -0.245 0.000 1.056 426 T CA 0.390 62.354 62.100 -0.227 0.000 1.088 426 T CB 1.567 70.327 68.868 -0.180 0.000 1.519 426 T HN 0.996 nan 8.240 nan 0.000 0.488 427 G N 0.282 108.947 108.800 -0.226 0.000 2.445 427 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.212 427 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.212 427 G C -1.205 173.551 174.900 -0.240 0.000 1.217 427 G CA -0.219 44.744 45.100 -0.228 0.000 1.002 427 G HN 0.920 nan 8.290 nan 0.000 0.574 428 I N 0.820 121.241 120.570 -0.248 0.000 2.569 428 I HA 0.445 4.614 4.170 -0.000 0.000 0.296 428 I C 0.665 176.660 176.117 -0.204 0.000 1.028 428 I CA -0.894 60.239 61.300 -0.278 0.000 1.082 428 I CB 1.847 39.557 38.000 -0.483 0.000 1.264 428 I HN 0.509 nan 8.210 nan 0.000 0.429 429 L N 5.090 126.297 121.223 -0.026 0.000 2.525 429 L HA 0.034 4.374 4.340 -0.000 0.000 0.278 429 L C 0.841 177.712 176.870 0.002 0.000 1.218 429 L CA 0.192 55.068 54.840 0.059 0.000 0.878 429 L CB -0.037 42.119 42.059 0.161 0.000 1.127 429 L HN 0.685 nan 8.230 nan 0.000 0.492 430 N N 2.290 121.028 118.700 0.063 0.000 2.497 430 N HA 0.088 4.827 4.740 -0.000 0.000 0.268 430 N C -0.704 174.878 175.510 0.120 0.000 1.171 430 N CA -0.224 52.905 53.050 0.131 0.000 0.948 430 N CB 1.041 39.613 38.487 0.142 0.000 1.069 430 N HN 0.691 nan 8.380 nan 0.000 0.460 431 T N 0.790 115.485 114.554 0.234 0.000 2.907 431 T HA 0.436 4.785 4.350 -0.000 0.000 0.292 431 T C -1.035 173.768 174.700 0.171 0.000 1.043 431 T CA -0.736 61.453 62.100 0.149 0.000 1.003 431 T CB 1.571 70.558 68.868 0.199 0.000 1.084 431 T HN 0.523 nan 8.240 nan 0.000 0.483 432 Y N 1.096 121.297 120.300 -0.164 0.000 2.605 432 Y HA 0.684 5.234 4.550 -0.000 0.000 0.343 432 Y C -0.542 175.298 175.900 -0.100 0.000 1.036 432 Y CA -2.168 55.828 58.100 -0.174 0.000 1.065 432 Y CB 1.499 39.761 38.460 -0.330 0.000 1.288 432 Y HN 0.995 nan 8.280 nan 0.000 0.481 433 I N 4.201 124.109 120.570 -1.103 0.000 2.696 433 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 433 I C -1.269 174.603 176.117 -0.407 0.000 1.129 433 I CA -0.144 60.763 61.300 -0.654 0.000 1.410 433 I CB 0.461 38.093 38.000 -0.612 0.000 1.399 433 I HN 0.606 nan 8.210 nan 0.000 0.579 434 L N 7.227 128.338 121.223 -0.187 0.000 2.385 434 L HA 0.658 4.997 4.340 -0.000 0.000 0.273 434 L C 0.057 176.899 176.870 -0.047 0.000 0.990 434 L CA -0.134 54.668 54.840 -0.065 0.000 0.821 434 L CB 1.546 43.580 42.059 -0.042 0.000 1.279 434 L HN 0.646 nan 8.230 nan 0.000 0.412 435 G N 2.266 111.063 108.800 -0.006 0.000 2.614 435 G HA2 0.079 4.039 3.960 -0.000 0.000 0.239 435 G HA3 0.079 4.039 3.960 -0.000 0.000 0.239 435 G C 0.306 175.206 174.900 -0.001 0.000 1.240 435 G CA -0.155 44.946 45.100 0.001 0.000 0.842 435 G HN 0.799 nan 8.290 nan 0.000 0.584 436 D N -0.051 120.352 120.400 0.004 0.000 2.133 436 D HA -0.080 4.559 4.640 -0.000 0.000 0.195 436 D C 1.048 177.349 176.300 0.003 0.000 0.997 436 D CA 1.267 55.272 54.000 0.009 0.000 0.840 436 D CB 0.251 41.059 40.800 0.014 0.000 0.947 436 D HN 0.347 nan 8.370 nan 0.000 0.452 437 D N 0.189 120.593 120.400 0.007 0.000 2.593 437 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 437 D C -0.191 176.116 176.300 0.012 0.000 1.257 437 D CA -0.093 53.910 54.000 0.006 0.000 0.828 437 D CB 0.313 41.117 40.800 0.007 0.000 1.049 437 D HN 0.258 nan 8.370 nan 0.000 0.490 438 E N 1.365 121.574 120.200 0.016 0.000 2.216 438 E HA 0.177 4.526 4.350 -0.000 0.000 0.279 438 E C -0.544 176.071 176.600 0.025 0.000 0.997 438 E CA -0.583 55.836 56.400 0.032 0.000 0.817 438 E CB 1.357 31.087 29.700 0.051 0.000 1.096 438 E HN -0.165 nan 8.360 nan 0.000 0.393 439 E N 2.853 123.070 120.200 0.028 0.000 2.200 439 E HA 0.256 4.606 4.350 -0.000 0.000 0.283 439 E C -0.063 176.556 176.600 0.032 0.000 1.015 439 E CA -0.016 56.391 56.400 0.013 0.000 0.819 439 E CB 1.391 31.087 29.700 -0.007 0.000 1.081 439 E HN 0.548 nan 8.360 nan 0.000 0.397 440 A N 4.367 127.204 122.820 0.027 0.000 2.259 440 A HA 0.186 4.506 4.320 -0.000 0.000 0.212 440 A C 1.384 178.988 177.584 0.035 0.000 1.178 440 A CA 0.913 52.989 52.037 0.065 0.000 0.734 440 A CB -1.576 17.453 19.000 0.049 0.000 0.774 440 A HN 1.094 nan 8.150 nan 0.000 0.481 441 G N -0.160 108.618 108.800 -0.037 0.000 2.581 441 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.289 441 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.289 441 G C -0.885 173.847 174.900 -0.280 0.000 1.303 441 G CA 0.252 45.249 45.100 -0.172 0.000 0.931 441 G HN 0.385 nan 8.290 nan 0.000 0.555 442 P HA 0.108 nan 4.420 nan 0.000 0.245 442 P C 1.077 178.123 177.300 -0.424 0.000 1.206 442 P CA 1.385 64.122 63.100 -0.606 0.000 0.781 442 P CB -0.080 31.097 31.700 -0.871 0.000 0.994 443 W N 0.444 121.787 121.300 0.072 0.000 3.077 443 W HA 0.411 5.070 4.660 -0.000 0.000 0.266 443 W C 1.036 177.640 176.519 0.142 0.000 1.300 443 W CA -0.036 57.353 57.345 0.073 0.000 1.586 443 W CB 0.179 29.623 29.460 -0.027 0.000 1.103 443 W HN -0.040 nan 8.180 nan 0.000 0.652 444 G N -0.502 108.473 108.800 0.291 0.000 2.645 444 G HA2 0.550 4.509 3.960 -0.000 0.000 0.292 444 G HA3 0.550 4.509 3.960 -0.000 0.000 0.292 444 G C -1.426 173.569 174.900 0.158 0.000 1.415 444 G CA -0.619 44.659 45.100 0.296 0.000 0.785 444 G HN -0.283 nan 8.290 nan 0.000 0.483 445 T N -0.026 114.597 114.554 0.116 0.000 2.841 445 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 445 T C -0.039 174.663 174.700 0.002 0.000 1.000 445 T CA -0.631 61.501 62.100 0.054 0.000 0.977 445 T CB 1.892 70.796 68.868 0.059 0.000 0.979 445 T HN 0.551 nan 8.240 nan 0.000 0.446 446 R N 2.825 123.315 120.500 -0.016 0.000 2.308 446 R HA 0.301 4.641 4.340 -0.000 0.000 0.325 446 R C 0.998 177.258 176.300 -0.068 0.000 1.161 446 R CA -0.260 55.807 56.100 -0.055 0.000 1.022 446 R CB -0.240 30.029 30.300 -0.052 0.000 1.091 446 R HN 0.581 nan 8.270 nan 0.000 0.497 447 V N 2.062 121.900 119.914 -0.127 0.000 3.623 447 V HA 0.242 4.362 4.120 -0.000 0.000 0.271 447 V C -0.215 175.855 176.094 -0.041 0.000 1.248 447 V CA 0.105 62.331 62.300 -0.123 0.000 1.156 447 V CB -1.032 30.624 31.823 -0.278 0.000 0.870 447 V HN 0.685 nan 8.190 nan 0.000 0.453 448 Y N -0.855 119.294 120.300 -0.251 0.000 2.638 448 Y HA 0.536 5.086 4.550 -0.000 0.000 0.334 448 Y C -3.149 172.623 175.900 -0.213 0.000 1.182 448 Y CA -2.174 55.825 58.100 -0.169 0.000 1.102 448 Y CB 1.491 39.882 38.460 -0.114 0.000 1.343 448 Y HN -0.114 nan 8.280 nan 0.000 0.463 449 P HA 0.064 nan 4.420 nan 0.000 0.260 449 P C -0.435 176.641 177.300 -0.372 0.000 1.172 449 P CA 1.257 63.968 63.100 -0.648 0.000 0.760 449 P CB 0.294 31.244 31.700 -1.249 0.000 0.773 450 N N -0.470 118.112 118.700 -0.197 0.000 2.828 450 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 450 N C -0.704 174.737 175.510 -0.115 0.000 1.044 450 N CA 0.794 53.778 53.050 -0.111 0.000 0.851 450 N CB -1.469 36.982 38.487 -0.060 0.000 1.136 450 N HN 0.185 nan 8.380 nan 0.000 0.572 451 V N 1.075 120.920 119.914 -0.115 0.000 2.495 451 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 451 V C 0.338 176.347 176.094 -0.143 0.000 1.031 451 V CA -0.818 61.403 62.300 -0.131 0.000 0.871 451 V CB 2.139 33.851 31.823 -0.184 0.000 0.988 451 V HN 0.219 nan 8.190 nan 0.000 0.432 452 N N 2.795 121.419 118.700 -0.126 0.000 2.483 452 N HA 0.650 5.390 4.740 -0.000 0.000 0.267 452 N C -0.541 174.878 175.510 -0.153 0.000 0.998 452 N CA -0.445 52.550 53.050 -0.092 0.000 0.918 452 N CB 1.348 39.829 38.487 -0.009 0.000 1.215 452 N HN 0.860 nan 8.380 nan 0.000 0.500 453 A N 3.422 126.188 122.820 -0.090 0.000 2.260 453 A HA 0.275 4.595 4.320 -0.000 0.000 0.312 453 A C -0.618 177.031 177.584 0.108 0.000 1.321 453 A CA -0.406 51.607 52.037 -0.040 0.000 0.928 453 A CB -0.085 18.895 19.000 -0.034 0.000 1.158 453 A HN 0.841 nan 8.150 nan 0.000 0.542 454 H N 2.119 121.299 119.070 0.183 0.000 2.707 454 H HA 0.088 4.644 4.556 -0.000 0.000 0.359 454 H C 0.197 175.689 175.328 0.273 0.000 1.113 454 H CA -0.548 55.647 56.048 0.245 0.000 1.422 454 H CB 0.704 30.638 29.762 0.287 0.000 1.443 454 H HN 0.668 nan 8.280 nan 0.000 0.591 455 N N 2.552 121.441 118.700 0.315 0.000 2.453 455 N HA 0.029 4.769 4.740 -0.000 0.000 0.253 455 N C -0.129 175.318 175.510 -0.105 0.000 1.252 455 N CA 0.330 53.395 53.050 0.025 0.000 0.917 455 N CB 0.485 39.022 38.487 0.084 0.000 1.117 455 N HN 0.705 nan 8.380 nan 0.000 0.442 456 H N -2.143 116.650 119.070 -0.461 0.000 2.950 456 H HA 0.325 4.881 4.556 -0.000 0.000 0.307 456 H C -1.475 173.560 175.328 -0.487 0.000 1.403 456 H CA -0.772 54.882 56.048 -0.656 0.000 1.145 456 H CB 0.894 29.807 29.762 -1.415 0.000 1.844 456 H HN 0.409 nan 8.280 nan 0.000 0.515 457 Q N 0.574 120.146 119.800 -0.379 0.000 2.387 457 Q HA 0.363 4.702 4.340 -0.000 0.000 0.273 457 Q C -0.898 174.956 176.000 -0.243 0.000 1.089 457 Q CA -0.954 54.692 55.803 -0.261 0.000 0.824 457 Q CB 2.657 31.293 28.738 -0.169 0.000 1.367 457 Q HN 0.512 nan 8.270 nan 0.000 0.443 458 H N 2.135 121.203 119.070 -0.004 0.000 2.638 458 H HA 0.420 4.975 4.556 -0.000 0.000 0.317 458 H C -0.882 174.345 175.328 -0.169 0.000 1.006 458 H CA -0.226 55.808 56.048 -0.024 0.000 1.222 458 H CB 0.792 30.669 29.762 0.192 0.000 1.419 458 H HN 0.364 nan 8.280 nan 0.000 0.489 459 L N 3.941 124.994 121.223 -0.284 0.000 2.362 459 L HA 0.469 4.808 4.340 -0.000 0.000 0.271 459 L C -0.827 175.746 176.870 -0.494 0.000 1.002 459 L CA -0.803 53.907 54.840 -0.216 0.000 0.818 459 L CB 1.443 43.487 42.059 -0.025 0.000 1.298 459 L HN 0.315 nan 8.230 nan 0.000 0.420 460 F N -0.029 119.741 119.950 -0.300 0.000 2.561 460 F HA 0.471 4.998 4.527 -0.000 0.000 0.321 460 F C 0.316 175.934 175.800 -0.303 0.000 1.065 460 F CA -0.868 56.890 58.000 -0.403 0.000 0.934 460 F CB 2.132 40.653 39.000 -0.799 0.000 1.215 460 F HN 0.235 nan 8.300 nan 0.000 0.471 461 S N 3.367 118.964 115.700 -0.173 0.000 2.577 461 S HA 0.396 4.866 4.470 -0.000 0.000 0.294 461 S C -0.922 173.728 174.600 0.084 0.000 1.161 461 S CA -0.601 57.494 58.200 -0.175 0.000 1.143 461 S CB -0.002 62.670 63.200 -0.879 0.000 0.991 461 S HN 0.648 nan 8.310 nan 0.000 0.475 462 L N 5.737 127.131 121.223 0.285 0.000 2.418 462 L HA 0.403 4.743 4.340 -0.000 0.000 0.274 462 L C 0.324 177.210 176.870 0.026 0.000 1.135 462 L CA -0.050 54.933 54.840 0.237 0.000 0.870 462 L CB 0.482 42.722 42.059 0.302 0.000 1.154 462 L HN 0.694 nan 8.230 nan 0.000 0.462 463 R N 6.490 126.896 120.500 -0.157 0.000 2.295 463 R HA 0.529 4.869 4.340 -0.000 0.000 0.324 463 R C -1.213 174.839 176.300 -0.414 0.000 0.968 463 R CA -0.562 55.203 56.100 -0.559 0.000 0.837 463 R CB 0.886 30.788 30.300 -0.665 0.000 1.133 463 R HN 0.649 nan 8.270 nan 0.000 0.450 464 I N 3.694 124.022 120.570 -0.403 0.000 2.389 464 I HA 0.170 4.339 4.170 -0.000 0.000 0.288 464 I C -0.666 175.299 176.117 -0.253 0.000 0.999 464 I CA -0.756 60.314 61.300 -0.382 0.000 1.129 464 I CB 1.911 39.638 38.000 -0.455 0.000 1.288 464 I HN 0.521 nan 8.210 nan 0.000 0.444 465 D N 9.659 129.940 120.400 -0.198 0.000 2.473 465 D HA 0.337 4.977 4.640 -0.000 0.000 0.226 465 D C -2.560 173.756 176.300 0.026 0.000 1.089 465 D CA -2.097 51.874 54.000 -0.048 0.000 0.883 465 D CB 1.472 42.276 40.800 0.007 0.000 1.029 465 D HN 0.133 nan 8.370 nan 0.000 0.517 466 P HA 0.365 nan 4.420 nan 0.000 0.279 466 P C -0.458 176.919 177.300 0.127 0.000 1.252 466 P CA -0.593 62.639 63.100 0.221 0.000 0.811 466 P CB 1.343 33.166 31.700 0.205 0.000 1.035 467 R N 1.511 122.086 120.500 0.126 0.000 2.522 467 R HA 0.252 4.592 4.340 -0.000 0.000 0.314 467 R C -0.176 176.158 176.300 0.057 0.000 1.178 467 R CA -0.276 55.862 56.100 0.064 0.000 1.294 467 R CB -0.282 30.062 30.300 0.073 0.000 1.345 467 R HN 0.281 nan 8.270 nan 0.000 0.710 468 I N 2.639 123.251 120.570 0.070 0.000 2.948 468 I HA -0.067 4.103 4.170 -0.000 0.000 0.284 468 I C 0.417 176.644 176.117 0.184 0.000 1.181 468 I CA 1.129 62.508 61.300 0.133 0.000 1.372 468 I CB -0.475 37.640 38.000 0.191 0.000 1.443 468 I HN 0.625 nan 8.210 nan 0.000 0.554 469 D N 4.853 125.399 120.400 0.244 0.000 2.837 469 D HA -0.150 4.490 4.640 -0.000 0.000 0.230 469 D C 0.535 176.857 176.300 0.037 0.000 1.152 469 D CA 1.640 55.698 54.000 0.097 0.000 0.736 469 D CB -0.693 40.045 40.800 -0.104 0.000 1.084 469 D HN 1.175 nan 8.370 nan 0.000 0.429 470 G N -1.135 107.696 108.800 0.053 0.000 2.331 470 G HA2 0.034 3.994 3.960 -0.000 0.000 0.479 470 G HA3 0.034 3.994 3.960 -0.000 0.000 0.479 470 G C -1.280 173.630 174.900 0.016 0.000 1.262 470 G CA -0.246 44.869 45.100 0.025 0.000 1.029 470 G HN 0.179 nan 8.290 nan 0.000 0.487 471 D N 0.580 120.979 120.400 -0.002 0.000 2.225 471 D HA 0.545 5.185 4.640 -0.000 0.000 0.249 471 D C 0.749 177.041 176.300 -0.013 0.000 1.052 471 D CA 1.230 55.220 54.000 -0.017 0.000 0.909 471 D CB 1.352 42.134 40.800 -0.030 0.000 1.186 471 D HN 2.029 nan 8.370 nan 0.000 0.431 472 G N 1.422 110.210 108.800 -0.020 0.000 2.780 472 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.364 472 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.364 472 G C -0.713 174.165 174.900 -0.037 0.000 1.045 472 G CA -0.790 44.298 45.100 -0.019 0.000 1.202 472 G HN 0.404 nan 8.290 nan 0.000 0.534 473 N N -0.375 118.291 118.700 -0.058 0.000 2.545 473 N HA 0.894 5.634 4.740 -0.000 0.000 0.289 473 N C -0.083 175.297 175.510 -0.217 0.000 1.279 473 N CA -0.295 52.680 53.050 -0.126 0.000 0.824 473 N CB 2.112 40.565 38.487 -0.057 0.000 1.395 473 N HN 0.484 nan 8.380 nan 0.000 0.526 474 S N -0.870 114.544 115.700 -0.478 0.000 2.638 474 S HA 0.916 5.386 4.470 -0.000 0.000 0.274 474 S C -1.318 172.995 174.600 -0.479 0.000 1.157 474 S CA -0.745 57.148 58.200 -0.511 0.000 0.826 474 S CB 1.922 64.664 63.200 -0.763 0.000 1.139 474 S HN 0.718 nan 8.310 nan 0.000 0.474 475 A N 0.209 122.979 122.820 -0.084 0.000 2.469 475 A HA 1.017 5.337 4.320 -0.000 0.000 0.299 475 A C -0.915 176.669 177.584 0.001 0.000 1.098 475 A CA -0.534 51.630 52.037 0.211 0.000 0.737 475 A CB 1.546 20.890 19.000 0.572 0.000 1.312 475 A HN 1.506 nan 8.150 nan 0.000 0.414 476 A N -0.302 122.496 122.820 -0.036 0.000 2.606 476 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 476 A C -0.412 177.025 177.584 -0.244 0.000 1.082 476 A CA 0.027 51.791 52.037 -0.456 0.000 0.685 476 A CB 0.973 19.970 19.000 -0.004 0.000 1.284 476 A HN 2.458 nan 8.150 nan 0.000 0.408 477 A N -0.230 122.417 122.820 -0.288 0.000 2.312 477 A HA 0.624 4.944 4.320 -0.000 0.000 0.326 477 A C -0.450 177.057 177.584 -0.128 0.000 1.172 477 A CA -0.358 51.631 52.037 -0.079 0.000 0.821 477 A CB 0.404 19.483 19.000 0.130 0.000 1.166 477 A HN 1.261 nan 8.150 nan 0.000 0.493 478 C N 2.357 121.539 119.300 -0.196 0.000 2.316 478 C HA 0.586 5.046 4.460 -0.000 0.000 0.324 478 C C -0.889 174.000 174.990 -0.168 0.000 1.226 478 C CA -0.837 58.099 59.018 -0.136 0.000 1.450 478 C CB 0.097 27.785 27.740 -0.087 0.000 2.123 478 C HN 0.794 nan 8.230 nan 0.000 0.454 479 D N 2.256 122.571 120.400 -0.143 0.000 2.375 479 D HA 0.491 5.131 4.640 -0.000 0.000 0.247 479 D C -0.285 175.898 176.300 -0.195 0.000 1.061 479 D CA 0.061 53.962 54.000 -0.166 0.000 0.834 479 D CB 2.227 42.941 40.800 -0.144 0.000 1.247 479 D HN 0.644 nan 8.370 nan 0.000 0.489 480 A N 2.971 125.676 122.820 -0.192 0.000 2.409 480 A HA 0.395 4.714 4.320 -0.000 0.000 0.262 480 A C 0.113 177.532 177.584 -0.275 0.000 1.113 480 A CA -0.037 51.867 52.037 -0.222 0.000 0.790 480 A CB 0.406 19.280 19.000 -0.211 0.000 1.046 480 A HN 0.402 nan 8.150 nan 0.000 0.496 481 K N 2.073 122.245 120.400 -0.381 0.000 2.464 481 K HA 0.446 4.766 4.320 -0.000 0.000 0.253 481 K C -0.768 175.768 176.600 -0.106 0.000 0.933 481 K CA -0.643 55.456 56.287 -0.314 0.000 0.801 481 K CB 2.221 34.460 32.500 -0.434 0.000 1.271 481 K HN 0.611 nan 8.250 nan 0.000 0.430 482 S N 0.942 116.666 115.700 0.039 0.000 2.593 482 S HA 0.052 4.521 4.470 -0.000 0.000 0.269 482 S C 0.387 175.175 174.600 0.313 0.000 1.334 482 S CA -0.384 57.928 58.200 0.187 0.000 1.015 482 S CB 1.117 64.388 63.200 0.118 0.000 0.912 482 S HN 0.615 nan 8.310 nan 0.000 0.541 483 S N 2.364 118.280 115.700 0.359 0.000 2.568 483 S HA 0.111 4.581 4.470 -0.000 0.000 0.282 483 S C -1.236 173.504 174.600 0.233 0.000 1.338 483 S CA -1.110 57.301 58.200 0.351 0.000 1.045 483 S CB 0.292 63.663 63.200 0.284 0.000 0.873 483 S HN 0.543 nan 8.310 nan 0.000 0.516 484 P HA 0.001 nan 4.420 nan 0.000 0.225 484 P C -0.259 176.965 177.300 -0.126 0.000 1.156 484 P CA 0.725 63.806 63.100 -0.032 0.000 0.787 484 P CB -0.120 31.488 31.700 -0.154 0.000 0.802 485 Y N 2.403 122.726 120.300 0.039 0.000 2.346 485 Y HA 0.202 4.752 4.550 -0.000 0.000 0.330 485 Y C -1.368 174.550 175.900 0.030 0.000 1.178 485 Y CA -2.269 55.845 58.100 0.023 0.000 1.331 485 Y CB -0.391 38.075 38.460 0.010 0.000 1.253 485 Y HN 0.033 nan 8.280 nan 0.000 0.529 486 P HA 0.075 nan 4.420 nan 0.000 0.278 486 P C -0.421 176.928 177.300 0.082 0.000 1.266 486 P CA -0.581 62.575 63.100 0.094 0.000 0.807 486 P CB 1.209 32.943 31.700 0.056 0.000 1.094 487 L N 0.529 121.784 121.223 0.053 0.000 2.543 487 L HA 0.055 4.394 4.340 -0.000 0.000 0.285 487 L C 1.581 178.446 176.870 -0.009 0.000 1.236 487 L CA 1.857 56.712 54.840 0.024 0.000 0.871 487 L CB -0.704 41.369 42.059 0.022 0.000 1.121 487 L HN 0.915 nan 8.230 nan 0.000 0.501 488 G N 2.283 111.045 108.800 -0.064 0.000 2.179 488 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.260 488 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.260 488 G C 0.271 175.135 174.900 -0.060 0.000 0.977 488 G CA 0.433 45.480 45.100 -0.089 0.000 0.641 488 G HN 0.896 nan 8.290 nan 0.000 0.533 489 S N 0.040 115.726 115.700 -0.022 0.000 2.610 489 S HA 0.658 5.128 4.470 -0.000 0.000 0.273 489 S C -0.899 173.671 174.600 -0.050 0.000 1.274 489 S CA -0.750 57.448 58.200 -0.002 0.000 1.023 489 S CB 2.365 65.615 63.200 0.084 0.000 0.962 489 S HN -0.033 nan 8.310 nan 0.000 0.523 490 P HA -0.096 nan 4.420 nan 0.000 0.217 490 P C 0.668 177.894 177.300 -0.123 0.000 1.148 490 P CA 1.241 64.289 63.100 -0.085 0.000 0.828 490 P CB -0.009 31.644 31.700 -0.079 0.000 0.783 491 E N -2.005 118.076 120.200 -0.198 0.000 2.371 491 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 491 E C 0.713 177.224 176.600 -0.148 0.000 1.012 491 E CA 0.511 56.726 56.400 -0.309 0.000 0.860 491 E CB -0.280 28.910 29.700 -0.850 0.000 0.811 491 E HN 0.096 nan 8.360 nan 0.000 0.502 492 N N -0.311 118.361 118.700 -0.046 0.000 2.620 492 N HA 0.074 4.814 4.740 -0.000 0.000 0.277 492 N C 0.224 175.742 175.510 0.013 0.000 1.726 492 N CA -0.015 53.055 53.050 0.034 0.000 0.840 492 N CB 0.002 38.555 38.487 0.110 0.000 1.379 492 N HN -0.067 nan 8.380 nan 0.000 0.506 493 M N 0.304 119.877 119.600 -0.044 0.000 2.103 493 M HA -0.136 4.343 4.480 -0.000 0.000 0.255 493 M C 0.235 176.329 176.300 -0.344 0.000 1.074 493 M CA 2.096 57.263 55.300 -0.222 0.000 1.090 493 M CB -0.340 32.058 32.600 -0.337 0.000 1.325 493 M HN 0.379 nan 8.290 nan 0.000 0.403 494 Y N -0.706 119.607 120.300 0.021 0.000 2.485 494 Y HA 0.448 4.998 4.550 -0.000 0.000 0.260 494 Y C 1.447 177.373 175.900 0.042 0.000 1.173 494 Y CA 0.044 58.161 58.100 0.028 0.000 1.252 494 Y CB -0.403 38.070 38.460 0.022 0.000 1.123 494 Y HN 0.433 nan 8.280 nan 0.000 0.524 495 G N 1.681 110.567 108.800 0.144 0.000 2.249 495 G HA2 -0.376 3.583 3.960 -0.000 0.000 0.273 495 G HA3 -0.376 3.583 3.960 -0.000 0.000 0.273 495 G C 0.825 175.819 174.900 0.156 0.000 1.036 495 G CA 0.785 45.964 45.100 0.131 0.000 0.824 495 G HN 0.589 nan 8.290 nan 0.000 0.504 496 N N -0.430 118.373 118.700 0.171 0.000 2.254 496 N HA 0.380 5.120 4.740 -0.000 0.000 0.190 496 N C 1.045 176.677 175.510 0.202 0.000 1.107 496 N CA 0.641 53.799 53.050 0.181 0.000 0.869 496 N CB 0.078 38.649 38.487 0.140 0.000 0.983 496 N HN 0.963 nan 8.380 nan 0.000 0.487 497 A N 1.055 123.971 122.820 0.161 0.000 2.511 497 A HA 0.427 4.747 4.320 -0.000 0.000 0.242 497 A C -0.445 177.307 177.584 0.280 0.000 1.069 497 A CA -0.111 52.004 52.037 0.129 0.000 0.763 497 A CB -0.546 18.521 19.000 0.112 0.000 1.001 497 A HN 0.483 nan 8.150 nan 0.000 0.498 498 F N 0.796 120.842 119.950 0.159 0.000 2.678 498 F HA 0.710 5.236 4.527 -0.000 0.000 0.308 498 F C -1.126 174.814 175.800 0.233 0.000 1.118 498 F CA -1.568 56.542 58.000 0.183 0.000 0.959 498 F CB 0.640 39.677 39.000 0.061 0.000 1.305 498 F HN 0.782 nan 8.300 nan 0.000 0.443 499 Y N -0.279 120.225 120.300 0.340 0.000 2.818 499 Y HA 0.820 5.370 4.550 -0.000 0.000 0.322 499 Y C -1.359 174.664 175.900 0.205 0.000 1.323 499 Y CA -1.818 56.396 58.100 0.190 0.000 1.090 499 Y CB 0.872 39.378 38.460 0.076 0.000 1.328 499 Y HN 0.809 nan 8.280 nan 0.000 0.482 500 S N 0.486 116.209 115.700 0.037 0.000 2.456 500 S HA 0.298 4.768 4.470 -0.000 0.000 0.316 500 S C -1.056 173.531 174.600 -0.021 0.000 1.089 500 S CA -0.593 57.563 58.200 -0.073 0.000 1.101 500 S CB 0.301 63.517 63.200 0.026 0.000 0.995 500 S HN 0.695 nan 8.310 nan 0.000 0.468 501 E N 3.968 124.080 120.200 -0.147 0.000 2.152 501 E HA 0.193 4.543 4.350 -0.000 0.000 0.285 501 E C -0.518 176.082 176.600 0.001 0.000 1.043 501 E CA -0.372 56.042 56.400 0.024 0.000 0.839 501 E CB 0.508 30.205 29.700 -0.006 0.000 1.069 501 E HN 0.477 nan 8.360 nan 0.000 0.399 502 K N 3.593 124.005 120.400 0.021 0.000 2.234 502 K HA 0.213 4.533 4.320 -0.000 0.000 0.277 502 K C -1.180 175.413 176.600 -0.011 0.000 1.038 502 K CA -0.325 55.944 56.287 -0.031 0.000 0.888 502 K CB 1.152 33.606 32.500 -0.076 0.000 1.091 502 K HN 0.394 nan 8.250 nan 0.000 0.467 503 T N 3.181 117.721 114.554 -0.024 0.000 2.963 503 T HA 0.067 4.417 4.350 -0.000 0.000 0.343 503 T C -0.195 174.459 174.700 -0.077 0.000 1.146 503 T CA -0.519 61.590 62.100 0.016 0.000 1.016 503 T CB 0.792 69.716 68.868 0.094 0.000 1.046 503 T HN 0.646 nan 8.240 nan 0.000 0.496 504 T N 2.080 116.627 114.554 -0.010 0.000 2.832 504 T HA 0.500 4.849 4.350 -0.000 0.000 0.296 504 T C -0.039 174.715 174.700 0.089 0.000 0.968 504 T CA -0.654 61.438 62.100 -0.014 0.000 1.107 504 T CB -0.141 68.860 68.868 0.222 0.000 0.916 504 T HN 0.204 nan 8.240 nan 0.000 0.517 505 F N 3.525 123.595 119.950 0.199 0.000 2.504 505 F HA 0.386 4.913 4.527 -0.000 0.000 0.369 505 F C 1.393 177.259 175.800 0.110 0.000 1.082 505 F CA -0.967 57.116 58.000 0.139 0.000 1.216 505 F CB 0.575 39.655 39.000 0.133 0.000 1.108 505 F HN 0.703 nan 8.300 nan 0.000 0.554 506 K N 0.266 120.831 120.400 0.275 0.000 2.287 506 K HA 0.117 4.437 4.320 -0.000 0.000 0.199 506 K C 0.516 177.197 176.600 0.136 0.000 1.061 506 K CA 0.619 57.008 56.287 0.171 0.000 0.976 506 K CB 0.430 33.010 32.500 0.132 0.000 0.898 506 K HN 0.574 nan 8.250 nan 0.000 0.492 507 T N -0.282 114.348 114.554 0.127 0.000 2.907 507 T HA 0.163 4.513 4.350 -0.000 0.000 0.292 507 T C 1.105 175.829 174.700 0.041 0.000 1.043 507 T CA -0.659 61.486 62.100 0.075 0.000 1.003 507 T CB 2.015 70.917 68.868 0.056 0.000 1.084 507 T HN -0.265 nan 8.240 nan 0.000 0.483 508 V N 3.297 123.223 119.914 0.020 0.000 2.277 508 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 508 V C 2.671 178.706 176.094 -0.097 0.000 1.067 508 V CA 2.012 64.298 62.300 -0.024 0.000 1.047 508 V CB -0.502 31.319 31.823 -0.002 0.000 0.649 508 V HN 0.834 nan 8.190 nan 0.000 0.447 509 K N -0.367 119.991 120.400 -0.069 0.000 2.160 509 K HA -0.258 4.062 4.320 -0.000 0.000 0.206 509 K C 1.768 178.282 176.600 -0.144 0.000 1.047 509 K CA 1.900 58.128 56.287 -0.098 0.000 0.930 509 K CB -0.269 32.205 32.500 -0.044 0.000 0.720 509 K HN 0.541 nan 8.250 nan 0.000 0.450 510 D N -0.103 120.231 120.400 -0.109 0.000 2.178 510 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 510 D C 1.936 177.918 176.300 -0.529 0.000 0.974 510 D CA 1.423 55.362 54.000 -0.102 0.000 0.841 510 D CB -0.064 40.816 40.800 0.133 0.000 0.953 510 D HN 0.333 nan 8.370 nan 0.000 0.478 511 S N 0.360 115.564 115.700 -0.827 0.000 2.428 511 S HA -0.055 4.414 4.470 -0.000 0.000 0.230 511 S C 1.362 175.473 174.600 -0.815 0.000 1.014 511 S CA -0.018 57.278 58.200 -1.506 0.000 0.957 511 S CB -0.588 62.117 63.200 -0.826 0.000 0.784 511 S HN 0.190 nan 8.310 nan 0.000 0.499 512 L N 3.856 124.748 121.223 -0.553 0.000 2.583 512 L HA 0.178 4.518 4.340 -0.000 0.000 0.280 512 L C 0.419 177.075 176.870 -0.357 0.000 1.261 512 L CA -0.137 54.329 54.840 -0.624 0.000 1.164 512 L CB -1.446 40.089 42.059 -0.874 0.000 1.402 512 L HN 0.439 nan 8.230 nan 0.000 0.443 513 T N -1.478 113.032 114.554 -0.074 0.000 2.916 513 T HA 0.561 4.911 4.350 -0.000 0.000 0.292 513 T C -0.214 174.748 174.700 0.437 0.000 1.064 513 T CA -1.074 61.177 62.100 0.253 0.000 1.011 513 T CB 2.554 71.697 68.868 0.457 0.000 1.152 513 T HN 0.182 nan 8.240 nan 0.000 0.510 514 N N -0.218 118.765 118.700 0.471 0.000 2.328 514 N HA 0.359 5.098 4.740 -0.000 0.000 0.299 514 N C -1.475 174.408 175.510 0.621 0.000 1.179 514 N CA -0.682 52.669 53.050 0.502 0.000 0.793 514 N CB 1.388 40.062 38.487 0.311 0.000 1.366 514 N HN 0.780 nan 8.380 nan 0.000 0.493 515 Y N 1.011 121.666 120.300 0.592 0.000 2.425 515 Y HA 0.096 4.646 4.550 -0.000 0.000 0.331 515 Y C -0.290 175.740 175.900 0.216 0.000 1.157 515 Y CA 0.370 58.749 58.100 0.465 0.000 1.372 515 Y CB 0.546 39.317 38.460 0.517 0.000 1.253 515 Y HN 0.281 nan 8.280 nan 0.000 0.536 516 E N 3.787 123.512 120.200 -0.792 0.000 2.185 516 E HA 0.142 4.492 4.350 -0.000 0.000 0.261 516 E C 0.433 176.531 176.600 -0.836 0.000 0.879 516 E CA -0.032 56.019 56.400 -0.582 0.000 0.756 516 E CB 1.677 31.204 29.700 -0.289 0.000 1.152 516 E HN 0.813 nan 8.360 nan 0.000 0.416 517 S N 1.824 117.208 115.700 -0.528 0.000 2.402 517 S HA -0.145 4.325 4.470 -0.000 0.000 0.229 517 S C 1.880 176.374 174.600 -0.178 0.000 1.021 517 S CA 0.871 58.912 58.200 -0.265 0.000 0.974 517 S CB -0.108 63.080 63.200 -0.020 0.000 0.800 517 S HN 0.492 nan 8.310 nan 0.000 0.484 518 A N 1.896 124.619 122.820 -0.163 0.000 2.076 518 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 518 A C 2.267 179.768 177.584 -0.139 0.000 1.160 518 A CA 1.879 53.845 52.037 -0.120 0.000 0.653 518 A CB -1.021 17.922 19.000 -0.094 0.000 0.801 518 A HN 0.808 nan 8.150 nan 0.000 0.455 519 T N -5.426 109.018 114.554 -0.184 0.000 3.091 519 T HA 0.437 4.787 4.350 -0.000 0.000 0.277 519 T C 1.045 175.640 174.700 -0.176 0.000 0.996 519 T CA 0.871 62.863 62.100 -0.179 0.000 0.897 519 T CB -0.065 68.696 68.868 -0.178 0.000 1.109 519 T HN 1.644 nan 8.240 nan 0.000 0.534 520 G N 2.849 111.552 108.800 -0.161 0.000 2.395 520 G HA2 -0.344 3.615 3.960 -0.000 0.000 0.300 520 G HA3 -0.344 3.615 3.960 -0.000 0.000 0.300 520 G C 0.022 174.897 174.900 -0.042 0.000 0.998 520 G CA 0.339 45.413 45.100 -0.043 0.000 1.046 520 G HN 0.949 nan 8.290 nan 0.000 0.513 521 R N -0.027 120.362 120.500 -0.185 0.000 2.585 521 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 521 R C 0.769 176.927 176.300 -0.237 0.000 1.018 521 R CA 0.747 56.678 56.100 -0.282 0.000 1.072 521 R CB 0.293 30.304 30.300 -0.482 0.000 0.953 521 R HN 0.659 nan 8.270 nan 0.000 0.419 522 S N 3.647 119.121 115.700 -0.378 0.000 2.661 522 S HA 0.605 5.075 4.470 -0.000 0.000 0.285 522 S C -1.197 173.209 174.600 -0.323 0.000 1.138 522 S CA -1.028 57.036 58.200 -0.226 0.000 0.855 522 S CB 1.408 64.605 63.200 -0.006 0.000 1.136 522 S HN 0.637 nan 8.310 nan 0.000 0.484 523 W N 0.496 121.900 121.300 0.173 0.000 2.819 523 W HA 0.453 5.112 4.660 -0.000 0.000 0.337 523 W C -1.361 175.259 176.519 0.168 0.000 1.077 523 W CA -0.442 57.041 57.345 0.229 0.000 1.226 523 W CB 2.130 31.851 29.460 0.436 0.000 1.419 523 W HN 0.625 nan 8.180 nan 0.000 0.502 524 D N 1.967 122.606 120.400 0.398 0.000 2.256 524 D HA 0.532 5.171 4.640 -0.000 0.000 0.246 524 D C -0.507 176.054 176.300 0.434 0.000 1.042 524 D CA -0.362 53.844 54.000 0.343 0.000 0.841 524 D CB 2.161 43.123 40.800 0.270 0.000 1.223 524 D HN 0.085 nan 8.370 nan 0.000 0.470 525 I N 3.225 124.000 120.570 0.341 0.000 2.382 525 I HA 0.415 4.585 4.170 -0.000 0.000 0.286 525 I C -0.692 175.624 176.117 0.331 0.000 1.002 525 I CA -0.899 60.548 61.300 0.245 0.000 1.135 525 I CB 0.496 38.563 38.000 0.111 0.000 1.288 525 I HN 0.234 nan 8.210 nan 0.000 0.448 526 F N 3.245 123.277 119.950 0.138 0.000 2.650 526 F HA 0.515 5.042 4.527 -0.000 0.000 0.320 526 F C -0.836 175.023 175.800 0.099 0.000 1.091 526 F CA -1.349 56.724 58.000 0.122 0.000 0.962 526 F CB 1.408 40.459 39.000 0.085 0.000 1.363 526 F HN 0.263 nan 8.300 nan 0.000 0.482 527 N N 2.303 121.164 118.700 0.270 0.000 2.609 527 N HA 0.366 5.106 4.740 -0.000 0.000 0.234 527 N C -1.998 173.653 175.510 0.234 0.000 1.001 527 N CA -2.168 50.964 53.050 0.135 0.000 0.926 527 N CB 1.218 39.764 38.487 0.099 0.000 1.130 527 N HN 0.374 nan 8.380 nan 0.000 0.510 528 P HA -0.083 nan 4.420 nan 0.000 0.234 528 P C -0.106 177.270 177.300 0.127 0.000 1.167 528 P CA 0.895 64.153 63.100 0.263 0.000 0.763 528 P CB 0.285 32.123 31.700 0.229 0.000 0.835 529 N N -0.143 118.605 118.700 0.079 0.000 2.398 529 N HA 0.053 4.793 4.740 -0.000 0.000 0.188 529 N C 0.502 176.027 175.510 0.025 0.000 1.122 529 N CA 0.539 53.614 53.050 0.041 0.000 0.866 529 N CB 0.471 38.971 38.487 0.023 0.000 0.970 529 N HN 0.348 nan 8.380 nan 0.000 0.462 530 K N 0.114 120.534 120.400 0.032 0.000 2.444 530 K HA 0.622 4.942 4.320 -0.000 0.000 0.252 530 K C -1.031 175.567 176.600 -0.004 0.000 0.993 530 K CA -0.723 55.563 56.287 -0.003 0.000 0.847 530 K CB 3.005 35.485 32.500 -0.034 0.000 1.340 530 K HN -0.308 nan 8.250 nan 0.000 0.446 531 V N 0.624 120.520 119.914 -0.030 0.000 2.841 531 V HA 0.297 4.417 4.120 -0.000 0.000 0.310 531 V C -0.647 175.418 176.094 -0.049 0.000 1.090 531 V CA -1.186 61.095 62.300 -0.033 0.000 0.930 531 V CB 1.838 33.647 31.823 -0.024 0.000 1.014 531 V HN 0.758 nan 8.190 nan 0.000 0.425 532 N N 4.918 123.598 118.700 -0.033 0.000 2.470 532 N HA 0.192 4.932 4.740 -0.000 0.000 0.268 532 N C -1.515 173.983 175.510 -0.021 0.000 1.136 532 N CA -1.409 51.623 53.050 -0.031 0.000 0.961 532 N CB 2.132 40.656 38.487 0.063 0.000 1.067 532 N HN 0.407 nan 8.380 nan 0.000 0.468 533 P HA -0.121 nan 4.420 nan 0.000 0.222 533 P C 0.519 177.894 177.300 0.124 0.000 1.147 533 P CA 1.240 64.315 63.100 -0.041 0.000 0.790 533 P CB 0.185 31.798 31.700 -0.144 0.000 0.780 534 Y N 0.903 121.213 120.300 0.016 0.000 2.222 534 Y HA -0.003 4.547 4.550 -0.000 0.000 0.290 534 Y C 2.914 178.832 175.900 0.029 0.000 1.123 534 Y CA 0.934 59.044 58.100 0.018 0.000 1.120 534 Y CB -1.409 37.063 38.460 0.020 0.000 1.060 534 Y HN 0.038 nan 8.280 nan 0.000 0.508 535 S N -0.792 115.062 115.700 0.257 0.000 2.453 535 S HA 0.123 4.593 4.470 -0.000 0.000 0.231 535 S C 1.898 176.547 174.600 0.082 0.000 1.005 535 S CA 0.926 59.239 58.200 0.187 0.000 0.949 535 S CB -0.471 62.938 63.200 0.348 0.000 0.774 535 S HN 0.695 nan 8.310 nan 0.000 0.510 536 G N 0.810 109.645 108.800 0.058 0.000 2.179 536 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 536 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 536 G C -0.014 174.845 174.900 -0.067 0.000 0.977 536 G CA 0.409 45.508 45.100 -0.002 0.000 0.641 536 G HN 0.538 nan 8.290 nan 0.000 0.533 537 K N 0.868 121.189 120.400 -0.130 0.000 2.095 537 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 537 K C -2.231 174.268 176.600 -0.168 0.000 0.977 537 K CA -2.412 53.708 56.287 -0.278 0.000 0.900 537 K CB 1.291 33.348 32.500 -0.739 0.000 1.060 537 K HN 0.156 nan 8.250 nan 0.000 0.449 538 P HA 0.185 nan 4.420 nan 0.000 0.274 538 P C -2.524 174.798 177.300 0.037 0.000 1.237 538 P CA -1.444 61.644 63.100 -0.021 0.000 0.793 538 P CB -0.288 31.454 31.700 0.070 0.000 0.977 539 P HA 0.075 nan 4.420 nan 0.000 0.271 539 P C -0.238 177.234 177.300 0.287 0.000 1.216 539 P CA 0.417 63.579 63.100 0.103 0.000 0.776 539 P CB 0.495 32.127 31.700 -0.115 0.000 0.881 540 S N 1.778 117.694 115.700 0.359 0.000 2.615 540 S HA 0.569 5.039 4.470 -0.000 0.000 0.269 540 S C -1.953 172.781 174.600 0.224 0.000 1.161 540 S CA -0.664 57.749 58.200 0.355 0.000 0.817 540 S CB 1.019 64.397 63.200 0.296 0.000 1.131 540 S HN 0.252 nan 8.310 nan 0.000 0.467 541 Y N 1.094 121.452 120.300 0.098 0.000 2.350 541 Y HA 0.593 5.142 4.550 -0.000 0.000 0.338 541 Y C 0.017 175.964 175.900 0.079 0.000 0.961 541 Y CA -0.481 57.627 58.100 0.014 0.000 1.100 541 Y CB 1.961 40.387 38.460 -0.056 0.000 1.179 541 Y HN 0.871 nan 8.280 nan 0.000 0.454 542 K N 4.549 124.991 120.400 0.071 0.000 2.185 542 K HA 0.465 4.785 4.320 -0.000 0.000 0.269 542 K C -1.423 175.237 176.600 0.099 0.000 0.987 542 K CA -0.893 55.457 56.287 0.104 0.000 0.865 542 K CB 0.913 33.453 32.500 0.066 0.000 1.090 542 K HN 0.636 nan 8.250 nan 0.000 0.450 543 L N 5.803 127.103 121.223 0.128 0.000 2.325 543 L HA 0.229 4.568 4.340 -0.000 0.000 0.284 543 L C -1.295 175.669 176.870 0.157 0.000 1.089 543 L CA 0.009 54.898 54.840 0.080 0.000 0.836 543 L CB 1.084 43.148 42.059 0.008 0.000 1.184 543 L HN 0.393 nan 8.230 nan 0.000 0.444 544 V N 5.149 125.104 119.914 0.067 0.000 2.275 544 V HA 0.474 4.593 4.120 -0.000 0.000 0.272 544 V C 0.081 176.188 176.094 0.022 0.000 1.028 544 V CA -0.173 62.165 62.300 0.063 0.000 0.810 544 V CB 0.651 32.488 31.823 0.023 0.000 1.043 544 V HN 0.854 nan 8.190 nan 0.000 0.453 545 S N 2.820 118.566 115.700 0.077 0.000 2.538 545 S HA 0.596 5.066 4.470 -0.000 0.000 0.288 545 S C 0.385 174.931 174.600 -0.089 0.000 1.108 545 S CA -0.186 58.042 58.200 0.048 0.000 0.971 545 S CB 2.256 65.562 63.200 0.177 0.000 1.041 545 S HN 0.624 nan 8.310 nan 0.000 0.483 546 T N 2.834 117.283 114.554 -0.176 0.000 2.969 546 T HA 0.243 4.592 4.350 -0.000 0.000 0.258 546 T C 0.048 174.638 174.700 -0.183 0.000 0.962 546 T CA 0.169 61.998 62.100 -0.451 0.000 0.903 546 T CB 0.132 68.827 68.868 -0.289 0.000 1.177 546 T HN 0.651 nan 8.240 nan 0.000 0.511 547 Q N 1.273 121.079 119.800 0.010 0.000 3.027 547 Q HA 0.271 4.611 4.340 -0.000 0.000 0.260 547 Q C -0.888 175.235 176.000 0.204 0.000 1.379 547 Q CA -0.257 55.614 55.803 0.114 0.000 1.038 547 Q CB -0.302 28.520 28.738 0.139 0.000 1.578 547 Q HN 0.336 nan 8.270 nan 0.000 0.571 548 C N 2.880 122.299 119.300 0.197 0.000 2.439 548 C HA 0.362 4.822 4.460 -0.000 0.000 0.298 548 C C -2.055 173.078 174.990 0.238 0.000 1.094 548 C CA -1.939 57.237 59.018 0.263 0.000 1.609 548 C CB -0.810 27.165 27.740 0.390 0.000 1.723 548 C HN 0.525 nan 8.230 nan 0.000 0.423 549 P HA 0.269 nan 4.420 nan 0.000 0.275 549 P C -2.252 175.109 177.300 0.102 0.000 1.227 549 P CA -0.802 62.377 63.100 0.130 0.000 0.781 549 P CB 0.085 31.838 31.700 0.088 0.000 0.906 550 P HA 0.136 nan 4.420 nan 0.000 0.277 550 P C -0.677 176.618 177.300 -0.009 0.000 1.240 550 P CA -0.500 62.627 63.100 0.045 0.000 0.798 550 P CB 0.607 32.336 31.700 0.050 0.000 0.979 551 L N 3.073 124.257 121.223 -0.064 0.000 2.433 551 L HA 0.053 4.393 4.340 -0.000 0.000 0.275 551 L C 1.098 177.915 176.870 -0.088 0.000 1.128 551 L CA 0.371 55.145 54.840 -0.110 0.000 0.875 551 L CB -0.587 41.361 42.059 -0.184 0.000 1.171 551 L HN 0.322 nan 8.230 nan 0.000 0.463 552 L N 4.876 126.057 121.223 -0.071 0.000 2.313 552 L HA 0.125 4.465 4.340 -0.000 0.000 0.214 552 L C 1.369 178.198 176.870 -0.068 0.000 1.119 552 L CA 0.391 55.205 54.840 -0.043 0.000 0.809 552 L CB -0.490 41.562 42.059 -0.011 0.000 0.933 552 L HN 0.834 nan 8.230 nan 0.000 0.449 553 A N 0.611 123.366 122.820 -0.109 0.000 2.477 553 A HA 0.178 4.498 4.320 -0.000 0.000 0.246 553 A C 0.267 177.773 177.584 -0.129 0.000 1.078 553 A CA -0.221 51.737 52.037 -0.131 0.000 0.770 553 A CB 0.130 19.025 19.000 -0.175 0.000 1.011 553 A HN 0.050 nan 8.150 nan 0.000 0.494 554 K N 1.442 121.772 120.400 -0.116 0.000 2.397 554 K HA 0.107 4.427 4.320 -0.000 0.000 0.265 554 K C 0.285 176.809 176.600 -0.128 0.000 0.982 554 K CA 0.491 56.715 56.287 -0.105 0.000 0.931 554 K CB 0.300 32.746 32.500 -0.091 0.000 0.943 554 K HN 0.772 nan 8.250 nan 0.000 0.501 555 E N 0.270 120.402 120.200 -0.114 0.000 2.392 555 E HA 0.171 4.521 4.350 -0.000 0.000 0.264 555 E C 0.792 177.317 176.600 -0.126 0.000 1.024 555 E CA 0.423 56.748 56.400 -0.125 0.000 0.903 555 E CB 0.425 30.064 29.700 -0.101 0.000 0.963 555 E HN 0.763 nan 8.360 nan 0.000 0.432 556 G N 2.273 110.985 108.800 -0.147 0.000 2.199 556 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 556 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 556 G C 0.429 175.228 174.900 -0.169 0.000 0.982 556 G CA 0.374 45.386 45.100 -0.148 0.000 0.632 556 G HN 0.701 nan 8.290 nan 0.000 0.529 557 S N -0.267 115.324 115.700 -0.182 0.000 2.614 557 S HA 0.641 5.110 4.470 -0.000 0.000 0.265 557 S C 1.623 176.067 174.600 -0.260 0.000 1.303 557 S CA -0.051 58.029 58.200 -0.199 0.000 1.000 557 S CB 1.572 64.654 63.200 -0.197 0.000 0.935 557 S HN 0.430 nan 8.310 nan 0.000 0.551 558 L N 1.122 122.179 121.223 -0.276 0.000 1.990 558 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 558 L C 2.624 179.223 176.870 -0.451 0.000 1.072 558 L CA 1.517 56.145 54.840 -0.353 0.000 0.755 558 L CB -0.656 41.210 42.059 -0.322 0.000 0.889 558 L HN 0.693 nan 8.230 nan 0.000 0.432 559 V N -0.070 119.551 119.914 -0.488 0.000 2.233 559 V HA -0.363 3.756 4.120 -0.000 0.000 0.247 559 V C 2.703 178.576 176.094 -0.368 0.000 1.050 559 V CA 2.016 64.049 62.300 -0.446 0.000 1.010 559 V CB -0.971 30.640 31.823 -0.353 0.000 0.637 559 V HN 0.571 nan 8.190 nan 0.000 0.444 560 A N -0.719 121.903 122.820 -0.329 0.000 1.940 560 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 560 A C 2.294 179.678 177.584 -0.332 0.000 1.176 560 A CA 1.890 53.737 52.037 -0.318 0.000 0.631 560 A CB -0.395 18.451 19.000 -0.257 0.000 0.814 560 A HN 0.556 nan 8.150 nan 0.000 0.446 561 K N -0.651 119.536 120.400 -0.355 0.000 2.062 561 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 561 K C 2.100 178.385 176.600 -0.525 0.000 1.051 561 K CA 1.179 57.218 56.287 -0.413 0.000 0.941 561 K CB -0.172 32.051 32.500 -0.463 0.000 0.719 561 K HN 0.426 nan 8.250 nan 0.000 0.440 562 R N 0.307 120.501 120.500 -0.509 0.000 2.236 562 R HA 0.047 4.387 4.340 -0.000 0.000 0.208 562 R C 0.716 176.941 176.300 -0.126 0.000 1.036 562 R CA 0.598 56.453 56.100 -0.407 0.000 1.001 562 R CB 0.208 30.369 30.300 -0.231 0.000 0.896 562 R HN -0.000 nan 8.270 nan 0.000 0.464 563 A N 1.689 124.322 122.820 -0.311 0.000 3.165 563 A HA 0.291 4.611 4.320 -0.000 0.000 0.331 563 A C -1.957 175.175 177.584 -0.755 0.000 1.034 563 A CA -1.308 50.362 52.037 -0.611 0.000 0.906 563 A CB 0.500 18.998 19.000 -0.837 0.000 1.054 563 A HN -0.072 nan 8.150 nan 0.000 0.484 564 P HA -0.184 nan 4.420 nan 0.000 0.218 564 P C 1.397 178.564 177.300 -0.223 0.000 1.148 564 P CA 1.230 64.180 63.100 -0.249 0.000 0.822 564 P CB -0.214 31.428 31.700 -0.095 0.000 0.784 565 W N 0.050 121.300 121.300 -0.084 0.000 2.467 565 W HA 0.252 4.912 4.660 -0.000 0.000 0.275 565 W C 1.600 178.112 176.519 -0.010 0.000 1.239 565 W CA 0.577 57.892 57.345 -0.049 0.000 1.266 565 W CB -1.739 27.684 29.460 -0.062 0.000 1.112 565 W HN -0.089 nan 8.180 nan 0.000 0.576 566 A N 1.482 123.871 122.820 -0.720 0.000 2.168 566 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 566 A C 2.015 179.431 177.584 -0.281 0.000 1.152 566 A CA 1.552 53.260 52.037 -0.548 0.000 0.716 566 A CB -0.792 17.617 19.000 -0.986 0.000 0.794 566 A HN 0.270 nan 8.150 nan 0.000 0.465 567 S N -0.700 114.826 115.700 -0.291 0.000 2.522 567 S HA 0.049 4.518 4.470 -0.000 0.000 0.227 567 S C 0.239 174.535 174.600 -0.506 0.000 0.986 567 S CA 0.330 58.303 58.200 -0.379 0.000 0.929 567 S CB -0.265 62.667 63.200 -0.448 0.000 0.769 567 S HN 0.769 nan 8.310 nan 0.000 0.529 568 H N -0.657 118.416 119.070 0.006 0.000 2.768 568 H HA 0.450 5.006 4.556 -0.000 0.000 0.371 568 H C 0.517 175.901 175.328 0.095 0.000 1.151 568 H CA -0.517 55.563 56.048 0.053 0.000 1.165 568 H CB 1.614 31.390 29.762 0.024 0.000 1.722 568 H HN -0.103 nan 8.280 nan 0.000 0.543 569 S N 0.716 116.576 115.700 0.267 0.000 2.402 569 S HA 0.013 4.483 4.470 -0.000 0.000 0.229 569 S C 0.439 175.110 174.600 0.119 0.000 1.021 569 S CA 0.615 58.950 58.200 0.224 0.000 0.974 569 S CB 0.307 63.743 63.200 0.394 0.000 0.800 569 S HN 0.247 nan 8.310 nan 0.000 0.484 570 V N 2.418 122.338 119.914 0.010 0.000 2.709 570 V HA 0.436 4.556 4.120 -0.000 0.000 0.308 570 V C -1.105 174.862 176.094 -0.212 0.000 1.062 570 V CA -0.964 61.179 62.300 -0.260 0.000 0.901 570 V CB 2.114 33.526 31.823 -0.686 0.000 1.003 570 V HN 0.244 nan 8.190 nan 0.000 0.425 571 N N 2.966 121.531 118.700 -0.225 0.000 2.430 571 N HA 0.540 5.279 4.740 -0.000 0.000 0.290 571 N C -1.498 173.935 175.510 -0.128 0.000 1.063 571 N CA -0.299 52.675 53.050 -0.126 0.000 0.883 571 N CB 2.706 41.226 38.487 0.054 0.000 1.465 571 N HN 0.337 nan 8.380 nan 0.000 0.493 572 V N 2.126 121.950 119.914 -0.150 0.000 2.409 572 V HA 0.520 4.640 4.120 -0.000 0.000 0.291 572 V C 0.266 176.400 176.094 0.066 0.000 1.020 572 V CA -0.755 61.533 62.300 -0.020 0.000 0.848 572 V CB 1.560 33.388 31.823 0.007 0.000 0.990 572 V HN 0.473 nan 8.190 nan 0.000 0.430 573 V N 3.282 123.284 119.914 0.148 0.000 3.102 573 V HA 0.794 4.913 4.120 -0.000 0.000 0.312 573 V C -2.907 173.246 176.094 0.098 0.000 1.135 573 V CA -3.054 59.318 62.300 0.120 0.000 1.022 573 V CB 2.163 34.079 31.823 0.156 0.000 1.056 573 V HN 0.615 nan 8.190 nan 0.000 0.436 574 P HA 0.195 nan 4.420 nan 0.000 0.271 574 P C -1.229 176.076 177.300 0.009 0.000 1.218 574 P CA 0.169 63.300 63.100 0.051 0.000 0.780 574 P CB 0.071 31.790 31.700 0.031 0.000 0.901 575 Y N 2.961 123.228 120.300 -0.056 0.000 2.346 575 Y HA 0.365 4.915 4.550 -0.000 0.000 0.330 575 Y C 0.146 175.972 175.900 -0.123 0.000 1.178 575 Y CA 0.470 58.510 58.100 -0.101 0.000 1.331 575 Y CB 0.682 39.096 38.460 -0.076 0.000 1.253 575 Y HN 0.255 nan 8.280 nan 0.000 0.529 576 K N 3.833 123.497 120.400 -1.227 0.000 2.542 576 K HA 0.210 4.530 4.320 -0.000 0.000 0.259 576 K C -1.795 174.096 176.600 -1.183 0.000 0.932 576 K CA -0.741 55.025 56.287 -0.869 0.000 0.820 576 K CB 1.204 33.406 32.500 -0.496 0.000 1.345 576 K HN 0.626 nan 8.250 nan 0.000 0.432 577 D N 2.703 122.716 120.400 -0.646 0.000 2.488 577 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 577 D C -0.002 176.088 176.300 -0.350 0.000 1.138 577 D CA 1.066 54.850 54.000 -0.360 0.000 0.873 577 D CB 0.426 41.172 40.800 -0.090 0.000 1.183 577 D HN 0.585 nan 8.370 nan 0.000 0.458 578 N N 1.512 120.035 118.700 -0.296 0.000 2.818 578 N HA -0.218 4.522 4.740 -0.000 0.000 0.250 578 N C -0.424 174.869 175.510 -0.362 0.000 1.108 578 N CA 0.444 53.323 53.050 -0.285 0.000 0.745 578 N CB -0.774 37.588 38.487 -0.209 0.000 1.104 578 N HN 0.458 nan 8.380 nan 0.000 0.557 579 R N 0.901 121.083 120.500 -0.530 0.000 2.825 579 R HA 0.340 4.680 4.340 -0.000 0.000 0.261 579 R C 1.312 177.273 176.300 -0.565 0.000 1.341 579 R CA -0.102 55.525 56.100 -0.788 0.000 1.353 579 R CB 0.318 29.861 30.300 -1.261 0.000 1.191 579 R HN 0.213 nan 8.270 nan 0.000 0.590 580 L N 1.019 121.995 121.223 -0.411 0.000 2.519 580 L HA 0.229 4.568 4.340 -0.000 0.000 0.194 580 L C -0.175 176.521 176.870 -0.291 0.000 1.072 580 L CA 0.202 54.724 54.840 -0.530 0.000 0.845 580 L CB 0.087 41.427 42.059 -1.200 0.000 1.138 580 L HN 0.330 nan 8.230 nan 0.000 0.487 581 Y N 1.715 122.170 120.300 0.258 0.000 2.404 581 Y HA 0.264 4.814 4.550 -0.000 0.000 0.344 581 Y C -1.560 174.406 175.900 0.110 0.000 0.970 581 Y CA -3.434 54.755 58.100 0.148 0.000 1.180 581 Y CB -0.191 38.257 38.460 -0.021 0.000 1.138 581 Y HN -0.046 nan 8.280 nan 0.000 0.510 582 P HA -0.101 nan 4.420 nan 0.000 0.225 582 P C 0.654 177.883 177.300 -0.118 0.000 1.148 582 P CA 1.112 64.009 63.100 -0.339 0.000 0.779 582 P CB 0.527 31.982 31.700 -0.409 0.000 0.780 583 S N -1.060 114.684 115.700 0.075 0.000 2.568 583 S HA 0.483 4.952 4.470 -0.000 0.000 0.232 583 S C 0.768 175.339 174.600 -0.049 0.000 0.975 583 S CA 0.309 58.630 58.200 0.201 0.000 0.949 583 S CB -0.079 63.348 63.200 0.379 0.000 0.829 583 S HN 0.506 nan 8.310 nan 0.000 0.479 584 G N 1.266 109.959 108.800 -0.178 0.000 2.619 584 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 584 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 584 G C -0.432 174.392 174.900 -0.127 0.000 1.256 584 G CA -0.463 44.472 45.100 -0.275 0.000 0.826 584 G HN 0.176 nan 8.290 nan 0.000 0.619 585 D N -0.081 120.215 120.400 -0.173 0.000 2.149 585 D HA 0.040 4.680 4.640 -0.000 0.000 0.201 585 D C 0.825 176.798 176.300 -0.544 0.000 0.972 585 D CA 1.397 55.236 54.000 -0.268 0.000 0.835 585 D CB 0.017 40.617 40.800 -0.334 0.000 0.966 585 D HN 0.478 nan 8.370 nan 0.000 0.476 586 H N 0.227 119.272 119.070 -0.042 0.000 2.786 586 H HA 0.246 4.802 4.556 -0.000 0.000 0.284 586 H C 0.920 176.232 175.328 -0.026 0.000 1.104 586 H CA -0.299 55.736 56.048 -0.021 0.000 1.339 586 H CB 1.468 31.224 29.762 -0.009 0.000 1.427 586 H HN -0.202 nan 8.280 nan 0.000 0.497 587 V N 3.653 123.600 119.914 0.054 0.000 2.407 587 V HA -0.029 4.090 4.120 -0.000 0.000 0.245 587 V C -1.604 174.586 176.094 0.159 0.000 1.041 587 V CA 0.562 62.925 62.300 0.105 0.000 1.040 587 V CB -0.988 30.863 31.823 0.048 0.000 0.671 587 V HN 0.455 nan 8.190 nan 0.000 0.455 588 P HA 0.038 nan 4.420 nan 0.000 0.264 588 P C 0.289 177.701 177.300 0.185 0.000 1.183 588 P CA 0.709 63.869 63.100 0.099 0.000 0.763 588 P CB 0.074 31.799 31.700 0.042 0.000 0.807 589 Q N -2.007 117.929 119.800 0.226 0.000 2.406 589 Q HA -0.234 4.106 4.340 -0.000 0.000 0.236 589 Q C -0.335 175.932 176.000 0.445 0.000 0.799 589 Q CA 0.558 56.564 55.803 0.337 0.000 1.286 589 Q CB -1.710 27.171 28.738 0.238 0.000 1.615 589 Q HN 0.554 nan 8.270 nan 0.000 0.621 590 W N 1.563 122.940 121.300 0.128 0.000 2.266 590 W HA 0.308 4.968 4.660 -0.000 0.000 0.317 590 W C 1.247 177.646 176.519 -0.201 0.000 1.310 590 W CA -0.077 57.277 57.345 0.015 0.000 1.207 590 W CB 0.587 30.039 29.460 -0.012 0.000 1.199 590 W HN 0.103 nan 8.180 nan 0.000 0.544 591 S N 3.420 118.699 115.700 -0.702 0.000 2.453 591 S HA 0.133 4.602 4.470 -0.000 0.000 0.231 591 S C 1.535 175.320 174.600 -1.358 0.000 1.005 591 S CA 0.953 58.310 58.200 -1.405 0.000 0.949 591 S CB -0.329 62.317 63.200 -0.924 0.000 0.774 591 S HN 1.702 nan 8.310 nan 0.000 0.510 592 G N 0.529 108.046 108.800 -2.138 0.000 2.201 592 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.212 592 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.212 592 G C -0.493 173.815 174.900 -0.987 0.000 0.994 592 G CA 0.017 43.917 45.100 -1.999 0.000 0.644 592 G HN 0.554 nan 8.290 nan 0.000 0.508 593 D N 1.214 121.279 120.400 -0.558 0.000 2.225 593 D HA 0.554 5.194 4.640 -0.000 0.000 0.248 593 D C 0.690 177.138 176.300 0.247 0.000 1.096 593 D CA 1.414 55.352 54.000 -0.105 0.000 0.863 593 D CB 1.391 42.138 40.800 -0.089 0.000 1.156 593 D HN 1.348 nan 8.370 nan 0.000 0.450 594 G N 0.220 109.142 108.800 0.204 0.000 2.402 594 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.666 594 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.666 594 G C -1.011 173.988 174.900 0.164 0.000 1.402 594 G CA -1.000 44.227 45.100 0.210 0.000 0.920 594 G HN 0.331 nan 8.290 nan 0.000 0.651 595 V N 2.519 122.464 119.914 0.051 0.000 2.299 595 V HA 0.617 4.737 4.120 -0.000 0.000 0.255 595 V C 0.799 176.839 176.094 -0.090 0.000 1.100 595 V CA 0.540 62.834 62.300 -0.010 0.000 0.938 595 V CB -0.352 31.462 31.823 -0.014 0.000 1.139 595 V HN 1.000 nan 8.190 nan 0.000 0.490 596 R N 2.783 123.180 120.500 -0.171 0.000 2.781 596 R HA 0.840 5.180 4.340 -0.000 0.000 0.269 596 R C 0.400 176.412 176.300 -0.481 0.000 1.025 596 R CA -0.177 55.725 56.100 -0.331 0.000 0.914 596 R CB 1.266 31.273 30.300 -0.488 0.000 1.236 596 R HN 0.776 nan 8.270 nan 0.000 0.465 597 G N 1.172 109.581 108.800 -0.652 0.000 2.564 597 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.273 597 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.273 597 G C 0.535 174.372 174.900 -1.772 0.000 1.242 597 G CA 0.744 45.180 45.100 -1.106 0.000 0.951 597 G HN 0.777 nan 8.290 nan 0.000 0.564 598 M N 0.340 119.129 119.600 -1.351 0.000 2.106 598 M HA -0.065 4.415 4.480 -0.000 0.000 0.259 598 M C 2.471 178.496 176.300 -0.459 0.000 1.068 598 M CA 2.960 57.747 55.300 -0.856 0.000 1.100 598 M CB -0.528 31.866 32.600 -0.344 0.000 1.351 598 M HN 0.639 nan 8.290 nan 0.000 0.404 599 R N -0.450 119.853 120.500 -0.329 0.000 2.105 599 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 599 R C 2.222 178.427 176.300 -0.158 0.000 1.135 599 R CA 2.046 58.048 56.100 -0.164 0.000 0.967 599 R CB -0.358 29.897 30.300 -0.076 0.000 0.861 599 R HN 0.685 nan 8.270 nan 0.000 0.442 600 E N -0.630 119.404 120.200 -0.277 0.000 2.076 600 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 600 E C 1.413 178.032 176.600 0.032 0.000 0.979 600 E CA 0.925 57.242 56.400 -0.137 0.000 0.807 600 E CB -0.070 29.533 29.700 -0.162 0.000 0.761 600 E HN 0.393 nan 8.360 nan 0.000 0.454 601 W N 0.861 122.112 121.300 -0.082 0.000 2.363 601 W HA -0.061 4.598 4.660 -0.000 0.000 0.296 601 W C 2.104 178.584 176.519 -0.064 0.000 1.212 601 W CA 0.272 57.566 57.345 -0.085 0.000 1.260 601 W CB -0.930 28.454 29.460 -0.126 0.000 1.131 601 W HN 0.159 nan 8.180 nan 0.000 0.530 602 I N -0.078 120.562 120.570 0.117 0.000 2.252 602 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 602 I C 2.171 178.308 176.117 0.034 0.000 1.102 602 I CA 1.618 62.947 61.300 0.048 0.000 1.385 602 I CB -1.102 36.894 38.000 -0.006 0.000 1.064 602 I HN 0.120 nan 8.210 nan 0.000 0.414 603 G N 2.155 110.969 108.800 0.023 0.000 2.591 603 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.298 603 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.298 603 G C 0.415 175.319 174.900 0.007 0.000 1.195 603 G CA 0.635 45.746 45.100 0.018 0.000 0.989 603 G HN 0.535 nan 8.290 nan 0.000 0.551 604 D N 1.330 121.736 120.400 0.010 0.000 2.325 604 D HA 0.405 5.045 4.640 -0.000 0.000 0.225 604 D C 1.761 178.063 176.300 0.003 0.000 1.096 604 D CA 1.031 55.034 54.000 0.005 0.000 0.844 604 D CB -0.431 40.374 40.800 0.008 0.000 0.925 604 D HN 2.152 nan 8.370 nan 0.000 0.513 605 G N 0.486 109.288 108.800 0.003 0.000 2.166 605 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 605 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 605 G C 1.048 175.950 174.900 0.004 0.000 0.986 605 G CA 0.940 46.037 45.100 -0.005 0.000 0.683 605 G HN 0.752 nan 8.290 nan 0.000 0.527 606 S N -0.979 114.730 115.700 0.014 0.000 2.535 606 S HA 0.329 4.799 4.470 -0.000 0.000 0.214 606 S C 0.616 175.233 174.600 0.028 0.000 0.980 606 S CA 0.585 58.797 58.200 0.021 0.000 0.907 606 S CB 0.445 63.657 63.200 0.020 0.000 0.790 606 S HN 0.599 nan 8.310 nan 0.000 0.510 607 E N 2.368 122.587 120.200 0.030 0.000 2.398 607 E HA 0.187 4.537 4.350 -0.000 0.000 0.263 607 E C -0.242 176.385 176.600 0.045 0.000 1.046 607 E CA -0.394 56.028 56.400 0.036 0.000 0.908 607 E CB 0.304 30.026 29.700 0.037 0.000 0.963 607 E HN 0.428 nan 8.360 nan 0.000 0.431 608 N N 2.305 121.033 118.700 0.047 0.000 2.518 608 N HA 0.032 4.772 4.740 -0.000 0.000 0.266 608 N C -0.073 175.476 175.510 0.065 0.000 1.196 608 N CA 0.216 53.300 53.050 0.057 0.000 0.947 608 N CB 0.414 38.932 38.487 0.050 0.000 1.098 608 N HN 0.553 nan 8.380 nan 0.000 0.450 609 I N -1.882 118.737 120.570 0.083 0.000 4.026 609 I HA 0.414 4.583 4.170 -0.000 0.000 0.324 609 I C -0.501 175.668 176.117 0.087 0.000 1.474 609 I CA -0.528 60.828 61.300 0.094 0.000 1.107 609 I CB 0.293 38.367 38.000 0.123 0.000 1.345 609 I HN 0.248 nan 8.210 nan 0.000 0.531 610 D N 2.591 123.034 120.400 0.072 0.000 2.329 610 D HA 0.207 4.847 4.640 -0.000 0.000 0.232 610 D C 0.242 176.553 176.300 0.019 0.000 1.088 610 D CA 0.022 54.051 54.000 0.048 0.000 0.835 610 D CB 0.664 41.512 40.800 0.080 0.000 1.078 610 D HN 0.261 nan 8.370 nan 0.000 0.495 611 N N 2.556 121.238 118.700 -0.029 0.000 2.681 611 N HA -0.220 4.520 4.740 -0.000 0.000 0.259 611 N C -1.444 174.064 175.510 -0.004 0.000 1.066 611 N CA 1.293 54.328 53.050 -0.025 0.000 0.717 611 N CB -0.967 37.524 38.487 0.006 0.000 0.885 611 N HN 0.525 nan 8.380 nan 0.000 0.547 612 T N -0.524 114.028 114.554 -0.005 0.000 2.653 612 T HA 0.306 4.655 4.350 -0.000 0.000 0.306 612 T C -1.929 172.777 174.700 0.011 0.000 1.426 612 T CA -0.568 61.539 62.100 0.011 0.000 1.008 612 T CB 0.664 69.550 68.868 0.030 0.000 1.692 612 T HN 0.080 nan 8.240 nan 0.000 0.483 613 D N 2.304 122.718 120.400 0.024 0.000 2.316 613 D HA 0.486 5.126 4.640 -0.000 0.000 0.245 613 D C 0.223 176.579 176.300 0.093 0.000 1.171 613 D CA 0.054 54.064 54.000 0.016 0.000 0.856 613 D CB 0.430 41.222 40.800 -0.013 0.000 1.090 613 D HN 0.621 nan 8.370 nan 0.000 0.476 614 I N -1.806 118.818 120.570 0.091 0.000 3.170 614 I HA 0.618 4.788 4.170 -0.000 0.000 0.312 614 I C -1.113 175.105 176.117 0.168 0.000 1.085 614 I CA -1.161 60.222 61.300 0.139 0.000 0.999 614 I CB 1.958 40.040 38.000 0.136 0.000 1.233 614 I HN 0.015 nan 8.210 nan 0.000 0.467 615 L N 2.307 123.644 121.223 0.190 0.000 2.409 615 L HA 0.480 4.820 4.340 -0.000 0.000 0.272 615 L C -1.598 175.429 176.870 0.263 0.000 0.980 615 L CA -0.411 54.534 54.840 0.176 0.000 0.826 615 L CB 2.407 44.587 42.059 0.201 0.000 1.268 615 L HN 0.528 nan 8.230 nan 0.000 0.407 616 F N 3.727 123.655 119.950 -0.036 0.000 2.375 616 F HA 0.540 5.067 4.527 -0.000 0.000 0.361 616 F C -1.025 174.726 175.800 -0.082 0.000 1.117 616 F CA -0.655 57.362 58.000 0.029 0.000 1.037 616 F CB 0.783 39.781 39.000 -0.004 0.000 1.192 616 F HN 0.109 nan 8.300 nan 0.000 0.452 617 F N 5.407 125.433 119.950 0.126 0.000 2.388 617 F HA 0.277 4.804 4.527 -0.000 0.000 0.358 617 F C -0.238 175.671 175.800 0.182 0.000 1.122 617 F CA -0.677 57.425 58.000 0.170 0.000 1.056 617 F CB 0.711 39.791 39.000 0.134 0.000 1.155 617 F HN 0.425 nan 8.300 nan 0.000 0.461 618 H N 1.647 120.905 119.070 0.313 0.000 2.476 618 H HA 0.463 5.019 4.556 -0.000 0.000 0.328 618 H C -0.795 174.760 175.328 0.378 0.000 1.073 618 H CA -0.604 55.605 56.048 0.270 0.000 1.229 618 H CB 1.143 31.073 29.762 0.279 0.000 1.432 618 H HN 0.500 nan 8.280 nan 0.000 0.477 619 T N 7.579 122.114 114.554 -0.031 0.000 2.744 619 T HA 0.419 4.769 4.350 -0.000 0.000 0.291 619 T C -0.865 173.776 174.700 -0.099 0.000 0.957 619 T CA -0.339 61.809 62.100 0.080 0.000 1.002 619 T CB -0.355 68.661 68.868 0.246 0.000 0.919 619 T HN 0.495 nan 8.240 nan 0.000 0.468 620 F N 0.321 120.206 119.950 -0.108 0.000 2.685 620 F HA 0.956 5.483 4.527 -0.000 0.000 0.315 620 F C 0.087 176.028 175.800 0.235 0.000 1.126 620 F CA -0.859 57.124 58.000 -0.028 0.000 0.950 620 F CB 1.141 40.072 39.000 -0.115 0.000 1.360 620 F HN 0.857 nan 8.300 nan 0.000 0.469 621 G N 0.494 109.411 108.800 0.195 0.000 2.404 621 G HA2 0.474 4.434 3.960 -0.000 0.000 0.253 621 G HA3 0.474 4.434 3.960 -0.000 0.000 0.253 621 G C -1.977 173.052 174.900 0.215 0.000 1.253 621 G CA -0.230 45.007 45.100 0.229 0.000 0.917 621 G HN 1.546 nan 8.290 nan 0.000 0.480 622 I N -3.185 117.506 120.570 0.202 0.000 3.191 622 I HA 0.862 5.032 4.170 -0.000 0.000 0.313 622 I C -0.778 175.375 176.117 0.060 0.000 1.193 622 I CA -1.033 60.341 61.300 0.123 0.000 0.968 622 I CB 2.226 40.281 38.000 0.092 0.000 1.262 622 I HN 0.449 nan 8.210 nan 0.000 0.456 623 T N 0.906 115.449 114.554 -0.018 0.000 2.791 623 T HA 0.326 4.675 4.350 -0.000 0.000 0.288 623 T C -0.982 173.541 174.700 -0.294 0.000 0.999 623 T CA -0.139 61.843 62.100 -0.197 0.000 0.952 623 T CB -0.039 68.733 68.868 -0.161 0.000 0.938 623 T HN 0.631 nan 8.240 nan 0.000 0.444 624 H N 3.111 121.813 119.070 -0.613 0.000 2.640 624 H HA 0.394 4.950 4.556 -0.000 0.000 0.297 624 H C -1.075 173.827 175.328 -0.709 0.000 1.073 624 H CA -1.004 54.692 56.048 -0.587 0.000 1.305 624 H CB 0.265 29.624 29.762 -0.672 0.000 1.404 624 H HN 0.415 nan 8.280 nan 0.000 0.459 625 F N 6.793 126.844 119.950 0.168 0.000 2.311 625 F HA 0.274 4.801 4.527 -0.000 0.000 0.371 625 F C -1.965 173.913 175.800 0.130 0.000 1.083 625 F CA -2.576 55.463 58.000 0.065 0.000 1.113 625 F CB 0.826 39.861 39.000 0.057 0.000 1.349 625 F HN 0.538 nan 8.300 nan 0.000 0.470 626 P HA 0.213 nan 4.420 nan 0.000 0.265 626 P C -0.711 176.684 177.300 0.159 0.000 1.187 626 P CA 0.082 63.239 63.100 0.095 0.000 0.766 626 P CB 0.771 32.453 31.700 -0.030 0.000 0.820 627 A N 4.406 127.331 122.820 0.175 0.000 2.454 627 A HA 0.609 4.929 4.320 -0.000 0.000 0.302 627 A C -2.033 175.628 177.584 0.127 0.000 1.079 627 A CA -1.564 50.551 52.037 0.129 0.000 0.731 627 A CB 0.899 19.976 19.000 0.127 0.000 1.299 627 A HN 0.251 nan 8.150 nan 0.000 0.413 628 P HA -0.175 nan 4.420 nan 0.000 0.217 628 P C 0.793 178.192 177.300 0.165 0.000 1.148 628 P CA 1.535 64.717 63.100 0.136 0.000 0.834 628 P CB 0.272 32.038 31.700 0.111 0.000 0.783 629 E N -0.754 119.521 120.200 0.125 0.000 2.267 629 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 629 E C 1.260 177.925 176.600 0.109 0.000 0.998 629 E CA 0.996 57.456 56.400 0.101 0.000 0.830 629 E CB -0.645 29.099 29.700 0.073 0.000 0.751 629 E HN 0.325 nan 8.360 nan 0.000 0.491 630 D N -1.037 119.458 120.400 0.159 0.000 2.355 630 D HA 0.002 4.641 4.640 -0.000 0.000 0.218 630 D C -0.328 176.098 176.300 0.210 0.000 1.004 630 D CA 0.353 54.456 54.000 0.171 0.000 0.880 630 D CB 0.156 41.110 40.800 0.257 0.000 0.911 630 D HN 0.058 nan 8.370 nan 0.000 0.528 631 F N 0.975 120.936 119.950 0.019 0.000 2.538 631 F HA 0.324 4.850 4.527 -0.000 0.000 0.325 631 F C -1.669 174.127 175.800 -0.007 0.000 1.066 631 F CA -2.339 55.660 58.000 -0.001 0.000 0.946 631 F CB 2.085 41.101 39.000 0.027 0.000 1.199 631 F HN -0.297 nan 8.300 nan 0.000 0.473 632 P HA 0.069 nan 4.420 nan 0.000 0.240 632 P C -0.463 176.439 177.300 -0.664 0.000 1.190 632 P CA 0.864 63.170 63.100 -1.324 0.000 0.781 632 P CB 1.016 32.177 31.700 -0.898 0.000 0.931 633 L N 0.958 121.897 121.223 -0.474 0.000 2.409 633 L HA 0.474 4.814 4.340 -0.000 0.000 0.272 633 L C -0.327 176.373 176.870 -0.283 0.000 0.980 633 L CA -1.265 53.247 54.840 -0.546 0.000 0.826 633 L CB 2.391 43.900 42.059 -0.918 0.000 1.268 633 L HN -0.131 nan 8.230 nan 0.000 0.407 634 M N 5.478 124.957 119.600 -0.201 0.000 2.233 634 M HA 0.588 5.067 4.480 -0.000 0.000 0.355 634 M C -2.531 173.696 176.300 -0.122 0.000 1.191 634 M CA -1.427 53.813 55.300 -0.099 0.000 1.101 634 M CB 1.244 33.836 32.600 -0.013 0.000 1.592 634 M HN 0.211 nan 8.290 nan 0.000 0.461 635 P HA 0.182 nan 4.420 nan 0.000 0.271 635 P C -0.762 176.481 177.300 -0.096 0.000 1.218 635 P CA -0.178 62.870 63.100 -0.088 0.000 0.780 635 P CB 0.547 32.212 31.700 -0.059 0.000 0.901 636 A N 2.325 125.086 122.820 -0.098 0.000 2.567 636 A HA 0.014 4.334 4.320 -0.000 0.000 0.240 636 A C 0.365 177.886 177.584 -0.105 0.000 1.053 636 A CA 0.375 52.349 52.037 -0.104 0.000 0.755 636 A CB -0.561 18.390 19.000 -0.081 0.000 0.978 636 A HN 0.604 nan 8.150 nan 0.000 0.507 637 E N 3.323 123.444 120.200 -0.132 0.000 2.158 637 E HA 0.490 4.839 4.350 -0.000 0.000 0.271 637 E C -2.630 173.904 176.600 -0.110 0.000 0.911 637 E CA -2.256 54.065 56.400 -0.131 0.000 0.767 637 E CB 1.731 31.315 29.700 -0.192 0.000 1.120 637 E HN 0.515 nan 8.360 nan 0.000 0.405 638 P HA 0.374 nan 4.420 nan 0.000 0.286 638 P C -0.775 176.493 177.300 -0.053 0.000 1.261 638 P CA -0.336 62.721 63.100 -0.072 0.000 0.821 638 P CB 1.327 32.983 31.700 -0.073 0.000 1.013 639 I N 0.537 121.076 120.570 -0.052 0.000 2.656 639 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 639 I C -0.061 176.016 176.117 -0.065 0.000 1.144 639 I CA -0.431 60.860 61.300 -0.015 0.000 1.038 639 I CB 2.619 40.635 38.000 0.027 0.000 1.244 639 I HN 0.286 nan 8.210 nan 0.000 0.420 640 T N 6.422 120.927 114.554 -0.082 0.000 2.843 640 T HA 0.790 5.140 4.350 -0.000 0.000 0.302 640 T C -1.915 172.653 174.700 -0.220 0.000 1.232 640 T CA -0.542 61.456 62.100 -0.169 0.000 1.009 640 T CB 1.827 70.613 68.868 -0.136 0.000 1.254 640 T HN 0.657 nan 8.240 nan 0.000 0.504 641 L N 2.468 123.519 121.223 -0.285 0.000 2.582 641 L HA 0.819 5.158 4.340 -0.000 0.000 0.257 641 L C -2.127 174.610 176.870 -0.221 0.000 0.974 641 L CA -1.012 53.663 54.840 -0.275 0.000 0.851 641 L CB 2.169 43.942 42.059 -0.476 0.000 1.424 641 L HN 0.951 nan 8.230 nan 0.000 0.412 642 M N 2.866 122.380 119.600 -0.143 0.000 2.575 642 M HA 0.633 5.113 4.480 -0.000 0.000 0.284 642 M C -2.232 174.046 176.300 -0.036 0.000 1.253 642 M CA -0.617 54.628 55.300 -0.092 0.000 0.861 642 M CB 2.641 35.205 32.600 -0.059 0.000 1.733 642 M HN 0.696 nan 8.290 nan 0.000 0.462 643 L N 4.033 125.276 121.223 0.033 0.000 2.401 643 L HA 0.535 4.875 4.340 -0.000 0.000 0.263 643 L C -0.932 176.053 176.870 0.191 0.000 1.004 643 L CA -0.530 54.406 54.840 0.159 0.000 0.881 643 L CB 1.390 43.621 42.059 0.286 0.000 1.219 643 L HN 0.701 nan 8.230 nan 0.000 0.441 644 R N 3.101 123.602 120.500 0.003 0.000 2.428 644 R HA 0.520 4.860 4.340 -0.000 0.000 0.294 644 R C -2.594 173.354 176.300 -0.587 0.000 1.000 644 R CA -1.939 54.054 56.100 -0.178 0.000 0.960 644 R CB 0.510 30.753 30.300 -0.095 0.000 1.076 644 R HN 0.173 nan 8.270 nan 0.000 0.475 645 P HA 0.152 nan 4.420 nan 0.000 0.282 645 P C -0.955 176.129 177.300 -0.360 0.000 1.274 645 P CA -0.328 62.147 63.100 -1.043 0.000 0.770 645 P CB 0.911 32.156 31.700 -0.759 0.000 0.867 646 R N 3.318 123.686 120.500 -0.220 0.000 2.473 646 R HA 0.287 4.627 4.340 -0.000 0.000 0.303 646 R C 0.454 176.778 176.300 0.039 0.000 1.002 646 R CA -0.644 55.391 56.100 -0.109 0.000 0.884 646 R CB 0.124 30.418 30.300 -0.010 0.000 1.173 646 R HN 0.659 nan 8.270 nan 0.000 0.464 647 H N 0.782 119.863 119.070 0.018 0.000 3.428 647 H HA -0.210 4.345 4.556 -0.000 0.000 0.204 647 H C 0.704 176.023 175.328 -0.016 0.000 1.078 647 H CA 1.104 57.158 56.048 0.010 0.000 1.183 647 H CB -1.174 28.585 29.762 -0.005 0.000 1.132 647 H HN 0.515 nan 8.280 nan 0.000 0.323 648 F N 0.567 120.427 119.950 -0.150 0.000 2.149 648 F HA 0.134 4.661 4.527 -0.000 0.000 0.294 648 F C 0.995 176.521 175.800 -0.457 0.000 1.095 648 F CA 0.868 58.657 58.000 -0.351 0.000 1.276 648 F CB 0.205 38.852 39.000 -0.590 0.000 1.023 648 F HN -0.061 nan 8.300 nan 0.000 0.480 649 F N -0.538 119.457 119.950 0.075 0.000 2.457 649 F HA 0.265 4.792 4.527 -0.000 0.000 0.330 649 F C 1.573 177.332 175.800 -0.068 0.000 1.069 649 F CA -0.323 57.664 58.000 -0.022 0.000 1.009 649 F CB 0.687 39.682 39.000 -0.008 0.000 1.276 649 F HN -0.251 nan 8.300 nan 0.000 0.492 650 T N -3.109 111.510 114.554 0.108 0.000 3.086 650 T HA 0.251 4.600 4.350 -0.000 0.000 0.250 650 T C -0.151 174.618 174.700 0.115 0.000 1.074 650 T CA 0.120 62.188 62.100 -0.054 0.000 0.988 650 T CB -0.541 68.073 68.868 -0.423 0.000 0.988 650 T HN 0.733 nan 8.240 nan 0.000 0.530 651 E N 0.288 120.557 120.200 0.116 0.000 2.409 651 E HA 0.240 4.590 4.350 -0.000 0.000 0.280 651 E C -1.505 175.085 176.600 -0.015 0.000 1.079 651 E CA -1.144 55.297 56.400 0.068 0.000 0.840 651 E CB 0.089 29.831 29.700 0.069 0.000 1.309 651 E HN -0.104 nan 8.360 nan 0.000 0.447 652 N N 2.304 120.959 118.700 -0.075 0.000 2.315 652 N HA -0.009 4.731 4.740 -0.000 0.000 0.270 652 N C -1.348 174.055 175.510 -0.179 0.000 1.329 652 N CA -1.088 51.879 53.050 -0.138 0.000 0.860 652 N CB 0.766 39.128 38.487 -0.208 0.000 1.095 652 N HN 0.407 nan 8.380 nan 0.000 0.487 653 P HA 0.053 nan 4.420 nan 0.000 0.233 653 P C 0.653 177.856 177.300 -0.160 0.000 1.167 653 P CA 0.649 63.488 63.100 -0.435 0.000 0.770 653 P CB 0.113 31.123 31.700 -1.152 0.000 0.837 654 G N -0.371 108.419 108.800 -0.017 0.000 3.434 654 G HA2 0.122 4.081 3.960 -0.000 0.000 0.258 654 G HA3 0.122 4.081 3.960 -0.000 0.000 0.258 654 G C 1.161 176.218 174.900 0.261 0.000 1.128 654 G CA -0.184 44.995 45.100 0.133 0.000 0.792 654 G HN 0.164 nan 8.290 nan 0.000 0.539 655 L N 0.842 122.135 121.223 0.116 0.000 2.362 655 L HA 0.015 4.355 4.340 -0.000 0.000 0.219 655 L C 1.814 178.756 176.870 0.120 0.000 1.134 655 L CA 0.920 55.812 54.840 0.088 0.000 0.807 655 L CB 0.036 42.054 42.059 -0.068 0.000 0.927 655 L HN 0.267 nan 8.230 nan 0.000 0.447 656 D N -0.451 120.016 120.400 0.112 0.000 2.325 656 D HA 0.050 4.690 4.640 -0.000 0.000 0.225 656 D C 0.589 176.931 176.300 0.070 0.000 1.096 656 D CA -0.028 54.028 54.000 0.094 0.000 0.844 656 D CB -0.128 40.756 40.800 0.139 0.000 0.925 656 D HN 0.184 nan 8.370 nan 0.000 0.513 657 I N 1.366 121.988 120.570 0.087 0.000 2.428 657 I HA 0.012 4.182 4.170 -0.000 0.000 0.289 657 I C 0.660 176.806 176.117 0.048 0.000 1.019 657 I CA -0.675 60.648 61.300 0.039 0.000 1.351 657 I CB 0.993 39.004 38.000 0.018 0.000 1.412 657 I HN -0.224 nan 8.210 nan 0.000 0.513 658 Q N 7.177 126.988 119.800 0.019 0.000 2.247 658 Q HA 0.124 4.464 4.340 -0.000 0.000 0.288 658 Q C -2.096 173.916 176.000 0.021 0.000 1.079 658 Q CA -1.238 54.577 55.803 0.020 0.000 0.932 658 Q CB 0.129 28.871 28.738 0.008 0.000 1.133 658 Q HN 0.290 nan 8.270 nan 0.000 0.377 659 P HA 0.073 nan 4.420 nan 0.000 0.270 659 P C 0.321 177.641 177.300 0.034 0.000 1.223 659 P CA -0.075 63.051 63.100 0.043 0.000 0.785 659 P CB 0.777 32.520 31.700 0.072 0.000 0.923 660 S N -0.361 115.367 115.700 0.047 0.000 2.395 660 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 660 S C 0.210 174.902 174.600 0.153 0.000 1.027 660 S CA 1.092 59.337 58.200 0.074 0.000 0.965 660 S CB -0.420 62.817 63.200 0.061 0.000 0.812 660 S HN 0.624 nan 8.310 nan 0.000 0.482 661 Y N -0.381 119.928 120.300 0.015 0.000 2.544 661 Y HA 0.592 5.142 4.550 -0.000 0.000 0.342 661 Y C -1.603 174.318 175.900 0.034 0.000 1.062 661 Y CA -1.078 57.035 58.100 0.021 0.000 1.023 661 Y CB 1.311 39.781 38.460 0.017 0.000 1.308 661 Y HN -0.057 nan 8.280 nan 0.000 0.457 662 A N 6.093 128.429 122.820 -0.808 0.000 2.500 662 A HA 0.623 4.943 4.320 -0.000 0.000 0.288 662 A C -1.976 175.276 177.584 -0.554 0.000 1.045 662 A CA -0.418 51.345 52.037 -0.458 0.000 0.830 662 A CB 0.906 19.801 19.000 -0.176 0.000 1.337 662 A HN 0.844 nan 8.150 nan 0.000 0.400 663 M N 2.758 122.160 119.600 -0.330 0.000 2.197 663 M HA 0.543 5.023 4.480 -0.000 0.000 0.301 663 M C -0.335 175.935 176.300 -0.050 0.000 0.987 663 M CA 0.133 55.331 55.300 -0.170 0.000 0.921 663 M CB 1.829 34.410 32.600 -0.031 0.000 1.569 663 M HN 0.639 nan 8.290 nan 0.000 0.431 664 T N 2.506 117.032 114.554 -0.047 0.000 2.828 664 T HA 0.197 4.547 4.350 -0.000 0.000 0.290 664 T C 1.054 175.749 174.700 -0.009 0.000 1.019 664 T CA -0.098 61.990 62.100 -0.021 0.000 1.031 664 T CB 1.240 70.092 68.868 -0.027 0.000 1.001 664 T HN 0.854 nan 8.240 nan 0.000 0.531 665 T N 1.630 116.179 114.554 -0.008 0.000 2.777 665 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 665 T C 2.353 177.044 174.700 -0.015 0.000 1.040 665 T CA 1.761 63.853 62.100 -0.013 0.000 1.141 665 T CB -0.422 68.432 68.868 -0.023 0.000 0.868 665 T HN 0.753 nan 8.240 nan 0.000 0.444 666 S N 1.627 117.317 115.700 -0.016 0.000 2.368 666 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 666 S C 1.871 176.464 174.600 -0.013 0.000 1.030 666 S CA 1.158 59.348 58.200 -0.015 0.000 0.999 666 S CB -0.467 62.723 63.200 -0.016 0.000 0.844 666 S HN 0.585 nan 8.310 nan 0.000 0.459 667 E N 1.759 121.950 120.200 -0.014 0.000 2.110 667 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 667 E C 2.389 178.987 176.600 -0.003 0.000 0.988 667 E CA 0.991 57.383 56.400 -0.013 0.000 0.804 667 E CB -0.426 29.259 29.700 -0.026 0.000 0.745 667 E HN 0.741 nan 8.360 nan 0.000 0.458 668 A N 1.369 124.191 122.820 0.002 0.000 2.015 668 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 668 A C 1.912 179.499 177.584 0.005 0.000 1.163 668 A CA 1.224 53.270 52.037 0.014 0.000 0.646 668 A CB -0.163 18.848 19.000 0.018 0.000 0.806 668 A HN 0.034 nan 8.150 nan 0.000 0.448 669 K N -0.740 119.658 120.400 -0.004 0.000 2.031 669 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 669 K C 2.332 178.930 176.600 -0.003 0.000 1.049 669 K CA 1.098 57.381 56.287 -0.007 0.000 0.939 669 K CB -0.155 32.338 32.500 -0.012 0.000 0.717 669 K HN 0.357 nan 8.250 nan 0.000 0.438 670 R N 0.507 121.005 120.500 -0.003 0.000 2.096 670 R HA -0.129 4.211 4.340 -0.000 0.000 0.240 670 R C 2.185 178.486 176.300 0.003 0.000 1.139 670 R CA 1.510 57.609 56.100 -0.002 0.000 0.952 670 R CB -0.405 29.893 30.300 -0.003 0.000 0.854 670 R HN 0.176 nan 8.270 nan 0.000 0.436 671 A N 0.724 123.549 122.820 0.008 0.000 2.234 671 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 671 A C 0.674 178.264 177.584 0.011 0.000 1.167 671 A CA 0.739 52.784 52.037 0.014 0.000 0.698 671 A CB -0.237 18.778 19.000 0.026 0.000 0.779 671 A HN 0.165 nan 8.150 nan 0.000 0.475 672 V N 0.000 119.917 119.914 0.006 0.000 2.409 672 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 672 V CA 0.000 62.301 62.300 0.002 0.000 1.235 672 V CB 0.000 31.825 31.823 0.003 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556