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 2oov_1_B 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 PEDFPLXPAE 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 0.000 177.303 177.300 0.005 0.000 1.155 18 P CA 0.000 63.101 63.100 0.002 0.000 0.800 18 P CB 0.000 31.700 31.700 0.000 0.000 0.726 19 A N 1.777 124.600 122.820 0.005 0.000 2.531 19 A HA 0.286 4.609 4.320 0.005 0.000 0.236 19 A C 0.589 178.181 177.584 0.013 0.000 1.062 19 A CA 0.038 52.081 52.037 0.010 0.000 0.760 19 A CB 0.009 19.015 19.000 0.010 0.000 0.995 19 A HN 0.442 nan 8.150 nan 0.000 0.501 20 R N 2.030 122.538 120.500 0.015 0.000 2.543 20 R HA 0.248 4.591 4.340 0.005 0.000 0.277 20 R C -1.904 174.411 176.300 0.026 0.000 1.074 20 R CA -0.968 55.140 56.100 0.014 0.000 1.076 20 R CB 0.154 30.459 30.300 0.008 0.000 0.993 20 R HN 0.665 nan 8.270 nan 0.000 0.459 21 P HA 0.066 nan 4.420 nan 0.000 0.274 21 P C -0.158 177.187 177.300 0.075 0.000 1.246 21 P CA -0.177 62.959 63.100 0.059 0.000 0.795 21 P CB 0.708 32.451 31.700 0.072 0.000 1.006 22 A N 0.265 123.155 122.820 0.116 0.000 2.070 22 A HA -0.108 4.215 4.320 0.005 0.000 0.220 22 A C 1.011 178.722 177.584 0.211 0.000 1.159 22 A CA 1.347 53.475 52.037 0.151 0.000 0.656 22 A CB -0.751 18.346 19.000 0.161 0.000 0.800 22 A HN 0.722 nan 8.150 nan 0.000 0.453 23 H N -2.302 116.814 119.070 0.075 0.000 3.026 23 H HA 0.289 4.848 4.556 0.005 0.000 0.352 23 H C -2.772 172.502 175.328 -0.089 0.000 1.090 23 H CA -1.418 54.663 56.048 0.056 0.000 1.268 23 H CB 1.936 31.808 29.762 0.183 0.000 1.816 23 H HN -0.095 nan 8.280 nan 0.000 0.518 24 P HA -0.042 nan 4.420 nan 0.000 0.221 24 P C 1.258 178.550 177.300 -0.012 0.000 1.145 24 P CA 0.964 63.930 63.100 -0.223 0.000 0.795 24 P CB 0.343 31.749 31.700 -0.489 0.000 0.775 25 L N -1.966 119.340 121.223 0.139 0.000 2.607 25 L HA 0.131 4.474 4.340 0.005 0.000 0.228 25 L C 0.257 177.074 176.870 -0.089 0.000 1.123 25 L CA -0.171 54.551 54.840 -0.197 0.000 0.890 25 L CB -0.465 41.197 42.059 -0.661 0.000 1.103 25 L HN -0.131 nan 8.230 nan 0.000 0.468 26 D N 1.875 122.352 120.400 0.128 0.000 2.455 26 D HA 0.102 4.745 4.640 0.005 0.000 0.241 26 D C -2.014 174.391 176.300 0.175 0.000 1.138 26 D CA -1.013 53.136 54.000 0.249 0.000 0.877 26 D CB 0.597 41.528 40.800 0.218 0.000 1.187 26 D HN -0.057 nan 8.370 nan 0.000 0.451 27 P HA 0.017 nan 4.420 nan 0.000 0.269 27 P C 0.065 177.460 177.300 0.158 0.000 1.217 27 P CA -0.278 62.934 63.100 0.187 0.000 0.783 27 P CB 0.487 32.321 31.700 0.225 0.000 0.898 28 L N 0.718 122.034 121.223 0.155 0.000 2.540 28 L HA 0.015 4.358 4.340 0.005 0.000 0.276 28 L C 1.342 178.271 176.870 0.098 0.000 1.212 28 L CA 0.133 55.043 54.840 0.117 0.000 0.893 28 L CB -0.322 41.809 42.059 0.120 0.000 1.138 28 L HN 0.513 nan 8.230 nan 0.000 0.491 29 S N 0.443 116.165 115.700 0.037 0.000 2.608 29 S HA 0.072 4.545 4.470 0.005 0.000 0.261 29 S C 1.381 175.910 174.600 -0.118 0.000 1.314 29 S CA -0.189 57.976 58.200 -0.058 0.000 0.992 29 S CB 1.213 64.379 63.200 -0.057 0.000 0.935 29 S HN 0.788 nan 8.310 nan 0.000 0.564 30 T N -1.040 113.342 114.554 -0.287 0.000 2.720 30 T HA -0.157 4.196 4.350 0.005 0.000 0.268 30 T C 1.986 176.622 174.700 -0.107 0.000 1.037 30 T CA 1.329 63.305 62.100 -0.208 0.000 1.144 30 T CB -1.224 67.483 68.868 -0.268 0.000 0.864 30 T HN 0.934 nan 8.240 nan 0.000 0.444 31 A N 1.771 124.534 122.820 -0.095 0.000 1.933 31 A HA -0.087 4.236 4.320 0.005 0.000 0.218 31 A C 2.320 179.881 177.584 -0.038 0.000 1.175 31 A CA 1.683 53.685 52.037 -0.057 0.000 0.628 31 A CB -0.696 18.277 19.000 -0.045 0.000 0.814 31 A HN 0.692 nan 8.150 nan 0.000 0.444 32 E N -0.431 119.752 120.200 -0.027 0.000 2.106 32 E HA -0.106 4.247 4.350 0.005 0.000 0.192 32 E C 1.853 178.450 176.600 -0.004 0.000 0.984 32 E CA 1.020 57.418 56.400 -0.004 0.000 0.806 32 E CB -0.252 29.459 29.700 0.018 0.000 0.750 32 E HN 0.700 nan 8.360 nan 0.000 0.458 33 I N 1.115 121.680 120.570 -0.008 0.000 2.163 33 I HA -0.290 3.883 4.170 0.005 0.000 0.243 33 I C 2.451 178.523 176.117 -0.075 0.000 1.085 33 I CA 1.053 62.344 61.300 -0.016 0.000 1.347 33 I CB -0.137 37.869 38.000 0.010 0.000 1.044 33 I HN -0.025 nan 8.210 nan 0.000 0.408 34 K N 1.440 121.794 120.400 -0.075 0.000 2.057 34 K HA -0.132 4.191 4.320 0.005 0.000 0.207 34 K C 2.043 178.594 176.600 -0.082 0.000 1.049 34 K CA 1.734 57.964 56.287 -0.094 0.000 0.931 34 K CB -0.465 31.994 32.500 -0.069 0.000 0.714 34 K HN 0.299 nan 8.250 nan 0.000 0.440 35 A N 0.442 123.232 122.820 -0.050 0.000 1.902 35 A HA -0.087 4.236 4.320 0.005 0.000 0.217 35 A C 2.374 179.940 177.584 -0.031 0.000 1.181 35 A CA 2.153 54.172 52.037 -0.031 0.000 0.623 35 A CB -1.106 17.886 19.000 -0.013 0.000 0.818 35 A HN 0.418 nan 8.150 nan 0.000 0.443 36 A N -0.311 122.491 122.820 -0.031 0.000 1.877 36 A HA -0.113 4.210 4.320 0.005 0.000 0.216 36 A C 2.480 180.023 177.584 -0.069 0.000 1.186 36 A CA 2.661 54.688 52.037 -0.017 0.000 0.620 36 A CB -1.428 17.586 19.000 0.023 0.000 0.822 36 A HN 0.799 nan 8.150 nan 0.000 0.443 37 T N -2.145 112.293 114.554 -0.193 0.000 2.857 37 T HA -0.130 4.223 4.350 0.005 0.000 0.266 37 T C 1.682 176.313 174.700 -0.115 0.000 1.048 37 T CA 1.365 63.230 62.100 -0.391 0.000 1.139 37 T CB -0.550 67.742 68.868 -0.960 0.000 0.874 37 T HN 0.357 nan 8.240 nan 0.000 0.455 38 N N 1.422 120.073 118.700 -0.081 0.000 2.104 38 N HA -0.071 4.672 4.740 0.005 0.000 0.190 38 N C 2.076 177.602 175.510 0.027 0.000 1.024 38 N CA 1.848 54.892 53.050 -0.009 0.000 0.853 38 N CB -0.992 37.485 38.487 -0.017 0.000 1.008 38 N HN 0.511 nan 8.380 nan 0.000 0.424 39 T N 0.925 115.486 114.554 0.012 0.000 2.708 39 T HA -0.061 4.292 4.350 0.005 0.000 0.266 39 T C 2.157 176.881 174.700 0.040 0.000 1.037 39 T CA 1.045 63.158 62.100 0.022 0.000 1.146 39 T CB -0.355 68.516 68.868 0.006 0.000 0.865 39 T HN -0.016 nan 8.240 nan 0.000 0.435 40 V N 1.395 121.329 119.914 0.034 0.000 2.358 40 V HA -0.158 3.965 4.120 0.005 0.000 0.246 40 V C 2.442 178.683 176.094 0.245 0.000 1.047 40 V CA 1.541 63.871 62.300 0.051 0.000 1.035 40 V CB -0.505 31.280 31.823 -0.062 0.000 0.658 40 V HN 0.455 nan 8.190 nan 0.000 0.452 41 K N -0.001 120.564 120.400 0.275 0.000 2.103 41 K HA -0.183 4.140 4.320 0.005 0.000 0.207 41 K C 2.509 179.204 176.600 0.158 0.000 1.048 41 K CA 1.682 58.113 56.287 0.240 0.000 0.930 41 K CB -0.332 32.293 32.500 0.209 0.000 0.716 41 K HN 0.415 nan 8.250 nan 0.000 0.444 42 S N 0.075 115.841 115.700 0.111 0.000 2.371 42 S HA -0.163 4.310 4.470 0.005 0.000 0.224 42 S C 1.881 176.498 174.600 0.027 0.000 1.029 42 S CA 0.740 58.976 58.200 0.060 0.000 0.978 42 S CB -0.302 62.925 63.200 0.044 0.000 0.833 42 S HN 0.389 nan 8.310 nan 0.000 0.466 43 Y N 0.730 120.958 120.300 -0.121 0.000 2.224 43 Y HA -0.000 4.553 4.550 0.005 0.000 0.289 43 Y C 0.715 176.360 175.900 -0.425 0.000 1.146 43 Y CA 1.580 59.494 58.100 -0.311 0.000 1.182 43 Y CB -0.144 38.035 38.460 -0.468 0.000 0.983 43 Y HN 0.329 nan 8.280 nan 0.000 0.524 44 F N 0.636 120.643 119.950 0.094 0.000 2.916 44 F HA 0.440 4.970 4.527 0.005 0.000 0.294 44 F C 0.857 176.647 175.800 -0.016 0.000 1.189 44 F CA -0.457 57.553 58.000 0.017 0.000 1.369 44 F CB -0.813 38.215 39.000 0.046 0.000 0.961 44 F HN -0.016 nan 8.300 nan 0.000 0.508 45 A N 0.116 122.974 122.820 0.062 0.000 2.540 45 A HA 0.401 4.724 4.320 0.005 0.000 0.239 45 A C 1.574 179.181 177.584 0.039 0.000 1.061 45 A CA 0.953 53.017 52.037 0.044 0.000 0.758 45 A CB -0.507 18.493 19.000 0.001 0.000 0.991 45 A HN 1.098 nan 8.150 nan 0.000 0.502 46 G N 1.537 110.361 108.800 0.040 0.000 2.217 46 G HA2 -0.230 3.734 3.960 0.005 0.000 0.246 46 G HA3 -0.230 3.734 3.960 0.005 0.000 0.246 46 G C 0.273 175.194 174.900 0.035 0.000 0.990 46 G CA 0.771 45.888 45.100 0.028 0.000 0.627 46 G HN 0.870 nan 8.290 nan 0.000 0.522 47 K N 0.298 120.732 120.400 0.057 0.000 2.110 47 K HA 0.594 4.917 4.320 0.005 0.000 0.263 47 K C 0.133 176.740 176.600 0.012 0.000 0.975 47 K CA -0.613 55.697 56.287 0.038 0.000 0.895 47 K CB 1.384 33.920 32.500 0.060 0.000 1.060 47 K HN 0.128 nan 8.250 nan 0.000 0.448 48 K N 4.247 124.637 120.400 -0.017 0.000 2.231 48 K HA 0.249 4.572 4.320 0.005 0.000 0.275 48 K C -0.703 175.851 176.600 -0.076 0.000 1.105 48 K CA -0.300 55.970 56.287 -0.029 0.000 0.931 48 K CB -0.177 32.310 32.500 -0.021 0.000 1.296 48 K HN 0.606 nan 8.250 nan 0.000 0.446 49 I N 0.178 120.688 120.570 -0.099 0.000 2.846 49 I HA 0.652 4.826 4.170 0.005 0.000 0.307 49 I C -0.791 175.208 176.117 -0.198 0.000 1.053 49 I CA -0.805 60.367 61.300 -0.213 0.000 1.050 49 I CB 2.334 40.123 38.000 -0.351 0.000 1.239 49 I HN 0.518 nan 8.210 nan 0.000 0.439 50 S N 2.590 118.127 115.700 -0.272 0.000 2.569 50 S HA 0.679 5.152 4.470 0.005 0.000 0.280 50 S C -1.108 173.318 174.600 -0.290 0.000 1.111 50 S CA -0.671 57.435 58.200 -0.155 0.000 0.887 50 S CB 1.407 64.576 63.200 -0.052 0.000 1.095 50 S HN 0.515 nan 8.310 nan 0.000 0.476 51 F N 2.578 122.516 119.950 -0.021 0.000 2.410 51 F HA 0.485 5.015 4.527 0.005 0.000 0.349 51 F C 1.716 177.511 175.800 -0.007 0.000 1.117 51 F CA -0.622 57.372 58.000 -0.010 0.000 1.104 51 F CB 1.385 40.387 39.000 0.004 0.000 1.122 51 F HN 0.842 nan 8.300 nan 0.000 0.483 52 N N 1.055 119.826 118.700 0.118 0.000 2.499 52 N HA 0.023 4.766 4.740 0.005 0.000 0.182 52 N C -0.383 175.199 175.510 0.120 0.000 1.034 52 N CA 0.707 53.806 53.050 0.082 0.000 0.882 52 N CB 0.629 39.136 38.487 0.034 0.000 1.125 52 N HN 0.545 nan 8.380 nan 0.000 0.436 53 T N 0.785 115.382 114.554 0.072 0.000 3.032 53 T HA 0.456 4.809 4.350 0.005 0.000 0.312 53 T C -1.295 173.402 174.700 -0.004 0.000 1.078 53 T CA -0.479 61.565 62.100 -0.093 0.000 1.028 53 T CB 2.605 71.266 68.868 -0.345 0.000 1.091 53 T HN -0.138 nan 8.240 nan 0.000 0.457 54 V N 2.805 122.734 119.914 0.025 0.000 2.462 54 V HA 0.759 4.882 4.120 0.005 0.000 0.288 54 V C -0.139 176.018 176.094 0.105 0.000 1.020 54 V CA -0.473 61.884 62.300 0.094 0.000 0.857 54 V CB 1.610 33.494 31.823 0.102 0.000 1.013 54 V HN 0.981 nan 8.190 nan 0.000 0.431 55 T N 3.956 118.591 114.554 0.135 0.000 2.843 55 T HA 0.594 4.947 4.350 0.005 0.000 0.302 55 T C -1.218 173.615 174.700 0.223 0.000 1.232 55 T CA -0.536 61.683 62.100 0.199 0.000 1.009 55 T CB 1.623 70.622 68.868 0.218 0.000 1.254 55 T HN 0.549 nan 8.240 nan 0.000 0.504 56 L N 3.236 124.582 121.223 0.205 0.000 2.499 56 L HA 0.497 4.840 4.340 0.005 0.000 0.273 56 L C 0.295 177.258 176.870 0.155 0.000 1.195 56 L CA 0.147 55.083 54.840 0.159 0.000 0.882 56 L CB 0.292 42.430 42.059 0.130 0.000 1.133 56 L HN 0.591 nan 8.230 nan 0.000 0.483 57 R N 4.605 125.185 120.500 0.133 0.000 2.205 57 R HA 0.264 4.607 4.340 0.005 0.000 0.342 57 R C -0.449 175.875 176.300 0.040 0.000 1.058 57 R CA -0.028 56.120 56.100 0.080 0.000 0.904 57 R CB -0.070 30.283 30.300 0.089 0.000 1.089 57 R HN 0.737 nan 8.270 nan 0.000 0.471 58 E N 5.728 125.935 120.200 0.012 0.000 2.398 58 E HA 0.099 4.452 4.350 0.005 0.000 0.263 58 E C -1.868 174.737 176.600 0.008 0.000 1.046 58 E CA -1.498 54.898 56.400 -0.007 0.000 0.908 58 E CB 0.331 30.008 29.700 -0.040 0.000 0.963 58 E HN 0.555 nan 8.360 nan 0.000 0.431 59 P HA -0.030 nan 4.420 nan 0.000 0.268 59 P C -0.834 176.516 177.300 0.083 0.000 1.208 59 P CA -0.127 63.003 63.100 0.051 0.000 0.777 59 P CB 0.458 32.205 31.700 0.079 0.000 0.875 60 A N 2.632 125.500 122.820 0.081 0.000 2.555 60 A HA -0.063 4.260 4.320 0.005 0.000 0.233 60 A C 1.849 179.503 177.584 0.116 0.000 1.060 60 A CA 0.069 52.166 52.037 0.099 0.000 0.759 60 A CB -0.362 18.684 19.000 0.077 0.000 0.995 60 A HN 0.682 nan 8.150 nan 0.000 0.506 61 R N 1.177 121.724 120.500 0.078 0.000 2.083 61 R HA -0.183 4.160 4.340 0.005 0.000 0.237 61 R C 2.092 178.331 176.300 -0.102 0.000 1.137 61 R CA 2.148 58.169 56.100 -0.132 0.000 0.951 61 R CB -0.201 29.786 30.300 -0.522 0.000 0.851 61 R HN 0.862 nan 8.270 nan 0.000 0.434 62 K N -0.231 120.133 120.400 -0.060 0.000 2.026 62 K HA -0.132 4.191 4.320 0.005 0.000 0.208 62 K C 1.930 178.547 176.600 0.029 0.000 1.048 62 K CA 1.484 57.752 56.287 -0.033 0.000 0.929 62 K CB -0.175 32.318 32.500 -0.011 0.000 0.713 62 K HN 0.263 nan 8.250 nan 0.000 0.439 63 A N 0.350 123.208 122.820 0.064 0.000 1.902 63 A HA -0.200 4.123 4.320 0.005 0.000 0.217 63 A C 2.063 179.734 177.584 0.145 0.000 1.181 63 A CA 1.426 53.516 52.037 0.088 0.000 0.623 63 A CB -0.861 18.184 19.000 0.076 0.000 0.818 63 A HN 0.589 nan 8.150 nan 0.000 0.443 64 Y N 0.369 120.717 120.300 0.081 0.000 2.145 64 Y HA -0.166 4.387 4.550 0.005 0.000 0.286 64 Y C 2.017 178.055 175.900 0.229 0.000 1.145 64 Y CA 1.876 60.078 58.100 0.170 0.000 1.148 64 Y CB -0.252 38.320 38.460 0.187 0.000 0.981 64 Y HN 0.256 nan 8.280 nan 0.000 0.507 65 I N 0.132 120.801 120.570 0.164 0.000 2.226 65 I HA -0.342 3.831 4.170 0.005 0.000 0.245 65 I C 2.596 178.689 176.117 -0.040 0.000 1.100 65 I CA 1.699 63.028 61.300 0.048 0.000 1.374 65 I CB -0.491 37.519 38.000 0.017 0.000 1.057 65 I HN 0.340 nan 8.210 nan 0.000 0.413 66 Q N 0.068 119.865 119.800 -0.006 0.000 2.061 66 Q HA -0.284 4.059 4.340 0.005 0.000 0.204 66 Q C 2.126 178.104 176.000 -0.036 0.000 0.984 66 Q CA 2.269 58.062 55.803 -0.016 0.000 0.846 66 Q CB -0.261 28.487 28.738 0.017 0.000 0.902 66 Q HN 0.599 nan 8.270 nan 0.000 0.421 67 W N 1.306 122.495 121.300 -0.185 0.000 2.355 67 W HA -0.222 4.441 4.660 0.005 0.000 0.309 67 W C 2.111 178.467 176.519 -0.272 0.000 1.206 67 W CA 1.914 59.127 57.345 -0.220 0.000 1.284 67 W CB -0.124 29.187 29.460 -0.249 0.000 1.145 67 W HN -0.000 nan 8.180 nan 0.000 0.502 68 K N 0.431 120.505 120.400 -0.543 0.000 2.103 68 K HA -0.101 4.223 4.320 0.005 0.000 0.204 68 K C 1.601 177.903 176.600 -0.497 0.000 1.052 68 K CA 2.105 57.914 56.287 -0.796 0.000 0.945 68 K CB -0.196 32.005 32.500 -0.499 0.000 0.722 68 K HN 0.304 nan 8.250 nan 0.000 0.443 69 E N -1.216 118.804 120.200 -0.300 0.000 2.539 69 E HA 0.104 4.457 4.350 0.005 0.000 0.215 69 E C 0.392 176.897 176.600 -0.157 0.000 0.965 69 E CA 0.034 56.322 56.400 -0.187 0.000 1.019 69 E CB 0.858 30.499 29.700 -0.099 0.000 1.059 69 E HN 0.248 nan 8.360 nan 0.000 0.496 70 Q N -0.449 119.250 119.800 -0.168 0.000 2.086 70 Q HA 0.196 4.539 4.340 0.005 0.000 0.220 70 Q C 0.421 176.349 176.000 -0.120 0.000 0.792 70 Q CA 0.155 55.890 55.803 -0.115 0.000 1.062 70 Q CB 1.780 30.473 28.738 -0.075 0.000 1.198 70 Q HN 0.271 nan 8.270 nan 0.000 0.466 71 G N 1.055 109.746 108.800 -0.182 0.000 2.321 71 G HA2 -0.292 3.672 3.960 0.005 0.000 0.287 71 G HA3 -0.292 3.672 3.960 0.005 0.000 0.287 71 G C 0.414 175.259 174.900 -0.091 0.000 1.018 71 G CA 0.182 45.185 45.100 -0.161 0.000 0.855 71 G HN 0.469 nan 8.290 nan 0.000 0.507 72 G N -0.452 108.305 108.800 -0.072 0.000 2.588 72 G HA2 0.639 4.602 3.960 0.005 0.000 0.281 72 G HA3 0.639 4.602 3.960 0.005 0.000 0.281 72 G C -1.729 173.226 174.900 0.092 0.000 1.236 72 G CA -0.898 44.208 45.100 0.010 0.000 0.969 72 G HN 0.250 nan 8.290 nan 0.000 0.504 73 P HA 0.089 nan 4.420 nan 0.000 0.265 73 P C -0.182 177.219 177.300 0.169 0.000 1.187 73 P CA -0.360 62.803 63.100 0.105 0.000 0.766 73 P CB 0.563 32.300 31.700 0.061 0.000 0.820 74 L N 6.280 127.585 121.223 0.137 0.000 2.418 74 L HA 0.304 4.647 4.340 0.005 0.000 0.274 74 L C -2.167 174.661 176.870 -0.070 0.000 1.135 74 L CA -1.607 53.244 54.840 0.018 0.000 0.870 74 L CB -0.429 41.636 42.059 0.011 0.000 1.154 74 L HN 0.284 nan 8.230 nan 0.000 0.462 75 P HA 0.265 nan 4.420 nan 0.000 0.271 75 P C -2.548 174.701 177.300 -0.086 0.000 1.216 75 P CA -1.031 62.014 63.100 -0.091 0.000 0.776 75 P CB -0.262 31.383 31.700 -0.092 0.000 0.881 76 P HA 0.122 nan 4.420 nan 0.000 0.266 76 P C -0.243 177.043 177.300 -0.023 0.000 1.195 76 P CA -0.023 63.064 63.100 -0.021 0.000 0.768 76 P CB 0.369 32.069 31.700 0.001 0.000 0.838 77 R N 3.421 123.911 120.500 -0.017 0.000 2.242 77 R HA 0.362 4.705 4.340 0.005 0.000 0.334 77 R C -0.872 175.444 176.300 0.025 0.000 1.071 77 R CA 0.182 56.280 56.100 -0.003 0.000 0.922 77 R CB -0.740 29.557 30.300 -0.005 0.000 1.023 77 R HN 0.434 nan 8.270 nan 0.000 0.458 78 L N 3.096 124.344 121.223 0.041 0.000 2.362 78 L HA 0.750 5.093 4.340 0.005 0.000 0.271 78 L C -0.406 176.526 176.870 0.103 0.000 1.002 78 L CA -1.340 53.542 54.840 0.070 0.000 0.818 78 L CB 2.207 44.306 42.059 0.067 0.000 1.298 78 L HN 0.681 nan 8.230 nan 0.000 0.420 79 A N 2.021 124.921 122.820 0.134 0.000 2.318 79 A HA 0.557 4.880 4.320 0.005 0.000 0.324 79 A C -1.488 176.244 177.584 0.246 0.000 1.170 79 A CA -0.372 51.771 52.037 0.177 0.000 0.810 79 A CB 0.893 19.987 19.000 0.156 0.000 1.198 79 A HN 0.600 nan 8.150 nan 0.000 0.484 80 Y N 3.370 123.735 120.300 0.108 0.000 2.320 80 Y HA 0.572 5.125 4.550 0.005 0.000 0.334 80 Y C -0.746 175.227 175.900 0.121 0.000 1.055 80 Y CA -0.834 57.300 58.100 0.058 0.000 1.143 80 Y CB 0.725 39.203 38.460 0.030 0.000 1.193 80 Y HN 0.698 nan 8.280 nan 0.000 0.477 81 Y N 3.310 123.306 120.300 -0.506 0.000 2.536 81 Y HA 0.824 5.377 4.550 0.005 0.000 0.347 81 Y C -1.971 173.563 175.900 -0.610 0.000 1.000 81 Y CA -1.695 56.172 58.100 -0.388 0.000 1.051 81 Y CB 1.164 39.609 38.460 -0.026 0.000 1.259 81 Y HN 0.351 nan 8.280 nan 0.000 0.468 82 V N 4.927 124.716 119.914 -0.208 0.000 2.577 82 V HA 0.569 4.692 4.120 0.005 0.000 0.303 82 V C -0.201 175.877 176.094 -0.027 0.000 1.042 82 V CA -0.781 61.427 62.300 -0.153 0.000 0.872 82 V CB 1.417 33.184 31.823 -0.092 0.000 0.998 82 V HN 0.873 nan 8.190 nan 0.000 0.423 83 I N 2.409 122.924 120.570 -0.090 0.000 3.002 83 I HA 0.720 4.893 4.170 0.005 0.000 0.310 83 I C -1.340 174.634 176.117 -0.239 0.000 1.087 83 I CA -0.964 60.176 61.300 -0.267 0.000 1.017 83 I CB 2.363 40.054 38.000 -0.514 0.000 1.226 83 I HN 0.284 nan 8.210 nan 0.000 0.443 84 L N 2.044 123.119 121.223 -0.247 0.000 2.333 84 L HA 0.602 4.945 4.340 0.005 0.000 0.269 84 L C -0.514 176.222 176.870 -0.224 0.000 1.010 84 L CA -0.461 54.263 54.840 -0.193 0.000 0.818 84 L CB 1.924 43.906 42.059 -0.127 0.000 1.306 84 L HN 0.795 nan 8.230 nan 0.000 0.430 85 E N 0.914 121.004 120.200 -0.183 0.000 2.234 85 E HA 0.544 4.897 4.350 0.005 0.000 0.266 85 E C -0.804 175.734 176.600 -0.102 0.000 0.877 85 E CA -0.742 55.558 56.400 -0.166 0.000 0.758 85 E CB 2.262 31.848 29.700 -0.190 0.000 1.170 85 E HN 0.726 nan 8.360 nan 0.000 0.415 86 A N 2.683 125.456 122.820 -0.079 0.000 2.567 86 A HA 0.385 4.708 4.320 0.005 0.000 0.240 86 A C 1.212 178.771 177.584 -0.042 0.000 1.053 86 A CA 1.000 53.006 52.037 -0.051 0.000 0.755 86 A CB -0.537 18.440 19.000 -0.037 0.000 0.978 86 A HN 1.152 nan 8.150 nan 0.000 0.507 87 G N 1.617 110.398 108.800 -0.033 0.000 2.168 87 G HA2 -0.213 3.750 3.960 0.005 0.000 0.263 87 G HA3 -0.213 3.750 3.960 0.005 0.000 0.263 87 G C 0.138 175.022 174.900 -0.025 0.000 0.977 87 G CA 0.771 45.856 45.100 -0.024 0.000 0.659 87 G HN 0.765 nan 8.290 nan 0.000 0.533 88 K N 0.820 121.196 120.400 -0.039 0.000 2.270 88 K HA 0.553 4.876 4.320 0.005 0.000 0.255 88 K C -2.326 174.250 176.600 -0.040 0.000 0.936 88 K CA -1.872 54.392 56.287 -0.039 0.000 0.809 88 K CB 2.503 34.969 32.500 -0.056 0.000 1.131 88 K HN 0.171 nan 8.250 nan 0.000 0.427 89 P HA 0.222 nan 4.420 nan 0.000 0.277 89 P C 0.567 177.845 177.300 -0.037 0.000 1.240 89 P CA 0.218 63.305 63.100 -0.021 0.000 0.798 89 P CB 0.831 32.529 31.700 -0.003 0.000 0.979 90 G N 0.933 109.710 108.800 -0.038 0.000 2.550 90 G HA2 -0.106 3.857 3.960 0.005 0.000 0.277 90 G HA3 -0.106 3.857 3.960 0.005 0.000 0.277 90 G C -0.285 174.554 174.900 -0.102 0.000 1.190 90 G CA 0.503 45.565 45.100 -0.063 0.000 0.971 90 G HN 0.981 nan 8.290 nan 0.000 0.559 91 V N -3.573 116.258 119.914 -0.138 0.000 3.181 91 V HA 0.942 5.065 4.120 0.005 0.000 0.308 91 V C -0.465 175.537 176.094 -0.154 0.000 1.214 91 V CA -0.692 61.504 62.300 -0.173 0.000 1.053 91 V CB 1.931 33.602 31.823 -0.253 0.000 1.069 91 V HN 1.032 nan 8.190 nan 0.000 0.441 92 K N 1.064 121.370 120.400 -0.157 0.000 2.318 92 K HA 0.709 5.032 4.320 0.005 0.000 0.249 92 K C -0.990 175.549 176.600 -0.102 0.000 0.942 92 K CA -0.562 55.665 56.287 -0.100 0.000 0.808 92 K CB 2.338 34.767 32.500 -0.120 0.000 1.189 92 K HN 1.013 nan 8.250 nan 0.000 0.428 93 E N 0.399 120.523 120.200 -0.127 0.000 2.416 93 E HA 0.799 5.152 4.350 0.005 0.000 0.273 93 E C -0.477 175.791 176.600 -0.554 0.000 0.935 93 E CA -1.242 54.929 56.400 -0.381 0.000 0.784 93 E CB 2.246 31.878 29.700 -0.113 0.000 1.301 93 E HN 0.639 nan 8.360 nan 0.000 0.454 94 G N 0.295 108.428 108.800 -1.111 0.000 2.341 94 G HA2 0.407 4.371 3.960 0.005 0.000 0.299 94 G HA3 0.407 4.371 3.960 0.005 0.000 0.299 94 G C -1.819 172.790 174.900 -0.485 0.000 1.274 94 G CA -1.007 43.686 45.100 -0.678 0.000 0.853 94 G HN 0.412 nan 8.290 nan 0.000 0.493 95 L N 0.060 121.262 121.223 -0.036 0.000 2.386 95 L HA 0.695 5.038 4.340 0.005 0.000 0.271 95 L C -0.558 176.440 176.870 0.212 0.000 0.993 95 L CA -1.159 53.760 54.840 0.132 0.000 0.819 95 L CB 2.301 44.419 42.059 0.099 0.000 1.294 95 L HN 0.332 nan 8.230 nan 0.000 0.414 96 V N 1.022 121.070 119.914 0.223 0.000 2.417 96 V HA 0.179 4.302 4.120 0.005 0.000 0.291 96 V C -0.531 175.618 176.094 0.092 0.000 1.024 96 V CA -0.516 61.868 62.300 0.141 0.000 0.861 96 V CB 1.915 33.817 31.823 0.132 0.000 0.985 96 V HN 0.705 nan 8.190 nan 0.000 0.436 97 D N 3.523 123.959 120.400 0.060 0.000 2.336 97 D HA 0.272 4.915 4.640 0.005 0.000 0.249 97 D C 0.958 177.280 176.300 0.037 0.000 1.213 97 D CA -0.137 53.889 54.000 0.044 0.000 0.870 97 D CB 1.028 41.848 40.800 0.033 0.000 1.076 97 D HN 0.439 nan 8.370 nan 0.000 0.483 98 L N 3.637 124.882 121.223 0.036 0.000 2.093 98 L HA -0.066 4.277 4.340 0.005 0.000 0.208 98 L C 2.389 179.271 176.870 0.020 0.000 1.085 98 L CA 1.057 55.914 54.840 0.029 0.000 0.755 98 L CB -0.313 41.763 42.059 0.029 0.000 0.904 98 L HN 0.577 nan 8.230 nan 0.000 0.435 99 A N -0.262 122.568 122.820 0.017 0.000 1.972 99 A HA -0.184 4.139 4.320 0.005 0.000 0.219 99 A C 2.331 179.923 177.584 0.014 0.000 1.169 99 A CA 1.985 54.030 52.037 0.013 0.000 0.635 99 A CB -0.437 18.569 19.000 0.010 0.000 0.810 99 A HN 0.507 nan 8.150 nan 0.000 0.446 100 S N -1.472 114.239 115.700 0.017 0.000 2.539 100 S HA 0.405 4.878 4.470 0.005 0.000 0.221 100 S C 0.475 175.087 174.600 0.019 0.000 0.987 100 S CA 0.151 58.362 58.200 0.018 0.000 0.929 100 S CB -0.524 62.687 63.200 0.019 0.000 0.832 100 S HN 0.627 nan 8.310 nan 0.000 0.492 101 L N 2.129 123.364 121.223 0.020 0.000 3.762 101 L HA -0.174 4.169 4.340 0.005 0.000 0.460 101 L C 0.036 176.920 176.870 0.024 0.000 1.255 101 L CA 0.516 55.368 54.840 0.020 0.000 0.783 101 L CB -2.494 39.574 42.059 0.015 0.000 1.600 101 L HN 0.677 nan 8.230 nan 0.000 0.862 102 S N -2.172 113.542 115.700 0.025 0.000 2.541 102 S HA 0.739 5.212 4.470 0.005 0.000 0.280 102 S C -0.299 174.302 174.600 0.003 0.000 1.112 102 S CA -1.006 57.208 58.200 0.024 0.000 0.925 102 S CB 2.533 65.751 63.200 0.031 0.000 1.067 102 S HN 0.012 nan 8.310 nan 0.000 0.479 103 V N 3.786 123.667 119.914 -0.055 0.000 2.479 103 V HA 0.183 4.306 4.120 0.005 0.000 0.281 103 V C 1.175 177.213 176.094 -0.094 0.000 1.031 103 V CA 0.043 62.254 62.300 -0.149 0.000 1.038 103 V CB 0.081 31.537 31.823 -0.612 0.000 0.981 103 V HN 0.918 nan 8.190 nan 0.000 0.478 104 I N 0.984 121.540 120.570 -0.023 0.000 4.139 104 I HA 0.547 4.720 4.170 0.005 0.000 0.335 104 I C 0.553 176.672 176.117 0.003 0.000 1.327 104 I CA 0.274 61.575 61.300 0.000 0.000 1.112 104 I CB 0.499 38.512 38.000 0.023 0.000 1.058 104 I HN 0.564 nan 8.210 nan 0.000 0.396 105 E N 0.645 120.843 120.200 -0.004 0.000 2.354 105 E HA 0.479 4.832 4.350 0.005 0.000 0.283 105 E C -1.366 175.232 176.600 -0.003 0.000 0.938 105 E CA -0.456 55.948 56.400 0.006 0.000 0.777 105 E CB 2.508 32.220 29.700 0.020 0.000 1.222 105 E HN 0.127 nan 8.360 nan 0.000 0.423 106 T N 2.510 117.076 114.554 0.020 0.000 2.942 106 T HA 0.643 4.996 4.350 0.005 0.000 0.327 106 T C -2.004 172.749 174.700 0.089 0.000 1.360 106 T CA -0.684 61.455 62.100 0.064 0.000 1.055 106 T CB 0.932 69.869 68.868 0.115 0.000 1.261 106 T HN 0.607 nan 8.240 nan 0.000 0.485 107 R N 1.795 122.347 120.500 0.087 0.000 2.663 107 R HA 0.816 5.159 4.340 0.005 0.000 0.267 107 R C -1.601 174.736 176.300 0.062 0.000 1.038 107 R CA -1.216 54.932 56.100 0.080 0.000 0.886 107 R CB 1.182 31.515 30.300 0.054 0.000 1.249 107 R HN 0.700 nan 8.270 nan 0.000 0.463 108 A N 2.376 125.228 122.820 0.055 0.000 2.276 108 A HA 0.610 4.933 4.320 0.005 0.000 0.316 108 A C -1.015 176.568 177.584 -0.001 0.000 1.229 108 A CA -0.711 51.337 52.037 0.018 0.000 0.851 108 A CB 0.768 19.785 19.000 0.028 0.000 1.165 108 A HN 0.411 nan 8.150 nan 0.000 0.513 109 L N 2.935 124.136 121.223 -0.037 0.000 2.356 109 L HA 0.340 4.683 4.340 0.005 0.000 0.264 109 L C 0.960 177.800 176.870 -0.050 0.000 1.029 109 L CA 0.346 55.161 54.840 -0.043 0.000 0.897 109 L CB 0.606 42.618 42.059 -0.080 0.000 1.256 109 L HN 0.895 nan 8.230 nan 0.000 0.444 110 E N 0.331 120.519 120.200 -0.020 0.000 2.427 110 E HA -0.048 4.305 4.350 0.005 0.000 0.196 110 E C 0.619 177.219 176.600 -0.000 0.000 1.028 110 E CA 1.020 57.412 56.400 -0.014 0.000 0.864 110 E CB 0.412 30.112 29.700 0.000 0.000 0.813 110 E HN 0.672 nan 8.360 nan 0.000 0.514 111 T N -2.190 112.368 114.554 0.008 0.000 3.200 111 T HA 0.265 4.618 4.350 0.005 0.000 0.284 111 T C 0.218 174.949 174.700 0.051 0.000 1.009 111 T CA -0.482 61.641 62.100 0.039 0.000 0.907 111 T CB -0.128 68.771 68.868 0.052 0.000 1.120 111 T HN -0.014 nan 8.240 nan 0.000 0.534 112 V N -2.048 117.872 119.914 0.011 0.000 3.113 112 V HA 0.843 4.966 4.120 0.005 0.000 0.316 112 V C -1.480 174.614 176.094 -0.000 0.000 1.125 112 V CA -1.066 61.246 62.300 0.020 0.000 1.026 112 V CB 2.249 34.064 31.823 -0.014 0.000 1.080 112 V HN 0.149 nan 8.190 nan 0.000 0.444 113 Q N 1.645 121.471 119.800 0.043 0.000 2.372 113 Q HA 0.639 4.982 4.340 0.005 0.000 0.273 113 Q C -2.853 173.185 176.000 0.063 0.000 1.078 113 Q CA -1.676 54.145 55.803 0.029 0.000 0.806 113 Q CB 2.854 31.628 28.738 0.059 0.000 1.332 113 Q HN 0.726 nan 8.270 nan 0.000 0.435 114 P HA 0.346 nan 4.420 nan 0.000 0.284 114 P C 0.001 177.370 177.300 0.116 0.000 1.287 114 P CA -0.811 62.380 63.100 0.151 0.000 0.824 114 P CB 1.290 33.051 31.700 0.101 0.000 1.180 115 I N 0.096 120.756 120.570 0.149 0.000 2.948 115 I HA -0.105 4.068 4.170 0.005 0.000 0.303 115 I C -0.030 176.157 176.117 0.115 0.000 1.224 115 I CA 0.154 61.520 61.300 0.110 0.000 1.442 115 I CB 0.044 38.170 38.000 0.210 0.000 1.328 115 I HN 0.115 nan 8.210 nan 0.000 0.578 116 L N 7.648 128.920 121.223 0.082 0.000 2.278 116 L HA 0.240 4.583 4.340 0.005 0.000 0.287 116 L C 0.644 177.599 176.870 0.142 0.000 1.072 116 L CA -0.449 54.465 54.840 0.124 0.000 0.819 116 L CB 0.845 43.013 42.059 0.183 0.000 1.176 116 L HN 0.675 nan 8.230 nan 0.000 0.435 117 T N -0.456 114.097 114.554 -0.002 0.000 2.788 117 T HA 0.189 4.542 4.350 0.005 0.000 0.287 117 T C 1.421 176.047 174.700 -0.124 0.000 1.007 117 T CA -0.873 61.078 62.100 -0.248 0.000 1.005 117 T CB 1.399 70.017 68.868 -0.415 0.000 1.012 117 T HN 0.195 nan 8.240 nan 0.000 0.530 118 V N 1.349 121.156 119.914 -0.179 0.000 2.324 118 V HA -0.168 3.955 4.120 0.005 0.000 0.250 118 V C 2.853 178.930 176.094 -0.028 0.000 1.060 118 V CA 2.206 64.473 62.300 -0.054 0.000 1.042 118 V CB -1.014 30.798 31.823 -0.019 0.000 0.650 118 V HN 0.938 nan 8.190 nan 0.000 0.450 119 E N -0.371 119.796 120.200 -0.054 0.000 2.077 119 E HA -0.236 4.117 4.350 0.005 0.000 0.193 119 E C 2.037 178.634 176.600 -0.004 0.000 0.989 119 E CA 1.350 57.738 56.400 -0.020 0.000 0.800 119 E CB -0.231 29.455 29.700 -0.024 0.000 0.746 119 E HN 0.579 nan 8.360 nan 0.000 0.452 120 D N 0.505 120.898 120.400 -0.012 0.000 2.158 120 D HA -0.157 4.486 4.640 0.005 0.000 0.197 120 D C 1.881 178.205 176.300 0.039 0.000 0.995 120 D CA 1.053 55.062 54.000 0.015 0.000 0.846 120 D CB 0.014 40.828 40.800 0.023 0.000 0.941 120 D HN 0.192 nan 8.370 nan 0.000 0.456 121 L N 0.350 121.602 121.223 0.048 0.000 2.416 121 L HA 0.033 4.376 4.340 0.005 0.000 0.216 121 L C 2.714 179.620 176.870 0.060 0.000 1.098 121 L CA 0.170 55.052 54.840 0.070 0.000 0.840 121 L CB -0.178 41.927 42.059 0.077 0.000 0.981 121 L HN 0.156 nan 8.230 nan 0.000 0.462 122 C N -0.648 118.678 119.300 0.043 0.000 2.411 122 C HA -0.127 4.336 4.460 0.005 0.000 0.279 122 C C 2.929 177.943 174.990 0.040 0.000 1.288 122 C CA 0.819 59.862 59.018 0.043 0.000 1.764 122 C CB -1.216 26.544 27.740 0.033 0.000 1.974 122 C HN 0.586 nan 8.230 nan 0.000 0.498 123 S N 0.262 115.984 115.700 0.036 0.000 2.470 123 S HA -0.056 4.418 4.470 0.005 0.000 0.225 123 S C 1.504 176.123 174.600 0.031 0.000 1.006 123 S CA 1.399 59.616 58.200 0.028 0.000 0.934 123 S CB -0.988 62.225 63.200 0.022 0.000 0.778 123 S HN 0.710 nan 8.310 nan 0.000 0.517 124 T N 2.330 116.911 114.554 0.045 0.000 2.821 124 T HA -0.021 4.332 4.350 0.005 0.000 0.267 124 T C 1.653 176.380 174.700 0.044 0.000 1.046 124 T CA 1.405 63.534 62.100 0.049 0.000 1.139 124 T CB -0.260 68.653 68.868 0.074 0.000 0.871 124 T HN 0.551 nan 8.240 nan 0.000 0.454 125 E N 0.495 120.721 120.200 0.043 0.000 2.077 125 E HA -0.167 4.186 4.350 0.005 0.000 0.193 125 E C 2.236 178.834 176.600 -0.003 0.000 0.989 125 E CA 0.915 57.328 56.400 0.022 0.000 0.800 125 E CB 0.037 29.742 29.700 0.009 0.000 0.746 125 E HN 0.249 nan 8.360 nan 0.000 0.452 126 E N -0.331 119.868 120.200 -0.002 0.000 2.152 126 E HA -0.106 4.247 4.350 0.005 0.000 0.192 126 E C 1.853 178.455 176.600 0.003 0.000 0.983 126 E CA 0.524 56.920 56.400 -0.006 0.000 0.818 126 E CB 0.041 29.739 29.700 -0.003 0.000 0.758 126 E HN 0.081 nan 8.360 nan 0.000 0.467 127 V N 1.288 121.209 119.914 0.011 0.000 2.261 127 V HA -0.273 3.850 4.120 0.005 0.000 0.246 127 V C 2.428 178.533 176.094 0.019 0.000 1.047 127 V CA 1.988 64.296 62.300 0.013 0.000 1.015 127 V CB -0.719 31.113 31.823 0.015 0.000 0.642 127 V HN 0.493 nan 8.190 nan 0.000 0.446 128 I N -1.242 119.346 120.570 0.029 0.000 2.394 128 I HA -0.167 4.006 4.170 0.005 0.000 0.251 128 I C 2.528 178.670 176.117 0.042 0.000 1.136 128 I CA 1.548 62.876 61.300 0.047 0.000 1.425 128 I CB -0.583 37.461 38.000 0.073 0.000 1.079 128 I HN 0.050 nan 8.210 nan 0.000 0.425 129 R N 1.205 121.717 120.500 0.021 0.000 2.120 129 R HA -0.042 4.301 4.340 0.005 0.000 0.234 129 R C 1.408 177.717 176.300 0.014 0.000 1.123 129 R CA 1.490 57.597 56.100 0.012 0.000 0.975 129 R CB -0.420 29.871 30.300 -0.016 0.000 0.866 129 R HN 0.548 nan 8.270 nan 0.000 0.446 130 N N 0.557 119.263 118.700 0.010 0.000 2.236 130 N HA -0.046 4.697 4.740 0.005 0.000 0.196 130 N C -0.566 174.946 175.510 0.003 0.000 1.114 130 N CA 0.193 53.247 53.050 0.006 0.000 0.859 130 N CB 0.386 38.875 38.487 0.003 0.000 0.982 130 N HN 0.181 nan 8.380 nan 0.000 0.493 131 D N 1.061 121.464 120.400 0.006 0.000 2.312 131 D HA 0.154 4.797 4.640 0.005 0.000 0.252 131 D C -1.583 174.709 176.300 -0.013 0.000 1.150 131 D CA -1.899 52.099 54.000 -0.002 0.000 0.870 131 D CB 1.935 42.737 40.800 0.003 0.000 1.153 131 D HN -0.106 nan 8.370 nan 0.000 0.457 132 P HA -0.171 nan 4.420 nan 0.000 0.215 132 P C 0.860 178.127 177.300 -0.055 0.000 1.153 132 P CA 1.380 64.461 63.100 -0.032 0.000 0.853 132 P CB 0.114 31.796 31.700 -0.029 0.000 0.788 133 A N -0.741 122.040 122.820 -0.064 0.000 1.902 133 A HA -0.146 4.177 4.320 0.005 0.000 0.217 133 A C 2.333 179.831 177.584 -0.142 0.000 1.181 133 A CA 1.741 53.715 52.037 -0.104 0.000 0.623 133 A CB -1.674 17.261 19.000 -0.107 0.000 0.818 133 A HN 0.032 nan 8.150 nan 0.000 0.443 134 V N 0.238 120.100 119.914 -0.088 0.000 2.295 134 V HA -0.270 3.854 4.120 0.005 0.000 0.246 134 V C 2.416 178.458 176.094 -0.086 0.000 1.049 134 V CA 2.020 64.279 62.300 -0.067 0.000 1.024 134 V CB -0.716 31.148 31.823 0.068 0.000 0.648 134 V HN 0.575 nan 8.190 nan 0.000 0.447 135 I N -0.013 120.529 120.570 -0.047 0.000 2.208 135 I HA -0.292 3.881 4.170 0.005 0.000 0.245 135 I C 2.619 178.689 176.117 -0.078 0.000 1.097 135 I CA 2.006 63.286 61.300 -0.034 0.000 1.363 135 I CB -0.404 37.584 38.000 -0.019 0.000 1.051 135 I HN 0.414 nan 8.210 nan 0.000 0.413 136 E N 0.529 120.663 120.200 -0.111 0.000 2.085 136 E HA -0.277 4.077 4.350 0.005 0.000 0.194 136 E C 2.195 178.674 176.600 -0.201 0.000 0.994 136 E CA 1.244 57.564 56.400 -0.132 0.000 0.801 136 E CB 0.118 29.739 29.700 -0.131 0.000 0.743 136 E HN 0.433 nan 8.360 nan 0.000 0.453 137 Q N -0.169 119.422 119.800 -0.348 0.000 2.172 137 Q HA -0.111 4.232 4.340 0.005 0.000 0.200 137 Q C 2.385 178.145 176.000 -0.401 0.000 0.964 137 Q CA 0.982 56.426 55.803 -0.599 0.000 0.855 137 Q CB -0.533 27.384 28.738 -1.369 0.000 0.918 137 Q HN 0.442 nan 8.270 nan 0.000 0.444 138 C N -0.176 119.020 119.300 -0.173 0.000 2.429 138 C HA -0.068 4.395 4.460 0.005 0.000 0.277 138 C C 2.856 177.843 174.990 -0.005 0.000 1.262 138 C CA 0.428 59.479 59.018 0.055 0.000 1.733 138 C CB -0.979 26.827 27.740 0.110 0.000 2.010 138 C HN 0.245 nan 8.230 nan 0.000 0.483 139 V N 1.038 120.925 119.914 -0.044 0.000 2.295 139 V HA -0.235 3.888 4.120 0.005 0.000 0.246 139 V C 2.365 178.429 176.094 -0.049 0.000 1.049 139 V CA 1.874 64.149 62.300 -0.042 0.000 1.024 139 V CB -0.674 31.123 31.823 -0.043 0.000 0.648 139 V HN 0.556 nan 8.190 nan 0.000 0.447 140 L N -0.025 121.155 121.223 -0.072 0.000 2.127 140 L HA -0.150 4.193 4.340 0.005 0.000 0.211 140 L C 2.287 179.135 176.870 -0.037 0.000 1.089 140 L CA 1.514 56.315 54.840 -0.064 0.000 0.757 140 L CB -0.466 41.536 42.059 -0.096 0.000 0.899 140 L HN 0.314 nan 8.230 nan 0.000 0.434 141 S N -0.666 115.024 115.700 -0.016 0.000 2.603 141 S HA 0.152 4.625 4.470 0.005 0.000 0.220 141 S C 1.360 175.945 174.600 -0.025 0.000 0.967 141 S CA 0.706 58.918 58.200 0.020 0.000 0.920 141 S CB 0.441 63.718 63.200 0.130 0.000 0.773 141 S HN 0.665 nan 8.310 nan 0.000 0.529 142 G N 1.222 109.997 108.800 -0.043 0.000 2.163 142 G HA2 -0.195 3.768 3.960 0.005 0.000 0.213 142 G HA3 -0.195 3.768 3.960 0.005 0.000 0.213 142 G C -0.088 174.753 174.900 -0.098 0.000 0.991 142 G CA -0.489 44.570 45.100 -0.067 0.000 0.653 142 G HN 0.478 nan 8.290 nan 0.000 0.518 143 I N 2.251 122.772 120.570 -0.082 0.000 2.355 143 I HA 0.353 4.526 4.170 0.005 0.000 0.288 143 I C -2.076 174.031 176.117 -0.017 0.000 0.999 143 I CA -2.542 58.712 61.300 -0.076 0.000 1.163 143 I CB 1.932 39.895 38.000 -0.062 0.000 1.316 143 I HN -0.157 nan 8.210 nan 0.000 0.454 144 P HA 0.055 nan 4.420 nan 0.000 0.269 144 P C 0.547 177.860 177.300 0.021 0.000 1.209 144 P CA -0.177 62.928 63.100 0.009 0.000 0.776 144 P CB 0.918 32.630 31.700 0.020 0.000 0.876 145 A N 3.283 126.111 122.820 0.014 0.000 2.032 145 A HA -0.233 4.090 4.320 0.005 0.000 0.221 145 A C 1.490 179.095 177.584 0.036 0.000 1.165 145 A CA 2.018 54.066 52.037 0.018 0.000 0.645 145 A CB -1.292 17.711 19.000 0.006 0.000 0.807 145 A HN 0.721 nan 8.150 nan 0.000 0.453 146 N N -0.395 118.333 118.700 0.045 0.000 2.383 146 N HA 0.005 4.749 4.740 0.005 0.000 0.192 146 N C 0.323 175.904 175.510 0.119 0.000 1.141 146 N CA 0.609 53.700 53.050 0.070 0.000 0.851 146 N CB -0.182 38.339 38.487 0.058 0.000 0.976 146 N HN 0.618 nan 8.380 nan 0.000 0.465 147 E N -0.221 120.031 120.200 0.086 0.000 2.651 147 E HA 0.213 4.566 4.350 0.005 0.000 0.208 147 E C 0.720 177.294 176.600 -0.043 0.000 0.997 147 E CA -0.306 56.117 56.400 0.038 0.000 1.020 147 E CB 0.234 29.961 29.700 0.045 0.000 1.052 147 E HN 0.147 nan 8.360 nan 0.000 0.465 148 M N 0.859 120.480 119.600 0.035 0.000 2.358 148 M HA -0.138 4.345 4.480 0.005 0.000 0.264 148 M C 2.052 178.329 176.300 -0.038 0.000 1.064 148 M CA 1.399 56.710 55.300 0.017 0.000 1.093 148 M CB -1.066 31.556 32.600 0.037 0.000 1.401 148 M HN 0.380 nan 8.290 nan 0.000 0.440 149 H N -0.622 118.429 119.070 -0.033 0.000 2.545 149 H HA -0.019 4.540 4.556 0.005 0.000 0.282 149 H C 1.019 176.270 175.328 -0.128 0.000 1.020 149 H CA 0.854 56.842 56.048 -0.099 0.000 1.243 149 H CB -0.379 29.348 29.762 -0.059 0.000 1.377 149 H HN 0.368 nan 8.280 nan 0.000 0.581 150 K N 1.049 121.154 120.400 -0.493 0.000 2.404 150 K HA 0.188 4.511 4.320 0.005 0.000 0.194 150 K C 0.079 176.702 176.600 0.038 0.000 1.023 150 K CA -0.046 56.089 56.287 -0.253 0.000 1.094 150 K CB 1.029 33.341 32.500 -0.314 0.000 0.841 150 K HN 0.030 nan 8.250 nan 0.000 0.523 151 V N 1.954 121.853 119.914 -0.026 0.000 2.439 151 V HA 0.216 4.339 4.120 0.005 0.000 0.282 151 V C -0.663 175.378 176.094 -0.089 0.000 1.039 151 V CA -0.532 61.830 62.300 0.103 0.000 0.913 151 V CB 0.335 32.219 31.823 0.102 0.000 0.983 151 V HN 0.033 nan 8.190 nan 0.000 0.460 152 Y N 2.728 123.069 120.300 0.067 0.000 2.602 152 Y HA 0.761 5.314 4.550 0.005 0.000 0.342 152 Y C 0.218 176.181 175.900 0.106 0.000 1.029 152 Y CA -0.927 57.212 58.100 0.064 0.000 1.080 152 Y CB 2.081 40.555 38.460 0.023 0.000 1.284 152 Y HN 0.852 nan 8.280 nan 0.000 0.485 153 C N -1.176 118.286 119.300 0.270 0.000 2.985 153 C HA 0.633 5.096 4.460 0.005 0.000 0.314 153 C C -1.480 173.676 174.990 0.277 0.000 1.215 153 C CA -1.009 58.158 59.018 0.248 0.000 1.414 153 C CB 1.502 29.326 27.740 0.140 0.000 1.842 153 C HN 0.745 nan 8.230 nan 0.000 0.477 154 D N 4.357 124.972 120.400 0.358 0.000 2.347 154 D HA 0.402 5.045 4.640 0.005 0.000 0.235 154 D C -2.255 174.308 176.300 0.439 0.000 1.149 154 D CA -1.099 53.144 54.000 0.404 0.000 0.850 154 D CB 1.454 42.606 40.800 0.586 0.000 1.061 154 D HN 0.521 nan 8.370 nan 0.000 0.487 155 P HA 0.158 nan 4.420 nan 0.000 0.286 155 P C -0.690 176.845 177.300 0.393 0.000 1.321 155 P CA -0.511 62.763 63.100 0.290 0.000 0.790 155 P CB 0.251 32.059 31.700 0.181 0.000 0.897 156 W N 1.469 122.847 121.300 0.130 0.000 2.509 156 W HA 0.370 5.033 4.660 0.005 0.000 0.351 156 W C 1.078 177.719 176.519 0.204 0.000 1.107 156 W CA -0.428 57.045 57.345 0.213 0.000 1.264 156 W CB 0.802 30.350 29.460 0.146 0.000 1.312 156 W HN 0.167 nan 8.180 nan 0.000 0.608 157 T N 2.434 117.260 114.554 0.453 0.000 2.946 157 T HA -0.078 4.275 4.350 0.005 0.000 0.312 157 T C 1.233 176.065 174.700 0.220 0.000 1.066 157 T CA 0.085 62.312 62.100 0.212 0.000 1.138 157 T CB 0.234 69.104 68.868 0.003 0.000 1.014 157 T HN 0.477 nan 8.240 nan 0.000 0.544 158 I N 3.411 124.056 120.570 0.125 0.000 2.700 158 I HA 0.030 4.203 4.170 0.005 0.000 0.261 158 I C 1.757 177.912 176.117 0.062 0.000 1.219 158 I CA 1.551 62.899 61.300 0.081 0.000 1.463 158 I CB -0.741 37.286 38.000 0.045 0.000 1.092 158 I HN 1.108 nan 8.210 nan 0.000 0.452 159 G N 0.392 109.230 108.800 0.063 0.000 4.766 159 G HA2 -0.388 3.576 3.960 0.005 0.000 0.314 159 G HA3 -0.388 3.576 3.960 0.005 0.000 0.314 159 G C 0.008 175.015 174.900 0.179 0.000 1.427 159 G CA 0.540 45.638 45.100 -0.004 0.000 1.024 159 G HN 0.448 nan 8.290 nan 0.000 0.754 160 Y N 1.825 122.160 120.300 0.058 0.000 2.436 160 Y HA 0.587 5.140 4.550 0.006 0.000 0.327 160 Y C -2.140 173.816 175.900 0.093 0.000 1.138 160 Y CA -0.601 57.556 58.100 0.095 0.000 1.042 160 Y CB 2.144 40.658 38.460 0.090 0.000 1.302 160 Y HN 0.450 nan 8.280 nan 0.000 0.439 161 D N 5.391 125.396 120.400 -0.659 0.000 2.620 161 D HA 0.127 4.770 4.640 0.005 0.000 0.252 161 D C 0.475 176.317 176.300 -0.764 0.000 1.207 161 D CA -0.250 53.466 54.000 -0.474 0.000 0.884 161 D CB 1.501 42.310 40.800 0.015 0.000 1.262 161 D HN 0.848 nan 8.370 nan 0.000 0.552 162 E N 3.597 123.406 120.200 -0.653 0.000 2.472 162 E HA -0.152 4.201 4.350 0.005 0.000 0.200 162 E C 0.817 177.198 176.600 -0.366 0.000 1.046 162 E CA 0.488 56.645 56.400 -0.406 0.000 0.871 162 E CB 0.049 29.689 29.700 -0.099 0.000 0.806 162 E HN 0.454 nan 8.360 nan 0.000 0.533 163 R N -0.612 119.563 120.500 -0.541 0.000 2.153 163 R HA 0.041 4.384 4.340 0.005 0.000 0.218 163 R C 1.306 177.017 176.300 -0.982 0.000 1.072 163 R CA 1.256 56.808 56.100 -0.914 0.000 0.990 163 R CB 0.066 29.429 30.300 -1.563 0.000 0.889 163 R HN 0.329 nan 8.270 nan 0.000 0.452 164 W N -0.617 120.578 121.300 -0.175 0.000 2.592 164 W HA 0.325 4.988 4.660 0.005 0.000 0.306 164 W C 1.003 177.478 176.519 -0.073 0.000 0.991 164 W CA 0.404 57.683 57.345 -0.110 0.000 1.430 164 W CB -0.020 29.384 29.460 -0.093 0.000 1.017 164 W HN 0.212 nan 8.180 nan 0.000 0.557 165 G N 2.202 111.034 108.800 0.053 0.000 2.634 165 G HA2 -0.431 3.532 3.960 0.005 0.000 0.309 165 G HA3 -0.431 3.532 3.960 0.005 0.000 0.309 165 G C 0.790 175.812 174.900 0.204 0.000 1.265 165 G CA 2.201 47.394 45.100 0.155 0.000 0.998 165 G HN 0.149 nan 8.290 nan 0.000 0.551 166 T N -1.629 113.047 114.554 0.203 0.000 3.145 166 T HA 0.493 4.846 4.350 0.005 0.000 0.255 166 T C 2.027 176.797 174.700 0.115 0.000 1.039 166 T CA 1.046 63.243 62.100 0.162 0.000 0.928 166 T CB 0.630 69.594 68.868 0.159 0.000 1.029 166 T HN 1.542 nan 8.240 nan 0.000 0.554 167 G N 1.445 110.322 108.800 0.127 0.000 2.471 167 G HA2 0.085 4.048 3.960 0.005 0.000 0.219 167 G HA3 0.085 4.048 3.960 0.005 0.000 0.219 167 G C 0.446 175.393 174.900 0.078 0.000 1.125 167 G CA 0.073 45.235 45.100 0.103 0.000 0.775 167 G HN 0.486 nan 8.290 nan 0.000 0.548 168 K N -0.633 119.810 120.400 0.071 0.000 2.435 168 K HA 0.416 4.739 4.320 0.005 0.000 0.251 168 K C -0.802 175.797 176.600 -0.002 0.000 0.954 168 K CA -0.925 55.366 56.287 0.007 0.000 0.820 168 K CB 2.366 34.830 32.500 -0.061 0.000 1.292 168 K HN -0.051 nan 8.250 nan 0.000 0.436 169 R N 3.171 123.660 120.500 -0.018 0.000 2.242 169 R HA 0.287 4.630 4.340 0.005 0.000 0.334 169 R C -1.001 175.278 176.300 -0.035 0.000 1.071 169 R CA -0.091 56.003 56.100 -0.010 0.000 0.922 169 R CB 0.097 30.392 30.300 -0.008 0.000 1.023 169 R HN 0.467 nan 8.270 nan 0.000 0.458 170 L N 3.882 125.089 121.223 -0.027 0.000 2.362 170 L HA 0.456 4.799 4.340 0.005 0.000 0.271 170 L C -0.352 176.518 176.870 -0.001 0.000 1.002 170 L CA -0.932 53.872 54.840 -0.061 0.000 0.818 170 L CB 2.350 44.328 42.059 -0.134 0.000 1.298 170 L HN 0.577 nan 8.230 nan 0.000 0.420 171 Q N 1.747 121.549 119.800 0.003 0.000 2.387 171 Q HA 0.435 4.778 4.340 0.005 0.000 0.273 171 Q C -1.309 174.722 176.000 0.051 0.000 1.089 171 Q CA -0.856 54.989 55.803 0.070 0.000 0.824 171 Q CB 3.012 31.810 28.738 0.099 0.000 1.367 171 Q HN 0.532 nan 8.270 nan 0.000 0.443 172 Q N -0.042 119.818 119.800 0.099 0.000 2.316 172 Q HA 0.750 5.093 4.340 0.005 0.000 0.264 172 Q C -1.360 174.680 176.000 0.068 0.000 0.987 172 Q CA -0.943 54.890 55.803 0.049 0.000 0.852 172 Q CB 1.712 30.448 28.738 -0.002 0.000 1.287 172 Q HN 0.551 nan 8.270 nan 0.000 0.448 173 A N 5.160 128.001 122.820 0.034 0.000 2.294 173 A HA 0.421 4.744 4.320 0.005 0.000 0.316 173 A C -0.295 177.261 177.584 -0.047 0.000 1.359 173 A CA -0.780 51.284 52.037 0.045 0.000 0.956 173 A CB 0.134 19.168 19.000 0.056 0.000 1.155 173 A HN 0.828 nan 8.150 nan 0.000 0.544 174 L N 3.853 125.041 121.223 -0.058 0.000 2.325 174 L HA 0.265 4.608 4.340 0.005 0.000 0.284 174 L C -0.359 176.415 176.870 -0.160 0.000 1.089 174 L CA -0.437 54.296 54.840 -0.178 0.000 0.836 174 L CB 0.719 42.647 42.059 -0.220 0.000 1.184 174 L HN 0.368 nan 8.230 nan 0.000 0.444 175 V N 4.263 123.938 119.914 -0.399 0.000 2.481 175 V HA 0.408 4.531 4.120 0.005 0.000 0.286 175 V C -0.442 175.323 176.094 -0.548 0.000 1.042 175 V CA -0.334 61.759 62.300 -0.345 0.000 0.928 175 V CB 1.309 32.836 31.823 -0.493 0.000 0.986 175 V HN 0.440 nan 8.190 nan 0.000 0.462 176 Y N 2.621 122.917 120.300 -0.007 0.000 2.669 176 Y HA 0.622 5.175 4.550 0.005 0.000 0.335 176 Y C -0.875 175.142 175.900 0.196 0.000 1.116 176 Y CA -0.961 57.165 58.100 0.043 0.000 1.081 176 Y CB 1.987 40.395 38.460 -0.086 0.000 1.297 176 Y HN 0.578 nan 8.280 nan 0.000 0.484 177 Y N 1.177 121.644 120.300 0.278 0.000 2.406 177 Y HA 0.664 5.217 4.550 0.005 0.000 0.340 177 Y C -1.218 174.825 175.900 0.239 0.000 0.975 177 Y CA -1.313 56.930 58.100 0.237 0.000 1.056 177 Y CB 1.327 39.901 38.460 0.190 0.000 1.210 177 Y HN 0.535 nan 8.280 nan 0.000 0.448 178 R N 3.794 123.955 120.500 -0.564 0.000 2.437 178 R HA 0.358 4.701 4.340 0.005 0.000 0.310 178 R C 0.417 176.049 176.300 -1.113 0.000 0.955 178 R CA -0.576 55.053 56.100 -0.785 0.000 0.851 178 R CB 1.889 31.810 30.300 -0.632 0.000 1.161 178 R HN 0.800 nan 8.270 nan 0.000 0.446 179 S N 0.944 116.010 115.700 -1.057 0.000 2.428 179 S HA -0.111 4.362 4.470 0.005 0.000 0.230 179 S C 0.285 174.667 174.600 -0.362 0.000 1.014 179 S CA 1.075 58.944 58.200 -0.552 0.000 0.957 179 S CB -0.060 62.980 63.200 -0.266 0.000 0.784 179 S HN 0.680 nan 8.310 nan 0.000 0.499 180 D N -0.758 119.393 120.400 -0.416 0.000 2.753 180 D HA 0.187 4.830 4.640 0.005 0.000 0.224 180 D C 0.606 176.749 176.300 -0.260 0.000 1.213 180 D CA -0.540 53.316 54.000 -0.240 0.000 0.833 180 D CB 1.105 41.796 40.800 -0.181 0.000 1.607 180 D HN 0.055 nan 8.370 nan 0.000 0.463 181 E N 1.328 121.443 120.200 -0.140 0.000 2.267 181 E HA -0.221 4.132 4.350 0.005 0.000 0.197 181 E C 0.159 176.633 176.600 -0.209 0.000 0.998 181 E CA 1.059 57.385 56.400 -0.122 0.000 0.830 181 E CB 0.012 29.704 29.700 -0.014 0.000 0.751 181 E HN 0.376 nan 8.360 nan 0.000 0.491 182 D N 1.121 121.396 120.400 -0.208 0.000 2.349 182 D HA 0.028 4.671 4.640 0.005 0.000 0.215 182 D C -0.269 175.878 176.300 -0.256 0.000 1.016 182 D CA 0.216 54.079 54.000 -0.228 0.000 0.870 182 D CB -0.110 40.574 40.800 -0.194 0.000 0.917 182 D HN 0.139 nan 8.370 nan 0.000 0.524 183 D N 0.254 120.444 120.400 -0.350 0.000 2.400 183 D HA -0.025 4.618 4.640 0.005 0.000 0.238 183 D C 0.196 176.262 176.300 -0.389 0.000 1.157 183 D CA 0.347 54.069 54.000 -0.462 0.000 0.889 183 D CB 0.772 41.153 40.800 -0.698 0.000 1.199 183 D HN -0.206 nan 8.370 nan 0.000 0.436 184 S N 0.513 115.999 115.700 -0.356 0.000 2.448 184 S HA 0.012 4.485 4.470 0.005 0.000 0.279 184 S C 1.264 175.845 174.600 -0.032 0.000 1.195 184 S CA -0.581 57.522 58.200 -0.161 0.000 1.051 184 S CB 0.407 63.553 63.200 -0.090 0.000 0.948 184 S HN 0.380 nan 8.310 nan 0.000 0.493 185 Q N 4.294 123.971 119.800 -0.206 0.000 2.436 185 Q HA -0.113 4.230 4.340 0.005 0.000 0.209 185 Q C 0.349 176.260 176.000 -0.149 0.000 0.965 185 Q CA 1.363 57.028 55.803 -0.230 0.000 0.910 185 Q CB -0.388 28.033 28.738 -0.528 0.000 0.980 185 Q HN 0.894 nan 8.270 nan 0.000 0.491 186 Y N 1.880 122.181 120.300 0.002 0.000 2.571 186 Y HA -0.048 4.505 4.550 0.005 0.000 0.294 186 Y C 2.573 178.692 175.900 0.365 0.000 1.141 186 Y CA 1.031 59.179 58.100 0.079 0.000 1.308 186 Y CB 0.141 38.641 38.460 0.067 0.000 1.002 186 Y HN 0.340 nan 8.280 nan 0.000 0.551 187 S N -1.484 114.490 115.700 0.458 0.000 2.515 187 S HA -0.106 4.367 4.470 0.005 0.000 0.231 187 S C 0.272 174.892 174.600 0.035 0.000 0.987 187 S CA 0.716 59.103 58.200 0.311 0.000 0.936 187 S CB -0.453 62.834 63.200 0.146 0.000 0.766 187 S HN 0.484 nan 8.310 nan 0.000 0.528 188 H N 1.958 121.114 119.070 0.143 0.000 2.471 188 H HA 0.430 4.989 4.556 0.005 0.000 0.234 188 H C -2.811 172.636 175.328 0.199 0.000 1.388 188 H CA -1.875 54.251 56.048 0.129 0.000 1.198 188 H CB 0.563 30.385 29.762 0.101 0.000 1.714 188 H HN 0.352 nan 8.280 nan 0.000 0.536 189 P HA 0.008 nan 4.420 nan 0.000 0.272 189 P C 0.043 177.189 177.300 -0.257 0.000 1.223 189 P CA 0.040 62.991 63.100 -0.247 0.000 0.784 189 P CB 1.719 33.242 31.700 -0.293 0.000 0.923 190 L N 1.863 122.866 121.223 -0.368 0.000 2.416 190 L HA 0.251 4.594 4.340 0.005 0.000 0.263 190 L C 1.727 178.397 176.870 -0.334 0.000 1.065 190 L CA -0.484 54.172 54.840 -0.307 0.000 0.798 190 L CB 0.639 42.481 42.059 -0.362 0.000 1.267 190 L HN 0.363 nan 8.230 nan 0.000 0.467 191 D N -0.666 119.655 120.400 -0.131 0.000 2.348 191 D HA -0.026 4.617 4.640 0.005 0.000 0.211 191 D C 0.076 176.526 176.300 0.251 0.000 0.998 191 D CA 0.270 54.294 54.000 0.040 0.000 0.873 191 D CB -0.043 40.811 40.800 0.091 0.000 0.925 191 D HN 0.242 nan 8.370 nan 0.000 0.524 192 F N -0.964 119.041 119.950 0.091 0.000 2.594 192 F HA 0.638 5.168 4.527 0.005 0.000 0.335 192 F C -0.709 175.115 175.800 0.039 0.000 1.058 192 F CA -2.104 55.937 58.000 0.068 0.000 0.981 192 F CB 1.376 40.390 39.000 0.024 0.000 1.289 192 F HN -0.140 nan 8.300 nan 0.000 0.490 193 C N 3.696 123.114 119.300 0.197 0.000 2.654 193 C HA 0.584 5.047 4.460 0.005 0.000 0.315 193 C C -2.809 172.277 174.990 0.160 0.000 1.054 193 C CA -2.056 56.997 59.018 0.059 0.000 1.419 193 C CB -0.076 27.650 27.740 -0.024 0.000 1.889 193 C HN 0.656 nan 8.230 nan 0.000 0.447 194 P HA 0.260 nan 4.420 nan 0.000 0.271 194 P C -0.591 176.760 177.300 0.085 0.000 1.216 194 P CA 0.058 63.247 63.100 0.148 0.000 0.776 194 P CB 0.389 32.178 31.700 0.149 0.000 0.881 195 I N 3.355 123.968 120.570 0.072 0.000 2.354 195 I HA 0.289 4.462 4.170 0.005 0.000 0.292 195 I C -0.056 176.013 176.117 -0.080 0.000 0.989 195 I CA -0.660 60.623 61.300 -0.029 0.000 1.188 195 I CB 1.262 39.186 38.000 -0.126 0.000 1.342 195 I HN 0.042 nan 8.210 nan 0.000 0.457 196 V N 5.032 124.896 119.914 -0.083 0.000 2.540 196 V HA 0.282 4.405 4.120 0.005 0.000 0.302 196 V C -0.091 175.945 176.094 -0.096 0.000 1.035 196 V CA -0.825 61.437 62.300 -0.063 0.000 0.873 196 V CB 2.314 34.133 31.823 -0.007 0.000 0.992 196 V HN 0.630 nan 8.190 nan 0.000 0.428 197 D N 3.111 123.451 120.400 -0.100 0.000 2.336 197 D HA 0.107 4.750 4.640 0.005 0.000 0.249 197 D C 1.231 177.504 176.300 -0.045 0.000 1.213 197 D CA 0.167 54.112 54.000 -0.091 0.000 0.870 197 D CB 1.776 42.521 40.800 -0.091 0.000 1.076 197 D HN 0.618 nan 8.370 nan 0.000 0.483 198 T N 3.401 117.936 114.554 -0.031 0.000 2.720 198 T HA -0.148 4.205 4.350 0.005 0.000 0.268 198 T C 1.355 176.049 174.700 -0.010 0.000 1.037 198 T CA 1.066 63.161 62.100 -0.007 0.000 1.144 198 T CB 0.246 69.116 68.868 0.004 0.000 0.864 198 T HN 0.450 nan 8.240 nan 0.000 0.444 199 E N 0.582 120.771 120.200 -0.019 0.000 2.216 199 E HA 0.041 4.394 4.350 0.005 0.000 0.192 199 E C 2.187 178.776 176.600 -0.018 0.000 0.973 199 E CA 0.522 56.910 56.400 -0.019 0.000 0.851 199 E CB -0.045 29.640 29.700 -0.025 0.000 0.804 199 E HN 0.431 nan 8.360 nan 0.000 0.477 200 E N 0.862 121.049 120.200 -0.022 0.000 2.442 200 E HA 0.010 4.363 4.350 0.005 0.000 0.195 200 E C -0.114 176.478 176.600 -0.015 0.000 1.030 200 E CA 0.042 56.431 56.400 -0.019 0.000 0.869 200 E CB 0.078 29.765 29.700 -0.022 0.000 0.857 200 E HN 0.163 nan 8.360 nan 0.000 0.505 201 K N 1.164 121.556 120.400 -0.014 0.000 3.257 201 K HA -0.218 4.105 4.320 0.005 0.000 0.270 201 K C -0.282 176.313 176.600 -0.009 0.000 0.984 201 K CA 0.779 57.062 56.287 -0.008 0.000 0.739 201 K CB -1.438 31.060 32.500 -0.002 0.000 1.351 201 K HN 0.254 nan 8.250 nan 0.000 0.463 202 K N -2.070 118.320 120.400 -0.016 0.000 2.527 202 K HA 0.472 4.795 4.320 0.005 0.000 0.260 202 K C -0.512 176.074 176.600 -0.023 0.000 0.937 202 K CA -1.190 55.088 56.287 -0.015 0.000 0.826 202 K CB 1.777 34.269 32.500 -0.014 0.000 1.359 202 K HN -0.097 nan 8.250 nan 0.000 0.434 203 V N 3.837 123.743 119.914 -0.013 0.000 2.508 203 V HA 0.074 4.197 4.120 0.005 0.000 0.281 203 V C 1.255 177.340 176.094 -0.014 0.000 1.041 203 V CA -0.136 62.157 62.300 -0.012 0.000 1.016 203 V CB 0.350 32.176 31.823 0.004 0.000 0.984 203 V HN 0.868 nan 8.190 nan 0.000 0.478 204 I N 1.468 122.021 120.570 -0.029 0.000 4.070 204 I HA 0.535 4.708 4.170 0.005 0.000 0.328 204 I C 0.117 176.338 176.117 0.173 0.000 1.298 204 I CA 0.505 61.808 61.300 0.006 0.000 1.173 204 I CB 0.483 38.411 38.000 -0.119 0.000 1.051 204 I HN 0.451 nan 8.210 nan 0.000 0.409 205 F N 1.076 121.005 119.950 -0.034 0.000 2.725 205 F HA 0.628 5.158 4.527 0.005 0.000 0.309 205 F C -1.891 173.950 175.800 0.069 0.000 1.132 205 F CA -1.042 57.001 58.000 0.071 0.000 0.957 205 F CB 1.825 40.956 39.000 0.220 0.000 1.286 205 F HN -0.237 nan 8.300 nan 0.000 0.440 206 I N 3.691 124.033 120.570 -0.379 0.000 2.468 206 I HA 0.266 4.439 4.170 0.005 0.000 0.285 206 I C -1.290 174.799 176.117 -0.046 0.000 1.039 206 I CA -0.837 60.412 61.300 -0.086 0.000 1.074 206 I CB 1.730 39.669 38.000 -0.102 0.000 1.228 206 I HN 0.350 nan 8.210 nan 0.000 0.436 207 D N 7.602 128.170 120.400 0.280 0.000 2.358 207 D HA 0.371 5.015 4.640 0.005 0.000 0.258 207 D C -0.214 176.227 176.300 0.234 0.000 1.223 207 D CA 0.466 54.678 54.000 0.353 0.000 0.886 207 D CB 1.337 42.362 40.800 0.375 0.000 1.120 207 D HN 0.309 nan 8.370 nan 0.000 0.482 208 I N 4.807 125.481 120.570 0.172 0.000 2.406 208 I HA 0.225 4.398 4.170 0.005 0.000 0.290 208 I C -1.907 174.293 176.117 0.138 0.000 0.999 208 I CA -1.924 59.458 61.300 0.136 0.000 1.124 208 I CB 2.003 40.019 38.000 0.025 0.000 1.289 208 I HN 0.089 nan 8.210 nan 0.000 0.441 209 P HA 0.210 nan 4.420 nan 0.000 0.274 209 P C -0.164 177.195 177.300 0.097 0.000 1.231 209 P CA -0.352 62.835 63.100 0.145 0.000 0.790 209 P CB 0.966 32.785 31.700 0.198 0.000 0.951 210 N N 0.594 119.340 118.700 0.077 0.000 2.188 210 N HA -0.103 4.641 4.740 0.005 0.000 0.184 210 N C 0.962 176.504 175.510 0.053 0.000 1.018 210 N CA 0.958 54.037 53.050 0.049 0.000 0.858 210 N CB -0.078 38.429 38.487 0.034 0.000 0.989 210 N HN 0.454 nan 8.380 nan 0.000 0.426 211 R N 1.953 122.498 120.500 0.074 0.000 2.198 211 R HA 0.132 4.475 4.340 0.005 0.000 0.339 211 R C -0.653 175.694 176.300 0.078 0.000 1.020 211 R CA -0.530 55.612 56.100 0.070 0.000 0.864 211 R CB 0.491 30.838 30.300 0.079 0.000 1.105 211 R HN -0.126 nan 8.270 nan 0.000 0.463 212 R N 3.448 123.982 120.500 0.055 0.000 2.490 212 R HA 0.221 4.564 4.340 0.005 0.000 0.280 212 R C -0.370 175.952 176.300 0.037 0.000 1.077 212 R CA -0.441 55.691 56.100 0.054 0.000 1.065 212 R CB 0.612 30.932 30.300 0.033 0.000 1.003 212 R HN 0.525 nan 8.270 nan 0.000 0.470 213 R N 1.495 122.013 120.500 0.030 0.000 2.451 213 R HA 0.302 4.645 4.340 0.005 0.000 0.307 213 R C -0.299 175.992 176.300 -0.015 0.000 0.965 213 R CA -0.477 55.618 56.100 -0.008 0.000 0.865 213 R CB 1.820 32.091 30.300 -0.049 0.000 1.174 213 R HN 0.360 nan 8.270 nan 0.000 0.455 214 K N 0.902 121.292 120.400 -0.017 0.000 2.138 214 K HA 0.212 4.535 4.320 0.005 0.000 0.251 214 K C 0.056 176.632 176.600 -0.041 0.000 1.015 214 K CA -0.614 55.660 56.287 -0.021 0.000 0.917 214 K CB 1.127 33.611 32.500 -0.027 0.000 1.021 214 K HN 0.214 nan 8.250 nan 0.000 0.485 215 V N 1.973 121.858 119.914 -0.049 0.000 2.720 215 V HA -0.100 4.023 4.120 0.005 0.000 0.307 215 V C 0.330 176.410 176.094 -0.022 0.000 1.071 215 V CA 0.537 62.805 62.300 -0.052 0.000 1.199 215 V CB 1.180 32.914 31.823 -0.148 0.000 0.900 215 V HN 0.849 nan 8.190 nan 0.000 0.494 216 S N 5.209 120.909 115.700 0.001 0.000 2.558 216 S HA 0.117 4.590 4.470 0.005 0.000 0.288 216 S C 0.888 175.555 174.600 0.112 0.000 1.318 216 S CA 0.098 58.297 58.200 -0.002 0.000 1.056 216 S CB 0.388 63.466 63.200 -0.203 0.000 0.853 216 S HN 0.842 nan 8.310 nan 0.000 0.505 217 K N 2.570 122.960 120.400 -0.017 0.000 2.374 217 K HA 0.103 4.427 4.320 0.005 0.000 0.196 217 K C 0.265 176.857 176.600 -0.013 0.000 1.023 217 K CA -0.119 56.154 56.287 -0.024 0.000 1.103 217 K CB 0.039 32.468 32.500 -0.118 0.000 0.848 217 K HN 0.680 nan 8.250 nan 0.000 0.528 218 H N 1.904 121.075 119.070 0.170 0.000 2.679 218 H HA 0.110 4.669 4.556 0.005 0.000 0.369 218 H C 0.367 175.907 175.328 0.353 0.000 1.178 218 H CA 0.309 56.468 56.048 0.184 0.000 1.419 218 H CB 0.657 30.460 29.762 0.068 0.000 1.458 218 H HN -0.120 nan 8.280 nan 0.000 0.605 219 K N 1.194 121.856 120.400 0.437 0.000 2.380 219 K HA -0.018 4.305 4.320 0.005 0.000 0.267 219 K C -0.133 176.777 176.600 0.517 0.000 0.990 219 K CA 0.070 56.597 56.287 0.402 0.000 0.946 219 K CB 0.211 32.897 32.500 0.309 0.000 0.937 219 K HN 0.475 nan 8.250 nan 0.000 0.491 220 H N -0.006 119.216 119.070 0.255 0.000 2.790 220 H HA 0.077 4.636 4.556 0.005 0.000 0.358 220 H C -0.121 175.207 175.328 -0.001 0.000 1.103 220 H CA 0.295 56.442 56.048 0.164 0.000 1.426 220 H CB 0.715 30.422 29.762 -0.091 0.000 1.424 220 H HN 0.621 nan 8.280 nan 0.000 0.599 221 A N 4.308 127.045 122.820 -0.139 0.000 2.527 221 A HA 0.205 4.528 4.320 0.005 0.000 0.313 221 A C -0.066 177.352 177.584 -0.277 0.000 1.410 221 A CA -0.656 51.162 52.037 -0.365 0.000 1.060 221 A CB -0.512 17.999 19.000 -0.815 0.000 1.137 221 A HN 0.657 nan 8.150 nan 0.000 0.542 222 N N 0.841 119.392 118.700 -0.248 0.000 2.483 222 N HA 0.676 5.419 4.740 0.005 0.000 0.285 222 N C -0.102 175.307 175.510 -0.167 0.000 1.210 222 N CA -0.431 52.346 53.050 -0.454 0.000 0.931 222 N CB 1.227 39.109 38.487 -1.008 0.000 1.220 222 N HN 0.581 nan 8.380 nan 0.000 0.542 223 F N -2.440 117.490 119.950 -0.034 0.000 2.974 223 F HA 0.436 4.966 4.527 0.005 0.000 0.357 223 F C -0.349 175.491 175.800 0.067 0.000 1.114 223 F CA -0.745 57.254 58.000 -0.002 0.000 1.099 223 F CB -0.551 38.365 39.000 -0.140 0.000 1.205 223 F HN 0.179 nan 8.300 nan 0.000 0.535 224 Y N 2.915 123.361 120.300 0.244 0.000 2.379 224 Y HA 0.301 4.854 4.550 0.005 0.000 0.337 224 Y C -1.059 174.881 175.900 0.067 0.000 1.238 224 Y CA -1.414 56.783 58.100 0.163 0.000 1.405 224 Y CB 0.081 38.536 38.460 -0.008 0.000 1.310 224 Y HN -0.213 nan 8.280 nan 0.000 0.569 225 P HA -0.269 nan 4.420 nan 0.000 0.216 225 P C 1.058 178.369 177.300 0.019 0.000 1.154 225 P CA 2.647 65.792 63.100 0.075 0.000 0.865 225 P CB 0.128 31.863 31.700 0.059 0.000 0.789 226 K N -0.975 119.382 120.400 -0.071 0.000 2.097 226 K HA -0.203 4.120 4.320 0.005 0.000 0.206 226 K C 1.759 178.290 176.600 -0.115 0.000 1.049 226 K CA 1.680 57.881 56.287 -0.144 0.000 0.933 226 K CB -1.265 31.086 32.500 -0.249 0.000 0.717 226 K HN 0.253 nan 8.250 nan 0.000 0.442 227 H N 0.159 119.250 119.070 0.034 0.000 2.357 227 H HA 0.022 4.581 4.556 0.005 0.000 0.301 227 H C 2.149 177.501 175.328 0.039 0.000 1.082 227 H CA 1.556 57.618 56.048 0.023 0.000 1.342 227 H CB -0.004 29.760 29.762 0.003 0.000 1.389 227 H HN 0.080 nan 8.280 nan 0.000 0.511 228 M N 0.253 119.953 119.600 0.167 0.000 2.117 228 M HA -0.107 4.376 4.480 0.005 0.000 0.262 228 M C 2.358 178.705 176.300 0.079 0.000 1.065 228 M CA 1.249 56.617 55.300 0.114 0.000 1.114 228 M CB -0.731 31.928 32.600 0.098 0.000 1.361 228 M HN 0.306 nan 8.290 nan 0.000 0.408 229 I N 0.119 120.724 120.570 0.058 0.000 2.151 229 I HA -0.323 3.850 4.170 0.005 0.000 0.243 229 I C 2.298 178.443 176.117 0.047 0.000 1.080 229 I CA 1.435 62.760 61.300 0.041 0.000 1.339 229 I CB -0.448 37.565 38.000 0.022 0.000 1.039 229 I HN 0.397 nan 8.210 nan 0.000 0.409 230 E N 0.523 120.758 120.200 0.058 0.000 2.077 230 E HA -0.276 4.077 4.350 0.005 0.000 0.193 230 E C 2.151 178.795 176.600 0.074 0.000 0.989 230 E CA 1.239 57.677 56.400 0.064 0.000 0.800 230 E CB -0.056 29.692 29.700 0.079 0.000 0.746 230 E HN 0.415 nan 8.360 nan 0.000 0.452 231 K N 0.825 121.277 120.400 0.087 0.000 2.098 231 K HA -0.071 4.252 4.320 0.005 0.000 0.203 231 K C 1.879 178.524 176.600 0.075 0.000 1.051 231 K CA 1.260 57.601 56.287 0.091 0.000 0.957 231 K CB 0.436 33.000 32.500 0.106 0.000 0.738 231 K HN 0.122 nan 8.250 nan 0.000 0.447 232 V N -3.890 116.064 119.914 0.066 0.000 3.528 232 V HA 0.497 4.620 4.120 0.005 0.000 0.294 232 V C 0.842 176.962 176.094 0.044 0.000 1.404 232 V CA 0.387 62.720 62.300 0.055 0.000 1.065 232 V CB 0.370 32.224 31.823 0.053 0.000 0.904 232 V HN 0.464 nan 8.190 nan 0.000 0.435 233 G N -0.037 108.789 108.800 0.043 0.000 2.349 233 G HA2 0.231 4.194 3.960 0.005 0.000 0.213 233 G HA3 0.231 4.194 3.960 0.005 0.000 0.213 233 G C 0.327 175.244 174.900 0.029 0.000 1.044 233 G CA -0.020 45.101 45.100 0.034 0.000 0.633 233 G HN 2.092 nan 8.290 nan 0.000 0.506 234 A N -0.131 122.707 122.820 0.030 0.000 2.590 234 A HA 0.701 5.024 4.320 0.005 0.000 0.294 234 A C -0.372 177.228 177.584 0.027 0.000 1.046 234 A CA -0.110 51.942 52.037 0.025 0.000 0.684 234 A CB 0.599 19.612 19.000 0.020 0.000 1.279 234 A HN 0.616 nan 8.150 nan 0.000 0.415 235 M N 1.164 120.778 119.600 0.024 0.000 2.228 235 M HA 0.328 4.812 4.480 0.005 0.000 0.326 235 M C 0.767 177.078 176.300 0.018 0.000 1.122 235 M CA 0.085 55.399 55.300 0.023 0.000 1.161 235 M CB 0.184 32.797 32.600 0.021 0.000 1.437 235 M HN 0.778 nan 8.290 nan 0.000 0.465 236 R N 1.012 121.521 120.500 0.016 0.000 2.643 236 R HA 0.255 4.598 4.340 0.005 0.000 0.270 236 R C -2.034 174.273 176.300 0.011 0.000 1.061 236 R CA -1.239 54.868 56.100 0.012 0.000 1.107 236 R CB -0.600 29.706 30.300 0.010 0.000 0.999 236 R HN 0.386 nan 8.270 nan 0.000 0.460 237 P HA -0.028 nan 4.420 nan 0.000 0.269 237 P C -0.657 176.647 177.300 0.007 0.000 1.215 237 P CA -0.267 62.838 63.100 0.008 0.000 0.780 237 P CB 0.478 32.182 31.700 0.007 0.000 0.898 238 E N 1.408 121.612 120.200 0.007 0.000 2.529 238 E HA 0.236 4.589 4.350 0.005 0.000 0.259 238 E C -0.301 176.302 176.600 0.005 0.000 0.966 238 E CA 0.052 56.456 56.400 0.006 0.000 0.937 238 E CB -0.040 29.664 29.700 0.006 0.000 0.923 238 E HN 0.483 nan 8.360 nan 0.000 0.468 239 A N 6.069 128.891 122.820 0.004 0.000 2.386 239 A HA 0.371 4.694 4.320 0.005 0.000 0.248 239 A C -1.961 175.625 177.584 0.003 0.000 1.082 239 A CA -1.130 50.909 52.037 0.003 0.000 0.789 239 A CB -0.307 18.694 19.000 0.001 0.000 1.025 239 A HN 0.670 nan 8.150 nan 0.000 0.490 240 P HA 0.221 nan 4.420 nan 0.000 0.268 240 P C -2.411 174.891 177.300 0.004 0.000 1.204 240 P CA -0.616 62.487 63.100 0.004 0.000 0.768 240 P CB -0.272 31.430 31.700 0.003 0.000 0.842 241 P HA 0.335 nan 4.420 nan 0.000 0.274 241 P C -0.479 176.825 177.300 0.006 0.000 1.237 241 P CA -0.208 62.895 63.100 0.006 0.000 0.793 241 P CB 0.983 32.688 31.700 0.007 0.000 0.977 242 I N 2.242 122.816 120.570 0.007 0.000 2.355 242 I HA 0.241 4.414 4.170 0.005 0.000 0.288 242 I C 0.079 176.202 176.117 0.012 0.000 0.999 242 I CA -0.599 60.706 61.300 0.008 0.000 1.163 242 I CB 0.876 38.880 38.000 0.007 0.000 1.316 242 I HN 0.148 nan 8.210 nan 0.000 0.454 243 N N 6.104 124.812 118.700 0.013 0.000 2.408 243 N HA 0.422 5.165 4.740 0.005 0.000 0.280 243 N C -0.806 174.717 175.510 0.021 0.000 1.002 243 N CA -0.398 52.662 53.050 0.016 0.000 0.907 243 N CB 2.640 41.136 38.487 0.015 0.000 1.161 243 N HN 0.172 nan 8.380 nan 0.000 0.488 244 V N 1.708 121.638 119.914 0.026 0.000 2.384 244 V HA 0.566 4.689 4.120 0.005 0.000 0.287 244 V C 0.241 176.356 176.094 0.035 0.000 1.020 244 V CA -0.553 61.767 62.300 0.034 0.000 0.850 244 V CB 1.260 33.110 31.823 0.045 0.000 0.987 244 V HN 0.824 nan 8.190 nan 0.000 0.436 245 T N 1.864 116.439 114.554 0.035 0.000 2.906 245 T HA 0.636 4.990 4.350 0.005 0.000 0.295 245 T C -0.806 173.916 174.700 0.036 0.000 1.061 245 T CA -0.846 61.273 62.100 0.032 0.000 1.000 245 T CB 2.238 71.120 68.868 0.024 0.000 1.103 245 T HN 0.517 nan 8.240 nan 0.000 0.486 246 Q N 1.703 121.523 119.800 0.033 0.000 2.907 246 Q HA 0.257 4.600 4.340 0.005 0.000 0.262 246 Q C -1.855 174.154 176.000 0.015 0.000 0.997 246 Q CA -1.947 53.874 55.803 0.029 0.000 0.797 246 Q CB 1.642 30.402 28.738 0.037 0.000 1.228 246 Q HN 0.581 nan 8.270 nan 0.000 0.466 247 P HA -0.141 nan 4.420 nan 0.000 0.225 247 P C 0.064 177.365 177.300 0.002 0.000 1.148 247 P CA 1.046 64.150 63.100 0.008 0.000 0.779 247 P CB 0.476 32.181 31.700 0.009 0.000 0.780 248 E N -0.156 120.044 120.200 0.001 0.000 2.499 248 E HA 0.366 4.719 4.350 0.005 0.000 0.199 248 E C 0.883 177.471 176.600 -0.019 0.000 1.016 248 E CA -0.059 56.337 56.400 -0.007 0.000 0.933 248 E CB 0.198 29.896 29.700 -0.003 0.000 1.050 248 E HN 0.190 nan 8.360 nan 0.000 0.462 249 G N 1.080 109.866 108.800 -0.023 0.000 2.681 249 G HA2 -0.256 3.707 3.960 0.005 0.000 0.220 249 G HA3 -0.256 3.707 3.960 0.005 0.000 0.220 249 G C -0.033 174.825 174.900 -0.070 0.000 1.353 249 G CA -0.448 44.620 45.100 -0.053 0.000 0.872 249 G HN 0.400 nan 8.290 nan 0.000 0.557 250 V N -2.463 117.352 119.914 -0.165 0.000 2.966 250 V HA 0.841 4.964 4.120 0.005 0.000 0.317 250 V C 1.513 177.500 176.094 -0.178 0.000 1.070 250 V CA 0.851 63.014 62.300 -0.227 0.000 1.008 250 V CB 1.450 32.877 31.823 -0.660 0.000 1.070 250 V HN 2.280 nan 8.190 nan 0.000 0.457 251 S N 1.682 117.382 115.700 0.001 0.000 2.528 251 S HA 0.162 4.635 4.470 0.005 0.000 0.219 251 S C 0.543 175.258 174.600 0.192 0.000 0.985 251 S CA 0.010 58.268 58.200 0.098 0.000 0.914 251 S CB -0.735 62.569 63.200 0.174 0.000 0.776 251 S HN 1.007 nan 8.310 nan 0.000 0.526 252 F N 1.163 121.270 119.950 0.261 0.000 2.370 252 F HA 0.743 5.273 4.527 0.005 0.000 0.324 252 F C -0.063 175.781 175.800 0.074 0.000 1.116 252 F CA -1.238 56.896 58.000 0.223 0.000 1.123 252 F CB 0.713 39.810 39.000 0.163 0.000 1.238 252 F HN -0.119 nan 8.300 nan 0.000 0.536 253 K N 3.758 124.306 120.400 0.248 0.000 2.471 253 K HA 0.468 4.791 4.320 0.005 0.000 0.252 253 K C -1.578 175.075 176.600 0.089 0.000 0.938 253 K CA -0.761 55.586 56.287 0.100 0.000 0.796 253 K CB 1.451 33.977 32.500 0.042 0.000 1.161 253 K HN 0.871 nan 8.250 nan 0.000 0.425 254 M N 2.898 122.535 119.600 0.063 0.000 2.294 254 M HA 0.261 4.744 4.480 0.005 0.000 0.335 254 M C -0.758 175.543 176.300 0.002 0.000 1.079 254 M CA -0.683 54.599 55.300 -0.030 0.000 0.982 254 M CB 2.062 34.575 32.600 -0.144 0.000 1.651 254 M HN 0.456 nan 8.290 nan 0.000 0.437 255 T N 2.550 117.093 114.554 -0.017 0.000 2.963 255 T HA 0.522 4.876 4.350 0.005 0.000 0.343 255 T C 0.791 175.508 174.700 0.027 0.000 1.146 255 T CA 0.245 62.360 62.100 0.025 0.000 1.016 255 T CB 1.050 69.942 68.868 0.040 0.000 1.046 255 T HN 1.062 nan 8.240 nan 0.000 0.496 256 G N 4.365 113.190 108.800 0.042 0.000 2.602 256 G HA2 -0.339 3.624 3.960 0.005 0.000 0.310 256 G HA3 -0.339 3.624 3.960 0.005 0.000 0.310 256 G C 0.787 175.663 174.900 -0.040 0.000 1.183 256 G CA 0.235 45.358 45.100 0.039 0.000 0.979 256 G HN 0.595 nan 8.290 nan 0.000 0.545 257 N N 0.576 119.212 118.700 -0.106 0.000 2.230 257 N HA 0.228 4.971 4.740 0.005 0.000 0.202 257 N C 0.274 175.537 175.510 -0.413 0.000 1.119 257 N CA 0.514 53.379 53.050 -0.307 0.000 0.851 257 N CB 1.076 39.272 38.487 -0.484 0.000 0.990 257 N HN 0.352 nan 8.380 nan 0.000 0.497 258 V N 2.372 122.148 119.914 -0.229 0.000 2.432 258 V HA 0.234 4.357 4.120 0.005 0.000 0.275 258 V C 0.244 176.166 176.094 -0.288 0.000 1.043 258 V CA -0.526 61.651 62.300 -0.204 0.000 0.925 258 V CB 1.268 33.092 31.823 0.002 0.000 0.985 258 V HN 0.104 nan 8.190 nan 0.000 0.466 259 M N 5.374 124.659 119.600 -0.524 0.000 2.300 259 M HA 0.528 5.011 4.480 0.005 0.000 0.348 259 M C -0.589 175.444 176.300 -0.444 0.000 1.151 259 M CA 0.183 55.110 55.300 -0.623 0.000 1.046 259 M CB 1.325 33.179 32.600 -1.243 0.000 1.647 259 M HN 0.648 nan 8.290 nan 0.000 0.451 260 E N 3.827 123.926 120.200 -0.168 0.000 2.241 260 E HA 0.480 4.833 4.350 0.005 0.000 0.263 260 E C -2.219 174.486 176.600 0.175 0.000 0.882 260 E CA -0.285 56.107 56.400 -0.015 0.000 0.769 260 E CB 1.710 31.409 29.700 -0.003 0.000 1.185 260 E HN 0.773 nan 8.360 nan 0.000 0.415 261 W N 2.571 123.872 121.300 0.002 0.000 3.615 261 W HA 0.196 4.859 4.660 0.005 0.000 0.319 261 W C -0.228 176.378 176.519 0.144 0.000 1.172 261 W CA -0.438 56.963 57.345 0.093 0.000 1.240 261 W CB 1.525 31.051 29.460 0.110 0.000 1.313 261 W HN 0.456 nan 8.180 nan 0.000 0.487 262 S N 5.023 120.338 115.700 -0.641 0.000 3.491 262 S HA -0.331 4.142 4.470 0.005 0.000 0.371 262 S C 0.834 175.154 174.600 -0.467 0.000 0.980 262 S CA 1.991 59.749 58.200 -0.737 0.000 1.204 262 S CB -1.379 60.959 63.200 -1.437 0.000 0.915 262 S HN 1.040 nan 8.310 nan 0.000 0.482 263 N N -2.424 116.021 118.700 -0.425 0.000 2.967 263 N HA -0.177 4.566 4.740 0.005 0.000 0.218 263 N C -0.131 175.025 175.510 -0.591 0.000 0.870 263 N CA 1.730 54.381 53.050 -0.666 0.000 1.030 263 N CB -1.577 36.142 38.487 -1.280 0.000 1.027 263 N HN 0.571 nan 8.380 nan 0.000 0.603 264 F N 1.712 121.585 119.950 -0.128 0.000 2.471 264 F HA 0.356 4.886 4.527 0.005 0.000 0.353 264 F C 1.019 176.870 175.800 0.087 0.000 1.113 264 F CA 0.377 58.457 58.000 0.134 0.000 1.262 264 F CB 0.731 39.959 39.000 0.380 0.000 1.146 264 F HN -0.145 nan 8.300 nan 0.000 0.578 265 K N 4.191 124.810 120.400 0.366 0.000 2.468 265 K HA 0.650 4.974 4.320 0.005 0.000 0.252 265 K C -1.700 175.086 176.600 0.310 0.000 0.932 265 K CA -0.524 55.865 56.287 0.170 0.000 0.794 265 K CB 1.554 34.116 32.500 0.104 0.000 1.241 265 K HN 0.508 nan 8.250 nan 0.000 0.428 266 F N -0.484 119.472 119.950 0.010 0.000 2.741 266 F HA 0.368 4.898 4.527 0.005 0.000 0.311 266 F C -1.540 174.246 175.800 -0.023 0.000 1.149 266 F CA -1.174 56.829 58.000 0.005 0.000 0.930 266 F CB 0.948 39.911 39.000 -0.063 0.000 1.312 266 F HN 0.435 nan 8.300 nan 0.000 0.450 267 H N 2.597 121.726 119.070 0.098 0.000 2.488 267 H HA 0.538 5.097 4.556 0.005 0.000 0.322 267 H C -1.105 174.216 175.328 -0.011 0.000 1.078 267 H CA -0.567 55.425 56.048 -0.094 0.000 1.260 267 H CB 1.429 31.059 29.762 -0.219 0.000 1.425 267 H HN 0.730 nan 8.280 nan 0.000 0.471 268 I N 5.669 125.941 120.570 -0.497 0.000 2.287 268 I HA 0.210 4.383 4.170 0.005 0.000 0.290 268 I C 1.027 176.938 176.117 -0.343 0.000 1.069 268 I CA -0.289 60.854 61.300 -0.263 0.000 1.237 268 I CB 0.903 38.789 38.000 -0.191 0.000 1.418 268 I HN 0.532 nan 8.210 nan 0.000 0.481 269 G N 5.204 113.976 108.800 -0.046 0.000 2.552 269 G HA2 0.707 4.670 3.960 0.005 0.000 0.318 269 G HA3 0.707 4.670 3.960 0.005 0.000 0.318 269 G C -1.508 173.505 174.900 0.189 0.000 1.240 269 G CA -0.347 44.829 45.100 0.128 0.000 1.002 269 G HN 0.394 nan 8.290 nan 0.000 0.493 270 F N 0.576 120.551 119.950 0.042 0.000 2.654 270 F HA 0.460 4.990 4.527 0.005 0.000 0.314 270 F C -1.016 174.857 175.800 0.122 0.000 1.116 270 F CA -0.891 57.145 58.000 0.060 0.000 1.017 270 F CB 2.115 41.147 39.000 0.054 0.000 1.285 270 F HN 0.814 nan 8.300 nan 0.000 0.448 271 N N 2.021 120.559 118.700 -0.269 0.000 2.774 271 N HA 0.230 4.973 4.740 0.005 0.000 0.264 271 N C 0.107 175.506 175.510 -0.185 0.000 1.415 271 N CA -0.516 52.544 53.050 0.017 0.000 0.815 271 N CB 0.329 38.870 38.487 0.090 0.000 1.514 271 N HN 0.531 nan 8.380 nan 0.000 0.523 272 Y N -1.271 118.890 120.300 -0.230 0.000 2.365 272 Y HA 0.041 4.595 4.550 0.005 0.000 0.287 272 Y C 2.002 177.429 175.900 -0.789 0.000 1.162 272 Y CA 1.411 58.991 58.100 -0.866 0.000 1.260 272 Y CB -0.280 37.396 38.460 -1.307 0.000 0.976 272 Y HN 0.665 nan 8.280 nan 0.000 0.548 273 R N 0.101 119.834 120.500 -1.277 0.000 2.125 273 R HA 0.138 4.481 4.340 0.005 0.000 0.195 273 R C 1.889 177.749 176.300 -0.734 0.000 1.138 273 R CA 0.775 56.117 56.100 -1.262 0.000 1.123 273 R CB 0.065 29.302 30.300 -1.772 0.000 1.049 273 R HN 0.325 nan 8.270 nan 0.000 0.503 274 E N -0.029 119.842 120.200 -0.548 0.000 2.371 274 E HA 0.142 4.495 4.350 0.005 0.000 0.194 274 E C 0.798 177.178 176.600 -0.367 0.000 1.012 274 E CA 0.455 56.658 56.400 -0.328 0.000 0.860 274 E CB 0.469 30.072 29.700 -0.161 0.000 0.811 274 E HN 0.560 nan 8.360 nan 0.000 0.502 275 G N 1.811 110.225 108.800 -0.642 0.000 2.536 275 G HA2 -0.345 3.618 3.960 0.005 0.000 0.280 275 G HA3 -0.345 3.618 3.960 0.005 0.000 0.280 275 G C 0.090 174.478 174.900 -0.854 0.000 1.152 275 G CA -0.160 44.352 45.100 -0.981 0.000 0.970 275 G HN 0.191 nan 8.290 nan 0.000 0.549 276 I N 1.169 121.622 120.570 -0.194 0.000 2.683 276 I HA 0.333 4.507 4.170 0.005 0.000 0.286 276 I C 0.329 176.329 176.117 -0.195 0.000 1.175 276 I CA 0.105 61.416 61.300 0.019 0.000 1.429 276 I CB 0.822 38.922 38.000 0.166 0.000 1.371 276 I HN 0.338 nan 8.210 nan 0.000 0.569 277 V N 7.942 127.741 119.914 -0.191 0.000 2.443 277 V HA 0.371 4.494 4.120 0.005 0.000 0.293 277 V C -0.092 175.857 176.094 -0.242 0.000 1.021 277 V CA -0.579 61.568 62.300 -0.254 0.000 0.848 277 V CB 1.621 33.353 31.823 -0.152 0.000 0.998 277 V HN 0.445 nan 8.190 nan 0.000 0.424 278 L N 4.015 125.006 121.223 -0.386 0.000 2.275 278 L HA 0.683 5.026 4.340 0.005 0.000 0.288 278 L C 0.180 176.950 176.870 -0.166 0.000 1.046 278 L CA 0.109 54.797 54.840 -0.252 0.000 0.805 278 L CB 1.662 43.466 42.059 -0.426 0.000 1.193 278 L HN 0.614 nan 8.230 nan 0.000 0.426 279 S N 0.749 116.434 115.700 -0.025 0.000 2.599 279 S HA 0.307 4.780 4.470 0.005 0.000 0.287 279 S C -0.503 174.116 174.600 0.032 0.000 1.105 279 S CA -0.526 57.604 58.200 -0.118 0.000 0.899 279 S CB 1.803 64.855 63.200 -0.247 0.000 1.100 279 S HN 0.766 nan 8.310 nan 0.000 0.482 280 D N 1.023 121.411 120.400 -0.020 0.000 2.697 280 D HA -0.146 4.497 4.640 0.005 0.000 0.238 280 D C -0.668 175.784 176.300 0.252 0.000 1.152 280 D CA 0.383 54.497 54.000 0.191 0.000 0.666 280 D CB -1.249 39.738 40.800 0.313 0.000 1.037 280 D HN 0.231 nan 8.370 nan 0.000 0.423 281 V N 1.114 121.163 119.914 0.225 0.000 2.432 281 V HA 0.579 4.702 4.120 0.005 0.000 0.271 281 V C 0.926 177.157 176.094 0.229 0.000 1.046 281 V CA 0.339 62.800 62.300 0.268 0.000 0.945 281 V CB 1.395 33.339 31.823 0.201 0.000 0.992 281 V HN 0.493 nan 8.190 nan 0.000 0.471 282 S N 4.453 120.336 115.700 0.305 0.000 2.661 282 S HA 0.775 5.248 4.470 0.005 0.000 0.285 282 S C -1.377 173.414 174.600 0.318 0.000 1.138 282 S CA -0.801 57.553 58.200 0.257 0.000 0.855 282 S CB 2.077 65.396 63.200 0.199 0.000 1.136 282 S HN 0.594 nan 8.310 nan 0.000 0.484 283 Y N 1.655 122.032 120.300 0.128 0.000 2.361 283 Y HA 0.542 5.095 4.550 0.005 0.000 0.337 283 Y C -0.629 175.312 175.900 0.067 0.000 0.965 283 Y CA -0.798 57.313 58.100 0.019 0.000 1.091 283 Y CB 1.624 40.084 38.460 0.001 0.000 1.182 283 Y HN 0.859 nan 8.280 nan 0.000 0.450 284 N N 4.752 123.223 118.700 -0.381 0.000 2.482 284 N HA 0.038 4.781 4.740 0.005 0.000 0.242 284 N C -1.223 174.220 175.510 -0.112 0.000 1.100 284 N CA 0.038 52.975 53.050 -0.188 0.000 0.946 284 N CB 0.206 38.553 38.487 -0.234 0.000 1.227 284 N HN 0.659 nan 8.380 nan 0.000 0.508 285 D N 2.989 123.516 120.400 0.213 0.000 2.522 285 D HA 0.065 4.708 4.640 0.005 0.000 0.218 285 D C -0.249 176.146 176.300 0.157 0.000 1.149 285 D CA 0.035 54.224 54.000 0.315 0.000 0.981 285 D CB -0.531 40.534 40.800 0.441 0.000 1.041 285 D HN 0.456 nan 8.370 nan 0.000 0.518 286 H N 2.141 121.272 119.070 0.101 0.000 2.626 286 H HA -0.208 4.351 4.556 0.005 0.000 0.317 286 H C 1.353 176.696 175.328 0.025 0.000 1.140 286 H CA 1.187 57.260 56.048 0.042 0.000 1.134 286 H CB -1.267 28.521 29.762 0.042 0.000 1.486 286 H HN 0.729 nan 8.280 nan 0.000 0.417 287 G N 0.194 109.032 108.800 0.064 0.000 2.234 287 G HA2 -0.305 3.658 3.960 0.005 0.000 0.235 287 G HA3 -0.305 3.658 3.960 0.005 0.000 0.235 287 G C 0.236 175.159 174.900 0.039 0.000 0.997 287 G CA 0.213 45.338 45.100 0.041 0.000 0.623 287 G HN 0.687 nan 8.290 nan 0.000 0.514 288 N N 0.745 119.483 118.700 0.063 0.000 2.500 288 N HA 0.420 5.164 4.740 0.005 0.000 0.236 288 N C -0.014 175.540 175.510 0.072 0.000 1.022 288 N CA -0.367 52.715 53.050 0.055 0.000 0.935 288 N CB 0.772 39.291 38.487 0.053 0.000 1.147 288 N HN 0.041 nan 8.380 nan 0.000 0.512 289 V N 4.643 124.589 119.914 0.053 0.000 2.415 289 V HA 0.178 4.301 4.120 0.005 0.000 0.267 289 V C 0.434 176.586 176.094 0.096 0.000 1.042 289 V CA -0.040 62.303 62.300 0.071 0.000 1.000 289 V CB 0.154 32.003 31.823 0.044 0.000 1.015 289 V HN 0.594 nan 8.190 nan 0.000 0.478 290 R N 5.923 126.522 120.500 0.164 0.000 2.310 290 R HA 0.421 4.764 4.340 0.005 0.000 0.324 290 R C -2.731 173.704 176.300 0.225 0.000 0.955 290 R CA -1.873 54.336 56.100 0.181 0.000 0.830 290 R CB 1.635 32.061 30.300 0.209 0.000 1.154 290 R HN 0.414 nan 8.270 nan 0.000 0.458 291 P HA 0.041 nan 4.420 nan 0.000 0.267 291 P C -0.062 177.300 177.300 0.102 0.000 1.200 291 P CA 0.279 63.461 63.100 0.136 0.000 0.772 291 P CB 0.800 32.567 31.700 0.111 0.000 0.855 292 I N -0.036 120.498 120.570 -0.060 0.000 3.623 292 I HA 0.204 4.377 4.170 0.005 0.000 0.253 292 I C -0.031 175.831 176.117 -0.425 0.000 1.144 292 I CA 0.495 61.522 61.300 -0.455 0.000 1.461 292 I CB 0.207 37.637 38.000 -0.950 0.000 1.575 292 I HN 0.110 nan 8.210 nan 0.000 0.445 293 F N -0.320 119.593 119.950 -0.063 0.000 2.556 293 F HA 0.331 4.861 4.527 0.005 0.000 0.314 293 F C 0.772 176.579 175.800 0.011 0.000 1.106 293 F CA -1.278 56.683 58.000 -0.064 0.000 0.911 293 F CB 0.987 39.901 39.000 -0.142 0.000 1.190 293 F HN -0.068 nan 8.300 nan 0.000 0.448 294 H N 1.501 120.649 119.070 0.131 0.000 2.403 294 H HA 0.267 4.826 4.556 0.005 0.000 0.298 294 H C 0.233 175.548 175.328 -0.021 0.000 1.059 294 H CA 1.422 57.491 56.048 0.035 0.000 1.363 294 H CB 0.466 30.206 29.762 -0.037 0.000 1.410 294 H HN 0.549 nan 8.280 nan 0.000 0.528 295 R N 0.006 120.422 120.500 -0.139 0.000 2.579 295 R HA 0.386 4.729 4.340 0.005 0.000 0.260 295 R C -2.134 173.998 176.300 -0.280 0.000 1.103 295 R CA -0.583 55.357 56.100 -0.265 0.000 0.942 295 R CB 1.233 31.362 30.300 -0.285 0.000 1.251 295 R HN 0.262 nan 8.270 nan 0.000 0.450 296 I N 2.659 123.022 120.570 -0.345 0.000 2.656 296 I HA 0.623 4.797 4.170 0.005 0.000 0.292 296 I C -1.530 174.310 176.117 -0.462 0.000 1.144 296 I CA -0.141 60.907 61.300 -0.421 0.000 1.038 296 I CB 2.158 39.850 38.000 -0.514 0.000 1.244 296 I HN 0.916 nan 8.210 nan 0.000 0.420 297 S N 6.189 121.734 115.700 -0.258 0.000 2.636 297 S HA 0.527 5.000 4.470 0.005 0.000 0.266 297 S C -1.591 173.117 174.600 0.180 0.000 1.147 297 S CA -1.051 57.079 58.200 -0.118 0.000 0.815 297 S CB 1.111 64.218 63.200 -0.155 0.000 1.119 297 S HN 0.596 nan 8.310 nan 0.000 0.470 298 L N 2.560 123.958 121.223 0.291 0.000 2.305 298 L HA 0.513 4.856 4.340 0.005 0.000 0.281 298 L C 1.278 178.199 176.870 0.085 0.000 1.085 298 L CA -0.070 54.899 54.840 0.214 0.000 0.813 298 L CB 1.680 43.892 42.059 0.255 0.000 1.157 298 L HN 1.044 nan 8.230 nan 0.000 0.436 299 S N 0.463 116.196 115.700 0.056 0.000 2.520 299 S HA 0.245 4.718 4.470 0.005 0.000 0.219 299 S C 0.252 174.847 174.600 -0.008 0.000 1.028 299 S CA -0.237 58.022 58.200 0.098 0.000 0.921 299 S CB 0.595 63.913 63.200 0.197 0.000 0.844 299 S HN 0.652 nan 8.310 nan 0.000 0.495 300 E N -0.561 119.520 120.200 -0.198 0.000 2.417 300 E HA 0.651 5.004 4.350 0.005 0.000 0.280 300 E C -1.819 174.599 176.600 -0.303 0.000 1.112 300 E CA -0.392 55.832 56.400 -0.294 0.000 0.863 300 E CB 1.227 30.641 29.700 -0.476 0.000 1.346 300 E HN 0.334 nan 8.360 nan 0.000 0.443 301 M N 1.397 120.931 119.600 -0.110 0.000 2.618 301 M HA 0.646 5.129 4.480 0.005 0.000 0.281 301 M C -1.238 175.196 176.300 0.225 0.000 1.267 301 M CA -0.913 54.358 55.300 -0.048 0.000 0.845 301 M CB 2.537 34.976 32.600 -0.267 0.000 1.732 301 M HN 0.580 nan 8.290 nan 0.000 0.461 302 I N 0.759 121.423 120.570 0.156 0.000 2.692 302 I HA 0.485 4.658 4.170 0.005 0.000 0.293 302 I C -1.595 174.507 176.117 -0.024 0.000 1.200 302 I CA -0.635 60.716 61.300 0.084 0.000 1.036 302 I CB 2.043 40.070 38.000 0.045 0.000 1.258 302 I HN 0.413 nan 8.210 nan 0.000 0.421 303 V N 8.485 128.416 119.914 0.029 0.000 2.271 303 V HA 0.340 4.463 4.120 0.005 0.000 0.259 303 V C -2.327 173.811 176.094 0.074 0.000 1.030 303 V CA -1.229 61.057 62.300 -0.023 0.000 0.957 303 V CB 0.596 32.426 31.823 0.012 0.000 1.186 303 V HN 0.520 nan 8.190 nan 0.000 0.471 304 P HA 0.259 nan 4.420 nan 0.000 0.282 304 P C -0.873 176.434 177.300 0.013 0.000 1.262 304 P CA -0.147 63.010 63.100 0.095 0.000 0.773 304 P CB 0.784 32.470 31.700 -0.023 0.000 0.879 305 Y N 1.255 121.608 120.300 0.088 0.000 2.301 305 Y HA 0.417 4.970 4.550 0.005 0.000 0.328 305 Y C 1.980 177.868 175.900 -0.020 0.000 1.242 305 Y CA 0.615 58.757 58.100 0.070 0.000 1.323 305 Y CB 0.691 39.197 38.460 0.075 0.000 1.266 305 Y HN 0.491 nan 8.280 nan 0.000 0.527 306 G N 0.162 109.012 108.800 0.083 0.000 3.575 306 G HA2 0.046 4.009 3.960 0.005 0.000 0.273 306 G HA3 0.046 4.009 3.960 0.005 0.000 0.273 306 G C -0.164 174.656 174.900 -0.133 0.000 1.053 306 G CA -0.167 44.926 45.100 -0.012 0.000 0.803 306 G HN 0.464 nan 8.290 nan 0.000 0.528 307 S N 1.458 117.022 115.700 -0.227 0.000 2.489 307 S HA 0.449 4.922 4.470 0.005 0.000 0.277 307 S C -0.919 173.399 174.600 -0.470 0.000 1.230 307 S CA -1.344 56.566 58.200 -0.482 0.000 1.053 307 S CB 1.776 64.545 63.200 -0.719 0.000 0.955 307 S HN 0.082 nan 8.310 nan 0.000 0.488 308 P HA 0.098 nan 4.420 nan 0.000 0.245 308 P C -0.293 176.878 177.300 -0.216 0.000 1.206 308 P CA 0.172 63.016 63.100 -0.425 0.000 0.781 308 P CB 0.095 31.477 31.700 -0.529 0.000 0.994 309 E N 0.129 120.236 120.200 -0.155 0.000 2.360 309 E HA 0.132 4.485 4.350 0.005 0.000 0.269 309 E C -0.416 176.115 176.600 -0.116 0.000 1.022 309 E CA -0.705 55.678 56.400 -0.028 0.000 0.887 309 E CB 0.420 30.176 29.700 0.094 0.000 0.990 309 E HN 0.060 nan 8.360 nan 0.000 0.426 310 F N 4.814 124.633 119.950 -0.219 0.000 2.529 310 F HA 0.098 4.629 4.527 0.005 0.000 0.365 310 F C -1.369 174.130 175.800 -0.502 0.000 1.102 310 F CA -1.608 56.227 58.000 -0.276 0.000 1.271 310 F CB 0.871 39.778 39.000 -0.155 0.000 1.120 310 F HN 0.327 nan 8.300 nan 0.000 0.579 311 P HA 0.074 nan 4.420 nan 0.000 0.259 311 P C 0.281 177.106 177.300 -0.793 0.000 1.530 311 P CA 0.279 62.586 63.100 -1.322 0.000 1.022 311 P CB -0.121 30.966 31.700 -1.021 0.000 1.514 312 H N 0.877 119.687 119.070 -0.433 0.000 2.545 312 H HA -0.077 4.482 4.556 0.005 0.000 0.282 312 H C 2.072 177.261 175.328 -0.232 0.000 1.020 312 H CA 0.959 56.798 56.048 -0.349 0.000 1.243 312 H CB -0.272 29.276 29.762 -0.358 0.000 1.377 312 H HN 0.402 nan 8.280 nan 0.000 0.581 313 Q N 1.785 121.498 119.800 -0.147 0.000 2.364 313 Q HA -0.146 4.197 4.340 0.005 0.000 0.209 313 Q C 1.361 177.424 176.000 0.106 0.000 0.977 313 Q CA 0.997 56.775 55.803 -0.042 0.000 0.885 313 Q CB -0.301 28.393 28.738 -0.074 0.000 0.941 313 Q HN 0.404 nan 8.270 nan 0.000 0.464 314 R N 0.727 121.210 120.500 -0.027 0.000 2.310 314 R HA 0.169 4.512 4.340 0.005 0.000 0.202 314 R C 0.121 176.396 176.300 -0.042 0.000 0.933 314 R CA 0.076 56.171 56.100 -0.007 0.000 1.054 314 R CB 0.323 30.544 30.300 -0.133 0.000 0.985 314 R HN 0.148 nan 8.270 nan 0.000 0.489 315 K N 2.098 122.515 120.400 0.029 0.000 2.244 315 K HA 0.083 4.406 4.320 0.005 0.000 0.263 315 K C -0.345 176.504 176.600 0.416 0.000 1.103 315 K CA -0.053 56.295 56.287 0.101 0.000 0.966 315 K CB 0.440 32.761 32.500 -0.299 0.000 1.429 315 K HN 0.305 nan 8.250 nan 0.000 0.434 316 H N 0.230 119.519 119.070 0.365 0.000 3.225 316 H HA 0.178 4.737 4.556 0.005 0.000 0.205 316 H C -0.777 174.677 175.328 0.209 0.000 1.314 316 H CA -0.701 55.501 56.048 0.256 0.000 1.336 316 H CB -0.610 29.221 29.762 0.115 0.000 2.276 316 H HN 0.381 nan 8.280 nan 0.000 0.535 317 A N 2.008 124.950 122.820 0.203 0.000 2.546 317 A HA 0.284 4.607 4.320 0.005 0.000 0.243 317 A C 0.180 177.799 177.584 0.058 0.000 1.063 317 A CA -0.146 51.928 52.037 0.062 0.000 0.757 317 A CB 0.055 19.039 19.000 -0.026 0.000 0.991 317 A HN 0.470 nan 8.150 nan 0.000 0.503 318 L N 3.643 124.870 121.223 0.006 0.000 2.353 318 L HA 0.222 4.565 4.340 0.005 0.000 0.269 318 L C 0.712 177.537 176.870 -0.076 0.000 1.085 318 L CA -0.018 54.834 54.840 0.021 0.000 0.938 318 L CB 0.712 42.819 42.059 0.079 0.000 1.312 318 L HN 0.722 nan 8.230 nan 0.000 0.429 319 D N 1.503 121.883 120.400 -0.034 0.000 2.123 319 D HA -0.176 4.467 4.640 0.005 0.000 0.196 319 D C 2.035 178.268 176.300 -0.111 0.000 0.992 319 D CA 1.597 55.621 54.000 0.040 0.000 0.833 319 D CB 0.353 41.224 40.800 0.118 0.000 0.954 319 D HN 0.493 nan 8.370 nan 0.000 0.455 320 I N 0.791 121.241 120.570 -0.200 0.000 2.163 320 I HA -0.155 4.019 4.170 0.005 0.000 0.240 320 I C 2.540 178.446 176.117 -0.352 0.000 1.081 320 I CA 1.390 62.499 61.300 -0.319 0.000 1.353 320 I CB -0.339 37.491 38.000 -0.284 0.000 1.054 320 I HN 0.005 nan 8.210 nan 0.000 0.407 321 G N -0.243 108.388 108.800 -0.282 0.000 2.464 321 G HA2 -0.123 3.840 3.960 0.005 0.000 0.217 321 G HA3 -0.123 3.840 3.960 0.005 0.000 0.217 321 G C 1.459 176.217 174.900 -0.237 0.000 1.138 321 G CA 0.289 45.218 45.100 -0.284 0.000 0.793 321 G HN 0.410 nan 8.290 nan 0.000 0.539 322 E N -1.428 118.587 120.200 -0.308 0.000 2.389 322 E HA 0.138 4.491 4.350 0.005 0.000 0.199 322 E C 0.960 177.179 176.600 -0.635 0.000 0.978 322 E CA 0.275 56.387 56.400 -0.480 0.000 0.912 322 E CB 0.346 29.656 29.700 -0.650 0.000 0.907 322 E HN 0.597 nan 8.360 nan 0.000 0.494 323 Y N -0.472 119.791 120.300 -0.063 0.000 2.640 323 Y HA 0.348 4.901 4.550 0.005 0.000 0.274 323 Y C 0.795 176.677 175.900 -0.029 0.000 1.164 323 Y CA 0.156 58.243 58.100 -0.021 0.000 1.189 323 Y CB 1.046 39.480 38.460 -0.043 0.000 1.333 323 Y HN -0.040 nan 8.280 nan 0.000 0.494 324 G N 0.839 109.580 108.800 -0.098 0.000 3.322 324 G HA2 0.143 4.106 3.960 0.005 0.000 0.686 324 G HA3 0.143 4.106 3.960 0.005 0.000 0.686 324 G C 0.564 175.182 174.900 -0.471 0.000 1.015 324 G CA -0.314 44.574 45.100 -0.354 0.000 0.826 324 G HN 0.652 nan 8.290 nan 0.000 0.538 325 A N 1.235 123.624 122.820 -0.718 0.000 2.121 325 A HA 0.373 4.696 4.320 0.005 0.000 0.218 325 A C 2.501 179.855 177.584 -0.384 0.000 1.154 325 A CA 2.367 53.826 52.037 -0.964 0.000 0.679 325 A CB -0.286 18.193 19.000 -0.869 0.000 0.795 325 A HN 2.136 nan 8.150 nan 0.000 0.458 326 G N -1.549 107.040 108.800 -0.352 0.000 2.439 326 G HA2 -0.033 3.930 3.960 0.005 0.000 0.212 326 G HA3 -0.033 3.930 3.960 0.005 0.000 0.212 326 G C 1.368 176.371 174.900 0.171 0.000 1.199 326 G CA 0.722 45.835 45.100 0.022 0.000 0.807 326 G HN 0.376 nan 8.290 nan 0.000 0.537 327 Y N 0.707 120.809 120.300 -0.330 0.000 2.181 327 Y HA -0.054 4.499 4.550 0.005 0.000 0.284 327 Y C 2.781 178.702 175.900 0.036 0.000 1.179 327 Y CA 0.691 58.624 58.100 -0.278 0.000 1.179 327 Y CB -0.189 38.137 38.460 -0.223 0.000 0.973 327 Y HN 0.106 nan 8.280 nan 0.000 0.519 328 M N -0.914 118.806 119.600 0.200 0.000 2.495 328 M HA 0.058 4.541 4.480 0.005 0.000 0.237 328 M C 0.743 177.240 176.300 0.329 0.000 1.131 328 M CA 0.232 55.670 55.300 0.230 0.000 1.032 328 M CB -1.202 31.524 32.600 0.210 0.000 1.513 328 M HN -0.074 nan 8.290 nan 0.000 0.488 329 T N 2.277 117.051 114.554 0.366 0.000 2.919 329 T HA 0.154 4.507 4.350 0.005 0.000 0.302 329 T C 0.303 175.177 174.700 0.289 0.000 1.031 329 T CA -0.033 62.310 62.100 0.404 0.000 1.127 329 T CB 0.408 69.582 68.868 0.510 0.000 0.952 329 T HN 0.388 nan 8.240 nan 0.000 0.540 330 N N 4.735 123.572 118.700 0.229 0.000 2.529 330 N HA 0.292 5.035 4.740 0.005 0.000 0.278 330 N C -2.665 172.906 175.510 0.101 0.000 1.146 330 N CA -1.567 51.571 53.050 0.146 0.000 0.980 330 N CB 0.943 39.496 38.487 0.110 0.000 1.124 330 N HN 0.401 nan 8.380 nan 0.000 0.458 331 P HA 0.037 nan 4.420 nan 0.000 0.271 331 P C -0.069 177.229 177.300 -0.002 0.000 1.226 331 P CA -0.285 62.818 63.100 0.005 0.000 0.765 331 P CB 0.610 32.303 31.700 -0.012 0.000 0.835 332 L N 2.358 123.569 121.223 -0.020 0.000 2.660 332 L HA 0.038 4.382 4.340 0.005 0.000 0.238 332 L C 0.349 177.213 176.870 -0.010 0.000 1.161 332 L CA 0.435 55.292 54.840 0.028 0.000 0.937 332 L CB -2.048 40.104 42.059 0.155 0.000 1.122 332 L HN 0.609 nan 8.230 nan 0.000 0.435 333 S N -0.289 115.365 115.700 -0.076 0.000 4.237 333 S HA -0.232 4.242 4.470 0.005 0.000 0.446 333 S C 0.035 174.616 174.600 -0.032 0.000 0.818 333 S CA -0.402 57.763 58.200 -0.060 0.000 1.265 333 S CB -1.197 61.995 63.200 -0.012 0.000 2.027 333 S HN 0.115 nan 8.310 nan 0.000 0.438 334 L N 4.556 125.736 121.223 -0.072 0.000 2.525 334 L HA 0.496 4.839 4.340 0.005 0.000 0.278 334 L C 2.042 178.943 176.870 0.052 0.000 1.218 334 L CA 1.843 56.689 54.840 0.010 0.000 0.878 334 L CB -0.560 41.482 42.059 -0.028 0.000 1.127 334 L HN 1.655 nan 8.230 nan 0.000 0.492 335 G N 1.016 109.871 108.800 0.092 0.000 2.184 335 G HA2 -0.349 3.614 3.960 0.005 0.000 0.264 335 G HA3 -0.349 3.614 3.960 0.005 0.000 0.264 335 G C 0.953 175.875 174.900 0.037 0.000 0.975 335 G CA 0.511 45.643 45.100 0.054 0.000 0.642 335 G HN 0.824 nan 8.290 nan 0.000 0.536 336 C N -0.824 118.502 119.300 0.043 0.000 2.617 336 C HA 0.424 4.887 4.460 0.005 0.000 0.297 336 C C 2.349 177.360 174.990 0.035 0.000 1.689 336 C CA 1.914 60.950 59.018 0.031 0.000 2.073 336 C CB -0.455 27.301 27.740 0.026 0.000 1.751 336 C HN 0.435 nan 8.230 nan 0.000 0.731 337 D N 0.359 120.790 120.400 0.051 0.000 2.117 337 D HA -0.041 4.602 4.640 0.005 0.000 0.197 337 D C 0.544 176.881 176.300 0.062 0.000 0.987 337 D CA 1.266 55.303 54.000 0.063 0.000 0.829 337 D CB -0.043 40.805 40.800 0.080 0.000 0.961 337 D HN 0.468 nan 8.370 nan 0.000 0.460 338 C N 1.256 120.574 119.300 0.031 0.000 2.316 338 C HA 0.431 4.894 4.460 0.005 0.000 0.324 338 C C -0.023 174.882 174.990 -0.141 0.000 1.226 338 C CA -1.615 57.337 59.018 -0.110 0.000 1.450 338 C CB 0.367 27.977 27.740 -0.217 0.000 2.123 338 C HN 0.120 nan 8.230 nan 0.000 0.454 339 K N 2.566 122.891 120.400 -0.124 0.000 2.205 339 K HA 0.641 4.964 4.320 0.005 0.000 0.279 339 K C 0.679 177.244 176.600 -0.058 0.000 1.027 339 K CA 0.913 57.168 56.287 -0.052 0.000 0.932 339 K CB 0.631 33.130 32.500 -0.001 0.000 1.032 339 K HN 1.142 nan 8.250 nan 0.000 0.466 340 G N 1.009 109.802 108.800 -0.013 0.000 2.384 340 G HA2 -0.166 3.797 3.960 0.005 0.000 0.204 340 G HA3 -0.166 3.797 3.960 0.005 0.000 0.204 340 G C -1.342 173.573 174.900 0.025 0.000 1.237 340 G CA -0.537 44.580 45.100 0.029 0.000 1.060 340 G HN 0.499 nan 8.290 nan 0.000 0.514 341 V N 1.892 121.844 119.914 0.065 0.000 2.368 341 V HA 0.497 4.620 4.120 0.005 0.000 0.266 341 V C 0.321 176.469 176.094 0.090 0.000 1.045 341 V CA -0.404 61.936 62.300 0.067 0.000 0.899 341 V CB 0.779 32.642 31.823 0.067 0.000 1.006 341 V HN 0.571 nan 8.190 nan 0.000 0.470 342 I N 4.111 124.685 120.570 0.006 0.000 2.441 342 I HA 0.411 4.584 4.170 0.005 0.000 0.295 342 I C -0.180 175.883 176.117 -0.091 0.000 0.994 342 I CA -0.609 60.609 61.300 -0.136 0.000 1.144 342 I CB 1.504 39.189 38.000 -0.524 0.000 1.314 342 I HN 0.655 nan 8.210 nan 0.000 0.445 343 H N 5.479 124.494 119.070 -0.093 0.000 2.488 343 H HA 0.486 5.045 4.556 0.005 0.000 0.322 343 H C -1.471 173.734 175.328 -0.205 0.000 1.078 343 H CA -0.200 55.832 56.048 -0.027 0.000 1.260 343 H CB 0.887 30.758 29.762 0.181 0.000 1.425 343 H HN 0.388 nan 8.280 nan 0.000 0.471 344 Y N 4.094 124.465 120.300 0.118 0.000 2.457 344 Y HA 0.384 4.938 4.550 0.005 0.000 0.333 344 Y C -0.462 175.497 175.900 0.100 0.000 1.119 344 Y CA -0.838 57.311 58.100 0.082 0.000 1.143 344 Y CB 1.422 39.874 38.460 -0.014 0.000 1.230 344 Y HN 0.436 nan 8.280 nan 0.000 0.469 345 L N 2.474 123.811 121.223 0.190 0.000 2.362 345 L HA 0.497 4.840 4.340 0.005 0.000 0.271 345 L C -0.974 175.834 176.870 -0.104 0.000 1.002 345 L CA -1.103 53.760 54.840 0.037 0.000 0.818 345 L CB 1.744 43.785 42.059 -0.031 0.000 1.298 345 L HN 0.534 nan 8.230 nan 0.000 0.420 346 D N 1.144 121.439 120.400 -0.174 0.000 2.294 346 D HA 0.613 5.256 4.640 0.005 0.000 0.250 346 D C -0.307 175.631 176.300 -0.603 0.000 1.058 346 D CA -0.146 53.643 54.000 -0.351 0.000 0.950 346 D CB 2.032 42.643 40.800 -0.315 0.000 1.158 346 D HN 0.576 nan 8.370 nan 0.000 0.453 347 A N 1.250 123.620 122.820 -0.750 0.000 2.340 347 A HA 0.590 4.913 4.320 0.005 0.000 0.331 347 A C -0.916 176.009 177.584 -1.099 0.000 1.140 347 A CA -0.647 50.886 52.037 -0.840 0.000 0.801 347 A CB 0.959 19.525 19.000 -0.724 0.000 1.234 347 A HN 0.561 nan 8.150 nan 0.000 0.469 348 H N 1.139 119.874 119.070 -0.559 0.000 2.589 348 H HA 0.644 5.203 4.556 0.005 0.000 0.351 348 H C -1.411 173.685 175.328 -0.387 0.000 1.074 348 H CA -0.192 55.595 56.048 -0.436 0.000 1.203 348 H CB 1.312 30.988 29.762 -0.145 0.000 1.558 348 H HN 0.542 nan 8.280 nan 0.000 0.522 349 F N -0.219 119.899 119.950 0.279 0.000 2.764 349 F HA 0.448 4.978 4.527 0.005 0.000 0.347 349 F C 0.693 176.602 175.800 0.181 0.000 1.151 349 F CA -1.107 57.056 58.000 0.272 0.000 1.021 349 F CB 0.931 40.189 39.000 0.431 0.000 1.438 349 F HN 0.302 nan 8.300 nan 0.000 0.516 350 S N -0.092 115.840 115.700 0.387 0.000 2.509 350 S HA 0.526 4.999 4.470 0.005 0.000 0.297 350 S C -1.059 173.645 174.600 0.174 0.000 1.118 350 S CA -0.775 57.533 58.200 0.180 0.000 1.074 350 S CB 0.506 63.742 63.200 0.061 0.000 1.038 350 S HN 0.600 nan 8.310 nan 0.000 0.498 351 D N 2.780 123.241 120.400 0.103 0.000 2.478 351 D HA 0.278 4.921 4.640 0.005 0.000 0.269 351 D C 1.125 177.486 176.300 0.101 0.000 1.232 351 D CA -0.484 53.561 54.000 0.076 0.000 1.059 351 D CB 0.305 41.140 40.800 0.059 0.000 1.104 351 D HN 0.534 nan 8.370 nan 0.000 0.566 352 R N -0.728 119.827 120.500 0.091 0.000 2.152 352 R HA -0.053 4.290 4.340 0.005 0.000 0.232 352 R C 1.779 178.207 176.300 0.212 0.000 1.117 352 R CA 1.360 57.542 56.100 0.137 0.000 0.981 352 R CB -0.433 29.908 30.300 0.068 0.000 0.870 352 R HN 0.583 nan 8.270 nan 0.000 0.451 353 A N -0.214 122.689 122.820 0.138 0.000 2.208 353 A HA 0.181 4.504 4.320 0.005 0.000 0.209 353 A C 1.404 179.039 177.584 0.086 0.000 1.161 353 A CA 0.848 52.963 52.037 0.130 0.000 0.782 353 A CB 0.014 19.052 19.000 0.064 0.000 0.816 353 A HN 0.444 nan 8.150 nan 0.000 0.477 354 G N -0.498 108.280 108.800 -0.037 0.000 2.141 354 G HA2 -0.176 3.787 3.960 0.005 0.000 0.242 354 G HA3 -0.176 3.787 3.960 0.005 0.000 0.242 354 G C -0.532 174.210 174.900 -0.263 0.000 0.982 354 G CA 0.140 44.953 45.100 -0.479 0.000 0.662 354 G HN 0.468 nan 8.290 nan 0.000 0.527 355 D N 1.273 121.612 120.400 -0.102 0.000 2.210 355 D HA 0.488 5.131 4.640 0.005 0.000 0.249 355 D C -2.282 174.008 176.300 -0.017 0.000 1.078 355 D CA -1.413 52.555 54.000 -0.055 0.000 0.875 355 D CB 1.440 42.230 40.800 -0.017 0.000 1.175 355 D HN 0.062 nan 8.370 nan 0.000 0.440 356 P HA 0.141 nan 4.420 nan 0.000 0.268 356 P C -0.329 177.009 177.300 0.063 0.000 1.204 356 P CA -0.057 63.061 63.100 0.029 0.000 0.768 356 P CB 0.414 32.108 31.700 -0.011 0.000 0.842 357 I N -1.159 119.482 120.570 0.119 0.000 2.646 357 I HA 0.666 4.839 4.170 0.005 0.000 0.299 357 I C -0.688 175.489 176.117 0.100 0.000 1.036 357 I CA -0.687 60.686 61.300 0.122 0.000 1.074 357 I CB 2.467 40.564 38.000 0.162 0.000 1.258 357 I HN 0.040 nan 8.210 nan 0.000 0.430 358 T N 4.276 118.870 114.554 0.068 0.000 2.824 358 T HA 0.423 4.777 4.350 0.005 0.000 0.282 358 T C -0.613 174.048 174.700 -0.064 0.000 0.993 358 T CA -0.540 61.556 62.100 -0.007 0.000 0.967 358 T CB 1.916 70.834 68.868 0.083 0.000 0.960 358 T HN 0.616 nan 8.240 nan 0.000 0.441 359 V N 4.134 123.937 119.914 -0.184 0.000 2.347 359 V HA 0.549 4.672 4.120 0.005 0.000 0.280 359 V C -0.278 175.711 176.094 -0.174 0.000 1.021 359 V CA -0.788 61.451 62.300 -0.100 0.000 0.847 359 V CB 0.727 32.574 31.823 0.041 0.000 0.990 359 V HN 0.590 nan 8.190 nan 0.000 0.444 360 K N 4.736 125.065 120.400 -0.117 0.000 2.350 360 K HA 0.257 4.581 4.320 0.005 0.000 0.279 360 K C 0.550 177.056 176.600 -0.156 0.000 1.027 360 K CA 0.587 56.791 56.287 -0.138 0.000 0.969 360 K CB 0.175 32.610 32.500 -0.110 0.000 0.954 360 K HN 0.999 nan 8.250 nan 0.000 0.474 361 N N 0.626 119.221 118.700 -0.174 0.000 2.738 361 N HA -0.260 4.483 4.740 0.005 0.000 0.249 361 N C 0.366 175.849 175.510 -0.046 0.000 1.047 361 N CA 0.477 53.427 53.050 -0.167 0.000 0.707 361 N CB -0.841 37.334 38.487 -0.519 0.000 0.937 361 N HN 0.723 nan 8.380 nan 0.000 0.545 362 A N -0.773 121.979 122.820 -0.113 0.000 1.970 362 A HA 0.219 4.542 4.320 0.005 0.000 0.216 362 A C 0.825 178.362 177.584 -0.077 0.000 1.170 362 A CA 1.025 52.974 52.037 -0.146 0.000 0.645 362 A CB 0.682 19.430 19.000 -0.420 0.000 0.816 362 A HN 0.176 nan 8.150 nan 0.000 0.447 363 V N -0.647 119.238 119.914 -0.049 0.000 2.588 363 V HA 0.385 4.508 4.120 0.005 0.000 0.304 363 V C -0.506 175.662 176.094 0.123 0.000 1.042 363 V CA -0.994 61.328 62.300 0.037 0.000 0.877 363 V CB 1.131 32.938 31.823 -0.026 0.000 0.996 363 V HN 0.387 nan 8.190 nan 0.000 0.425 364 C N 6.912 126.265 119.300 0.090 0.000 2.382 364 C HA 0.822 5.285 4.460 0.005 0.000 0.327 364 C C -0.452 174.535 174.990 -0.005 0.000 1.250 364 C CA -0.384 58.596 59.018 -0.062 0.000 1.707 364 C CB -0.453 27.246 27.740 -0.069 0.000 2.272 364 C HN 0.819 nan 8.230 nan 0.000 0.506 365 I N 6.187 126.708 120.570 -0.081 0.000 2.447 365 I HA 0.571 4.744 4.170 0.005 0.000 0.287 365 I C -0.336 175.743 176.117 -0.063 0.000 1.023 365 I CA -0.103 61.117 61.300 -0.135 0.000 1.083 365 I CB 1.432 39.244 38.000 -0.313 0.000 1.245 365 I HN 0.991 nan 8.210 nan 0.000 0.434 366 H N 3.059 121.944 119.070 -0.307 0.000 3.003 366 H HA 0.578 5.138 4.556 0.005 0.000 0.327 366 H C -1.800 173.442 175.328 -0.143 0.000 1.353 366 H CA -1.190 54.793 56.048 -0.108 0.000 1.142 366 H CB 1.321 31.078 29.762 -0.008 0.000 1.864 366 H HN 0.523 nan 8.280 nan 0.000 0.529 367 E N 1.128 121.349 120.200 0.035 0.000 2.207 367 E HA 0.530 4.883 4.350 0.005 0.000 0.270 367 E C -1.007 175.598 176.600 0.008 0.000 0.927 367 E CA -1.026 55.333 56.400 -0.068 0.000 0.799 367 E CB 2.661 32.460 29.700 0.164 0.000 1.172 367 E HN 0.683 nan 8.360 nan 0.000 0.404 368 E N 1.563 121.738 120.200 -0.041 0.000 2.317 368 E HA 0.188 4.541 4.350 0.005 0.000 0.270 368 E C -1.246 175.381 176.600 0.044 0.000 0.885 368 E CA -1.061 55.346 56.400 0.011 0.000 0.760 368 E CB 1.672 31.342 29.700 -0.051 0.000 1.227 368 E HN 0.471 nan 8.360 nan 0.000 0.434 369 D N 1.495 121.925 120.400 0.051 0.000 2.525 369 D HA -0.022 4.621 4.640 0.005 0.000 0.235 369 D C -0.226 176.089 176.300 0.025 0.000 1.137 369 D CA 0.946 54.972 54.000 0.044 0.000 0.868 369 D CB 0.550 41.369 40.800 0.031 0.000 1.180 369 D HN 0.348 nan 8.370 nan 0.000 0.465 370 D N 0.601 121.019 120.400 0.030 0.000 2.819 370 D HA 0.308 4.951 4.640 0.005 0.000 0.326 370 D C 0.819 177.123 176.300 0.006 0.000 1.408 370 D CA 0.065 54.074 54.000 0.014 0.000 0.811 370 D CB -0.076 40.742 40.800 0.030 0.000 1.148 370 D HN 0.565 nan 8.370 nan 0.000 0.457 371 G N 0.388 109.188 108.800 -0.001 0.000 2.528 371 G HA2 -0.268 3.695 3.960 0.005 0.000 0.262 371 G HA3 -0.268 3.695 3.960 0.005 0.000 0.262 371 G C -0.316 174.570 174.900 -0.023 0.000 1.200 371 G CA -0.074 45.020 45.100 -0.010 0.000 0.951 371 G HN 0.310 nan 8.290 nan 0.000 0.566 372 L N 0.552 121.758 121.223 -0.029 0.000 2.350 372 L HA 0.457 4.800 4.340 0.005 0.000 0.275 372 L C 1.619 178.445 176.870 -0.074 0.000 1.099 372 L CA -0.760 54.046 54.840 -0.057 0.000 0.808 372 L CB 1.319 43.358 42.059 -0.033 0.000 1.149 372 L HN 0.560 nan 8.230 nan 0.000 0.442 373 L N 3.608 124.716 121.223 -0.192 0.000 2.145 373 L HA 0.255 4.598 4.340 0.005 0.000 0.201 373 L C -0.140 176.647 176.870 -0.138 0.000 1.075 373 L CA 1.380 56.078 54.840 -0.236 0.000 0.773 373 L CB 0.242 42.015 42.059 -0.476 0.000 0.936 373 L HN 0.565 nan 8.230 nan 0.000 0.451 374 F N -2.583 117.388 119.950 0.035 0.000 2.741 374 F HA 0.599 5.129 4.527 0.005 0.000 0.311 374 F C -0.733 175.096 175.800 0.049 0.000 1.149 374 F CA -1.652 56.370 58.000 0.037 0.000 0.930 374 F CB 0.823 39.841 39.000 0.030 0.000 1.312 374 F HN -0.228 nan 8.300 nan 0.000 0.450 375 K N 0.714 121.308 120.400 0.324 0.000 2.557 375 K HA 0.585 4.908 4.320 0.005 0.000 0.261 375 K C -2.502 174.257 176.600 0.265 0.000 0.932 375 K CA -0.786 55.644 56.287 0.238 0.000 0.829 375 K CB 2.310 34.880 32.500 0.116 0.000 1.358 375 K HN 1.056 nan 8.250 nan 0.000 0.430 376 H N 0.202 119.347 119.070 0.127 0.000 3.029 376 H HA 0.515 5.074 4.556 0.005 0.000 0.358 376 H C -1.849 173.546 175.328 0.112 0.000 1.129 376 H CA -0.240 55.866 56.048 0.097 0.000 1.230 376 H CB 2.057 31.868 29.762 0.082 0.000 1.827 376 H HN 0.504 nan 8.280 nan 0.000 0.530 377 S N 2.969 118.320 115.700 -0.582 0.000 2.542 377 S HA 0.219 4.692 4.470 0.005 0.000 0.293 377 S C -1.300 173.116 174.600 -0.307 0.000 1.089 377 S CA -0.892 57.150 58.200 -0.263 0.000 0.961 377 S CB 1.586 64.784 63.200 -0.004 0.000 1.062 377 S HN 0.677 nan 8.310 nan 0.000 0.483 378 D N 1.681 122.058 120.400 -0.038 0.000 2.313 378 D HA 0.232 4.875 4.640 0.005 0.000 0.239 378 D C 0.996 177.249 176.300 -0.077 0.000 1.142 378 D CA -0.941 53.027 54.000 -0.053 0.000 0.847 378 D CB 0.471 41.203 40.800 -0.113 0.000 1.082 378 D HN 0.434 nan 8.370 nan 0.000 0.480 379 F N 3.699 123.635 119.950 -0.023 0.000 2.250 379 F HA -0.087 4.443 4.527 0.005 0.000 0.301 379 F C 1.805 177.410 175.800 -0.325 0.000 1.077 379 F CA 0.639 58.416 58.000 -0.371 0.000 1.348 379 F CB -0.406 38.517 39.000 -0.128 0.000 1.040 379 F HN 0.229 nan 8.300 nan 0.000 0.509 380 R N 0.901 120.878 120.500 -0.872 0.000 2.105 380 R HA -0.153 4.190 4.340 0.005 0.000 0.239 380 R C 0.656 176.793 176.300 -0.272 0.000 1.135 380 R CA 1.623 57.378 56.100 -0.575 0.000 0.967 380 R CB -0.723 29.222 30.300 -0.591 0.000 0.861 380 R HN 0.554 nan 8.270 nan 0.000 0.442 381 D N -1.380 118.871 120.400 -0.250 0.000 2.755 381 D HA 0.040 4.683 4.640 0.005 0.000 0.257 381 D C -0.558 175.638 176.300 -0.174 0.000 1.291 381 D CA -0.579 53.326 54.000 -0.159 0.000 0.836 381 D CB -0.341 40.397 40.800 -0.102 0.000 1.059 381 D HN -0.054 nan 8.370 nan 0.000 0.486 382 N N 0.685 119.200 118.700 -0.308 0.000 2.740 382 N HA -0.291 4.452 4.740 0.005 0.000 0.248 382 N C -0.648 174.657 175.510 -0.342 0.000 1.062 382 N CA 0.694 53.480 53.050 -0.439 0.000 0.704 382 N CB -1.666 36.712 38.487 -0.182 0.000 0.968 382 N HN 0.298 nan 8.380 nan 0.000 0.547 383 F N -5.253 114.701 119.950 0.007 0.000 2.914 383 F HA -0.326 4.204 4.527 0.005 0.000 0.304 383 F C 1.770 177.578 175.800 0.014 0.000 0.712 383 F CA 0.838 58.835 58.000 -0.005 0.000 1.211 383 F CB -2.069 36.932 39.000 0.002 0.000 1.515 383 F HN 0.313 nan 8.300 nan 0.000 0.350 384 A N -0.991 121.896 122.820 0.112 0.000 1.902 384 A HA -0.067 4.256 4.320 0.005 0.000 0.217 384 A C 1.486 179.145 177.584 0.124 0.000 1.181 384 A CA 1.986 54.089 52.037 0.111 0.000 0.623 384 A CB -0.582 18.449 19.000 0.051 0.000 0.818 384 A HN 0.366 nan 8.150 nan 0.000 0.443 385 T N 1.029 115.626 114.554 0.071 0.000 2.751 385 T HA 0.430 4.783 4.350 0.005 0.000 0.290 385 T C -0.266 174.490 174.700 0.093 0.000 0.919 385 T CA 0.625 62.758 62.100 0.055 0.000 1.136 385 T CB 0.154 69.025 68.868 0.005 0.000 0.875 385 T HN 0.292 nan 8.240 nan 0.000 0.532 386 S N 3.349 119.119 115.700 0.117 0.000 2.542 386 S HA 0.650 5.123 4.470 0.005 0.000 0.276 386 S C -1.767 172.921 174.600 0.146 0.000 1.148 386 S CA -0.843 57.449 58.200 0.153 0.000 0.886 386 S CB 0.975 64.323 63.200 0.246 0.000 1.109 386 S HN 0.668 nan 8.310 nan 0.000 0.458 387 L N 4.748 126.064 121.223 0.155 0.000 2.438 387 L HA 0.876 5.219 4.340 0.005 0.000 0.270 387 L C -1.707 175.281 176.870 0.197 0.000 0.972 387 L CA -0.492 54.442 54.840 0.157 0.000 0.831 387 L CB 1.730 43.879 42.059 0.150 0.000 1.273 387 L HN 0.519 nan 8.230 nan 0.000 0.405 388 V N 2.520 122.542 119.914 0.181 0.000 2.588 388 V HA 0.631 4.754 4.120 0.005 0.000 0.304 388 V C -0.337 175.780 176.094 0.037 0.000 1.042 388 V CA -0.451 61.920 62.300 0.119 0.000 0.877 388 V CB 1.905 33.787 31.823 0.099 0.000 0.996 388 V HN 0.769 nan 8.190 nan 0.000 0.425 389 T N 4.494 118.971 114.554 -0.128 0.000 2.848 389 T HA 0.514 4.867 4.350 0.005 0.000 0.285 389 T C -0.183 174.320 174.700 -0.328 0.000 0.995 389 T CA -0.658 61.268 62.100 -0.290 0.000 0.970 389 T CB 1.371 69.885 68.868 -0.590 0.000 0.976 389 T HN 0.576 nan 8.240 nan 0.000 0.441 390 R N 1.328 121.720 120.500 -0.182 0.000 2.500 390 R HA 0.728 5.072 4.340 0.005 0.000 0.275 390 R C -0.098 176.130 176.300 -0.120 0.000 1.051 390 R CA -0.684 55.343 56.100 -0.121 0.000 1.088 390 R CB 0.997 31.268 30.300 -0.048 0.000 1.063 390 R HN 0.669 nan 8.270 nan 0.000 0.511 391 A N 1.468 124.249 122.820 -0.066 0.000 2.306 391 A HA 0.472 4.795 4.320 0.005 0.000 0.314 391 A C -0.446 177.182 177.584 0.075 0.000 1.164 391 A CA -0.400 51.636 52.037 -0.001 0.000 0.822 391 A CB 1.173 20.181 19.000 0.014 0.000 1.130 391 A HN 0.607 nan 8.150 nan 0.000 0.496 392 T N 2.389 117.043 114.554 0.167 0.000 2.829 392 T HA 0.532 4.885 4.350 0.005 0.000 0.280 392 T C -0.298 174.647 174.700 0.408 0.000 0.999 392 T CA -0.664 61.595 62.100 0.265 0.000 0.983 392 T CB 1.244 70.314 68.868 0.337 0.000 0.968 392 T HN 0.756 nan 8.240 nan 0.000 0.446 393 K N 1.859 122.390 120.400 0.219 0.000 2.203 393 K HA 0.752 5.075 4.320 0.005 0.000 0.251 393 K C -1.197 175.224 176.600 -0.299 0.000 0.944 393 K CA -1.059 55.270 56.287 0.070 0.000 0.829 393 K CB 1.625 34.122 32.500 -0.004 0.000 1.125 393 K HN 0.352 nan 8.250 nan 0.000 0.430 394 L N 2.598 123.361 121.223 -0.768 0.000 2.295 394 L HA 0.399 4.742 4.340 0.005 0.000 0.285 394 L C -1.397 175.201 176.870 -0.453 0.000 1.035 394 L CA -0.435 53.832 54.840 -0.956 0.000 0.806 394 L CB 1.750 42.820 42.059 -1.649 0.000 1.214 394 L HN 0.571 nan 8.230 nan 0.000 0.426 395 V N 5.720 125.366 119.914 -0.445 0.000 2.487 395 V HA 0.521 4.644 4.120 0.005 0.000 0.298 395 V C -0.652 175.386 176.094 -0.094 0.000 1.028 395 V CA -0.681 61.483 62.300 -0.226 0.000 0.860 395 V CB 1.907 33.526 31.823 -0.340 0.000 0.991 395 V HN 0.492 nan 8.190 nan 0.000 0.427 396 V N 4.484 124.460 119.914 0.104 0.000 2.350 396 V HA 0.714 4.837 4.120 0.005 0.000 0.285 396 V C 0.007 176.261 176.094 0.267 0.000 1.014 396 V CA -0.209 62.185 62.300 0.157 0.000 0.831 396 V CB 1.640 33.580 31.823 0.195 0.000 1.000 396 V HN 1.021 nan 8.190 nan 0.000 0.433 397 S N 4.439 120.256 115.700 0.195 0.000 2.595 397 S HA 0.922 5.395 4.470 0.005 0.000 0.281 397 S C -1.057 173.604 174.600 0.101 0.000 1.117 397 S CA -0.824 57.439 58.200 0.104 0.000 0.873 397 S CB 2.516 65.733 63.200 0.028 0.000 1.108 397 S HN 0.834 nan 8.310 nan 0.000 0.477 398 Q N 0.609 120.437 119.800 0.046 0.000 2.511 398 Q HA 0.769 5.112 4.340 0.005 0.000 0.289 398 Q C -1.714 174.310 176.000 0.039 0.000 1.021 398 Q CA -1.147 54.736 55.803 0.133 0.000 0.785 398 Q CB 1.588 30.528 28.738 0.338 0.000 1.472 398 Q HN 0.748 nan 8.270 nan 0.000 0.411 399 I N 2.257 122.892 120.570 0.108 0.000 2.499 399 I HA 0.502 4.676 4.170 0.005 0.000 0.288 399 I C -1.111 175.128 176.117 0.203 0.000 1.048 399 I CA -0.937 60.400 61.300 0.061 0.000 1.062 399 I CB 1.413 39.416 38.000 0.006 0.000 1.238 399 I HN 0.677 nan 8.210 nan 0.000 0.426 400 F N 3.062 123.097 119.950 0.141 0.000 2.538 400 F HA 0.804 5.334 4.527 0.005 0.000 0.325 400 F C -0.560 175.339 175.800 0.165 0.000 1.066 400 F CA -0.717 57.380 58.000 0.162 0.000 0.946 400 F CB 1.578 40.681 39.000 0.172 0.000 1.199 400 F HN 0.169 nan 8.300 nan 0.000 0.473 401 T N 2.604 117.361 114.554 0.338 0.000 2.786 401 T HA 0.679 5.032 4.350 0.005 0.000 0.283 401 T C -0.456 174.392 174.700 0.247 0.000 0.992 401 T CA -0.459 61.748 62.100 0.179 0.000 0.954 401 T CB 1.145 70.076 68.868 0.105 0.000 0.934 401 T HN 0.911 nan 8.240 nan 0.000 0.440 402 A N 2.934 125.875 122.820 0.202 0.000 2.540 402 A HA 0.768 5.091 4.320 0.005 0.000 0.340 402 A C 1.174 178.696 177.584 -0.104 0.000 1.424 402 A CA 0.041 52.100 52.037 0.038 0.000 0.940 402 A CB -0.877 18.235 19.000 0.187 0.000 1.149 402 A HN 1.480 nan 8.150 nan 0.000 0.505 403 A N 2.441 125.189 122.820 -0.120 0.000 5.078 403 A HA -0.316 4.007 4.320 0.005 0.000 0.342 403 A C 1.076 178.686 177.584 0.044 0.000 1.749 403 A CA 1.713 53.738 52.037 -0.019 0.000 0.700 403 A CB -2.106 16.877 19.000 -0.028 0.000 1.446 403 A HN 1.533 nan 8.150 nan 0.000 0.395 407 Y N 1.206 121.197 120.300 -0.516 0.000 2.328 407 Y HA 0.445 4.998 4.550 0.005 0.000 0.333 407 Y C -0.428 175.229 175.900 -0.406 0.000 0.958 407 Y CA -0.820 56.965 58.100 -0.525 0.000 1.167 407 Y CB 1.186 39.099 38.460 -0.912 0.000 1.151 407 Y HN 0.456 nan 8.280 nan 0.000 0.470 408 C N 5.636 124.851 119.300 -0.141 0.000 2.273 408 C HA 0.619 5.082 4.460 0.005 0.000 0.328 408 C C -0.045 174.751 174.990 -0.323 0.000 1.275 408 C CA -1.134 57.757 59.018 -0.212 0.000 1.704 408 C CB -0.935 26.771 27.740 -0.056 0.000 2.326 408 C HN 0.652 nan 8.230 nan 0.000 0.517 409 L N 3.813 124.742 121.223 -0.490 0.000 2.333 409 L HA 0.517 4.860 4.340 0.005 0.000 0.280 409 L C -1.152 175.342 176.870 -0.626 0.000 1.004 409 L CA -0.448 54.148 54.840 -0.406 0.000 0.820 409 L CB 0.923 42.905 42.059 -0.127 0.000 1.247 409 L HN 0.628 nan 8.230 nan 0.000 0.416 410 Y N 0.849 120.992 120.300 -0.261 0.000 2.332 410 Y HA 0.315 4.868 4.550 0.005 0.000 0.326 410 Y C -0.864 174.839 175.900 -0.329 0.000 0.978 410 Y CA -0.668 57.325 58.100 -0.179 0.000 1.205 410 Y CB 1.201 39.585 38.460 -0.126 0.000 1.131 410 Y HN 0.460 nan 8.280 nan 0.000 0.462 411 W N 3.671 124.988 121.300 0.028 0.000 2.322 411 W HA 0.641 5.304 4.660 0.005 0.000 0.307 411 W C -0.935 175.520 176.519 -0.107 0.000 1.220 411 W CA -0.759 56.534 57.345 -0.086 0.000 1.210 411 W CB 1.097 30.515 29.460 -0.071 0.000 1.223 411 W HN 0.125 nan 8.180 nan 0.000 0.511 412 V N 5.099 124.967 119.914 -0.077 0.000 2.444 412 V HA 0.425 4.548 4.120 0.005 0.000 0.294 412 V C -0.656 175.254 176.094 -0.306 0.000 1.022 412 V CA -1.140 61.088 62.300 -0.120 0.000 0.850 412 V CB 0.698 32.451 31.823 -0.117 0.000 0.992 412 V HN 0.216 nan 8.190 nan 0.000 0.426 413 F N 4.360 124.175 119.950 -0.224 0.000 2.443 413 F HA 0.754 5.284 4.527 0.005 0.000 0.335 413 F C 0.311 176.197 175.800 0.143 0.000 1.104 413 F CA -0.491 57.395 58.000 -0.190 0.000 1.013 413 F CB 1.797 40.556 39.000 -0.402 0.000 1.136 413 F HN 0.275 nan 8.300 nan 0.000 0.470 414 M N 1.579 121.503 119.600 0.539 0.000 2.690 414 M HA 0.310 4.793 4.480 0.005 0.000 0.302 414 M C 0.486 177.179 176.300 0.654 0.000 1.234 414 M CA -0.566 55.066 55.300 0.553 0.000 0.853 414 M CB 2.404 35.173 32.600 0.281 0.000 1.748 414 M HN 0.593 nan 8.290 nan 0.000 0.469 415 Q N 0.486 120.545 119.800 0.432 0.000 2.444 415 Q HA -0.076 4.267 4.340 0.005 0.000 0.206 415 Q C 0.278 176.379 176.000 0.169 0.000 0.948 415 Q CA 0.572 56.522 55.803 0.245 0.000 0.946 415 Q CB 0.109 28.911 28.738 0.106 0.000 1.027 415 Q HN 0.614 nan 8.270 nan 0.000 0.513 416 D N -1.262 119.248 120.400 0.182 0.000 2.328 416 D HA 0.046 4.689 4.640 0.005 0.000 0.221 416 D C 1.128 177.457 176.300 0.048 0.000 1.072 416 D CA 0.664 54.712 54.000 0.081 0.000 0.850 416 D CB 0.264 41.123 40.800 0.099 0.000 0.922 416 D HN 0.217 nan 8.370 nan 0.000 0.516 417 G N -0.209 108.721 108.800 0.217 0.000 2.176 417 G HA2 -0.179 3.784 3.960 0.005 0.000 0.253 417 G HA3 -0.179 3.784 3.960 0.005 0.000 0.253 417 G C 0.535 175.765 174.900 0.549 0.000 0.979 417 G CA 0.163 45.461 45.100 0.330 0.000 0.641 417 G HN 0.817 nan 8.290 nan 0.000 0.530 418 A N -0.249 122.786 122.820 0.358 0.000 2.351 418 A HA 0.760 5.083 4.320 0.005 0.000 0.257 418 A C 0.244 177.948 177.584 0.200 0.000 1.087 418 A CA 0.212 52.406 52.037 0.262 0.000 0.798 418 A CB 0.435 19.509 19.000 0.123 0.000 1.033 418 A HN 0.857 nan 8.150 nan 0.000 0.488 419 I N 0.813 121.421 120.570 0.062 0.000 2.498 419 I HA 0.483 4.656 4.170 0.005 0.000 0.290 419 I C 0.140 176.154 176.117 -0.171 0.000 1.032 419 I CA -0.332 60.818 61.300 -0.250 0.000 1.073 419 I CB 2.000 39.785 38.000 -0.358 0.000 1.251 419 I HN 0.761 nan 8.210 nan 0.000 0.426 420 R N 5.653 126.009 120.500 -0.239 0.000 2.750 420 R HA 0.646 4.989 4.340 0.005 0.000 0.281 420 R C -1.732 174.416 176.300 -0.254 0.000 0.972 420 R CA -0.739 55.245 56.100 -0.195 0.000 0.912 420 R CB 2.181 32.391 30.300 -0.149 0.000 1.187 420 R HN 0.573 nan 8.270 nan 0.000 0.464 421 L N 3.706 124.730 121.223 -0.332 0.000 2.305 421 L HA 0.439 4.782 4.340 0.005 0.000 0.284 421 L C -1.334 175.308 176.870 -0.379 0.000 1.013 421 L CA -0.609 53.919 54.840 -0.521 0.000 0.819 421 L CB 1.541 43.151 42.059 -0.749 0.000 1.227 421 L HN 0.674 nan 8.230 nan 0.000 0.417 422 D N 5.882 126.115 120.400 -0.280 0.000 2.256 422 D HA 0.550 5.193 4.640 0.005 0.000 0.246 422 D C -0.385 175.878 176.300 -0.062 0.000 1.042 422 D CA -0.002 53.911 54.000 -0.144 0.000 0.841 422 D CB 2.663 43.401 40.800 -0.104 0.000 1.223 422 D HN 0.329 nan 8.370 nan 0.000 0.470 423 I N 1.537 122.067 120.570 -0.067 0.000 2.608 423 I HA 0.402 4.575 4.170 0.005 0.000 0.295 423 I C 0.010 176.130 176.117 0.006 0.000 1.049 423 I CA -0.812 60.456 61.300 -0.052 0.000 1.063 423 I CB 2.095 39.968 38.000 -0.211 0.000 1.248 423 I HN -0.049 nan 8.210 nan 0.000 0.424 424 R N 6.047 126.582 120.500 0.058 0.000 2.480 424 R HA 0.607 4.950 4.340 0.005 0.000 0.306 424 R C -1.323 174.927 176.300 -0.084 0.000 0.958 424 R CA -0.843 55.258 56.100 0.002 0.000 0.861 424 R CB 2.148 32.487 30.300 0.065 0.000 1.171 424 R HN 0.487 nan 8.270 nan 0.000 0.445 425 L N 2.260 123.389 121.223 -0.157 0.000 2.276 425 L HA 0.440 4.783 4.340 0.005 0.000 0.286 425 L C 0.674 177.389 176.870 -0.257 0.000 1.061 425 L CA -0.087 54.575 54.840 -0.297 0.000 0.807 425 L CB 1.429 43.261 42.059 -0.378 0.000 1.177 425 L HN 0.679 nan 8.230 nan 0.000 0.429 426 T N 1.108 115.485 114.554 -0.296 0.000 2.564 426 T HA 0.797 5.150 4.350 0.005 0.000 0.265 426 T C 0.080 174.628 174.700 -0.254 0.000 0.908 426 T CA 0.422 62.385 62.100 -0.229 0.000 1.166 426 T CB 1.211 69.969 68.868 -0.183 0.000 1.497 426 T HN 0.973 nan 8.240 nan 0.000 0.484 427 G N 0.447 109.103 108.800 -0.239 0.000 2.499 427 G HA2 -0.090 3.873 3.960 0.005 0.000 0.232 427 G HA3 -0.090 3.873 3.960 0.005 0.000 0.232 427 G C -0.812 173.942 174.900 -0.243 0.000 1.251 427 G CA -0.095 44.858 45.100 -0.245 0.000 0.917 427 G HN 0.935 nan 8.290 nan 0.000 0.580 428 I N 0.893 121.311 120.570 -0.253 0.000 2.509 428 I HA 0.406 4.580 4.170 0.005 0.000 0.293 428 I C 0.730 176.736 176.117 -0.185 0.000 1.020 428 I CA -0.874 60.259 61.300 -0.278 0.000 1.088 428 I CB 1.732 39.424 38.000 -0.514 0.000 1.267 428 I HN 0.486 nan 8.210 nan 0.000 0.430 429 L N 5.273 126.495 121.223 -0.001 0.000 2.540 429 L HA -0.014 4.330 4.340 0.005 0.000 0.276 429 L C 0.968 177.849 176.870 0.019 0.000 1.212 429 L CA 0.299 55.188 54.840 0.081 0.000 0.893 429 L CB -0.207 41.964 42.059 0.187 0.000 1.138 429 L HN 0.664 nan 8.230 nan 0.000 0.491 430 N N 2.443 121.192 118.700 0.080 0.000 2.483 430 N HA 0.054 4.798 4.740 0.005 0.000 0.264 430 N C -0.649 174.944 175.510 0.138 0.000 1.197 430 N CA -0.079 53.064 53.050 0.155 0.000 0.927 430 N CB 0.852 39.428 38.487 0.149 0.000 1.065 430 N HN 0.703 nan 8.380 nan 0.000 0.461 431 T N 0.947 115.651 114.554 0.252 0.000 2.907 431 T HA 0.423 4.776 4.350 0.005 0.000 0.292 431 T C -1.005 173.767 174.700 0.120 0.000 1.043 431 T CA -0.756 61.430 62.100 0.142 0.000 1.003 431 T CB 1.570 70.566 68.868 0.214 0.000 1.084 431 T HN 0.494 nan 8.240 nan 0.000 0.483 432 Y N 1.405 121.560 120.300 -0.242 0.000 2.602 432 Y HA 0.692 5.245 4.550 0.005 0.000 0.342 432 Y C -0.466 175.336 175.900 -0.164 0.000 1.029 432 Y CA -2.123 55.827 58.100 -0.250 0.000 1.080 432 Y CB 1.491 39.717 38.460 -0.389 0.000 1.284 432 Y HN 0.986 nan 8.280 nan 0.000 0.485 433 I N 3.942 123.895 120.570 -1.027 0.000 2.779 433 I HA 0.245 4.418 4.170 0.005 0.000 0.285 433 I C -1.294 174.571 176.117 -0.420 0.000 1.134 433 I CA -0.269 60.649 61.300 -0.636 0.000 1.398 433 I CB 0.578 38.215 38.000 -0.604 0.000 1.404 433 I HN 0.602 nan 8.210 nan 0.000 0.587 434 L N 6.765 127.861 121.223 -0.211 0.000 2.409 434 L HA 0.620 4.963 4.340 0.005 0.000 0.272 434 L C 0.012 176.841 176.870 -0.069 0.000 0.980 434 L CA -0.113 54.673 54.840 -0.090 0.000 0.826 434 L CB 1.531 43.550 42.059 -0.066 0.000 1.268 434 L HN 0.629 nan 8.230 nan 0.000 0.407 435 G N 2.294 111.077 108.800 -0.028 0.000 2.594 435 G HA2 0.110 4.073 3.960 0.005 0.000 0.243 435 G HA3 0.110 4.073 3.960 0.005 0.000 0.243 435 G C 0.344 175.236 174.900 -0.013 0.000 1.229 435 G CA -0.161 44.929 45.100 -0.016 0.000 0.843 435 G HN 0.790 nan 8.290 nan 0.000 0.578 436 D N 0.263 120.659 120.400 -0.006 0.000 2.149 436 D HA -0.107 4.537 4.640 0.005 0.000 0.194 436 D C 1.203 177.500 176.300 -0.006 0.000 1.001 436 D CA 1.431 55.430 54.000 -0.000 0.000 0.849 436 D CB 0.193 40.997 40.800 0.007 0.000 0.939 436 D HN 0.382 nan 8.370 nan 0.000 0.449 437 D N 0.099 120.499 120.400 -0.001 0.000 2.424 437 D HA 0.036 4.679 4.640 0.005 0.000 0.220 437 D C 0.119 176.422 176.300 0.005 0.000 1.150 437 D CA -0.093 53.907 54.000 -0.000 0.000 0.831 437 D CB 0.179 40.980 40.800 0.002 0.000 0.981 437 D HN 0.299 nan 8.370 nan 0.000 0.500 438 E N 1.543 121.748 120.200 0.009 0.000 2.289 438 E HA 0.057 4.411 4.350 0.005 0.000 0.278 438 E C -0.348 176.263 176.600 0.018 0.000 1.032 438 E CA -0.410 56.005 56.400 0.024 0.000 0.854 438 E CB 0.882 30.606 29.700 0.040 0.000 1.046 438 E HN -0.136 nan 8.360 nan 0.000 0.409 439 E N 2.771 122.985 120.200 0.022 0.000 2.229 439 E HA 0.160 4.513 4.350 0.005 0.000 0.283 439 E C 0.103 176.721 176.600 0.030 0.000 1.030 439 E CA -0.111 56.294 56.400 0.008 0.000 0.836 439 E CB 1.713 31.406 29.700 -0.011 0.000 1.068 439 E HN 0.642 nan 8.360 nan 0.000 0.401 440 A N 3.601 126.437 122.820 0.027 0.000 1.970 440 A HA 0.097 4.421 4.320 0.005 0.000 0.216 440 A C 1.253 178.863 177.584 0.043 0.000 1.170 440 A CA 1.015 53.094 52.037 0.070 0.000 0.645 440 A CB -0.241 18.794 19.000 0.058 0.000 0.816 440 A HN 0.541 nan 8.150 nan 0.000 0.447 441 G N -0.500 108.276 108.800 -0.041 0.000 2.606 441 G HA2 0.403 4.366 3.960 0.005 0.000 0.252 441 G HA3 0.403 4.366 3.960 0.005 0.000 0.252 441 G C -1.310 173.394 174.900 -0.326 0.000 1.206 441 G CA -0.452 44.564 45.100 -0.141 0.000 0.861 441 G HN 0.187 nan 8.290 nan 0.000 0.561 442 P HA 0.080 nan 4.420 nan 0.000 0.255 442 P C 0.411 177.495 177.300 -0.358 0.000 1.248 442 P CA 0.332 63.074 63.100 -0.596 0.000 0.807 442 P CB 0.154 31.349 31.700 -0.841 0.000 1.150 443 W N 0.468 121.823 121.300 0.090 0.000 3.197 443 W HA 0.419 5.082 4.660 0.005 0.000 0.274 443 W C 1.009 177.629 176.519 0.168 0.000 1.297 443 W CA -0.131 57.274 57.345 0.100 0.000 1.662 443 W CB 0.404 29.878 29.460 0.023 0.000 1.106 443 W HN -0.019 nan 8.180 nan 0.000 0.663 444 G N -0.532 108.459 108.800 0.318 0.000 2.606 444 G HA2 0.525 4.488 3.960 0.005 0.000 0.300 444 G HA3 0.525 4.488 3.960 0.005 0.000 0.300 444 G C -1.462 173.533 174.900 0.157 0.000 1.360 444 G CA -0.620 44.656 45.100 0.293 0.000 0.783 444 G HN -0.298 nan 8.290 nan 0.000 0.484 445 T N 0.141 114.760 114.554 0.109 0.000 2.881 445 T HA 0.450 4.803 4.350 0.005 0.000 0.290 445 T C -0.066 174.632 174.700 -0.004 0.000 1.000 445 T CA -0.633 61.497 62.100 0.050 0.000 0.978 445 T CB 1.893 70.797 68.868 0.060 0.000 0.997 445 T HN 0.574 nan 8.240 nan 0.000 0.443 446 R N 2.924 123.412 120.500 -0.021 0.000 2.357 446 R HA 0.244 4.587 4.340 0.005 0.000 0.330 446 R C 1.107 177.365 176.300 -0.070 0.000 1.102 446 R CA -0.139 55.924 56.100 -0.061 0.000 0.974 446 R CB -0.201 30.065 30.300 -0.057 0.000 1.002 446 R HN 0.589 nan 8.270 nan 0.000 0.463 447 V N 2.355 122.190 119.914 -0.132 0.000 3.608 447 V HA 0.258 4.382 4.120 0.005 0.000 0.269 447 V C -0.199 175.881 176.094 -0.023 0.000 1.245 447 V CA 0.089 62.318 62.300 -0.119 0.000 1.138 447 V CB -0.875 30.799 31.823 -0.248 0.000 0.841 447 V HN 0.700 nan 8.190 nan 0.000 0.451 448 Y N -0.840 119.313 120.300 -0.245 0.000 2.638 448 Y HA 0.551 5.105 4.550 0.005 0.000 0.334 448 Y C -3.182 172.586 175.900 -0.221 0.000 1.182 448 Y CA -2.124 55.878 58.100 -0.164 0.000 1.102 448 Y CB 1.463 39.858 38.460 -0.108 0.000 1.343 448 Y HN -0.121 nan 8.280 nan 0.000 0.463 449 P HA 0.133 nan 4.420 nan 0.000 0.264 449 P C -0.601 176.483 177.300 -0.361 0.000 1.193 449 P CA 1.025 63.745 63.100 -0.633 0.000 0.763 449 P CB 0.324 31.279 31.700 -1.243 0.000 0.810 450 N N -0.520 118.061 118.700 -0.198 0.000 2.741 450 N HA -0.132 4.611 4.740 0.005 0.000 0.251 450 N C -0.861 174.570 175.510 -0.133 0.000 1.112 450 N CA 0.742 53.721 53.050 -0.119 0.000 0.750 450 N CB -1.546 36.904 38.487 -0.063 0.000 1.119 450 N HN 0.172 nan 8.380 nan 0.000 0.561 451 V N 1.101 120.933 119.914 -0.136 0.000 2.444 451 V HA 0.306 4.429 4.120 0.005 0.000 0.294 451 V C 0.267 176.259 176.094 -0.170 0.000 1.022 451 V CA -0.818 61.384 62.300 -0.162 0.000 0.850 451 V CB 2.026 33.712 31.823 -0.227 0.000 0.992 451 V HN 0.209 nan 8.190 nan 0.000 0.426 452 N N 3.235 121.842 118.700 -0.155 0.000 2.476 452 N HA 0.637 5.380 4.740 0.005 0.000 0.257 452 N C -0.344 175.051 175.510 -0.192 0.000 0.970 452 N CA -0.432 52.543 53.050 -0.125 0.000 0.938 452 N CB 1.217 39.669 38.487 -0.057 0.000 1.144 452 N HN 0.831 nan 8.380 nan 0.000 0.500 453 A N 3.600 126.352 122.820 -0.113 0.000 2.280 453 A HA 0.250 4.573 4.320 0.005 0.000 0.320 453 A C -0.604 177.036 177.584 0.094 0.000 1.366 453 A CA -0.440 51.568 52.037 -0.049 0.000 0.938 453 A CB -0.141 18.840 19.000 -0.032 0.000 1.157 453 A HN 0.846 nan 8.150 nan 0.000 0.536 454 H N 2.118 121.296 119.070 0.181 0.000 2.790 454 H HA 0.049 4.608 4.556 0.005 0.000 0.358 454 H C 0.216 175.720 175.328 0.293 0.000 1.103 454 H CA -0.367 55.833 56.048 0.253 0.000 1.426 454 H CB 0.641 30.573 29.762 0.283 0.000 1.424 454 H HN 0.657 nan 8.280 nan 0.000 0.599 455 N N 2.991 121.891 118.700 0.332 0.000 2.395 455 N HA -0.010 4.734 4.740 0.005 0.000 0.246 455 N C -0.193 175.267 175.510 -0.083 0.000 1.246 455 N CA 0.492 53.576 53.050 0.057 0.000 0.879 455 N CB 0.347 38.910 38.487 0.126 0.000 1.098 455 N HN 0.682 nan 8.380 nan 0.000 0.444 456 H N -1.663 117.131 119.070 -0.460 0.000 3.003 456 H HA 0.333 4.892 4.556 0.005 0.000 0.327 456 H C -1.344 173.698 175.328 -0.475 0.000 1.353 456 H CA -0.784 54.864 56.048 -0.667 0.000 1.142 456 H CB 0.857 29.726 29.762 -1.489 0.000 1.864 456 H HN 0.394 nan 8.280 nan 0.000 0.529 457 Q N 0.784 120.367 119.800 -0.361 0.000 2.257 457 Q HA 0.352 4.696 4.340 0.005 0.000 0.262 457 Q C -0.700 175.162 176.000 -0.229 0.000 0.997 457 Q CA -0.926 54.731 55.803 -0.245 0.000 0.873 457 Q CB 2.213 30.856 28.738 -0.158 0.000 1.312 457 Q HN 0.526 nan 8.270 nan 0.000 0.450 458 H N 2.049 121.110 119.070 -0.015 0.000 2.638 458 H HA 0.413 4.972 4.556 0.005 0.000 0.317 458 H C -0.819 174.400 175.328 -0.182 0.000 1.006 458 H CA -0.289 55.727 56.048 -0.054 0.000 1.222 458 H CB 0.844 30.683 29.762 0.128 0.000 1.419 458 H HN 0.348 nan 8.280 nan 0.000 0.489 459 L N 3.838 124.915 121.223 -0.243 0.000 2.346 459 L HA 0.471 4.814 4.340 0.005 0.000 0.274 459 L C -0.867 175.765 176.870 -0.397 0.000 1.007 459 L CA -0.796 53.939 54.840 -0.175 0.000 0.818 459 L CB 1.464 43.505 42.059 -0.029 0.000 1.284 459 L HN 0.354 nan 8.230 nan 0.000 0.424 460 F N -0.022 119.791 119.950 -0.230 0.000 2.563 460 F HA 0.430 4.960 4.527 0.005 0.000 0.316 460 F C 0.303 175.973 175.800 -0.217 0.000 1.076 460 F CA -0.758 57.036 58.000 -0.342 0.000 0.921 460 F CB 2.192 40.689 39.000 -0.838 0.000 1.209 460 F HN 0.226 nan 8.300 nan 0.000 0.462 461 S N 3.022 118.638 115.700 -0.140 0.000 2.528 461 S HA 0.456 4.929 4.470 0.005 0.000 0.303 461 S C -1.069 173.603 174.600 0.121 0.000 1.123 461 S CA -0.532 57.577 58.200 -0.153 0.000 1.138 461 S CB -0.035 62.653 63.200 -0.853 0.000 0.984 461 S HN 0.558 nan 8.310 nan 0.000 0.474 462 L N 6.011 127.429 121.223 0.325 0.000 2.361 462 L HA 0.475 4.818 4.340 0.005 0.000 0.278 462 L C 0.294 177.204 176.870 0.066 0.000 1.113 462 L CA 0.302 55.303 54.840 0.268 0.000 0.849 462 L CB 0.426 42.678 42.059 0.322 0.000 1.155 462 L HN 0.650 nan 8.230 nan 0.000 0.452 463 R N 6.372 126.798 120.500 -0.125 0.000 2.229 463 R HA 0.550 4.893 4.340 0.005 0.000 0.332 463 R C -1.318 174.730 176.300 -0.420 0.000 0.989 463 R CA -0.474 55.303 56.100 -0.537 0.000 0.842 463 R CB 0.477 30.436 30.300 -0.569 0.000 1.119 463 R HN 0.765 nan 8.270 nan 0.000 0.456 464 I N 3.527 123.847 120.570 -0.418 0.000 2.389 464 I HA 0.177 4.350 4.170 0.005 0.000 0.288 464 I C -0.620 175.330 176.117 -0.278 0.000 0.999 464 I CA -0.772 60.282 61.300 -0.410 0.000 1.129 464 I CB 1.906 39.617 38.000 -0.483 0.000 1.288 464 I HN 0.510 nan 8.210 nan 0.000 0.444 465 D N 9.514 129.781 120.400 -0.221 0.000 2.473 465 D HA 0.341 4.984 4.640 0.005 0.000 0.226 465 D C -2.564 173.754 176.300 0.030 0.000 1.089 465 D CA -2.048 51.922 54.000 -0.050 0.000 0.883 465 D CB 1.391 42.206 40.800 0.026 0.000 1.029 465 D HN 0.139 nan 8.370 nan 0.000 0.517 466 P HA 0.414 nan 4.420 nan 0.000 0.282 466 P C -0.484 176.906 177.300 0.150 0.000 1.259 466 P CA -0.658 62.575 63.100 0.222 0.000 0.826 466 P CB 1.405 33.218 31.700 0.188 0.000 1.064 467 R N 1.297 121.892 120.500 0.158 0.000 2.583 467 R HA 0.291 4.634 4.340 0.005 0.000 0.282 467 R C -0.327 176.021 176.300 0.081 0.000 1.288 467 R CA -0.549 55.604 56.100 0.088 0.000 1.415 467 R CB 0.323 30.680 30.300 0.095 0.000 1.331 467 R HN 0.412 nan 8.270 nan 0.000 0.719 468 I N 2.377 123.006 120.570 0.098 0.000 2.680 468 I HA -0.087 4.086 4.170 0.005 0.000 0.286 468 I C 0.762 176.994 176.117 0.191 0.000 1.144 468 I CA 0.937 62.334 61.300 0.162 0.000 1.370 468 I CB -0.327 37.803 38.000 0.217 0.000 1.420 468 I HN 0.509 nan 8.210 nan 0.000 0.540 469 D N 5.045 125.598 120.400 0.255 0.000 2.811 469 D HA -0.161 4.482 4.640 0.005 0.000 0.231 469 D C 0.636 176.956 176.300 0.035 0.000 1.157 469 D CA 1.627 55.674 54.000 0.078 0.000 0.716 469 D CB -0.660 40.072 40.800 -0.114 0.000 1.077 469 D HN 1.169 nan 8.370 nan 0.000 0.428 470 G N -1.031 107.803 108.800 0.057 0.000 2.409 470 G HA2 -0.064 3.899 3.960 0.005 0.000 0.421 470 G HA3 -0.064 3.899 3.960 0.005 0.000 0.421 470 G C -1.043 173.868 174.900 0.018 0.000 1.259 470 G CA -0.223 44.895 45.100 0.029 0.000 1.011 470 G HN 0.211 nan 8.290 nan 0.000 0.497 471 D N 0.813 121.212 120.400 -0.002 0.000 2.264 471 D HA 0.527 5.170 4.640 0.005 0.000 0.249 471 D C 0.781 177.071 176.300 -0.016 0.000 1.070 471 D CA 1.305 55.294 54.000 -0.018 0.000 0.912 471 D CB 1.246 42.025 40.800 -0.035 0.000 1.193 471 D HN 2.059 nan 8.370 nan 0.000 0.427 472 G N 1.495 110.281 108.800 -0.023 0.000 2.897 472 G HA2 -0.169 3.794 3.960 0.005 0.000 0.436 472 G HA3 -0.169 3.794 3.960 0.005 0.000 0.436 472 G C -0.755 174.120 174.900 -0.043 0.000 1.079 472 G CA -0.730 44.355 45.100 -0.026 0.000 1.090 472 G HN 0.588 nan 8.290 nan 0.000 0.480 473 N N -0.221 118.442 118.700 -0.061 0.000 2.469 473 N HA 0.831 5.574 4.740 0.005 0.000 0.286 473 N C -0.424 174.958 175.510 -0.213 0.000 1.275 473 N CA -0.792 52.182 53.050 -0.126 0.000 0.790 473 N CB 1.996 40.454 38.487 -0.048 0.000 1.446 473 N HN 0.392 nan 8.380 nan 0.000 0.501 474 S N -0.236 115.179 115.700 -0.475 0.000 2.651 474 S HA 0.824 5.297 4.470 0.005 0.000 0.279 474 S C -1.291 173.056 174.600 -0.422 0.000 1.148 474 S CA -0.681 57.211 58.200 -0.514 0.000 0.837 474 S CB 1.999 64.701 63.200 -0.831 0.000 1.138 474 S HN 0.680 nan 8.310 nan 0.000 0.478 475 A N 0.311 123.114 122.820 -0.029 0.000 2.469 475 A HA 1.011 5.334 4.320 0.005 0.000 0.299 475 A C -1.001 176.559 177.584 -0.039 0.000 1.098 475 A CA -0.611 51.568 52.037 0.235 0.000 0.737 475 A CB 1.526 20.884 19.000 0.596 0.000 1.312 475 A HN 1.403 nan 8.150 nan 0.000 0.414 476 A N -0.366 122.387 122.820 -0.112 0.000 2.594 476 A HA 0.851 5.174 4.320 0.005 0.000 0.295 476 A C -0.359 177.061 177.584 -0.275 0.000 1.071 476 A CA 0.033 51.748 52.037 -0.537 0.000 0.685 476 A CB 1.050 20.006 19.000 -0.074 0.000 1.285 476 A HN 2.431 nan 8.150 nan 0.000 0.405 477 A N -0.001 122.646 122.820 -0.289 0.000 2.301 477 A HA 0.591 4.914 4.320 0.005 0.000 0.312 477 A C -0.318 177.183 177.584 -0.138 0.000 1.182 477 A CA -0.294 51.686 52.037 -0.095 0.000 0.826 477 A CB 0.036 19.116 19.000 0.133 0.000 1.134 477 A HN 1.226 nan 8.150 nan 0.000 0.501 478 C N 2.494 121.673 119.300 -0.202 0.000 2.322 478 C HA 0.591 5.054 4.460 0.005 0.000 0.324 478 C C -0.834 174.057 174.990 -0.166 0.000 1.249 478 C CA -0.868 58.069 59.018 -0.135 0.000 1.453 478 C CB 0.251 27.939 27.740 -0.085 0.000 2.145 478 C HN 0.788 nan 8.230 nan 0.000 0.466 479 D N 2.292 122.607 120.400 -0.140 0.000 2.391 479 D HA 0.474 5.118 4.640 0.005 0.000 0.245 479 D C -0.180 176.011 176.300 -0.183 0.000 1.069 479 D CA 0.125 54.028 54.000 -0.162 0.000 0.831 479 D CB 2.102 42.816 40.800 -0.144 0.000 1.204 479 D HN 0.682 nan 8.370 nan 0.000 0.503 480 A N 3.281 126.000 122.820 -0.168 0.000 2.454 480 A HA 0.335 4.658 4.320 0.005 0.000 0.260 480 A C 0.175 177.613 177.584 -0.244 0.000 1.106 480 A CA 0.097 52.026 52.037 -0.179 0.000 0.780 480 A CB 0.313 19.216 19.000 -0.162 0.000 1.044 480 A HN 0.393 nan 8.150 nan 0.000 0.498 481 K N 2.342 122.533 120.400 -0.348 0.000 2.464 481 K HA 0.410 4.733 4.320 0.005 0.000 0.253 481 K C -0.676 175.848 176.600 -0.127 0.000 0.933 481 K CA -0.642 55.459 56.287 -0.310 0.000 0.801 481 K CB 2.138 34.366 32.500 -0.453 0.000 1.271 481 K HN 0.622 nan 8.250 nan 0.000 0.430 482 S N 1.096 116.807 115.700 0.019 0.000 2.573 482 S HA -0.031 4.442 4.470 0.005 0.000 0.277 482 S C 0.516 175.288 174.600 0.288 0.000 1.346 482 S CA -0.196 58.105 58.200 0.170 0.000 1.034 482 S CB 0.812 64.079 63.200 0.112 0.000 0.879 482 S HN 0.614 nan 8.310 nan 0.000 0.528 483 S N 2.704 118.617 115.700 0.354 0.000 2.558 483 S HA 0.066 4.539 4.470 0.005 0.000 0.291 483 S C -1.045 173.692 174.600 0.228 0.000 1.306 483 S CA -1.099 57.310 58.200 0.349 0.000 1.056 483 S CB 0.291 63.664 63.200 0.290 0.000 0.836 483 S HN 0.570 nan 8.310 nan 0.000 0.504 484 P HA -0.012 nan 4.420 nan 0.000 0.229 484 P C -0.292 176.935 177.300 -0.123 0.000 1.160 484 P CA 0.635 63.717 63.100 -0.030 0.000 0.777 484 P CB -0.093 31.516 31.700 -0.153 0.000 0.814 485 Y N 2.693 123.021 120.300 0.047 0.000 2.425 485 Y HA 0.181 4.733 4.550 0.004 0.000 0.331 485 Y C -1.360 174.560 175.900 0.034 0.000 1.157 485 Y CA -2.316 55.801 58.100 0.029 0.000 1.372 485 Y CB -0.373 38.097 38.460 0.016 0.000 1.253 485 Y HN 0.035 nan 8.280 nan 0.000 0.536 486 P HA 0.035 nan 4.420 nan 0.000 0.276 486 P C -0.618 176.734 177.300 0.086 0.000 1.244 486 P CA -0.560 62.596 63.100 0.094 0.000 0.801 486 P CB 1.102 32.838 31.700 0.060 0.000 1.006 487 L N 1.738 122.997 121.223 0.061 0.000 2.615 487 L HA 0.150 4.493 4.340 0.005 0.000 0.284 487 L C 1.441 178.312 176.870 0.001 0.000 1.237 487 L CA 2.337 57.197 54.840 0.034 0.000 0.905 487 L CB -1.201 40.877 42.059 0.031 0.000 1.149 487 L HN 0.872 nan 8.230 nan 0.000 0.499 488 G N 2.168 110.940 108.800 -0.047 0.000 2.176 488 G HA2 -0.266 3.697 3.960 0.005 0.000 0.253 488 G HA3 -0.266 3.697 3.960 0.005 0.000 0.253 488 G C 0.286 175.153 174.900 -0.054 0.000 0.979 488 G CA 0.367 45.418 45.100 -0.081 0.000 0.641 488 G HN 1.209 nan 8.290 nan 0.000 0.530 489 S N 0.089 115.780 115.700 -0.015 0.000 2.601 489 S HA 0.618 5.091 4.470 0.005 0.000 0.271 489 S C -0.847 173.724 174.600 -0.049 0.000 1.305 489 S CA -0.613 57.588 58.200 0.000 0.000 1.022 489 S CB 2.150 65.400 63.200 0.082 0.000 0.940 489 S HN -0.020 nan 8.310 nan 0.000 0.525 490 P HA -0.080 nan 4.420 nan 0.000 0.218 490 P C 0.750 177.977 177.300 -0.122 0.000 1.148 490 P CA 1.179 64.227 63.100 -0.086 0.000 0.822 490 P CB 0.006 31.657 31.700 -0.083 0.000 0.784 491 E N -1.844 118.235 120.200 -0.201 0.000 2.285 491 E HA -0.030 4.324 4.350 0.005 0.000 0.194 491 E C 0.746 177.268 176.600 -0.130 0.000 0.997 491 E CA 0.656 56.870 56.400 -0.309 0.000 0.845 491 E CB -0.319 28.858 29.700 -0.870 0.000 0.782 491 E HN 0.095 nan 8.360 nan 0.000 0.491 492 N N -0.411 118.268 118.700 -0.036 0.000 2.639 492 N HA 0.079 4.822 4.740 0.005 0.000 0.265 492 N C 0.167 175.694 175.510 0.029 0.000 1.689 492 N CA -0.021 53.057 53.050 0.046 0.000 0.813 492 N CB 0.056 38.616 38.487 0.122 0.000 1.353 492 N HN -0.066 nan 8.380 nan 0.000 0.510 493 M N 0.300 119.889 119.600 -0.019 0.000 2.082 493 M HA -0.049 4.434 4.480 0.005 0.000 0.258 493 M C 0.189 176.309 176.300 -0.299 0.000 1.069 493 M CA 2.035 57.217 55.300 -0.197 0.000 1.102 493 M CB -0.309 32.099 32.600 -0.320 0.000 1.336 493 M HN 0.362 nan 8.290 nan 0.000 0.404 494 Y N -0.617 119.698 120.300 0.025 0.000 2.468 494 Y HA 0.449 5.002 4.550 0.005 0.000 0.268 494 Y C 1.486 177.413 175.900 0.045 0.000 1.177 494 Y CA 0.082 58.201 58.100 0.031 0.000 1.265 494 Y CB -0.346 38.129 38.460 0.025 0.000 1.103 494 Y HN 0.446 nan 8.280 nan 0.000 0.522 495 G N 1.389 110.280 108.800 0.152 0.000 2.168 495 G HA2 -0.387 3.576 3.960 0.005 0.000 0.257 495 G HA3 -0.387 3.576 3.960 0.005 0.000 0.257 495 G C 0.988 175.981 174.900 0.156 0.000 0.997 495 G CA 0.768 45.947 45.100 0.132 0.000 0.708 495 G HN 0.571 nan 8.290 nan 0.000 0.520 496 N N 0.020 118.826 118.700 0.176 0.000 2.325 496 N HA 0.379 5.122 4.740 0.005 0.000 0.182 496 N C 1.079 176.722 175.510 0.222 0.000 1.088 496 N CA 0.739 53.903 53.050 0.189 0.000 0.879 496 N CB -0.023 38.556 38.487 0.153 0.000 0.983 496 N HN 1.004 nan 8.380 nan 0.000 0.471 497 A N 0.981 123.907 122.820 0.176 0.000 2.511 497 A HA 0.428 4.751 4.320 0.005 0.000 0.242 497 A C -0.405 177.350 177.584 0.285 0.000 1.069 497 A CA -0.211 51.911 52.037 0.143 0.000 0.763 497 A CB -0.520 18.552 19.000 0.118 0.000 1.001 497 A HN 0.482 nan 8.150 nan 0.000 0.498 498 F N 0.607 120.644 119.950 0.145 0.000 2.668 498 F HA 0.772 5.302 4.527 0.005 0.000 0.309 498 F C -1.026 174.903 175.800 0.215 0.000 1.117 498 F CA -1.475 56.621 58.000 0.161 0.000 0.951 498 F CB 0.954 39.983 39.000 0.049 0.000 1.323 498 F HN 0.773 nan 8.300 nan 0.000 0.451 499 Y N -0.688 119.773 120.300 0.268 0.000 2.689 499 Y HA 0.769 5.322 4.550 0.006 0.000 0.333 499 Y C -1.371 174.633 175.900 0.173 0.000 1.190 499 Y CA -1.754 56.423 58.100 0.129 0.000 1.063 499 Y CB 1.080 39.571 38.460 0.051 0.000 1.294 499 Y HN 0.808 nan 8.280 nan 0.000 0.466 500 S N 1.060 116.828 115.700 0.114 0.000 2.422 500 S HA 0.229 4.702 4.470 0.005 0.000 0.308 500 S C -0.828 173.803 174.600 0.052 0.000 1.097 500 S CA -0.619 57.575 58.200 -0.009 0.000 1.099 500 S CB 0.033 63.262 63.200 0.047 0.000 0.976 500 S HN 0.720 nan 8.310 nan 0.000 0.471 501 E N 4.364 124.497 120.200 -0.111 0.000 2.180 501 E HA 0.160 4.513 4.350 0.005 0.000 0.283 501 E C -0.451 176.157 176.600 0.014 0.000 1.061 501 E CA -0.326 56.111 56.400 0.063 0.000 0.861 501 E CB 0.449 30.158 29.700 0.014 0.000 1.056 501 E HN 0.518 nan 8.360 nan 0.000 0.407 502 K N 3.842 124.259 120.400 0.029 0.000 2.263 502 K HA 0.199 4.522 4.320 0.005 0.000 0.272 502 K C -1.168 175.427 176.600 -0.010 0.000 1.033 502 K CA -0.393 55.875 56.287 -0.032 0.000 0.884 502 K CB 1.130 33.578 32.500 -0.087 0.000 1.107 502 K HN 0.352 nan 8.250 nan 0.000 0.460 503 T N 3.525 118.071 114.554 -0.013 0.000 2.832 503 T HA 0.129 4.482 4.350 0.005 0.000 0.313 503 T C -0.433 174.240 174.700 -0.044 0.000 1.035 503 T CA -0.378 61.744 62.100 0.036 0.000 0.950 503 T CB 0.953 69.896 68.868 0.126 0.000 0.984 503 T HN 0.481 nan 8.240 nan 0.000 0.486 504 T N 4.601 119.168 114.554 0.022 0.000 2.870 504 T HA 0.266 4.619 4.350 0.005 0.000 0.300 504 T C 0.129 174.920 174.700 0.152 0.000 0.989 504 T CA -0.240 61.890 62.100 0.050 0.000 1.139 504 T CB -0.109 68.879 68.868 0.201 0.000 0.920 504 T HN 0.258 nan 8.240 nan 0.000 0.537 505 F N 3.212 123.291 119.950 0.214 0.000 2.472 505 F HA 0.288 4.817 4.527 0.004 0.000 0.364 505 F C 1.471 177.342 175.800 0.119 0.000 1.090 505 F CA -1.080 57.012 58.000 0.154 0.000 1.188 505 F CB 0.342 39.434 39.000 0.154 0.000 1.105 505 F HN 0.561 nan 8.300 nan 0.000 0.536 506 K N 0.736 121.306 120.400 0.283 0.000 2.099 506 K HA 0.050 4.373 4.320 0.005 0.000 0.203 506 K C 0.804 177.488 176.600 0.140 0.000 1.047 506 K CA 1.061 57.453 56.287 0.175 0.000 0.963 506 K CB 0.140 32.720 32.500 0.134 0.000 0.759 506 K HN 0.706 nan 8.250 nan 0.000 0.451 507 T N -2.762 111.866 114.554 0.124 0.000 2.926 507 T HA 0.243 4.596 4.350 0.005 0.000 0.289 507 T C 1.309 176.035 174.700 0.042 0.000 1.054 507 T CA -0.933 61.213 62.100 0.076 0.000 1.015 507 T CB 1.752 70.650 68.868 0.051 0.000 1.167 507 T HN -0.215 nan 8.240 nan 0.000 0.526 508 V N 1.365 121.291 119.914 0.019 0.000 2.278 508 V HA -0.212 3.911 4.120 0.005 0.000 0.251 508 V C 2.872 178.906 176.094 -0.099 0.000 1.062 508 V CA 2.515 64.799 62.300 -0.025 0.000 1.038 508 V CB -0.921 30.901 31.823 -0.002 0.000 0.646 508 V HN 1.051 nan 8.190 nan 0.000 0.447 509 K N -0.177 120.181 120.400 -0.071 0.000 2.113 509 K HA -0.266 4.058 4.320 0.005 0.000 0.208 509 K C 1.801 178.314 176.600 -0.146 0.000 1.047 509 K CA 2.038 58.266 56.287 -0.099 0.000 0.928 509 K CB -0.292 32.181 32.500 -0.044 0.000 0.716 509 K HN 0.507 nan 8.250 nan 0.000 0.446 510 D N 0.041 120.376 120.400 -0.108 0.000 2.182 510 D HA -0.131 4.512 4.640 0.005 0.000 0.201 510 D C 1.895 177.883 176.300 -0.519 0.000 0.986 510 D CA 1.587 55.522 54.000 -0.108 0.000 0.847 510 D CB -0.096 40.776 40.800 0.119 0.000 0.942 510 D HN 0.385 nan 8.370 nan 0.000 0.467 511 S N -0.136 115.087 115.700 -0.795 0.000 2.527 511 S HA -0.004 4.469 4.470 0.005 0.000 0.222 511 S C 1.167 175.297 174.600 -0.783 0.000 0.985 511 S CA -0.153 57.145 58.200 -1.503 0.000 0.921 511 S CB -0.351 62.349 63.200 -0.834 0.000 0.772 511 S HN 0.145 nan 8.310 nan 0.000 0.529 512 L N 3.755 124.668 121.223 -0.517 0.000 2.462 512 L HA 0.329 4.672 4.340 0.005 0.000 0.283 512 L C 0.086 176.798 176.870 -0.263 0.000 1.166 512 L CA -0.226 54.286 54.840 -0.546 0.000 0.964 512 L CB -0.566 40.992 42.059 -0.835 0.000 1.294 512 L HN 0.372 nan 8.230 nan 0.000 0.449 513 T N -1.136 113.430 114.554 0.019 0.000 2.903 513 T HA 0.518 4.872 4.350 0.005 0.000 0.299 513 T C -0.453 174.528 174.700 0.468 0.000 1.093 513 T CA -1.094 61.187 62.100 0.301 0.000 1.002 513 T CB 2.349 71.509 68.868 0.488 0.000 1.127 513 T HN 0.182 nan 8.240 nan 0.000 0.488 514 N N 0.257 119.244 118.700 0.477 0.000 2.404 514 N HA 0.358 5.101 4.740 0.005 0.000 0.297 514 N C -1.134 174.760 175.510 0.639 0.000 1.163 514 N CA -0.682 52.667 53.050 0.497 0.000 0.864 514 N CB 1.118 39.784 38.487 0.298 0.000 1.247 514 N HN 0.759 nan 8.380 nan 0.000 0.510 515 Y N 1.072 121.748 120.300 0.626 0.000 2.702 515 Y HA -0.027 4.526 4.550 0.006 0.000 0.336 515 Y C -0.165 175.867 175.900 0.221 0.000 1.235 515 Y CA 0.639 59.028 58.100 0.482 0.000 1.492 515 Y CB 0.439 39.191 38.460 0.486 0.000 1.308 515 Y HN 0.301 nan 8.280 nan 0.000 0.589 516 E N 3.747 123.439 120.200 -0.847 0.000 2.216 516 E HA 0.135 4.488 4.350 0.005 0.000 0.260 516 E C 0.477 176.548 176.600 -0.882 0.000 0.880 516 E CA 0.036 56.063 56.400 -0.621 0.000 0.765 516 E CB 1.623 31.144 29.700 -0.298 0.000 1.174 516 E HN 0.789 nan 8.360 nan 0.000 0.417 517 S N 1.766 117.128 115.700 -0.563 0.000 2.399 517 S HA -0.168 4.305 4.470 0.005 0.000 0.231 517 S C 1.872 176.368 174.600 -0.173 0.000 1.022 517 S CA 0.973 59.020 58.200 -0.255 0.000 0.983 517 S CB -0.099 63.103 63.200 0.003 0.000 0.803 517 S HN 0.485 nan 8.310 nan 0.000 0.480 518 A N 1.851 124.573 122.820 -0.164 0.000 2.024 518 A HA -0.022 4.301 4.320 0.005 0.000 0.220 518 A C 2.289 179.792 177.584 -0.136 0.000 1.164 518 A CA 1.854 53.821 52.037 -0.117 0.000 0.643 518 A CB -0.993 17.953 19.000 -0.090 0.000 0.806 518 A HN 0.808 nan 8.150 nan 0.000 0.451 519 T N -5.323 109.121 114.554 -0.182 0.000 3.091 519 T HA 0.433 4.786 4.350 0.005 0.000 0.277 519 T C 1.050 175.646 174.700 -0.172 0.000 0.996 519 T CA 0.854 62.848 62.100 -0.177 0.000 0.897 519 T CB -0.086 68.674 68.868 -0.179 0.000 1.109 519 T HN 1.617 nan 8.240 nan 0.000 0.534 520 G N 2.848 111.551 108.800 -0.161 0.000 2.412 520 G HA2 -0.345 3.618 3.960 0.005 0.000 0.297 520 G HA3 -0.345 3.618 3.960 0.005 0.000 0.297 520 G C 0.011 174.888 174.900 -0.040 0.000 0.965 520 G CA 0.326 45.400 45.100 -0.043 0.000 1.134 520 G HN 0.928 nan 8.290 nan 0.000 0.511 521 R N 0.107 120.481 120.500 -0.210 0.000 2.538 521 R HA 0.358 4.701 4.340 0.005 0.000 0.282 521 R C 0.926 177.087 176.300 -0.232 0.000 1.009 521 R CA 0.756 56.669 56.100 -0.311 0.000 1.063 521 R CB 0.253 30.233 30.300 -0.534 0.000 0.945 521 R HN 0.592 nan 8.270 nan 0.000 0.414 522 S N 3.991 119.507 115.700 -0.308 0.000 2.715 522 S HA 0.593 5.066 4.470 0.005 0.000 0.307 522 S C -1.060 173.373 174.600 -0.278 0.000 1.119 522 S CA -0.995 57.110 58.200 -0.159 0.000 0.937 522 S CB 1.376 64.592 63.200 0.028 0.000 1.150 522 S HN 0.627 nan 8.310 nan 0.000 0.521 523 W N 0.676 122.086 121.300 0.184 0.000 2.785 523 W HA 0.386 5.049 4.660 0.005 0.000 0.333 523 W C -1.351 175.262 176.519 0.158 0.000 1.062 523 W CA -0.494 56.992 57.345 0.234 0.000 1.233 523 W CB 2.039 31.770 29.460 0.451 0.000 1.413 523 W HN 0.622 nan 8.180 nan 0.000 0.489 524 D N 2.450 123.062 120.400 0.355 0.000 2.177 524 D HA 0.483 5.126 4.640 0.005 0.000 0.247 524 D C -0.231 176.313 176.300 0.406 0.000 1.063 524 D CA -0.218 53.968 54.000 0.310 0.000 0.867 524 D CB 1.979 42.911 40.800 0.220 0.000 1.168 524 D HN 0.093 nan 8.370 nan 0.000 0.445 525 I N 3.089 123.843 120.570 0.307 0.000 2.362 525 I HA 0.420 4.593 4.170 0.005 0.000 0.289 525 I C -0.537 175.787 176.117 0.344 0.000 0.994 525 I CA -0.918 60.533 61.300 0.251 0.000 1.158 525 I CB 0.464 38.506 38.000 0.069 0.000 1.315 525 I HN 0.230 nan 8.210 nan 0.000 0.451 526 F N 3.335 123.364 119.950 0.132 0.000 2.664 526 F HA 0.521 5.051 4.527 0.004 0.000 0.317 526 F C -1.035 174.824 175.800 0.098 0.000 1.108 526 F CA -1.277 56.794 58.000 0.119 0.000 0.957 526 F CB 1.538 40.588 39.000 0.084 0.000 1.365 526 F HN 0.298 nan 8.300 nan 0.000 0.475 527 N N 2.322 121.168 118.700 0.243 0.000 2.558 527 N HA 0.399 5.142 4.740 0.005 0.000 0.242 527 N C -2.084 173.537 175.510 0.185 0.000 0.979 527 N CA -2.164 50.946 53.050 0.101 0.000 0.931 527 N CB 1.396 39.935 38.487 0.086 0.000 1.122 527 N HN 0.393 nan 8.380 nan 0.000 0.508 528 P HA -0.043 nan 4.420 nan 0.000 0.242 528 P C -0.146 177.220 177.300 0.109 0.000 1.197 528 P CA 0.758 63.990 63.100 0.221 0.000 0.765 528 P CB 0.295 32.096 31.700 0.169 0.000 0.936 529 N N -0.096 118.641 118.700 0.062 0.000 2.353 529 N HA 0.057 4.800 4.740 0.005 0.000 0.185 529 N C 0.547 176.068 175.510 0.019 0.000 1.098 529 N CA 0.506 53.575 53.050 0.032 0.000 0.872 529 N CB 0.539 39.034 38.487 0.013 0.000 0.970 529 N HN 0.347 nan 8.380 nan 0.000 0.467 530 K N 0.278 120.694 120.400 0.027 0.000 2.400 530 K HA 0.631 4.954 4.320 0.005 0.000 0.246 530 K C -1.035 175.564 176.600 -0.001 0.000 0.995 530 K CA -0.705 55.580 56.287 -0.004 0.000 0.840 530 K CB 3.087 35.566 32.500 -0.035 0.000 1.293 530 K HN -0.323 nan 8.250 nan 0.000 0.445 531 V N 1.384 121.280 119.914 -0.029 0.000 2.733 531 V HA 0.186 4.309 4.120 0.005 0.000 0.306 531 V C -0.661 175.402 176.094 -0.051 0.000 1.084 531 V CA -1.155 61.127 62.300 -0.030 0.000 0.905 531 V CB 1.812 33.622 31.823 -0.021 0.000 1.010 531 V HN 0.750 nan 8.190 nan 0.000 0.424 532 N N 6.476 125.153 118.700 -0.038 0.000 2.452 532 N HA 0.133 4.876 4.740 0.005 0.000 0.266 532 N C -1.469 174.022 175.510 -0.032 0.000 1.209 532 N CA -1.123 51.903 53.050 -0.040 0.000 0.929 532 N CB 2.017 40.531 38.487 0.045 0.000 1.063 532 N HN 0.376 nan 8.380 nan 0.000 0.472 533 P HA -0.093 nan 4.420 nan 0.000 0.223 533 P C 0.557 177.912 177.300 0.091 0.000 1.151 533 P CA 1.121 64.184 63.100 -0.061 0.000 0.787 533 P CB 0.168 31.773 31.700 -0.159 0.000 0.788 534 Y N 1.217 121.523 120.300 0.011 0.000 2.190 534 Y HA -0.031 4.522 4.550 0.005 0.000 0.290 534 Y C 2.905 178.820 175.900 0.026 0.000 1.115 534 Y CA 1.047 59.156 58.100 0.015 0.000 1.107 534 Y CB -1.508 36.962 38.460 0.016 0.000 1.033 534 Y HN 0.053 nan 8.280 nan 0.000 0.502 535 S N -0.981 114.859 115.700 0.235 0.000 2.461 535 S HA 0.164 4.638 4.470 0.005 0.000 0.228 535 S C 1.924 176.565 174.600 0.068 0.000 1.005 535 S CA 0.765 59.068 58.200 0.173 0.000 0.942 535 S CB -0.424 62.974 63.200 0.330 0.000 0.776 535 S HN 0.680 nan 8.310 nan 0.000 0.514 536 G N 0.955 109.781 108.800 0.045 0.000 2.184 536 G HA2 -0.219 3.744 3.960 0.005 0.000 0.264 536 G HA3 -0.219 3.744 3.960 0.005 0.000 0.264 536 G C -0.008 174.854 174.900 -0.064 0.000 0.975 536 G CA 0.444 45.540 45.100 -0.007 0.000 0.642 536 G HN 0.530 nan 8.290 nan 0.000 0.536 537 K N 0.898 121.226 120.400 -0.120 0.000 2.095 537 K HA 0.546 4.870 4.320 0.005 0.000 0.252 537 K C -2.276 174.234 176.600 -0.150 0.000 0.977 537 K CA -2.335 53.800 56.287 -0.252 0.000 0.900 537 K CB 1.365 33.459 32.500 -0.678 0.000 1.060 537 K HN 0.130 nan 8.250 nan 0.000 0.449 538 P HA 0.135 nan 4.420 nan 0.000 0.272 538 P C -2.491 174.844 177.300 0.057 0.000 1.223 538 P CA -1.291 61.813 63.100 0.008 0.000 0.784 538 P CB -0.353 31.427 31.700 0.135 0.000 0.923 539 P HA 0.044 nan 4.420 nan 0.000 0.268 539 P C -0.299 177.173 177.300 0.286 0.000 1.205 539 P CA 0.400 63.573 63.100 0.122 0.000 0.771 539 P CB 0.487 32.139 31.700 -0.079 0.000 0.858 540 S N 1.965 117.866 115.700 0.335 0.000 2.579 540 S HA 0.575 5.048 4.470 0.005 0.000 0.272 540 S C -1.612 173.146 174.600 0.262 0.000 1.141 540 S CA -0.687 57.718 58.200 0.341 0.000 0.843 540 S CB 1.030 64.387 63.200 0.261 0.000 1.122 540 S HN 0.246 nan 8.310 nan 0.000 0.468 541 Y N 1.101 121.459 120.300 0.096 0.000 2.352 541 Y HA 0.577 5.130 4.550 0.005 0.000 0.339 541 Y C 0.294 176.237 175.900 0.071 0.000 0.992 541 Y CA -0.522 57.591 58.100 0.021 0.000 1.100 541 Y CB 1.809 40.242 38.460 -0.046 0.000 1.192 541 Y HN 0.806 nan 8.280 nan 0.000 0.458 542 K N 4.370 124.833 120.400 0.105 0.000 2.213 542 K HA 0.412 4.735 4.320 0.005 0.000 0.270 542 K C -1.345 175.320 176.600 0.109 0.000 1.002 542 K CA -0.921 55.435 56.287 0.115 0.000 0.868 542 K CB 0.793 33.338 32.500 0.075 0.000 1.093 542 K HN 0.628 nan 8.250 nan 0.000 0.454 543 L N 5.889 127.189 121.223 0.128 0.000 2.369 543 L HA 0.205 4.548 4.340 0.005 0.000 0.279 543 L C -1.276 175.697 176.870 0.173 0.000 1.108 543 L CA 0.077 54.969 54.840 0.087 0.000 0.852 543 L CB 0.997 43.071 42.059 0.025 0.000 1.169 543 L HN 0.354 nan 8.230 nan 0.000 0.452 544 V N 5.050 125.014 119.914 0.084 0.000 2.313 544 V HA 0.581 4.704 4.120 0.005 0.000 0.278 544 V C -0.014 176.104 176.094 0.041 0.000 1.017 544 V CA -0.231 62.118 62.300 0.082 0.000 0.823 544 V CB 0.865 32.713 31.823 0.042 0.000 1.010 544 V HN 0.843 nan 8.190 nan 0.000 0.443 545 S N 2.891 118.640 115.700 0.082 0.000 2.649 545 S HA 0.470 4.943 4.470 0.005 0.000 0.274 545 S C 0.438 174.976 174.600 -0.104 0.000 1.176 545 S CA 0.216 58.446 58.200 0.050 0.000 0.988 545 S CB 1.799 65.096 63.200 0.163 0.000 1.071 545 S HN 0.924 nan 8.310 nan 0.000 0.478 546 T N 1.355 115.779 114.554 -0.216 0.000 3.004 546 T HA 0.301 4.654 4.350 0.005 0.000 0.266 546 T C 0.332 174.901 174.700 -0.220 0.000 0.986 546 T CA -0.086 61.681 62.100 -0.554 0.000 0.902 546 T CB -0.094 68.537 68.868 -0.394 0.000 1.118 546 T HN 0.559 nan 8.240 nan 0.000 0.522 547 Q N 1.086 120.877 119.800 -0.015 0.000 2.844 547 Q HA 0.365 4.708 4.340 0.005 0.000 0.235 547 Q C -0.931 175.179 176.000 0.183 0.000 1.336 547 Q CA -0.471 55.390 55.803 0.096 0.000 1.026 547 Q CB -0.282 28.532 28.738 0.127 0.000 1.513 547 Q HN 0.454 nan 8.270 nan 0.000 0.577 548 C N 2.930 122.332 119.300 0.169 0.000 3.003 548 C HA 0.349 4.812 4.460 0.005 0.000 0.241 548 C C -2.169 172.954 174.990 0.221 0.000 1.224 548 C CA -1.821 57.339 59.018 0.236 0.000 1.560 548 C CB -0.462 27.490 27.740 0.354 0.000 1.768 548 C HN 0.548 nan 8.230 nan 0.000 0.440 549 P HA 0.256 nan 4.420 nan 0.000 0.275 549 P C -2.167 175.190 177.300 0.096 0.000 1.228 549 P CA -0.700 62.473 63.100 0.122 0.000 0.786 549 P CB 0.104 31.850 31.700 0.076 0.000 0.927 550 P HA 0.059 nan 4.420 nan 0.000 0.272 550 P C -0.582 176.708 177.300 -0.016 0.000 1.223 550 P CA -0.330 62.791 63.100 0.035 0.000 0.784 550 P CB 0.529 32.251 31.700 0.037 0.000 0.923 551 L N 2.829 124.009 121.223 -0.072 0.000 2.418 551 L HA 0.050 4.393 4.340 0.005 0.000 0.274 551 L C 1.151 177.966 176.870 -0.091 0.000 1.135 551 L CA 0.378 55.148 54.840 -0.115 0.000 0.870 551 L CB -0.440 41.505 42.059 -0.189 0.000 1.154 551 L HN 0.325 nan 8.230 nan 0.000 0.462 552 L N 4.802 125.979 121.223 -0.076 0.000 2.209 552 L HA 0.179 4.522 4.340 0.005 0.000 0.207 552 L C 1.403 178.232 176.870 -0.068 0.000 1.094 552 L CA 0.427 55.240 54.840 -0.045 0.000 0.790 552 L CB -0.482 41.571 42.059 -0.012 0.000 0.932 552 L HN 0.831 nan 8.230 nan 0.000 0.447 553 A N 0.909 123.665 122.820 -0.106 0.000 2.531 553 A HA 0.091 4.414 4.320 0.005 0.000 0.236 553 A C 0.251 177.758 177.584 -0.129 0.000 1.062 553 A CA 0.080 52.039 52.037 -0.130 0.000 0.760 553 A CB -0.015 18.882 19.000 -0.172 0.000 0.995 553 A HN 0.175 nan 8.150 nan 0.000 0.501 554 K N 1.307 121.635 120.400 -0.119 0.000 2.219 554 K HA 0.176 4.500 4.320 0.005 0.000 0.258 554 K C 0.058 176.583 176.600 -0.125 0.000 1.008 554 K CA -0.074 56.150 56.287 -0.105 0.000 0.928 554 K CB 0.470 32.919 32.500 -0.086 0.000 0.983 554 K HN 0.784 nan 8.250 nan 0.000 0.484 555 E N 0.148 120.282 120.200 -0.111 0.000 2.452 555 E HA -0.043 4.310 4.350 0.005 0.000 0.261 555 E C 0.809 177.338 176.600 -0.117 0.000 0.987 555 E CA 0.802 57.132 56.400 -0.116 0.000 0.926 555 E CB 0.250 29.896 29.700 -0.090 0.000 0.934 555 E HN 0.829 nan 8.360 nan 0.000 0.452 556 G N 2.612 111.330 108.800 -0.137 0.000 2.179 556 G HA2 -0.349 3.614 3.960 0.005 0.000 0.260 556 G HA3 -0.349 3.614 3.960 0.005 0.000 0.260 556 G C 0.392 175.195 174.900 -0.161 0.000 0.977 556 G CA 0.395 45.411 45.100 -0.140 0.000 0.641 556 G HN 0.692 nan 8.290 nan 0.000 0.533 557 S N -0.119 115.476 115.700 -0.175 0.000 2.593 557 S HA 0.547 5.020 4.470 0.005 0.000 0.269 557 S C 1.538 175.986 174.600 -0.252 0.000 1.334 557 S CA 0.110 58.194 58.200 -0.193 0.000 1.015 557 S CB 1.611 64.695 63.200 -0.193 0.000 0.912 557 S HN 1.063 nan 8.310 nan 0.000 0.541 558 L N 2.585 123.650 121.223 -0.262 0.000 2.043 558 L HA -0.085 4.258 4.340 0.005 0.000 0.212 558 L C 2.367 178.966 176.870 -0.451 0.000 1.075 558 L CA 1.701 56.339 54.840 -0.336 0.000 0.752 558 L CB -1.151 40.755 42.059 -0.255 0.000 0.891 558 L HN 0.729 nan 8.230 nan 0.000 0.432 559 V N -0.058 119.562 119.914 -0.490 0.000 2.255 559 V HA -0.320 3.803 4.120 0.005 0.000 0.247 559 V C 2.779 178.654 176.094 -0.366 0.000 1.051 559 V CA 1.832 63.854 62.300 -0.464 0.000 1.018 559 V CB -1.396 30.207 31.823 -0.366 0.000 0.641 559 V HN 0.622 nan 8.190 nan 0.000 0.445 560 A N -0.485 122.141 122.820 -0.324 0.000 1.933 560 A HA -0.222 4.102 4.320 0.005 0.000 0.218 560 A C 2.271 179.665 177.584 -0.318 0.000 1.175 560 A CA 1.916 53.768 52.037 -0.308 0.000 0.628 560 A CB -0.401 18.451 19.000 -0.248 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.659 119.536 120.400 -0.341 0.000 2.057 561 K HA -0.044 4.279 4.320 0.005 0.000 0.206 561 K C 2.146 178.444 176.600 -0.504 0.000 1.050 561 K CA 1.285 57.333 56.287 -0.399 0.000 0.935 561 K CB -0.129 32.099 32.500 -0.454 0.000 0.715 561 K HN 0.357 nan 8.250 nan 0.000 0.439 562 R N -0.013 120.203 120.500 -0.474 0.000 2.236 562 R HA 0.086 4.429 4.340 0.005 0.000 0.208 562 R C 0.406 176.672 176.300 -0.056 0.000 1.036 562 R CA 0.621 56.507 56.100 -0.356 0.000 1.001 562 R CB 0.388 30.573 30.300 -0.191 0.000 0.896 562 R HN 0.008 nan 8.270 nan 0.000 0.464 563 A N 1.372 124.040 122.820 -0.254 0.000 3.204 563 A HA 0.297 4.620 4.320 0.005 0.000 0.327 563 A C -2.041 175.121 177.584 -0.704 0.000 0.998 563 A CA -1.242 50.472 52.037 -0.537 0.000 0.891 563 A CB 0.561 19.075 19.000 -0.810 0.000 1.061 563 A HN -0.076 nan 8.150 nan 0.000 0.478 564 P HA -0.174 nan 4.420 nan 0.000 0.219 564 P C 1.461 178.660 177.300 -0.169 0.000 1.146 564 P CA 1.124 64.103 63.100 -0.201 0.000 0.808 564 P CB -0.223 31.441 31.700 -0.061 0.000 0.779 565 W N 0.228 121.482 121.300 -0.078 0.000 2.425 565 W HA 0.190 4.853 4.660 0.005 0.000 0.277 565 W C 1.558 178.074 176.519 -0.006 0.000 1.231 565 W CA 0.672 57.986 57.345 -0.051 0.000 1.248 565 W CB -1.763 27.648 29.460 -0.082 0.000 1.117 565 W HN -0.085 nan 8.180 nan 0.000 0.568 566 A N 1.613 123.988 122.820 -0.741 0.000 2.119 566 A HA -0.093 4.230 4.320 0.005 0.000 0.216 566 A C 2.128 179.531 177.584 -0.301 0.000 1.152 566 A CA 1.618 53.265 52.037 -0.650 0.000 0.708 566 A CB -0.889 17.424 19.000 -1.145 0.000 0.805 566 A HN 0.326 nan 8.150 nan 0.000 0.460 567 S N -0.946 114.586 115.700 -0.280 0.000 2.561 567 S HA 0.070 4.543 4.470 0.005 0.000 0.225 567 S C 0.318 174.640 174.600 -0.464 0.000 0.977 567 S CA 0.082 58.082 58.200 -0.335 0.000 0.926 567 S CB -0.374 62.608 63.200 -0.364 0.000 0.769 567 S HN 0.664 nan 8.310 nan 0.000 0.533 568 H N -0.274 118.792 119.070 -0.007 0.000 2.690 568 H HA 0.532 5.091 4.556 0.005 0.000 0.368 568 H C 0.561 175.938 175.328 0.083 0.000 1.150 568 H CA -0.466 55.610 56.048 0.046 0.000 1.174 568 H CB 1.811 31.588 29.762 0.024 0.000 1.684 568 H HN -0.045 nan 8.280 nan 0.000 0.538 569 S N 0.726 116.575 115.700 0.247 0.000 2.399 569 S HA 0.001 4.474 4.470 0.005 0.000 0.231 569 S C 0.462 175.111 174.600 0.082 0.000 1.022 569 S CA 0.665 58.982 58.200 0.195 0.000 0.983 569 S CB 0.258 63.672 63.200 0.355 0.000 0.803 569 S HN 0.260 nan 8.310 nan 0.000 0.480 570 V N 2.458 122.373 119.914 0.001 0.000 2.686 570 V HA 0.409 4.532 4.120 0.005 0.000 0.306 570 V C -1.154 174.822 176.094 -0.197 0.000 1.065 570 V CA -0.954 61.182 62.300 -0.272 0.000 0.894 570 V CB 2.097 33.502 31.823 -0.697 0.000 1.004 570 V HN 0.257 nan 8.190 nan 0.000 0.424 571 N N 3.255 121.834 118.700 -0.202 0.000 2.410 571 N HA 0.591 5.334 4.740 0.005 0.000 0.287 571 N C -1.485 173.958 175.510 -0.112 0.000 1.044 571 N CA -0.346 52.633 53.050 -0.119 0.000 0.881 571 N CB 2.833 41.345 38.487 0.042 0.000 1.405 571 N HN 0.333 nan 8.380 nan 0.000 0.490 572 V N 1.972 121.812 119.914 -0.124 0.000 2.487 572 V HA 0.543 4.666 4.120 0.005 0.000 0.298 572 V C 0.173 176.313 176.094 0.077 0.000 1.028 572 V CA -0.755 61.549 62.300 0.008 0.000 0.860 572 V CB 1.682 33.539 31.823 0.057 0.000 0.991 572 V HN 0.500 nan 8.190 nan 0.000 0.427 573 V N 3.148 123.151 119.914 0.149 0.000 3.102 573 V HA 0.786 4.909 4.120 0.005 0.000 0.312 573 V C -2.963 173.187 176.094 0.093 0.000 1.135 573 V CA -3.033 59.340 62.300 0.121 0.000 1.022 573 V CB 2.222 34.143 31.823 0.163 0.000 1.056 573 V HN 0.624 nan 8.190 nan 0.000 0.436 574 P HA 0.157 nan 4.420 nan 0.000 0.269 574 P C -1.142 176.149 177.300 -0.014 0.000 1.209 574 P CA 0.213 63.337 63.100 0.042 0.000 0.776 574 P CB 0.021 31.735 31.700 0.022 0.000 0.876 575 Y N 3.314 123.577 120.300 -0.061 0.000 2.526 575 Y HA 0.190 4.743 4.550 0.005 0.000 0.330 575 Y C 0.157 175.978 175.900 -0.132 0.000 1.156 575 Y CA 0.815 58.850 58.100 -0.109 0.000 1.419 575 Y CB 0.306 38.717 38.460 -0.082 0.000 1.250 575 Y HN 0.250 nan 8.280 nan 0.000 0.540 576 K N 3.984 123.735 120.400 -1.081 0.000 2.482 576 K HA 0.278 4.601 4.320 0.005 0.000 0.257 576 K C -1.394 174.484 176.600 -1.205 0.000 0.969 576 K CA -0.833 54.939 56.287 -0.859 0.000 0.842 576 K CB 1.182 33.412 32.500 -0.450 0.000 1.359 576 K HN 0.574 nan 8.250 nan 0.000 0.441 577 D N 1.343 121.400 120.400 -0.570 0.000 2.423 577 D HA -0.022 4.621 4.640 0.005 0.000 0.238 577 D C 0.237 176.337 176.300 -0.332 0.000 1.142 577 D CA 0.781 54.594 54.000 -0.312 0.000 0.884 577 D CB 0.447 41.215 40.800 -0.053 0.000 1.199 577 D HN 0.604 nan 8.370 nan 0.000 0.438 578 N N 0.737 119.271 118.700 -0.276 0.000 2.747 578 N HA -0.232 4.511 4.740 0.005 0.000 0.249 578 N C -0.801 174.510 175.510 -0.331 0.000 1.107 578 N CA 0.443 53.329 53.050 -0.273 0.000 0.707 578 N CB -0.689 37.677 38.487 -0.202 0.000 1.054 578 N HN 0.336 nan 8.380 nan 0.000 0.555 579 R N 0.564 120.754 120.500 -0.517 0.000 3.570 579 R HA 0.261 4.604 4.340 0.005 0.000 0.233 579 R C 0.974 176.939 176.300 -0.559 0.000 1.492 579 R CA -0.232 55.394 56.100 -0.790 0.000 1.504 579 R CB 0.188 29.652 30.300 -1.394 0.000 1.314 579 R HN 0.335 nan 8.270 nan 0.000 0.687 580 L N 0.325 121.326 121.223 -0.369 0.000 2.269 580 L HA 0.170 4.513 4.340 0.005 0.000 0.200 580 L C -0.112 176.650 176.870 -0.179 0.000 1.069 580 L CA 0.618 55.150 54.840 -0.514 0.000 0.804 580 L CB 0.213 41.497 42.059 -1.293 0.000 0.987 580 L HN 0.314 nan 8.230 nan 0.000 0.468 581 Y N 0.750 121.222 120.300 0.287 0.000 2.388 581 Y HA 0.296 4.849 4.550 0.005 0.000 0.328 581 Y C -1.709 174.188 175.900 -0.006 0.000 0.963 581 Y CA -3.361 54.795 58.100 0.093 0.000 1.240 581 Y CB 0.239 38.667 38.460 -0.052 0.000 1.118 581 Y HN -0.072 nan 8.280 nan 0.000 0.484 582 P HA -0.010 nan 4.420 nan 0.000 0.237 582 P C 0.536 177.715 177.300 -0.202 0.000 1.178 582 P CA 0.740 63.570 63.100 -0.451 0.000 0.766 582 P CB 0.584 31.954 31.700 -0.551 0.000 0.876 583 S N -0.620 115.080 115.700 -0.000 0.000 2.582 583 S HA 0.476 4.949 4.470 0.005 0.000 0.234 583 S C 0.868 175.389 174.600 -0.133 0.000 0.961 583 S CA 0.321 58.605 58.200 0.140 0.000 0.953 583 S CB -0.259 63.159 63.200 0.364 0.000 0.800 583 S HN 0.489 nan 8.310 nan 0.000 0.471 584 G N 1.414 110.061 108.800 -0.254 0.000 2.663 584 G HA2 -0.151 3.813 3.960 0.005 0.000 0.686 584 G HA3 -0.151 3.813 3.960 0.005 0.000 0.686 584 G C -0.380 174.417 174.900 -0.172 0.000 1.288 584 G CA -0.441 44.460 45.100 -0.331 0.000 0.836 584 G HN 0.205 nan 8.290 nan 0.000 0.584 585 D N -0.026 120.257 120.400 -0.194 0.000 2.183 585 D HA 0.038 4.682 4.640 0.005 0.000 0.203 585 D C 0.847 176.826 176.300 -0.535 0.000 0.969 585 D CA 1.446 55.278 54.000 -0.281 0.000 0.842 585 D CB 0.007 40.615 40.800 -0.320 0.000 0.957 585 D HN 0.488 nan 8.370 nan 0.000 0.484 586 H N 0.087 119.125 119.070 -0.053 0.000 2.887 586 H HA 0.256 4.815 4.556 0.005 0.000 0.300 586 H C 0.807 176.115 175.328 -0.034 0.000 1.038 586 H CA -0.302 55.730 56.048 -0.026 0.000 1.352 586 H CB 1.680 31.437 29.762 -0.009 0.000 1.473 586 H HN -0.210 nan 8.280 nan 0.000 0.503 587 V N 3.904 123.856 119.914 0.063 0.000 2.426 587 V HA 0.008 4.131 4.120 0.005 0.000 0.242 587 V C -1.669 174.524 176.094 0.164 0.000 1.036 587 V CA 0.410 62.768 62.300 0.098 0.000 1.044 587 V CB -0.822 31.026 31.823 0.042 0.000 0.688 587 V HN 0.450 nan 8.190 nan 0.000 0.462 588 P HA 0.061 nan 4.420 nan 0.000 0.262 588 P C 0.241 177.655 177.300 0.191 0.000 1.182 588 P CA 0.799 63.961 63.100 0.103 0.000 0.761 588 P CB 0.157 31.883 31.700 0.043 0.000 0.795 589 Q N -1.590 118.356 119.800 0.243 0.000 2.324 589 Q HA -0.232 4.111 4.340 0.005 0.000 0.200 589 Q C -0.257 176.011 176.000 0.448 0.000 0.645 589 Q CA 0.526 56.538 55.803 0.349 0.000 1.377 589 Q CB -1.888 26.996 28.738 0.243 0.000 1.486 589 Q HN 0.524 nan 8.270 nan 0.000 0.796 590 W N 2.271 123.651 121.300 0.132 0.000 2.308 590 W HA 0.218 4.880 4.660 0.005 0.000 0.324 590 W C 1.292 177.703 176.519 -0.179 0.000 1.387 590 W CA 0.303 57.660 57.345 0.021 0.000 1.250 590 W CB 0.490 29.946 29.460 -0.007 0.000 1.257 590 W HN 0.160 nan 8.180 nan 0.000 0.554 591 S N 3.659 118.930 115.700 -0.716 0.000 2.474 591 S HA 0.068 4.541 4.470 0.005 0.000 0.235 591 S C 1.639 175.430 174.600 -1.348 0.000 0.997 591 S CA 0.843 58.180 58.200 -1.439 0.000 0.949 591 S CB -0.450 62.166 63.200 -0.973 0.000 0.766 591 S HN 1.700 nan 8.310 nan 0.000 0.517 592 G N 0.734 108.232 108.800 -2.169 0.000 2.175 592 G HA2 -0.185 3.778 3.960 0.005 0.000 0.244 592 G HA3 -0.185 3.778 3.960 0.005 0.000 0.244 592 G C -0.450 173.785 174.900 -1.108 0.000 0.982 592 G CA 0.124 43.950 45.100 -2.123 0.000 0.641 592 G HN 0.583 nan 8.290 nan 0.000 0.527 593 D N 1.198 121.188 120.400 -0.684 0.000 2.277 593 D HA 0.550 5.193 4.640 0.005 0.000 0.249 593 D C 0.738 177.171 176.300 0.221 0.000 1.134 593 D CA 1.457 55.362 54.000 -0.159 0.000 0.863 593 D CB 1.291 42.017 40.800 -0.124 0.000 1.143 593 D HN 1.357 nan 8.370 nan 0.000 0.458 594 G N 0.269 109.189 108.800 0.201 0.000 2.406 594 G HA2 -0.071 3.892 3.960 0.005 0.000 0.680 594 G HA3 -0.071 3.892 3.960 0.005 0.000 0.680 594 G C -1.025 173.979 174.900 0.174 0.000 1.338 594 G CA -1.003 44.224 45.100 0.211 0.000 0.941 594 G HN 0.325 nan 8.290 nan 0.000 0.633 595 V N 2.144 122.094 119.914 0.059 0.000 2.299 595 V HA 0.634 4.757 4.120 0.005 0.000 0.255 595 V C 0.778 176.823 176.094 -0.081 0.000 1.100 595 V CA 0.516 62.814 62.300 -0.004 0.000 0.938 595 V CB -0.315 31.504 31.823 -0.007 0.000 1.139 595 V HN 1.025 nan 8.190 nan 0.000 0.490 596 R N 2.675 123.076 120.500 -0.165 0.000 2.781 596 R HA 0.838 5.181 4.340 0.005 0.000 0.269 596 R C 0.463 176.461 176.300 -0.503 0.000 1.025 596 R CA -0.129 55.773 56.100 -0.331 0.000 0.914 596 R CB 1.205 31.221 30.300 -0.475 0.000 1.236 596 R HN 0.775 nan 8.270 nan 0.000 0.465 597 G N 1.194 109.584 108.800 -0.683 0.000 2.594 597 G HA2 -0.435 3.529 3.960 0.005 0.000 0.297 597 G HA3 -0.435 3.529 3.960 0.005 0.000 0.297 597 G C 0.558 174.379 174.900 -1.798 0.000 1.273 597 G CA 0.867 45.269 45.100 -1.164 0.000 0.974 597 G HN 0.783 nan 8.290 nan 0.000 0.552 598 M N 0.430 119.218 119.600 -1.354 0.000 2.202 598 M HA -0.017 4.466 4.480 0.005 0.000 0.262 598 M C 2.397 178.439 176.300 -0.430 0.000 1.063 598 M CA 2.805 57.599 55.300 -0.843 0.000 1.097 598 M CB -0.514 31.872 32.600 -0.357 0.000 1.382 598 M HN 0.620 nan 8.290 nan 0.000 0.413 599 R N -0.427 119.878 120.500 -0.325 0.000 2.096 599 R HA -0.183 4.160 4.340 0.005 0.000 0.235 599 R C 2.245 178.458 176.300 -0.146 0.000 1.127 599 R CA 1.916 57.923 56.100 -0.154 0.000 0.968 599 R CB -0.356 29.907 30.300 -0.061 0.000 0.861 599 R HN 0.658 nan 8.270 nan 0.000 0.440 600 E N -0.454 119.598 120.200 -0.247 0.000 2.047 600 E HA -0.193 4.160 4.350 0.005 0.000 0.191 600 E C 1.431 178.056 176.600 0.042 0.000 0.987 600 E CA 1.290 57.621 56.400 -0.116 0.000 0.799 600 E CB -0.076 29.545 29.700 -0.131 0.000 0.752 600 E HN 0.417 nan 8.360 nan 0.000 0.449 601 W N 0.502 121.755 121.300 -0.079 0.000 2.402 601 W HA -0.031 4.632 4.660 0.005 0.000 0.286 601 W C 2.084 178.566 176.519 -0.061 0.000 1.221 601 W CA 0.221 57.517 57.345 -0.083 0.000 1.257 601 W CB -0.872 28.515 29.460 -0.121 0.000 1.120 601 W HN 0.171 nan 8.180 nan 0.000 0.551 602 I N 0.038 120.676 120.570 0.114 0.000 2.252 602 I HA -0.081 4.092 4.170 0.005 0.000 0.245 602 I C 2.152 178.289 176.117 0.034 0.000 1.102 602 I CA 1.417 62.745 61.300 0.048 0.000 1.385 602 I CB -1.078 36.919 38.000 -0.005 0.000 1.064 602 I HN 0.084 nan 8.210 nan 0.000 0.414 603 G N 2.240 111.056 108.800 0.026 0.000 2.611 603 G HA2 -0.429 3.534 3.960 0.005 0.000 0.301 603 G HA3 -0.429 3.534 3.960 0.005 0.000 0.301 603 G C 0.508 175.414 174.900 0.009 0.000 1.233 603 G CA 0.679 45.792 45.100 0.021 0.000 0.993 603 G HN 0.532 nan 8.290 nan 0.000 0.553 604 D N 1.302 121.709 120.400 0.012 0.000 2.328 604 D HA 0.379 5.022 4.640 0.005 0.000 0.226 604 D C 1.791 178.093 176.300 0.004 0.000 1.066 604 D CA 1.183 55.187 54.000 0.007 0.000 0.861 604 D CB -0.395 40.411 40.800 0.009 0.000 0.912 604 D HN 2.194 nan 8.370 nan 0.000 0.521 605 G N 0.251 109.054 108.800 0.004 0.000 2.179 605 G HA2 -0.365 3.598 3.960 0.005 0.000 0.260 605 G HA3 -0.365 3.598 3.960 0.005 0.000 0.260 605 G C 1.128 176.031 174.900 0.006 0.000 0.977 605 G CA 0.829 45.926 45.100 -0.005 0.000 0.641 605 G HN 0.716 nan 8.290 nan 0.000 0.533 606 S N -0.500 115.209 115.700 0.015 0.000 2.524 606 S HA 0.320 4.793 4.470 0.005 0.000 0.216 606 S C 0.646 175.264 174.600 0.029 0.000 0.987 606 S CA 0.703 58.916 58.200 0.022 0.000 0.909 606 S CB 0.367 63.579 63.200 0.021 0.000 0.781 606 S HN 0.615 nan 8.310 nan 0.000 0.521 607 E N 2.362 122.581 120.200 0.031 0.000 2.383 607 E HA 0.188 4.541 4.350 0.005 0.000 0.264 607 E C -0.286 176.341 176.600 0.046 0.000 1.050 607 E CA -0.407 56.014 56.400 0.037 0.000 0.896 607 E CB 0.285 30.008 29.700 0.037 0.000 0.982 607 E HN 0.408 nan 8.360 nan 0.000 0.424 608 N N 2.387 121.116 118.700 0.047 0.000 2.492 608 N HA 0.004 4.747 4.740 0.005 0.000 0.262 608 N C 0.014 175.563 175.510 0.066 0.000 1.202 608 N CA 0.263 53.347 53.050 0.057 0.000 0.926 608 N CB 0.380 38.897 38.487 0.049 0.000 1.078 608 N HN 0.540 nan 8.380 nan 0.000 0.454 609 I N -1.748 118.873 120.570 0.086 0.000 4.102 609 I HA 0.423 4.596 4.170 0.005 0.000 0.325 609 I C -0.386 175.786 176.117 0.091 0.000 1.471 609 I CA -0.524 60.836 61.300 0.099 0.000 1.133 609 I CB 0.289 38.368 38.000 0.132 0.000 1.184 609 I HN 0.253 nan 8.210 nan 0.000 0.451 610 D N 2.614 123.058 120.400 0.073 0.000 2.274 610 D HA 0.187 4.830 4.640 0.005 0.000 0.239 610 D C 0.240 176.547 176.300 0.011 0.000 1.104 610 D CA 0.103 54.129 54.000 0.044 0.000 0.840 610 D CB 0.579 41.424 40.800 0.074 0.000 1.100 610 D HN 0.256 nan 8.370 nan 0.000 0.477 611 N N 2.439 121.115 118.700 -0.041 0.000 2.681 611 N HA -0.214 4.530 4.740 0.005 0.000 0.259 611 N C -1.393 174.110 175.510 -0.011 0.000 1.066 611 N CA 1.201 54.229 53.050 -0.037 0.000 0.717 611 N CB -0.975 37.506 38.487 -0.009 0.000 0.885 611 N HN 0.525 nan 8.380 nan 0.000 0.547 612 T N -0.771 113.778 114.554 -0.009 0.000 2.648 612 T HA 0.318 4.671 4.350 0.005 0.000 0.304 612 T C -1.895 172.811 174.700 0.010 0.000 1.312 612 T CA -0.572 61.533 62.100 0.009 0.000 1.023 612 T CB 0.721 69.606 68.868 0.028 0.000 1.612 612 T HN 0.064 nan 8.240 nan 0.000 0.487 613 D N 2.412 122.826 120.400 0.023 0.000 2.316 613 D HA 0.459 5.102 4.640 0.005 0.000 0.245 613 D C 0.193 176.554 176.300 0.101 0.000 1.171 613 D CA 0.035 54.049 54.000 0.024 0.000 0.856 613 D CB 0.427 41.221 40.800 -0.010 0.000 1.090 613 D HN 0.616 nan 8.370 nan 0.000 0.476 614 I N -1.678 118.952 120.570 0.100 0.000 3.067 614 I HA 0.611 4.785 4.170 0.005 0.000 0.312 614 I C -1.107 175.107 176.117 0.162 0.000 1.073 614 I CA -1.148 60.235 61.300 0.139 0.000 1.016 614 I CB 1.897 39.982 38.000 0.141 0.000 1.227 614 I HN 0.013 nan 8.210 nan 0.000 0.456 615 L N 2.841 124.166 121.223 0.170 0.000 2.385 615 L HA 0.496 4.839 4.340 0.005 0.000 0.273 615 L C -1.460 175.542 176.870 0.219 0.000 0.990 615 L CA -0.468 54.453 54.840 0.135 0.000 0.821 615 L CB 2.327 44.469 42.059 0.138 0.000 1.279 615 L HN 0.537 nan 8.230 nan 0.000 0.412 616 F N 3.609 123.516 119.950 -0.072 0.000 2.403 616 F HA 0.553 5.083 4.527 0.005 0.000 0.355 616 F C -1.126 174.611 175.800 -0.106 0.000 1.119 616 F CA -0.659 57.347 58.000 0.010 0.000 1.007 616 F CB 0.769 39.761 39.000 -0.012 0.000 1.194 616 F HN 0.106 nan 8.300 nan 0.000 0.443 617 F N 5.322 125.304 119.950 0.053 0.000 2.411 617 F HA 0.305 4.835 4.527 0.005 0.000 0.352 617 F C -0.337 175.535 175.800 0.121 0.000 1.123 617 F CA -0.665 57.409 58.000 0.123 0.000 1.044 617 F CB 0.941 40.006 39.000 0.109 0.000 1.135 617 F HN 0.444 nan 8.300 nan 0.000 0.461 618 H N 1.481 120.715 119.070 0.274 0.000 2.481 618 H HA 0.466 5.025 4.556 0.005 0.000 0.333 618 H C -0.892 174.659 175.328 0.372 0.000 1.066 618 H CA -0.617 55.570 56.048 0.231 0.000 1.209 618 H CB 1.246 31.161 29.762 0.254 0.000 1.445 618 H HN 0.507 nan 8.280 nan 0.000 0.488 619 T N 7.470 122.014 114.554 -0.016 0.000 2.744 619 T HA 0.414 4.767 4.350 0.005 0.000 0.291 619 T C -0.828 173.810 174.700 -0.104 0.000 0.957 619 T CA -0.300 61.863 62.100 0.104 0.000 1.002 619 T CB -0.346 68.672 68.868 0.250 0.000 0.919 619 T HN 0.488 nan 8.240 nan 0.000 0.468 620 F N 0.356 120.241 119.950 -0.107 0.000 2.692 620 F HA 0.965 5.495 4.527 0.005 0.000 0.320 620 F C 0.168 176.111 175.800 0.238 0.000 1.123 620 F CA -0.830 57.149 58.000 -0.035 0.000 0.961 620 F CB 1.082 40.017 39.000 -0.110 0.000 1.383 620 F HN 0.872 nan 8.300 nan 0.000 0.483 621 G N 0.365 109.275 108.800 0.182 0.000 2.334 621 G HA2 0.434 4.397 3.960 0.005 0.000 0.249 621 G HA3 0.434 4.397 3.960 0.005 0.000 0.249 621 G C -1.971 173.046 174.900 0.195 0.000 1.327 621 G CA -0.283 44.946 45.100 0.215 0.000 0.979 621 G HN 1.558 nan 8.290 nan 0.000 0.471 622 I N -3.049 117.631 120.570 0.183 0.000 3.174 622 I HA 0.866 5.039 4.170 0.005 0.000 0.313 622 I C -0.606 175.544 176.117 0.055 0.000 1.155 622 I CA -1.049 60.318 61.300 0.112 0.000 0.977 622 I CB 2.276 40.323 38.000 0.078 0.000 1.248 622 I HN 0.469 nan 8.210 nan 0.000 0.453 623 T N 1.065 115.610 114.554 -0.015 0.000 2.772 623 T HA 0.324 4.678 4.350 0.005 0.000 0.288 623 T C -0.970 173.570 174.700 -0.267 0.000 0.994 623 T CA -0.141 61.850 62.100 -0.182 0.000 0.951 623 T CB 0.018 68.785 68.868 -0.168 0.000 0.933 623 T HN 0.637 nan 8.240 nan 0.000 0.447 624 H N 3.038 121.766 119.070 -0.571 0.000 2.597 624 H HA 0.400 4.959 4.556 0.005 0.000 0.303 624 H C -1.065 173.858 175.328 -0.674 0.000 1.057 624 H CA -1.084 54.653 56.048 -0.519 0.000 1.261 624 H CB 0.284 29.690 29.762 -0.593 0.000 1.397 624 H HN 0.429 nan 8.280 nan 0.000 0.461 625 F N 6.874 126.905 119.950 0.135 0.000 2.303 625 F HA 0.273 4.803 4.527 0.005 0.000 0.368 625 F C -1.936 173.928 175.800 0.106 0.000 1.105 625 F CA -2.465 55.569 58.000 0.058 0.000 1.153 625 F CB 0.660 39.694 39.000 0.056 0.000 1.362 625 F HN 0.529 nan 8.300 nan 0.000 0.511 626 P HA 0.250 nan 4.420 nan 0.000 0.267 626 P C -0.636 176.761 177.300 0.162 0.000 1.201 626 P CA 0.007 63.158 63.100 0.086 0.000 0.775 626 P CB 0.840 32.528 31.700 -0.020 0.000 0.854 627 A N 3.597 126.523 122.820 0.178 0.000 2.532 627 A HA 0.623 4.946 4.320 0.005 0.000 0.290 627 A C -2.104 175.561 177.584 0.135 0.000 1.143 627 A CA -1.444 50.672 52.037 0.133 0.000 0.728 627 A CB 0.655 19.730 19.000 0.125 0.000 1.317 627 A HN 0.245 nan 8.150 nan 0.000 0.414 628 P HA -0.128 nan 4.420 nan 0.000 0.219 628 P C 0.738 178.140 177.300 0.170 0.000 1.146 628 P CA 1.440 64.630 63.100 0.149 0.000 0.808 628 P CB 0.249 32.020 31.700 0.118 0.000 0.779 629 E N -0.482 119.794 120.200 0.127 0.000 2.219 629 E HA -0.178 4.175 4.350 0.005 0.000 0.198 629 E C 1.332 177.998 176.600 0.110 0.000 0.998 629 E CA 1.140 57.601 56.400 0.101 0.000 0.818 629 E CB -0.757 28.987 29.700 0.074 0.000 0.741 629 E HN 0.333 nan 8.360 nan 0.000 0.477 630 D N -1.063 119.434 120.400 0.161 0.000 2.363 630 D HA -0.009 4.634 4.640 0.005 0.000 0.220 630 D C -0.285 176.138 176.300 0.205 0.000 0.994 630 D CA 0.417 54.522 54.000 0.176 0.000 0.890 630 D CB 0.111 41.072 40.800 0.268 0.000 0.906 630 D HN 0.062 nan 8.370 nan 0.000 0.530 631 F N 0.894 120.862 119.950 0.031 0.000 2.546 631 F HA 0.319 4.849 4.527 0.005 0.000 0.320 631 F C -1.731 174.077 175.800 0.014 0.000 1.076 631 F CA -2.354 55.657 58.000 0.017 0.000 0.928 631 F CB 2.128 41.153 39.000 0.043 0.000 1.189 631 F HN -0.307 nan 8.300 nan 0.000 0.465 632 P HA 0.064 nan 4.420 nan 0.000 0.241 632 P C -0.280 176.655 177.300 -0.609 0.000 1.191 632 P CA 0.975 63.290 63.100 -1.309 0.000 0.771 632 P CB 1.107 32.294 31.700 -0.855 0.000 0.929 636 A N 1.098 123.861 122.820 -0.096 0.000 2.567 636 A HA 0.310 4.633 4.320 0.005 0.000 0.240 636 A C 0.209 177.734 177.584 -0.099 0.000 1.053 636 A CA 0.557 52.534 52.037 -0.100 0.000 0.755 636 A CB 0.010 18.964 19.000 -0.076 0.000 0.978 636 A HN 0.550 nan 8.150 nan 0.000 0.507 637 E N 3.756 123.882 120.200 -0.124 0.000 2.145 637 E HA 0.467 4.821 4.350 0.005 0.000 0.270 637 E C -2.662 173.879 176.600 -0.099 0.000 0.906 637 E CA -2.277 54.050 56.400 -0.121 0.000 0.761 637 E CB 1.556 31.148 29.700 -0.180 0.000 1.116 637 E HN 0.481 nan 8.360 nan 0.000 0.408 638 P HA 0.331 nan 4.420 nan 0.000 0.288 638 P C -0.715 176.559 177.300 -0.043 0.000 1.267 638 P CA -0.226 62.837 63.100 -0.061 0.000 0.815 638 P CB 1.163 32.824 31.700 -0.064 0.000 0.989 639 I N 0.799 121.347 120.570 -0.038 0.000 2.647 639 I HA 0.587 4.760 4.170 0.005 0.000 0.295 639 I C 0.088 176.180 176.117 -0.042 0.000 1.078 639 I CA -0.515 60.784 61.300 -0.001 0.000 1.048 639 I CB 2.609 40.632 38.000 0.037 0.000 1.239 639 I HN 0.260 nan 8.210 nan 0.000 0.421 640 T N 5.517 120.040 114.554 -0.052 0.000 2.889 640 T HA 0.794 5.147 4.350 0.005 0.000 0.315 640 T C -1.778 172.810 174.700 -0.187 0.000 1.291 640 T CA -0.482 61.535 62.100 -0.139 0.000 1.028 640 T CB 1.499 70.299 68.868 -0.114 0.000 1.235 640 T HN 0.522 nan 8.240 nan 0.000 0.491 641 L N 1.129 122.186 121.223 -0.276 0.000 2.469 641 L HA 0.931 5.274 4.340 0.005 0.000 0.256 641 L C -1.071 175.681 176.870 -0.196 0.000 1.006 641 L CA -1.015 53.676 54.840 -0.247 0.000 0.832 641 L CB 2.195 44.016 42.059 -0.396 0.000 1.421 641 L HN 0.794 nan 8.230 nan 0.000 0.410 642 M N 2.070 121.598 119.600 -0.121 0.000 2.501 642 M HA 0.698 5.181 4.480 0.005 0.000 0.293 642 M C -2.137 174.148 176.300 -0.024 0.000 1.192 642 M CA -0.580 54.675 55.300 -0.074 0.000 0.886 642 M CB 2.400 34.975 32.600 -0.042 0.000 1.710 642 M HN 0.732 nan 8.290 nan 0.000 0.457 643 L N 4.354 125.600 121.223 0.038 0.000 2.316 643 L HA 0.580 4.923 4.340 0.005 0.000 0.280 643 L C -0.774 176.226 176.870 0.216 0.000 1.006 643 L CA -0.444 54.496 54.840 0.168 0.000 0.836 643 L CB 1.568 43.799 42.059 0.287 0.000 1.221 643 L HN 0.675 nan 8.230 nan 0.000 0.418 644 R N 4.241 124.769 120.500 0.045 0.000 2.514 644 R HA 0.456 4.800 4.340 0.005 0.000 0.301 644 R C -2.559 173.404 176.300 -0.562 0.000 0.962 644 R CA -1.924 54.085 56.100 -0.151 0.000 0.882 644 R CB 1.591 31.843 30.300 -0.080 0.000 1.143 644 R HN 0.259 nan 8.270 nan 0.000 0.452 645 P HA 0.081 nan 4.420 nan 0.000 0.271 645 P C -0.923 176.165 177.300 -0.353 0.000 1.226 645 P CA -0.116 62.362 63.100 -1.037 0.000 0.765 645 P CB 0.801 32.069 31.700 -0.720 0.000 0.835 646 R N 3.261 123.633 120.500 -0.213 0.000 2.483 646 R HA 0.267 4.610 4.340 0.005 0.000 0.303 646 R C 0.661 176.974 176.300 0.021 0.000 0.987 646 R CA -0.692 55.338 56.100 -0.117 0.000 0.881 646 R CB 0.256 30.545 30.300 -0.019 0.000 1.177 646 R HN 0.656 nan 8.270 nan 0.000 0.451 647 H N 0.905 119.986 119.070 0.019 0.000 3.395 647 H HA -0.234 4.326 4.556 0.006 0.000 0.222 647 H C 0.770 176.090 175.328 -0.013 0.000 1.099 647 H CA 1.268 57.323 56.048 0.011 0.000 1.182 647 H CB -1.187 28.572 29.762 -0.005 0.000 1.188 647 H HN 0.537 nan 8.280 nan 0.000 0.317 648 F N 0.679 120.543 119.950 -0.143 0.000 2.118 648 F HA 0.113 4.643 4.527 0.005 0.000 0.293 648 F C 1.097 176.621 175.800 -0.461 0.000 1.102 648 F CA 0.843 58.636 58.000 -0.346 0.000 1.247 648 F CB 0.154 38.810 39.000 -0.574 0.000 1.017 648 F HN -0.064 nan 8.300 nan 0.000 0.475 649 F N -0.158 119.848 119.950 0.093 0.000 2.408 649 F HA 0.235 4.765 4.527 0.006 0.000 0.325 649 F C 1.711 177.478 175.800 -0.056 0.000 1.082 649 F CA -0.151 57.844 58.000 -0.008 0.000 1.032 649 F CB 0.640 39.642 39.000 0.004 0.000 1.259 649 F HN -0.185 nan 8.300 nan 0.000 0.503 650 T N -2.979 111.644 114.554 0.116 0.000 3.081 650 T HA 0.195 4.549 4.350 0.005 0.000 0.250 650 T C -0.042 174.742 174.700 0.140 0.000 1.100 650 T CA 0.361 62.450 62.100 -0.019 0.000 1.038 650 T CB -0.577 68.080 68.868 -0.352 0.000 0.962 650 T HN 0.738 nan 8.240 nan 0.000 0.516 651 E N 0.141 120.421 120.200 0.133 0.000 2.429 651 E HA 0.287 4.640 4.350 0.005 0.000 0.280 651 E C -1.354 175.240 176.600 -0.010 0.000 1.068 651 E CA -1.216 55.227 56.400 0.072 0.000 0.837 651 E CB 0.066 29.804 29.700 0.062 0.000 1.357 651 E HN -0.108 nan 8.360 nan 0.000 0.455 652 N N 2.084 120.735 118.700 -0.082 0.000 2.332 652 N HA -0.018 4.725 4.740 0.005 0.000 0.274 652 N C -1.376 174.016 175.510 -0.196 0.000 1.351 652 N CA -1.116 51.840 53.050 -0.156 0.000 0.875 652 N CB 0.655 38.999 38.487 -0.238 0.000 1.140 652 N HN 0.385 nan 8.380 nan 0.000 0.489 653 P HA 0.053 nan 4.420 nan 0.000 0.237 653 P C 0.762 177.962 177.300 -0.167 0.000 1.178 653 P CA 0.573 63.399 63.100 -0.457 0.000 0.766 653 P CB 0.082 31.039 31.700 -1.239 0.000 0.876 654 G N -0.330 108.449 108.800 -0.035 0.000 3.189 654 G HA2 0.061 4.024 3.960 0.005 0.000 0.225 654 G HA3 0.061 4.024 3.960 0.005 0.000 0.225 654 G C 1.252 176.309 174.900 0.262 0.000 1.159 654 G CA -0.160 45.031 45.100 0.151 0.000 0.763 654 G HN 0.184 nan 8.290 nan 0.000 0.549 655 L N 1.079 122.358 121.223 0.094 0.000 2.362 655 L HA 0.006 4.350 4.340 0.005 0.000 0.219 655 L C 1.972 178.912 176.870 0.116 0.000 1.134 655 L CA 0.981 55.863 54.840 0.070 0.000 0.807 655 L CB -0.028 41.977 42.059 -0.091 0.000 0.927 655 L HN 0.260 nan 8.230 nan 0.000 0.447 656 D N -0.152 120.313 120.400 0.108 0.000 2.328 656 D HA 0.016 4.659 4.640 0.005 0.000 0.226 656 D C 0.654 176.995 176.300 0.069 0.000 1.066 656 D CA -0.011 54.044 54.000 0.091 0.000 0.861 656 D CB -0.164 40.713 40.800 0.129 0.000 0.912 656 D HN 0.213 nan 8.370 nan 0.000 0.521 657 I N 1.575 122.198 120.570 0.089 0.000 2.441 657 I HA -0.005 4.168 4.170 0.005 0.000 0.287 657 I C 0.740 176.888 176.117 0.052 0.000 1.049 657 I CA -0.550 60.778 61.300 0.046 0.000 1.381 657 I CB 0.785 38.799 38.000 0.024 0.000 1.409 657 I HN -0.231 nan 8.210 nan 0.000 0.523 658 Q N 7.144 126.957 119.800 0.022 0.000 2.247 658 Q HA 0.126 4.469 4.340 0.005 0.000 0.288 658 Q C -2.105 173.907 176.000 0.020 0.000 1.079 658 Q CA -1.232 54.584 55.803 0.022 0.000 0.932 658 Q CB 0.152 28.896 28.738 0.010 0.000 1.133 658 Q HN 0.310 nan 8.270 nan 0.000 0.377 659 P HA 0.055 nan 4.420 nan 0.000 0.269 659 P C 0.310 177.628 177.300 0.029 0.000 1.215 659 P CA 0.007 63.127 63.100 0.033 0.000 0.780 659 P CB 0.708 32.440 31.700 0.053 0.000 0.898 660 S N -0.291 115.432 115.700 0.039 0.000 2.406 660 S HA -0.044 4.430 4.470 0.005 0.000 0.228 660 S C 0.138 174.833 174.600 0.159 0.000 1.020 660 S CA 1.133 59.375 58.200 0.071 0.000 0.965 660 S CB -0.451 62.781 63.200 0.052 0.000 0.798 660 S HN 0.601 nan 8.310 nan 0.000 0.488 661 Y N -0.094 120.213 120.300 0.011 0.000 2.442 661 Y HA 0.558 5.111 4.550 0.005 0.000 0.330 661 Y C -1.566 174.354 175.900 0.033 0.000 1.100 661 Y CA -1.178 56.933 58.100 0.019 0.000 1.034 661 Y CB 0.995 39.464 38.460 0.015 0.000 1.285 661 Y HN -0.056 nan 8.280 nan 0.000 0.440 662 A N 7.110 129.546 122.820 -0.640 0.000 2.429 662 A HA 0.735 5.058 4.320 0.005 0.000 0.289 662 A C -1.756 175.468 177.584 -0.599 0.000 1.043 662 A CA -0.583 51.192 52.037 -0.437 0.000 0.722 662 A CB 1.207 20.104 19.000 -0.172 0.000 1.243 662 A HN 0.838 nan 8.150 nan 0.000 0.415 663 M N 3.295 122.652 119.600 -0.405 0.000 2.267 663 M HA 0.522 5.005 4.480 0.005 0.000 0.289 663 M C 0.049 176.307 176.300 -0.071 0.000 1.043 663 M CA -0.175 54.996 55.300 -0.216 0.000 0.928 663 M CB 1.951 34.479 32.600 -0.119 0.000 1.613 663 M HN 0.887 nan 8.290 nan 0.000 0.450 664 T N 0.592 115.112 114.554 -0.055 0.000 2.847 664 T HA 0.329 4.682 4.350 0.005 0.000 0.279 664 T C 0.851 175.541 174.700 -0.017 0.000 0.984 664 T CA -0.218 61.866 62.100 -0.026 0.000 0.988 664 T CB 1.020 69.872 68.868 -0.028 0.000 1.040 664 T HN 0.738 nan 8.240 nan 0.000 0.528 665 T N 1.522 116.065 114.554 -0.017 0.000 2.684 665 T HA -0.161 4.192 4.350 0.005 0.000 0.267 665 T C 2.392 177.078 174.700 -0.022 0.000 1.036 665 T CA 2.049 64.135 62.100 -0.024 0.000 1.148 665 T CB -0.787 68.061 68.868 -0.034 0.000 0.863 665 T HN 0.887 nan 8.240 nan 0.000 0.436 666 S N 1.710 117.397 115.700 -0.021 0.000 2.368 666 S HA -0.125 4.348 4.470 0.005 0.000 0.225 666 S C 1.908 176.499 174.600 -0.016 0.000 1.030 666 S CA 1.168 59.357 58.200 -0.019 0.000 0.999 666 S CB -0.480 62.709 63.200 -0.019 0.000 0.844 666 S HN 0.577 nan 8.310 nan 0.000 0.459 667 E N 1.772 121.962 120.200 -0.017 0.000 2.077 667 E HA -0.028 4.326 4.350 0.005 0.000 0.193 667 E C 2.421 179.018 176.600 -0.004 0.000 0.989 667 E CA 1.032 57.423 56.400 -0.015 0.000 0.800 667 E CB -0.434 29.250 29.700 -0.027 0.000 0.746 667 E HN 0.720 nan 8.360 nan 0.000 0.452 668 A N 1.316 124.135 122.820 -0.001 0.000 1.972 668 A HA -0.207 4.116 4.320 0.005 0.000 0.219 668 A C 1.923 179.508 177.584 0.002 0.000 1.169 668 A CA 1.351 53.394 52.037 0.010 0.000 0.635 668 A CB -0.211 18.796 19.000 0.012 0.000 0.810 668 A HN 0.034 nan 8.150 nan 0.000 0.446 669 K N -0.727 119.668 120.400 -0.008 0.000 2.057 669 K HA -0.044 4.279 4.320 0.005 0.000 0.206 669 K C 2.190 178.786 176.600 -0.006 0.000 1.050 669 K CA 1.165 57.446 56.287 -0.010 0.000 0.935 669 K CB -0.142 32.349 32.500 -0.016 0.000 0.715 669 K HN 0.342 nan 8.250 nan 0.000 0.439 670 R N -0.024 120.473 120.500 -0.005 0.000 2.241 670 R HA -0.043 4.300 4.340 0.005 0.000 0.224 670 R C 0.867 177.168 176.300 0.002 0.000 1.101 670 R CA 0.968 57.066 56.100 -0.002 0.000 0.995 670 R CB 0.092 30.390 30.300 -0.004 0.000 0.870 670 R HN 0.063 nan 8.270 nan 0.000 0.463 671 A N 0.422 123.246 122.820 0.007 0.000 2.911 671 A HA 0.330 4.653 4.320 0.005 0.000 0.304 671 A C -0.086 177.505 177.584 0.012 0.000 1.144 671 A CA -0.518 51.526 52.037 0.013 0.000 0.988 671 A CB 0.140 19.153 19.000 0.023 0.000 1.141 671 A HN 0.055 nan 8.150 nan 0.000 0.552 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.123 4.120 0.005 0.000 0.244 672 V CA 0.000 62.302 62.300 0.003 0.000 1.235 672 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556