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 1upa_1_C DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGXTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP XSKYAVELQR PHEITDLVDS AVNAAXTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDX XXXXPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY XDGILNFPAL QTXFAPVDLV LTVGYDYAED LRPSXWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG XRVHQVIDSX NTVXEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQXA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DF 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.259 177.300 -0.068 0.000 1.155 12 P CA 0.000 63.026 63.100 -0.124 0.000 0.800 12 P CB 0.000 31.587 31.700 -0.189 0.000 0.726 13 T N 0.087 114.634 114.554 -0.011 0.000 2.940 13 T HA 0.653 5.003 4.350 0.000 0.000 0.288 13 T C 1.323 176.054 174.700 0.052 0.000 1.045 13 T CA 0.232 62.342 62.100 0.018 0.000 1.018 13 T CB 1.723 70.599 68.868 0.012 0.000 1.151 13 T HN 0.336 nan 8.240 nan 0.000 0.529 14 A N 0.798 123.647 122.820 0.048 0.000 2.024 14 A HA 0.083 4.403 4.320 0.000 0.000 0.220 14 A C 2.394 180.019 177.584 0.068 0.000 1.164 14 A CA 2.139 54.213 52.037 0.062 0.000 0.643 14 A CB -1.075 17.954 19.000 0.049 0.000 0.806 14 A HN 0.898 nan 8.150 nan 0.000 0.451 15 A N -0.739 122.104 122.820 0.039 0.000 1.883 15 A HA -0.225 4.095 4.320 0.000 0.000 0.217 15 A C 2.007 179.593 177.584 0.005 0.000 1.186 15 A CA 2.063 54.090 52.037 -0.016 0.000 0.624 15 A CB -0.950 17.983 19.000 -0.111 0.000 0.822 15 A HN 0.827 nan 8.150 nan 0.000 0.444 16 H N -0.578 118.463 119.070 -0.049 0.000 2.321 16 H HA 0.024 4.580 4.556 0.000 0.000 0.300 16 H C 2.197 177.525 175.328 0.001 0.000 1.087 16 H CA 1.804 57.833 56.048 -0.031 0.000 1.319 16 H CB -0.131 29.616 29.762 -0.025 0.000 1.379 16 H HN 0.419 nan 8.280 nan 0.000 0.501 17 A N 0.667 123.641 122.820 0.256 0.000 1.933 17 A HA -0.118 4.203 4.320 0.000 0.000 0.218 17 A C 2.330 179.988 177.584 0.123 0.000 1.175 17 A CA 1.457 53.612 52.037 0.197 0.000 0.628 17 A CB -0.759 18.322 19.000 0.135 0.000 0.814 17 A HN 0.516 nan 8.150 nan 0.000 0.444 18 L N -0.179 121.106 121.223 0.102 0.000 2.005 18 L HA -0.078 4.262 4.340 0.000 0.000 0.207 18 L C 2.252 179.183 176.870 0.101 0.000 1.072 18 L CA 1.811 56.717 54.840 0.110 0.000 0.744 18 L CB -0.657 41.485 42.059 0.139 0.000 0.895 18 L HN 0.375 nan 8.230 nan 0.000 0.433 19 L N -0.775 120.480 121.223 0.052 0.000 2.083 19 L HA -0.192 4.148 4.340 0.000 0.000 0.209 19 L C 2.750 179.617 176.870 -0.005 0.000 1.083 19 L CA 1.501 56.357 54.840 0.026 0.000 0.752 19 L CB -0.822 41.208 42.059 -0.049 0.000 0.899 19 L HN 0.473 nan 8.230 nan 0.000 0.433 20 S N -0.172 115.502 115.700 -0.043 0.000 2.382 20 S HA -0.212 4.258 4.470 0.000 0.000 0.228 20 S C 2.172 176.796 174.600 0.039 0.000 1.027 20 S CA 1.248 59.433 58.200 -0.025 0.000 0.991 20 S CB -0.067 63.151 63.200 0.029 0.000 0.823 20 S HN 0.246 nan 8.310 nan 0.000 0.469 21 R N 0.907 121.453 120.500 0.076 0.000 2.119 21 R HA 0.281 4.621 4.340 0.000 0.000 0.222 21 R C 2.177 178.576 176.300 0.165 0.000 1.088 21 R CA 1.057 57.221 56.100 0.107 0.000 0.984 21 R CB -0.884 29.496 30.300 0.133 0.000 0.884 21 R HN 0.484 nan 8.270 nan 0.000 0.447 22 L N -0.092 121.219 121.223 0.146 0.000 2.042 22 L HA -0.173 4.167 4.340 0.000 0.000 0.210 22 L C 2.532 179.476 176.870 0.123 0.000 1.076 22 L CA 1.877 56.809 54.840 0.153 0.000 0.749 22 L CB -0.432 41.707 42.059 0.133 0.000 0.893 22 L HN 0.174 nan 8.230 nan 0.000 0.432 23 R N 0.470 121.012 120.500 0.070 0.000 2.081 23 R HA -0.176 4.164 4.340 0.000 0.000 0.235 23 R C 1.813 178.126 176.300 0.021 0.000 1.131 23 R CA 1.744 57.866 56.100 0.037 0.000 0.960 23 R CB -0.291 30.013 30.300 0.007 0.000 0.856 23 R HN 0.279 nan 8.270 nan 0.000 0.436 24 D N -0.365 120.032 120.400 -0.005 0.000 2.218 24 D HA -0.158 4.482 4.640 0.000 0.000 0.204 24 D C 1.081 177.290 176.300 -0.152 0.000 0.976 24 D CA 1.112 55.059 54.000 -0.088 0.000 0.853 24 D CB -0.192 40.518 40.800 -0.150 0.000 0.939 24 D HN 0.457 nan 8.370 nan 0.000 0.481 25 H N -0.874 118.208 119.070 0.020 0.000 2.526 25 H HA 0.247 4.803 4.556 0.000 0.000 0.274 25 H C 1.453 176.793 175.328 0.019 0.000 0.999 25 H CA 0.804 56.863 56.048 0.018 0.000 1.157 25 H CB 0.720 30.494 29.762 0.019 0.000 1.407 25 H HN 0.216 nan 8.280 nan 0.000 0.568 26 G N 0.772 109.627 108.800 0.093 0.000 2.175 26 G HA2 -0.280 3.680 3.960 0.000 0.000 0.244 26 G HA3 -0.280 3.680 3.960 0.000 0.000 0.244 26 G C 0.315 175.251 174.900 0.060 0.000 0.982 26 G CA 0.267 45.405 45.100 0.062 0.000 0.641 26 G HN 0.207 nan 8.290 nan 0.000 0.527 27 V N 0.870 120.830 119.914 0.076 0.000 2.521 27 V HA 0.508 4.628 4.120 0.000 0.000 0.286 27 V C 1.592 177.704 176.094 0.030 0.000 1.034 27 V CA 1.297 63.633 62.300 0.060 0.000 1.045 27 V CB 1.325 33.196 31.823 0.079 0.000 0.974 27 V HN 0.665 nan 8.190 nan 0.000 0.480 28 G N 4.537 113.341 108.800 0.005 0.000 3.079 28 G HA2 0.198 4.158 3.960 0.000 0.000 0.233 28 G HA3 0.198 4.158 3.960 0.000 0.000 0.233 28 G C 0.405 175.257 174.900 -0.081 0.000 1.062 28 G CA -0.127 44.958 45.100 -0.025 0.000 0.809 28 G HN 0.502 nan 8.290 nan 0.000 0.535 29 K N 0.521 120.847 120.400 -0.123 0.000 2.464 29 K HA 0.596 4.916 4.320 0.000 0.000 0.253 29 K C -1.640 174.770 176.600 -0.317 0.000 0.933 29 K CA -0.608 55.486 56.287 -0.320 0.000 0.801 29 K CB 3.000 35.177 32.500 -0.539 0.000 1.271 29 K HN -0.124 nan 8.250 nan 0.000 0.430 30 V N 3.427 123.072 119.914 -0.448 0.000 2.407 30 V HA 0.426 4.546 4.120 0.000 0.000 0.291 30 V C -0.814 174.803 176.094 -0.796 0.000 1.018 30 V CA -0.837 61.247 62.300 -0.359 0.000 0.842 30 V CB 0.652 32.390 31.823 -0.142 0.000 0.996 30 V HN 0.531 nan 8.190 nan 0.000 0.426 31 F N 3.004 122.699 119.950 -0.426 0.000 2.394 31 F HA 0.864 5.391 4.527 0.000 0.000 0.340 31 F C 0.995 176.547 175.800 -0.414 0.000 1.105 31 F CA 0.337 58.042 58.000 -0.493 0.000 1.124 31 F CB 1.823 40.667 39.000 -0.260 0.000 1.145 31 F HN 0.714 nan 8.300 nan 0.000 0.505 32 G N 0.777 109.405 108.800 -0.286 0.000 2.317 32 G HA2 0.446 4.406 3.960 0.000 0.000 0.293 32 G HA3 0.446 4.406 3.960 0.000 0.000 0.293 32 G C -2.401 172.685 174.900 0.310 0.000 1.287 32 G CA -0.791 44.375 45.100 0.110 0.000 0.850 32 G HN 0.465 nan 8.290 nan 0.000 0.515 33 V N 0.356 120.520 119.914 0.416 0.000 2.483 33 V HA 0.571 4.691 4.120 0.000 0.000 0.297 33 V C 0.072 176.395 176.094 0.382 0.000 1.027 33 V CA -0.706 61.798 62.300 0.340 0.000 0.855 33 V CB 1.416 33.346 31.823 0.178 0.000 0.995 33 V HN 0.737 nan 8.190 nan 0.000 0.424 34 V N 4.251 124.291 119.914 0.210 0.000 2.546 34 V HA 0.723 4.844 4.120 0.000 0.000 0.284 34 V C 0.943 177.125 176.094 0.147 0.000 1.050 34 V CA 0.344 62.736 62.300 0.154 0.000 0.981 34 V CB 1.162 32.894 31.823 -0.151 0.000 0.990 34 V HN 0.962 nan 8.190 nan 0.000 0.474 35 G N 3.622 112.546 108.800 0.207 0.000 2.890 35 G HA2 0.337 4.297 3.960 0.000 0.000 0.189 35 G HA3 0.337 4.297 3.960 0.000 0.000 0.189 35 G C 0.794 175.764 174.900 0.117 0.000 1.342 35 G CA -0.316 44.867 45.100 0.139 0.000 1.026 35 G HN 0.757 nan 8.290 nan 0.000 0.579 36 R N -0.043 120.516 120.500 0.099 0.000 2.293 36 R HA -0.026 4.314 4.340 0.000 0.000 0.219 36 R C 1.601 177.949 176.300 0.080 0.000 1.091 36 R CA 1.721 57.868 56.100 0.077 0.000 1.004 36 R CB -0.248 30.096 30.300 0.073 0.000 0.865 36 R HN 0.554 nan 8.270 nan 0.000 0.469 37 E N 1.557 121.830 120.200 0.122 0.000 2.463 37 E HA -0.146 4.204 4.350 0.000 0.000 0.201 37 E C 1.478 178.121 176.600 0.073 0.000 1.045 37 E CA 1.096 57.577 56.400 0.134 0.000 0.872 37 E CB -0.058 29.798 29.700 0.259 0.000 0.797 37 E HN 0.501 nan 8.360 nan 0.000 0.538 38 A N 1.673 124.518 122.820 0.042 0.000 2.024 38 A HA -0.011 4.309 4.320 0.000 0.000 0.220 38 A C 2.471 180.026 177.584 -0.047 0.000 1.164 38 A CA 1.733 53.749 52.037 -0.035 0.000 0.643 38 A CB -0.597 18.385 19.000 -0.030 0.000 0.806 38 A HN 0.435 nan 8.150 nan 0.000 0.451 39 A N -1.038 121.774 122.820 -0.013 0.000 2.019 39 A HA -0.004 4.316 4.320 0.000 0.000 0.219 39 A C 2.269 179.838 177.584 -0.026 0.000 1.164 39 A CA 1.974 54.002 52.037 -0.014 0.000 0.644 39 A CB -0.376 18.628 19.000 0.007 0.000 0.805 39 A HN 0.443 nan 8.150 nan 0.000 0.449 40 S N -1.947 113.736 115.700 -0.028 0.000 2.497 40 S HA 0.380 4.850 4.470 0.000 0.000 0.218 40 S C 0.335 174.870 174.600 -0.109 0.000 1.023 40 S CA -0.003 58.175 58.200 -0.037 0.000 0.913 40 S CB 0.161 63.364 63.200 0.006 0.000 0.800 40 S HN 0.490 nan 8.310 nan 0.000 0.505 41 I N 1.129 121.580 120.570 -0.197 0.000 2.512 41 I HA 0.332 4.502 4.170 0.000 0.000 0.287 41 I C -0.157 175.652 176.117 -0.512 0.000 1.069 41 I CA -0.512 60.523 61.300 -0.443 0.000 1.056 41 I CB 1.401 38.977 38.000 -0.708 0.000 1.229 41 I HN 0.050 nan 8.210 nan 0.000 0.429 42 L N 6.898 127.863 121.223 -0.430 0.000 2.253 42 L HA 0.233 4.573 4.340 0.000 0.000 0.205 42 L C 0.258 177.016 176.870 -0.186 0.000 1.078 42 L CA 0.725 55.411 54.840 -0.255 0.000 0.805 42 L CB 0.068 42.040 42.059 -0.144 0.000 0.963 42 L HN 0.808 nan 8.230 nan 0.000 0.459 43 F N -0.246 119.561 119.950 -0.238 0.000 2.536 43 F HA -0.201 4.326 4.527 0.000 0.000 0.299 43 F C 0.640 176.367 175.800 -0.122 0.000 0.654 43 F CA 0.581 58.456 58.000 -0.208 0.000 1.632 43 F CB -1.833 37.001 39.000 -0.278 0.000 2.021 43 F HN 0.351 nan 8.300 nan 0.000 0.311 44 D N -1.012 119.379 120.400 -0.014 0.000 2.469 44 D HA 0.179 4.819 4.640 0.000 0.000 0.215 44 D C 1.240 177.514 176.300 -0.043 0.000 1.154 44 D CA 0.283 54.274 54.000 -0.015 0.000 0.832 44 D CB -0.021 40.770 40.800 -0.016 0.000 1.008 44 D HN 0.289 nan 8.370 nan 0.000 0.506 45 E N -0.167 119.982 120.200 -0.085 0.000 2.208 45 E HA 0.070 4.421 4.350 0.000 0.000 0.193 45 E C 0.095 176.604 176.600 -0.152 0.000 0.988 45 E CA 0.637 56.987 56.400 -0.085 0.000 0.828 45 E CB 0.451 30.086 29.700 -0.108 0.000 0.763 45 E HN 0.125 nan 8.360 nan 0.000 0.478 46 V N 1.090 120.903 119.914 -0.169 0.000 2.483 46 V HA 0.408 4.529 4.120 0.000 0.000 0.297 46 V C -0.137 175.909 176.094 -0.081 0.000 1.027 46 V CA -0.634 61.551 62.300 -0.192 0.000 0.855 46 V CB 1.134 32.804 31.823 -0.254 0.000 0.995 46 V HN 0.166 nan 8.190 nan 0.000 0.424 47 E N 2.174 122.342 120.200 -0.052 0.000 2.376 47 E HA 0.454 4.804 4.350 0.000 0.000 0.266 47 E C 1.338 177.924 176.600 -0.023 0.000 1.009 47 E CA 0.374 56.759 56.400 -0.025 0.000 0.902 47 E CB 0.511 30.204 29.700 -0.012 0.000 0.972 47 E HN 2.167 nan 8.360 nan 0.000 0.439 48 G N 1.216 110.006 108.800 -0.018 0.000 2.176 48 G HA2 -0.178 3.782 3.960 0.000 0.000 0.232 48 G HA3 -0.178 3.782 3.960 0.000 0.000 0.232 48 G C 0.289 175.178 174.900 -0.018 0.000 0.986 48 G CA 0.116 45.207 45.100 -0.016 0.000 0.643 48 G HN 0.763 nan 8.290 nan 0.000 0.522 49 I N 1.988 122.549 120.570 -0.016 0.000 2.418 49 I HA 0.336 4.506 4.170 0.000 0.000 0.287 49 I C -0.995 175.117 176.117 -0.008 0.000 1.008 49 I CA -0.619 60.674 61.300 -0.012 0.000 1.104 49 I CB 1.487 39.496 38.000 0.016 0.000 1.264 49 I HN 0.012 nan 8.210 nan 0.000 0.438 50 D N 6.008 126.376 120.400 -0.054 0.000 2.252 50 D HA 0.305 4.945 4.640 0.000 0.000 0.245 50 D C -0.758 175.471 176.300 -0.119 0.000 1.009 50 D CA -0.312 53.654 54.000 -0.057 0.000 0.870 50 D CB 2.777 43.523 40.800 -0.090 0.000 1.251 50 D HN 0.173 nan 8.370 nan 0.000 0.460 51 F N 1.249 121.055 119.950 -0.241 0.000 2.396 51 F HA 0.243 4.770 4.527 0.000 0.000 0.343 51 F C -0.248 175.356 175.800 -0.327 0.000 1.104 51 F CA -0.384 57.381 58.000 -0.392 0.000 1.161 51 F CB 0.976 39.673 39.000 -0.505 0.000 1.146 51 F HN -0.029 nan 8.300 nan 0.000 0.522 52 V N 7.775 127.130 119.914 -0.932 0.000 2.304 52 V HA 0.221 4.341 4.120 0.000 0.000 0.278 52 V C -0.585 175.205 176.094 -0.506 0.000 1.018 52 V CA -0.844 61.109 62.300 -0.579 0.000 0.814 52 V CB 1.002 32.397 31.823 -0.713 0.000 1.021 52 V HN 0.579 nan 8.190 nan 0.000 0.440 53 L N 6.567 127.742 121.223 -0.080 0.000 2.319 53 L HA 0.611 4.951 4.340 0.000 0.000 0.280 53 L C 0.733 177.639 176.870 0.060 0.000 1.099 53 L CA 0.876 55.791 54.840 0.125 0.000 0.828 53 L CB 1.241 43.436 42.059 0.225 0.000 1.150 53 L HN 0.862 nan 8.230 nan 0.000 0.442 54 T N 1.889 116.490 114.554 0.078 0.000 2.937 54 T HA 0.511 4.861 4.350 0.000 0.000 0.283 54 T C 1.010 175.768 174.700 0.096 0.000 1.012 54 T CA -0.766 61.380 62.100 0.077 0.000 0.997 54 T CB 1.204 70.115 68.868 0.071 0.000 1.136 54 T HN 0.512 nan 8.240 nan 0.000 0.551 55 R N -0.297 120.260 120.500 0.095 0.000 2.210 55 R HA 0.205 4.545 4.340 0.000 0.000 0.203 55 R C 0.452 176.846 176.300 0.156 0.000 1.010 55 R CA 0.585 56.748 56.100 0.105 0.000 1.008 55 R CB -0.598 29.752 30.300 0.084 0.000 0.923 55 R HN 0.766 nan 8.270 nan 0.000 0.469 56 H N -0.477 118.633 119.070 0.066 0.000 2.974 56 H HA 0.143 4.699 4.556 0.000 0.000 0.366 56 H C -0.128 175.264 175.328 0.106 0.000 1.155 56 H CA -0.241 55.860 56.048 0.089 0.000 1.186 56 H CB 1.890 31.710 29.762 0.098 0.000 1.799 56 H HN -0.211 nan 8.280 nan 0.000 0.541 57 E N 2.864 123.058 120.200 -0.010 0.000 2.153 57 E HA -0.128 4.223 4.350 0.000 0.000 0.194 57 E C 1.561 178.300 176.600 0.232 0.000 0.988 57 E CA 1.208 57.668 56.400 0.100 0.000 0.811 57 E CB -0.071 29.640 29.700 0.019 0.000 0.746 57 E HN 0.471 nan 8.360 nan 0.000 0.466 58 F N 1.468 121.619 119.950 0.336 0.000 2.091 58 F HA -0.276 4.251 4.527 0.000 0.000 0.299 58 F C 2.038 177.879 175.800 0.068 0.000 1.103 58 F CA 1.860 59.977 58.000 0.194 0.000 1.228 58 F CB -0.741 38.360 39.000 0.169 0.000 0.984 58 F HN -0.079 nan 8.300 nan 0.000 0.477 59 T N 0.841 115.352 114.554 -0.071 0.000 2.720 59 T HA -0.187 4.163 4.350 0.000 0.000 0.268 59 T C 2.225 176.764 174.700 -0.269 0.000 1.037 59 T CA 1.527 63.473 62.100 -0.256 0.000 1.144 59 T CB -0.902 67.937 68.868 -0.047 0.000 0.864 59 T HN 0.418 nan 8.240 nan 0.000 0.444 60 A N 1.388 124.141 122.820 -0.110 0.000 1.877 60 A HA 0.101 4.422 4.320 0.000 0.000 0.216 60 A C 2.650 180.112 177.584 -0.204 0.000 1.186 60 A CA 1.904 53.886 52.037 -0.091 0.000 0.620 60 A CB -1.391 17.640 19.000 0.051 0.000 0.822 60 A HN 0.512 nan 8.150 nan 0.000 0.443 61 G N -0.742 107.964 108.800 -0.157 0.000 2.418 61 G HA2 -0.100 3.861 3.960 0.000 0.000 0.217 61 G HA3 -0.100 3.861 3.960 0.000 0.000 0.217 61 G C 1.493 176.230 174.900 -0.272 0.000 1.158 61 G CA 1.284 46.295 45.100 -0.149 0.000 0.771 61 G HN 0.332 nan 8.290 nan 0.000 0.545 62 V N 1.378 121.036 119.914 -0.427 0.000 2.453 62 V HA -0.034 4.086 4.120 0.000 0.000 0.247 62 V C 3.282 179.072 176.094 -0.506 0.000 1.048 62 V CA 1.750 63.769 62.300 -0.469 0.000 1.049 62 V CB -0.625 30.775 31.823 -0.705 0.000 0.672 62 V HN 0.468 nan 8.190 nan 0.000 0.457 63 A N 0.279 122.729 122.820 -0.617 0.000 1.908 63 A HA -0.152 4.168 4.320 0.000 0.000 0.218 63 A C 2.444 179.517 177.584 -0.851 0.000 1.181 63 A CA 2.169 53.736 52.037 -0.782 0.000 0.627 63 A CB -0.805 17.560 19.000 -1.059 0.000 0.818 63 A HN 0.557 nan 8.150 nan 0.000 0.445 64 A N 0.066 122.388 122.820 -0.830 0.000 1.902 64 A HA -0.243 4.077 4.320 0.000 0.000 0.217 64 A C 1.980 179.415 177.584 -0.248 0.000 1.181 64 A CA 1.963 53.736 52.037 -0.440 0.000 0.623 64 A CB -0.682 18.210 19.000 -0.180 0.000 0.818 64 A HN 0.684 nan 8.150 nan 0.000 0.443 65 D N -0.093 120.164 120.400 -0.238 0.000 2.117 65 D HA -0.130 4.511 4.640 0.000 0.000 0.197 65 D C 1.890 178.083 176.300 -0.179 0.000 0.987 65 D CA 1.908 55.813 54.000 -0.158 0.000 0.829 65 D CB -0.045 40.685 40.800 -0.115 0.000 0.961 65 D HN 0.222 nan 8.370 nan 0.000 0.460 66 V N 1.063 120.834 119.914 -0.239 0.000 2.427 66 V HA -0.193 3.927 4.120 0.000 0.000 0.248 66 V C 2.620 178.592 176.094 -0.204 0.000 1.051 66 V CA 1.071 63.232 62.300 -0.233 0.000 1.048 66 V CB -0.462 31.194 31.823 -0.278 0.000 0.666 66 V HN 0.220 nan 8.190 nan 0.000 0.456 67 L N 0.912 122.020 121.223 -0.191 0.000 2.093 67 L HA -0.031 4.309 4.340 0.000 0.000 0.208 67 L C 2.421 179.248 176.870 -0.071 0.000 1.085 67 L CA 2.270 57.049 54.840 -0.101 0.000 0.755 67 L CB -0.888 41.147 42.059 -0.040 0.000 0.904 67 L HN 0.213 nan 8.230 nan 0.000 0.435 68 A N -0.312 122.458 122.820 -0.083 0.000 1.902 68 A HA -0.242 4.078 4.320 0.000 0.000 0.217 68 A C 2.522 180.053 177.584 -0.088 0.000 1.181 68 A CA 1.703 53.705 52.037 -0.058 0.000 0.623 68 A CB -0.643 18.326 19.000 -0.052 0.000 0.818 68 A HN 0.515 nan 8.150 nan 0.000 0.443 69 R N -0.282 120.115 120.500 -0.171 0.000 2.083 69 R HA -0.099 4.241 4.340 0.000 0.000 0.237 69 R C 1.841 177.949 176.300 -0.319 0.000 1.137 69 R CA 2.040 57.950 56.100 -0.317 0.000 0.951 69 R CB -0.368 29.635 30.300 -0.494 0.000 0.851 69 R HN 0.544 nan 8.270 nan 0.000 0.434 70 I N 0.036 120.480 120.570 -0.210 0.000 2.400 70 I HA -0.164 4.006 4.170 0.000 0.000 0.248 70 I C 2.287 178.443 176.117 0.065 0.000 1.109 70 I CA 1.473 62.753 61.300 -0.033 0.000 1.425 70 I CB -0.246 37.743 38.000 -0.019 0.000 1.094 70 I HN 0.378 nan 8.210 nan 0.000 0.425 71 T N -1.691 112.878 114.554 0.025 0.000 2.985 71 T HA 0.081 4.431 4.350 0.000 0.000 0.266 71 T C 1.703 176.435 174.700 0.054 0.000 1.076 71 T CA 0.649 62.775 62.100 0.044 0.000 1.135 71 T CB -0.225 68.662 68.868 0.032 0.000 0.890 71 T HN 0.512 nan 8.240 nan 0.000 0.480 72 G N 1.667 110.495 108.800 0.046 0.000 2.160 72 G HA2 -0.256 3.704 3.960 0.000 0.000 0.251 72 G HA3 -0.256 3.704 3.960 0.000 0.000 0.251 72 G C 0.033 174.956 174.900 0.038 0.000 1.008 72 G CA 0.123 45.255 45.100 0.053 0.000 0.724 72 G HN 0.728 nan 8.290 nan 0.000 0.514 73 R N -0.133 120.384 120.500 0.029 0.000 2.807 73 R HA 0.513 4.853 4.340 0.000 0.000 0.276 73 R C -2.759 173.555 176.300 0.024 0.000 0.979 73 R CA -2.214 53.906 56.100 0.033 0.000 0.928 73 R CB 1.964 32.290 30.300 0.043 0.000 1.191 73 R HN 0.002 nan 8.270 nan 0.000 0.471 74 P HA -0.007 nan 4.420 nan 0.000 0.268 74 P C -0.868 176.453 177.300 0.035 0.000 1.204 74 P CA 0.097 63.204 63.100 0.012 0.000 0.768 74 P CB 0.730 32.419 31.700 -0.017 0.000 0.842 75 Q N 0.935 120.758 119.800 0.039 0.000 2.495 75 Q HA 0.832 5.172 4.340 0.000 0.000 0.283 75 Q C -0.749 175.307 176.000 0.093 0.000 1.097 75 Q CA -0.960 54.889 55.803 0.078 0.000 0.836 75 Q CB 2.500 31.284 28.738 0.077 0.000 1.426 75 Q HN 0.474 nan 8.270 nan 0.000 0.459 76 A N 0.183 123.093 122.820 0.149 0.000 2.449 76 A HA 0.807 5.127 4.320 0.000 0.000 0.302 76 A C -0.552 177.160 177.584 0.213 0.000 1.048 76 A CA -0.528 51.607 52.037 0.163 0.000 0.708 76 A CB 0.843 19.943 19.000 0.166 0.000 1.274 76 A HN 0.846 nan 8.150 nan 0.000 0.410 77 C N -0.450 118.972 119.300 0.203 0.000 3.080 77 C HA 0.970 5.430 4.460 0.000 0.000 0.307 77 C C -1.099 174.076 174.990 0.309 0.000 1.311 77 C CA -0.927 58.224 59.018 0.221 0.000 1.533 77 C CB 1.401 29.222 27.740 0.135 0.000 1.970 77 C HN 1.087 nan 8.230 nan 0.000 0.467 78 W N 1.239 122.609 121.300 0.117 0.000 3.097 78 W HA 0.648 5.308 4.660 0.000 0.000 0.335 78 W C -1.031 175.600 176.519 0.187 0.000 1.114 78 W CA -0.045 57.415 57.345 0.191 0.000 1.231 78 W CB 2.175 31.807 29.460 0.287 0.000 1.388 78 W HN 1.305 nan 8.180 nan 0.000 0.485 79 A N 2.649 125.409 122.820 -0.100 0.000 2.532 79 A HA 0.663 4.983 4.320 0.000 0.000 0.290 79 A C -0.652 176.894 177.584 -0.063 0.000 1.143 79 A CA -0.432 51.639 52.037 0.057 0.000 0.728 79 A CB 1.836 20.858 19.000 0.036 0.000 1.317 79 A HN 0.461 nan 8.150 nan 0.000 0.414 80 T N -0.172 114.441 114.554 0.099 0.000 2.771 80 T HA 0.516 4.866 4.350 0.000 0.000 0.290 80 T C 0.557 175.265 174.700 0.014 0.000 1.005 80 T CA -0.001 62.154 62.100 0.091 0.000 0.944 80 T CB -0.095 68.851 68.868 0.130 0.000 1.147 80 T HN 1.056 nan 8.240 nan 0.000 0.534 81 L N -0.083 121.150 121.223 0.017 0.000 2.476 81 L HA 0.639 4.979 4.340 0.000 0.000 0.255 81 L C 1.251 178.112 176.870 -0.015 0.000 1.218 81 L CA -0.046 54.793 54.840 -0.003 0.000 0.819 81 L CB -0.673 41.383 42.059 -0.005 0.000 1.119 81 L HN 0.918 nan 8.230 nan 0.000 0.485 82 G N 1.355 110.141 108.800 -0.022 0.000 2.574 82 G HA2 -0.306 3.654 3.960 0.000 0.000 0.301 82 G HA3 -0.306 3.654 3.960 0.000 0.000 0.301 82 G C -1.204 173.675 174.900 -0.035 0.000 1.166 82 G CA 0.287 45.363 45.100 -0.040 0.000 0.971 82 G HN 0.773 nan 8.290 nan 0.000 0.542 83 P HA 0.143 nan 4.420 nan 0.000 0.225 83 P C 1.569 178.851 177.300 -0.031 0.000 1.156 83 P CA 1.769 64.849 63.100 -0.032 0.000 0.787 83 P CB -0.538 31.143 31.700 -0.033 0.000 0.802 87 N N 1.714 120.423 118.700 0.014 0.000 2.142 87 N HA 0.178 4.918 4.740 0.000 0.000 0.186 87 N C 1.763 177.350 175.510 0.127 0.000 1.023 87 N CA 1.194 54.285 53.050 0.068 0.000 0.852 87 N CB -0.423 38.004 38.487 -0.099 0.000 0.998 87 N HN 0.374 nan 8.380 nan 0.000 0.424 88 L N 1.050 122.312 121.223 0.066 0.000 2.191 88 L HA -0.122 4.218 4.340 0.000 0.000 0.212 88 L C 2.004 178.914 176.870 0.066 0.000 1.103 88 L CA 1.183 56.071 54.840 0.080 0.000 0.769 88 L CB -0.465 41.621 42.059 0.045 0.000 0.908 88 L HN 0.274 nan 8.230 nan 0.000 0.438 89 S N -2.092 113.618 115.700 0.018 0.000 2.442 89 S HA -0.163 4.307 4.470 0.000 0.000 0.236 89 S C 1.717 176.345 174.600 0.047 0.000 1.007 89 S CA 1.507 59.693 58.200 -0.023 0.000 0.965 89 S CB -0.497 62.657 63.200 -0.077 0.000 0.773 89 S HN 0.400 nan 8.310 nan 0.000 0.504 90 T N 1.456 116.088 114.554 0.129 0.000 2.867 90 T HA 0.104 4.455 4.350 0.000 0.000 0.268 90 T C 1.939 176.824 174.700 0.307 0.000 1.057 90 T CA 1.192 63.413 62.100 0.202 0.000 1.136 90 T CB -0.863 68.124 68.868 0.197 0.000 0.874 90 T HN 0.642 nan 8.240 nan 0.000 0.466 91 G N 1.347 110.315 108.800 0.280 0.000 2.394 91 G HA2 -0.079 3.881 3.960 0.000 0.000 0.215 91 G HA3 -0.079 3.881 3.960 0.000 0.000 0.215 91 G C 1.507 176.442 174.900 0.059 0.000 1.165 91 G CA 0.276 45.446 45.100 0.116 0.000 0.784 91 G HN 0.473 nan 8.290 nan 0.000 0.535 92 I N 1.508 122.104 120.570 0.044 0.000 2.163 92 I HA -0.220 3.950 4.170 0.000 0.000 0.243 92 I C 3.303 179.432 176.117 0.020 0.000 1.085 92 I CA 1.061 62.370 61.300 0.014 0.000 1.347 92 I CB -0.240 37.739 38.000 -0.036 0.000 1.044 92 I HN 0.242 nan 8.210 nan 0.000 0.408 93 A N 0.284 123.124 122.820 0.033 0.000 1.940 93 A HA -0.219 4.101 4.320 0.000 0.000 0.219 93 A C 2.379 179.987 177.584 0.041 0.000 1.176 93 A CA 2.486 54.541 52.037 0.029 0.000 0.631 93 A CB -1.105 17.915 19.000 0.033 0.000 0.814 93 A HN 0.397 nan 8.150 nan 0.000 0.446 94 T N -0.583 114.019 114.554 0.080 0.000 2.720 94 T HA -0.149 4.201 4.350 0.000 0.000 0.268 94 T C 2.290 177.012 174.700 0.037 0.000 1.037 94 T CA 1.854 64.004 62.100 0.083 0.000 1.144 94 T CB -0.317 68.640 68.868 0.148 0.000 0.864 94 T HN 0.585 nan 8.240 nan 0.000 0.444 95 S N 0.107 115.820 115.700 0.023 0.000 2.383 95 S HA -0.048 4.422 4.470 0.000 0.000 0.227 95 S C 2.140 176.742 174.600 0.002 0.000 1.026 95 S CA 0.953 59.155 58.200 0.003 0.000 0.981 95 S CB -0.446 62.753 63.200 -0.001 0.000 0.818 95 S HN 0.271 nan 8.310 nan 0.000 0.472 96 V N 0.917 120.835 119.914 0.006 0.000 2.591 96 V HA 0.106 4.227 4.120 0.000 0.000 0.249 96 V C 2.072 178.162 176.094 -0.006 0.000 1.053 96 V CA 1.513 63.815 62.300 0.003 0.000 1.068 96 V CB -0.237 31.588 31.823 0.004 0.000 0.689 96 V HN 0.541 nan 8.190 nan 0.000 0.462 97 L N -0.680 120.536 121.223 -0.011 0.000 2.202 97 L HA 0.042 4.382 4.340 0.000 0.000 0.205 97 L C 2.007 178.854 176.870 -0.040 0.000 1.083 97 L CA 1.122 55.946 54.840 -0.028 0.000 0.790 97 L CB -0.337 41.701 42.059 -0.035 0.000 0.942 97 L HN 0.272 nan 8.230 nan 0.000 0.452 98 D N -0.027 120.353 120.400 -0.033 0.000 2.323 98 D HA -0.007 4.633 4.640 0.000 0.000 0.209 98 D C -0.156 176.125 176.300 -0.032 0.000 0.973 98 D CA 0.228 54.204 54.000 -0.041 0.000 0.874 98 D CB 0.220 41.001 40.800 -0.032 0.000 0.930 98 D HN -0.032 nan 8.370 nan 0.000 0.521 99 R N 0.244 120.730 120.500 -0.024 0.000 2.598 99 R HA -0.095 4.245 4.340 0.000 0.000 0.323 99 R C -0.691 175.594 176.300 -0.026 0.000 0.993 99 R CA 0.140 56.230 56.100 -0.018 0.000 0.724 99 R CB -3.129 27.164 30.300 -0.011 0.000 2.060 99 R HN 0.322 nan 8.270 nan 0.000 0.470 100 S N 0.166 115.850 115.700 -0.027 0.000 2.548 100 S HA 0.763 5.233 4.470 0.000 0.000 0.276 100 S C -2.825 171.762 174.600 -0.022 0.000 1.129 100 S CA -1.659 56.518 58.200 -0.038 0.000 0.931 100 S CB 3.609 66.771 63.200 -0.063 0.000 1.068 100 S HN 0.143 nan 8.310 nan 0.000 0.480 101 P HA 0.335 nan 4.420 nan 0.000 0.266 101 P C -0.891 176.405 177.300 -0.007 0.000 1.586 101 P CA -0.277 62.816 63.100 -0.012 0.000 1.088 101 P CB 0.399 32.090 31.700 -0.014 0.000 1.584 102 V N 5.507 125.424 119.914 0.005 0.000 2.495 102 V HA 0.316 4.436 4.120 0.000 0.000 0.298 102 V C 0.425 176.547 176.094 0.047 0.000 1.031 102 V CA -0.761 61.551 62.300 0.021 0.000 0.871 102 V CB 2.178 34.009 31.823 0.013 0.000 0.988 102 V HN 0.294 nan 8.190 nan 0.000 0.432 103 I N 4.343 124.947 120.570 0.058 0.000 2.291 103 I HA 0.485 4.655 4.170 0.000 0.000 0.292 103 I C 0.658 176.845 176.117 0.117 0.000 1.064 103 I CA -0.232 61.115 61.300 0.079 0.000 1.269 103 I CB 0.814 38.849 38.000 0.059 0.000 1.418 103 I HN 0.684 nan 8.210 nan 0.000 0.485 104 A N 8.247 131.158 122.820 0.151 0.000 2.301 104 A HA 0.807 5.127 4.320 0.000 0.000 0.298 104 A C -0.375 177.301 177.584 0.153 0.000 1.185 104 A CA -0.408 51.746 52.037 0.194 0.000 0.830 104 A CB 0.644 19.797 19.000 0.256 0.000 1.112 104 A HN 0.688 nan 8.150 nan 0.000 0.508 105 L N 1.833 123.081 121.223 0.041 0.000 2.385 105 L HA 0.780 5.120 4.340 0.000 0.000 0.273 105 L C 0.087 176.682 176.870 -0.457 0.000 0.990 105 L CA -0.385 54.305 54.840 -0.250 0.000 0.821 105 L CB 2.168 44.121 42.059 -0.176 0.000 1.279 105 L HN 0.805 nan 8.230 nan 0.000 0.412 106 A N 1.982 124.505 122.820 -0.496 0.000 2.486 106 A HA 0.909 5.229 4.320 0.000 0.000 0.300 106 A C -0.476 176.861 177.584 -0.411 0.000 1.048 106 A CA -0.394 51.391 52.037 -0.420 0.000 0.696 106 A CB 1.661 20.686 19.000 0.040 0.000 1.278 106 A HN 0.768 nan 8.150 nan 0.000 0.405 107 A N 0.624 123.246 122.820 -0.330 0.000 2.327 107 A HA 0.638 4.958 4.320 0.000 0.000 0.255 107 A C 0.126 177.667 177.584 -0.071 0.000 1.099 107 A CA 0.182 52.140 52.037 -0.131 0.000 0.801 107 A CB 0.549 19.569 19.000 0.033 0.000 1.062 107 A HN 1.221 nan 8.150 nan 0.000 0.496 108 Q N -0.502 119.271 119.800 -0.045 0.000 2.511 108 Q HA 0.510 4.850 4.340 0.000 0.000 0.289 108 Q C -0.582 175.399 176.000 -0.032 0.000 1.021 108 Q CA -0.316 55.464 55.803 -0.037 0.000 0.785 108 Q CB 1.593 30.298 28.738 -0.055 0.000 1.472 108 Q HN 0.748 nan 8.270 nan 0.000 0.411 109 S N 1.612 117.288 115.700 -0.040 0.000 2.559 109 S HA 0.042 4.512 4.470 0.000 0.000 0.282 109 S C -0.520 174.022 174.600 -0.097 0.000 1.336 109 S CA -0.074 58.093 58.200 -0.057 0.000 1.037 109 S CB 0.025 63.187 63.200 -0.064 0.000 0.853 109 S HN 0.560 nan 8.310 nan 0.000 0.523 110 E N 1.714 121.839 120.200 -0.124 0.000 2.653 110 E HA -0.049 4.301 4.350 0.000 0.000 0.264 110 E C 1.367 177.817 176.600 -0.250 0.000 0.949 110 E CA 0.576 56.868 56.400 -0.180 0.000 0.953 110 E CB 0.286 29.812 29.700 -0.291 0.000 0.925 110 E HN 0.657 nan 8.360 nan 0.000 0.475 111 S N 2.987 118.608 115.700 -0.132 0.000 2.387 111 S HA -0.325 4.145 4.470 0.000 0.000 0.230 111 S C 1.603 176.122 174.600 -0.136 0.000 1.035 111 S CA 1.918 60.057 58.200 -0.102 0.000 1.014 111 S CB -0.638 62.552 63.200 -0.016 0.000 0.836 111 S HN 0.798 nan 8.310 nan 0.000 0.466 112 H N -0.815 118.202 119.070 -0.087 0.000 2.551 112 H HA 0.438 4.994 4.556 0.000 0.000 0.266 112 H C 0.926 176.165 175.328 -0.149 0.000 0.977 112 H CA 0.816 56.807 56.048 -0.095 0.000 1.163 112 H CB -0.277 29.471 29.762 -0.025 0.000 1.381 112 H HN 0.439 nan 8.280 nan 0.000 0.581 113 D N 0.326 120.435 120.400 -0.485 0.000 2.535 113 D HA 0.155 4.796 4.640 0.000 0.000 0.229 113 D C -0.361 175.701 176.300 -0.397 0.000 1.238 113 D CA -0.305 53.496 54.000 -0.332 0.000 0.824 113 D CB 0.004 40.647 40.800 -0.263 0.000 1.045 113 D HN 0.379 nan 8.370 nan 0.000 0.500 114 I N 1.578 121.821 120.570 -0.545 0.000 2.389 114 I HA 0.118 4.288 4.170 0.000 0.000 0.295 114 I C -0.574 175.177 176.117 -0.609 0.000 1.117 114 I CA 0.125 61.182 61.300 -0.405 0.000 1.317 114 I CB -0.039 37.796 38.000 -0.275 0.000 1.431 114 I HN -0.092 nan 8.210 nan 0.000 0.521 115 F N 7.430 127.371 119.950 -0.015 0.000 2.691 115 F HA 0.380 4.907 4.527 0.000 0.000 0.371 115 F C -2.271 173.526 175.800 -0.006 0.000 1.159 115 F CA -2.766 55.231 58.000 -0.005 0.000 1.174 115 F CB 0.753 39.754 39.000 0.001 0.000 1.419 115 F HN 0.245 nan 8.300 nan 0.000 0.514 116 P HA 0.071 nan 4.420 nan 0.000 0.264 116 P C 0.089 177.432 177.300 0.071 0.000 1.193 116 P CA 0.637 63.776 63.100 0.065 0.000 0.763 116 P CB 0.416 32.137 31.700 0.035 0.000 0.810 117 N N 1.046 119.774 118.700 0.047 0.000 2.878 117 N HA -0.158 4.582 4.740 0.000 0.000 0.247 117 N C 0.128 175.664 175.510 0.045 0.000 1.021 117 N CA 1.222 54.292 53.050 0.035 0.000 0.873 117 N CB -1.468 37.034 38.487 0.025 0.000 1.128 117 N HN 0.524 nan 8.380 nan 0.000 0.571 118 D N -1.055 119.389 120.400 0.073 0.000 2.760 118 D HA 0.069 4.710 4.640 0.000 0.000 0.285 118 D C 0.193 176.550 176.300 0.095 0.000 1.178 118 D CA 0.574 54.614 54.000 0.066 0.000 1.031 118 D CB 0.013 40.838 40.800 0.042 0.000 1.544 118 D HN 0.011 nan 8.370 nan 0.000 0.468 119 T N 0.994 115.642 114.554 0.156 0.000 2.930 119 T HA 0.001 4.351 4.350 0.000 0.000 0.306 119 T C 0.145 174.923 174.700 0.129 0.000 1.045 119 T CA 0.118 62.317 62.100 0.166 0.000 1.134 119 T CB 0.488 69.469 68.868 0.188 0.000 0.961 119 T HN 0.081 nan 8.240 nan 0.000 0.545 120 H N 2.853 121.950 119.070 0.045 0.000 3.157 120 H HA -0.005 4.551 4.556 0.000 0.000 0.299 120 H C 1.048 176.392 175.328 0.026 0.000 0.961 120 H CA 1.078 57.145 56.048 0.031 0.000 1.428 120 H CB -0.111 29.667 29.762 0.027 0.000 1.459 120 H HN 0.769 nan 8.280 nan 0.000 0.566 121 Q N 1.423 121.000 119.800 -0.371 0.000 2.460 121 Q HA -0.267 4.073 4.340 0.000 0.000 0.248 121 Q C -0.457 175.480 176.000 -0.105 0.000 0.847 121 Q CA 1.010 56.645 55.803 -0.280 0.000 1.214 121 Q CB -1.856 26.683 28.738 -0.331 0.000 1.523 121 Q HN 0.599 nan 8.270 nan 0.000 0.602 122 C N 1.436 120.707 119.300 -0.049 0.000 2.239 122 C HA 0.648 5.108 4.460 0.000 0.000 0.325 122 C C 0.205 175.190 174.990 -0.009 0.000 1.231 122 C CA -0.499 58.510 59.018 -0.015 0.000 1.652 122 C CB -0.393 27.357 27.740 0.018 0.000 2.284 122 C HN 0.334 nan 8.230 nan 0.000 0.499 123 L N 4.524 125.739 121.223 -0.014 0.000 2.333 123 L HA 0.427 4.767 4.340 0.000 0.000 0.269 123 L C 0.105 176.973 176.870 -0.004 0.000 1.010 123 L CA -0.510 54.325 54.840 -0.010 0.000 0.818 123 L CB 1.246 43.293 42.059 -0.020 0.000 1.306 123 L HN 0.498 nan 8.230 nan 0.000 0.430 124 D N 0.614 121.012 120.400 -0.003 0.000 2.541 124 D HA 0.044 4.684 4.640 0.000 0.000 0.231 124 D C 0.954 177.256 176.300 0.004 0.000 1.163 124 D CA 0.235 54.235 54.000 -0.000 0.000 1.077 124 D CB 0.590 41.389 40.800 -0.002 0.000 1.110 124 D HN 0.458 nan 8.370 nan 0.000 0.499 125 S N 0.898 116.618 115.700 0.033 0.000 2.359 125 S HA -0.151 4.319 4.470 0.000 0.000 0.224 125 S C 2.184 176.822 174.600 0.064 0.000 1.035 125 S CA 0.713 58.947 58.200 0.057 0.000 1.018 125 S CB 0.008 63.339 63.200 0.219 0.000 0.876 125 S HN 0.427 nan 8.310 nan 0.000 0.448 126 V N 2.020 122.023 119.914 0.149 0.000 2.343 126 V HA -0.213 3.907 4.120 0.000 0.000 0.247 126 V C 2.666 178.770 176.094 0.017 0.000 1.051 126 V CA 1.730 64.108 62.300 0.130 0.000 1.036 126 V CB -1.216 30.647 31.823 0.068 0.000 0.654 126 V HN 0.562 nan 8.190 nan 0.000 0.451 127 A N -0.424 122.394 122.820 -0.004 0.000 1.972 127 A HA -0.146 4.174 4.320 0.000 0.000 0.219 127 A C 2.154 179.711 177.584 -0.045 0.000 1.169 127 A CA 1.770 53.794 52.037 -0.023 0.000 0.635 127 A CB -0.499 18.491 19.000 -0.017 0.000 0.810 127 A HN 0.526 nan 8.150 nan 0.000 0.446 128 I N -0.930 119.600 120.570 -0.066 0.000 2.353 128 I HA -0.136 4.034 4.170 0.000 0.000 0.248 128 I C 1.945 177.979 176.117 -0.139 0.000 1.119 128 I CA 0.846 62.089 61.300 -0.095 0.000 1.417 128 I CB 0.101 38.038 38.000 -0.105 0.000 1.078 128 I HN 0.142 nan 8.210 nan 0.000 0.421 129 V N 0.211 120.001 119.914 -0.205 0.000 3.307 129 V HA 0.094 4.214 4.120 0.000 0.000 0.253 129 V C 2.450 178.462 176.094 -0.137 0.000 1.149 129 V CA 1.032 63.164 62.300 -0.280 0.000 1.112 129 V CB -0.047 31.355 31.823 -0.703 0.000 0.777 129 V HN 0.375 nan 8.190 nan 0.000 0.464 130 A N 0.863 123.639 122.820 -0.073 0.000 1.940 130 A HA -0.049 4.271 4.320 0.000 0.000 0.219 130 A C -0.475 177.094 177.584 -0.026 0.000 1.176 130 A CA 1.311 53.329 52.037 -0.031 0.000 0.631 130 A CB -1.519 17.466 19.000 -0.025 0.000 0.814 130 A HN 0.537 nan 8.150 nan 0.000 0.446 134 K N -0.303 120.156 120.400 0.097 0.000 2.365 134 K HA 0.275 4.595 4.320 0.000 0.000 0.197 134 K C -0.376 176.345 176.600 0.202 0.000 1.042 134 K CA 0.883 57.237 56.287 0.112 0.000 0.987 134 K CB -0.405 32.149 32.500 0.089 0.000 0.779 134 K HN 0.703 nan 8.250 nan 0.000 0.484 135 Y N -0.922 119.401 120.300 0.038 0.000 2.452 135 Y HA 0.393 4.943 4.550 0.000 0.000 0.323 135 Y C -2.167 173.784 175.900 0.085 0.000 1.244 135 Y CA -1.140 56.986 58.100 0.042 0.000 1.158 135 Y CB 1.030 39.504 38.460 0.024 0.000 1.332 135 Y HN -0.064 nan 8.280 nan 0.000 0.456 136 A N 4.818 127.413 122.820 -0.375 0.000 2.465 136 A HA 0.820 5.140 4.320 0.000 0.000 0.292 136 A C -2.177 175.174 177.584 -0.388 0.000 1.041 136 A CA -0.302 51.633 52.037 -0.170 0.000 0.718 136 A CB 1.530 20.567 19.000 0.062 0.000 1.266 136 A HN 1.383 nan 8.150 nan 0.000 0.403 137 V N 1.332 121.038 119.914 -0.346 0.000 3.204 137 V HA 0.656 4.776 4.120 0.000 0.000 0.298 137 V C -1.279 174.674 176.094 -0.236 0.000 1.328 137 V CA -0.480 61.634 62.300 -0.309 0.000 1.035 137 V CB 2.108 33.693 31.823 -0.397 0.000 1.095 137 V HN 1.040 nan 8.190 nan 0.000 0.442 138 E N 3.178 123.280 120.200 -0.164 0.000 2.171 138 E HA 0.470 4.820 4.350 0.000 0.000 0.271 138 E C -1.204 175.326 176.600 -0.117 0.000 0.916 138 E CA -0.872 55.440 56.400 -0.147 0.000 0.774 138 E CB 1.844 31.483 29.700 -0.101 0.000 1.128 138 E HN 0.673 nan 8.360 nan 0.000 0.403 139 L N 4.241 125.395 121.223 -0.115 0.000 2.499 139 L HA -0.000 4.340 4.340 0.000 0.000 0.273 139 L C 0.458 177.287 176.870 -0.067 0.000 1.195 139 L CA 1.160 55.951 54.840 -0.082 0.000 0.882 139 L CB 0.597 42.614 42.059 -0.071 0.000 1.133 139 L HN 0.754 nan 8.230 nan 0.000 0.483 140 Q N 3.547 123.310 119.800 -0.061 0.000 2.477 140 Q HA 0.299 4.639 4.340 0.000 0.000 0.252 140 Q C -0.145 175.832 176.000 -0.038 0.000 0.869 140 Q CA 0.116 55.891 55.803 -0.047 0.000 0.969 140 Q CB 0.822 29.533 28.738 -0.044 0.000 1.144 140 Q HN 0.576 nan 8.270 nan 0.000 0.577 141 R N 0.613 121.075 120.500 -0.062 0.000 2.451 141 R HA 0.238 4.578 4.340 0.000 0.000 0.307 141 R C -2.213 174.034 176.300 -0.087 0.000 0.965 141 R CA -1.832 54.233 56.100 -0.059 0.000 0.865 141 R CB 1.520 31.773 30.300 -0.079 0.000 1.174 141 R HN -0.105 nan 8.270 nan 0.000 0.455 142 P HA -0.303 nan 4.420 nan 0.000 0.217 142 P C 1.011 178.314 177.300 0.006 0.000 1.162 142 P CA 1.524 64.631 63.100 0.010 0.000 0.901 142 P CB -0.022 31.708 31.700 0.051 0.000 0.793 143 H N -0.234 118.846 119.070 0.016 0.000 2.489 143 H HA -0.018 4.538 4.556 0.000 0.000 0.293 143 H C 1.158 176.501 175.328 0.026 0.000 1.066 143 H CA 1.107 57.166 56.048 0.019 0.000 1.305 143 H CB -0.709 29.061 29.762 0.013 0.000 1.386 143 H HN 0.248 nan 8.280 nan 0.000 0.551 144 E N 0.319 120.213 120.200 -0.510 0.000 2.478 144 E HA -0.051 4.299 4.350 0.000 0.000 0.198 144 E C 1.833 178.376 176.600 -0.095 0.000 1.046 144 E CA 0.229 56.443 56.400 -0.311 0.000 0.870 144 E CB -0.024 29.491 29.700 -0.310 0.000 0.818 144 E HN 0.315 nan 8.360 nan 0.000 0.527 145 I N 1.132 121.673 120.570 -0.047 0.000 2.335 145 I HA -0.267 3.903 4.170 0.000 0.000 0.251 145 I C 1.953 178.093 176.117 0.039 0.000 1.129 145 I CA 1.581 62.885 61.300 0.007 0.000 1.402 145 I CB -0.324 37.694 38.000 0.031 0.000 1.069 145 I HN -0.020 nan 8.210 nan 0.000 0.424 146 T N 0.672 115.255 114.554 0.049 0.000 2.708 146 T HA -0.196 4.154 4.350 0.000 0.000 0.266 146 T C 1.416 176.155 174.700 0.066 0.000 1.037 146 T CA 1.844 63.987 62.100 0.072 0.000 1.146 146 T CB -0.501 68.415 68.868 0.081 0.000 0.865 146 T HN 0.699 nan 8.240 nan 0.000 0.435 147 D N 1.004 121.431 120.400 0.045 0.000 2.224 147 D HA -0.021 4.619 4.640 0.000 0.000 0.205 147 D C 2.014 178.332 176.300 0.030 0.000 0.965 147 D CA 0.609 54.633 54.000 0.039 0.000 0.852 147 D CB -0.655 40.165 40.800 0.033 0.000 0.947 147 D HN 0.324 nan 8.370 nan 0.000 0.494 148 L N 0.295 121.542 121.223 0.040 0.000 2.056 148 L HA -0.100 4.240 4.340 0.000 0.000 0.207 148 L C 2.481 179.375 176.870 0.040 0.000 1.078 148 L CA 0.685 55.573 54.840 0.080 0.000 0.749 148 L CB -0.351 41.753 42.059 0.075 0.000 0.901 148 L HN 0.081 nan 8.230 nan 0.000 0.433 149 V N -0.155 119.778 119.914 0.031 0.000 2.407 149 V HA -0.269 3.851 4.120 0.000 0.000 0.248 149 V C 2.103 178.155 176.094 -0.071 0.000 1.055 149 V CA 1.777 64.080 62.300 0.005 0.000 1.049 149 V CB -0.496 31.370 31.823 0.072 0.000 0.662 149 V HN 0.422 nan 8.190 nan 0.000 0.455 150 D N 0.037 120.437 120.400 -0.001 0.000 2.097 150 D HA -0.112 4.528 4.640 0.000 0.000 0.197 150 D C 2.448 178.658 176.300 -0.151 0.000 0.984 150 D CA 1.669 55.667 54.000 -0.003 0.000 0.826 150 D CB -0.288 40.565 40.800 0.088 0.000 0.973 150 D HN 0.362 nan 8.370 nan 0.000 0.460 151 S N 0.475 116.053 115.700 -0.204 0.000 2.382 151 S HA -0.104 4.366 4.470 0.000 0.000 0.228 151 S C 2.069 176.199 174.600 -0.785 0.000 1.027 151 S CA 0.977 58.929 58.200 -0.412 0.000 0.991 151 S CB -0.158 62.831 63.200 -0.352 0.000 0.823 151 S HN 0.359 nan 8.310 nan 0.000 0.469 152 A N 1.240 123.622 122.820 -0.730 0.000 1.858 152 A HA -0.057 4.263 4.320 0.000 0.000 0.216 152 A C 2.347 179.745 177.584 -0.310 0.000 1.190 152 A CA 1.590 53.306 52.037 -0.536 0.000 0.617 152 A CB -1.006 17.923 19.000 -0.119 0.000 0.827 152 A HN 0.334 nan 8.150 nan 0.000 0.443 153 V N 1.029 120.767 119.914 -0.294 0.000 2.343 153 V HA -0.278 3.842 4.120 0.000 0.000 0.247 153 V C 2.346 178.319 176.094 -0.202 0.000 1.051 153 V CA 2.196 64.328 62.300 -0.280 0.000 1.036 153 V CB -1.046 30.456 31.823 -0.536 0.000 0.654 153 V HN 0.551 nan 8.190 nan 0.000 0.451 154 N N 0.622 119.200 118.700 -0.203 0.000 2.104 154 N HA -0.153 4.587 4.740 0.000 0.000 0.190 154 N C 1.799 177.238 175.510 -0.118 0.000 1.024 154 N CA 1.852 54.822 53.050 -0.134 0.000 0.853 154 N CB -0.496 37.915 38.487 -0.127 0.000 1.008 154 N HN 0.518 nan 8.380 nan 0.000 0.424 155 A N 0.510 123.229 122.820 -0.168 0.000 1.970 155 A HA 0.359 4.679 4.320 0.000 0.000 0.216 155 A C 1.374 178.933 177.584 -0.041 0.000 1.170 155 A CA 0.793 52.778 52.037 -0.088 0.000 0.645 155 A CB -0.528 18.428 19.000 -0.074 0.000 0.816 155 A HN 0.348 nan 8.150 nan 0.000 0.447 159 E N 3.397 123.593 120.200 -0.007 0.000 2.392 159 E HA 0.209 4.559 4.350 0.000 0.000 0.264 159 E C -2.155 174.444 176.600 -0.002 0.000 1.024 159 E CA -1.548 54.849 56.400 -0.005 0.000 0.903 159 E CB 0.442 30.136 29.700 -0.011 0.000 0.963 159 E HN 0.286 nan 8.360 nan 0.000 0.432 160 P HA 0.011 nan 4.420 nan 0.000 0.276 160 P C 0.096 177.398 177.300 0.003 0.000 1.243 160 P CA -0.276 62.825 63.100 0.002 0.000 0.768 160 P CB 0.503 32.206 31.700 0.004 0.000 0.856 161 V N 1.612 121.527 119.914 0.002 0.000 2.999 161 V HA 0.714 4.834 4.120 0.000 0.000 0.307 161 V C 0.611 176.706 176.094 0.002 0.000 1.084 161 V CA 0.486 62.786 62.300 0.001 0.000 1.155 161 V CB -0.003 31.820 31.823 -0.000 0.000 0.975 161 V HN 0.899 nan 8.190 nan 0.000 0.490 162 G N 2.699 111.502 108.800 0.005 0.000 2.428 162 G HA2 0.592 4.552 3.960 0.000 0.000 0.304 162 G HA3 0.592 4.552 3.960 0.000 0.000 0.304 162 G C -3.506 171.408 174.900 0.023 0.000 1.303 162 G CA -0.546 44.561 45.100 0.012 0.000 0.825 162 G HN 0.737 nan 8.290 nan 0.000 0.484 163 P HA 0.475 nan 4.420 nan 0.000 0.284 163 P C -0.659 176.703 177.300 0.105 0.000 1.253 163 P CA -0.167 62.970 63.100 0.061 0.000 0.800 163 P CB 1.799 33.532 31.700 0.055 0.000 0.961 164 S N 2.160 117.941 115.700 0.135 0.000 2.501 164 S HA 0.607 5.077 4.470 0.000 0.000 0.301 164 S C -0.902 173.868 174.600 0.283 0.000 1.096 164 S CA -0.326 58.015 58.200 0.234 0.000 1.063 164 S CB 0.511 63.825 63.200 0.189 0.000 1.042 164 S HN 0.417 nan 8.310 nan 0.000 0.494 165 F N 3.353 123.375 119.950 0.121 0.000 2.507 165 F HA 0.694 5.221 4.527 0.000 0.000 0.325 165 F C -1.259 174.550 175.800 0.014 0.000 1.116 165 F CA -1.152 56.867 58.000 0.031 0.000 0.930 165 F CB 0.638 39.626 39.000 -0.020 0.000 1.146 165 F HN 0.429 nan 8.300 nan 0.000 0.447 166 I N 4.773 124.867 120.570 -0.793 0.000 2.447 166 I HA 0.261 4.431 4.170 0.000 0.000 0.287 166 I C -0.483 175.012 176.117 -1.038 0.000 1.023 166 I CA -0.789 60.090 61.300 -0.702 0.000 1.083 166 I CB 1.910 39.751 38.000 -0.265 0.000 1.245 166 I HN 0.524 nan 8.210 nan 0.000 0.434 167 S N 7.062 122.248 115.700 -0.857 0.000 2.499 167 S HA 0.653 5.123 4.470 0.000 0.000 0.279 167 S C -0.584 173.842 174.600 -0.290 0.000 1.219 167 S CA -0.444 57.441 58.200 -0.525 0.000 1.062 167 S CB 0.398 63.446 63.200 -0.255 0.000 0.978 167 S HN 0.479 nan 8.310 nan 0.000 0.489 168 L N 6.736 127.822 121.223 -0.228 0.000 2.384 168 L HA 0.396 4.736 4.340 0.000 0.000 0.261 168 L C -2.450 174.378 176.870 -0.071 0.000 1.024 168 L CA -2.040 52.719 54.840 -0.134 0.000 0.899 168 L CB 1.544 43.528 42.059 -0.126 0.000 1.243 168 L HN 0.441 nan 8.230 nan 0.000 0.449 169 P HA -0.076 nan 4.420 nan 0.000 0.262 169 P C 1.215 178.510 177.300 -0.008 0.000 1.182 169 P CA 0.024 63.099 63.100 -0.042 0.000 0.761 169 P CB 0.915 32.584 31.700 -0.051 0.000 0.795 170 V N 1.670 121.587 119.914 0.005 0.000 2.490 170 V HA -0.229 3.891 4.120 0.000 0.000 0.250 170 V C 1.595 177.709 176.094 0.033 0.000 1.061 170 V CA 2.164 64.486 62.300 0.036 0.000 1.064 170 V CB -1.224 30.626 31.823 0.045 0.000 0.670 170 V HN 0.483 nan 8.190 nan 0.000 0.461 171 D N 1.066 121.483 120.400 0.028 0.000 2.117 171 D HA -0.207 4.433 4.640 0.000 0.000 0.198 171 D C 2.075 178.397 176.300 0.037 0.000 0.982 171 D CA 1.868 55.895 54.000 0.045 0.000 0.828 171 D CB -0.585 40.263 40.800 0.080 0.000 0.967 171 D HN 0.526 nan 8.370 nan 0.000 0.464 172 L N -0.440 120.799 121.223 0.027 0.000 2.109 172 L HA -0.060 4.280 4.340 0.000 0.000 0.207 172 L C 2.636 179.521 176.870 0.025 0.000 1.086 172 L CA 0.304 55.157 54.840 0.022 0.000 0.760 172 L CB -0.422 41.641 42.059 0.006 0.000 0.910 172 L HN 0.043 nan 8.230 nan 0.000 0.437 173 L N 0.512 121.754 121.223 0.032 0.000 2.079 173 L HA -0.091 4.249 4.340 0.000 0.000 0.210 173 L C 1.996 178.884 176.870 0.031 0.000 1.081 173 L CA 1.961 56.830 54.840 0.048 0.000 0.752 173 L CB -0.865 41.244 42.059 0.084 0.000 0.896 173 L HN 0.136 nan 8.230 nan 0.000 0.433 174 G N -1.559 107.256 108.800 0.024 0.000 3.233 174 G HA2 0.108 4.068 3.960 0.000 0.000 0.227 174 G HA3 0.108 4.068 3.960 0.000 0.000 0.227 174 G C 0.372 175.281 174.900 0.014 0.000 1.175 174 G CA 0.507 45.614 45.100 0.011 0.000 0.781 174 G HN 0.390 nan 8.290 nan 0.000 0.542 175 S N -0.255 115.458 115.700 0.021 0.000 2.565 175 S HA 0.476 4.947 4.470 0.000 0.000 0.290 175 S C 1.268 175.880 174.600 0.021 0.000 1.150 175 S CA 0.238 58.451 58.200 0.021 0.000 1.058 175 S CB 1.682 64.898 63.200 0.027 0.000 1.032 175 S HN 0.297 nan 8.310 nan 0.000 0.510 176 S N 0.990 116.699 115.700 0.015 0.000 2.559 176 S HA 0.322 4.792 4.470 0.000 0.000 0.226 176 S C 0.549 175.160 174.600 0.018 0.000 1.000 176 S CA 0.310 58.517 58.200 0.011 0.000 0.948 176 S CB -0.606 62.591 63.200 -0.006 0.000 0.870 176 S HN 1.059 nan 8.310 nan 0.000 0.497 177 E N 1.181 121.396 120.200 0.026 0.000 2.493 177 E HA 0.420 4.770 4.350 0.000 0.000 0.255 177 E C 1.234 177.867 176.600 0.056 0.000 0.999 177 E CA 0.150 56.568 56.400 0.031 0.000 0.934 177 E CB -1.350 28.370 29.700 0.033 0.000 0.940 177 E HN 1.481 nan 8.360 nan 0.000 0.473 178 G N 1.889 110.703 108.800 0.023 0.000 2.176 178 G HA2 -0.240 3.720 3.960 0.000 0.000 0.253 178 G HA3 -0.240 3.720 3.960 0.000 0.000 0.253 178 G C 0.447 175.328 174.900 -0.032 0.000 0.979 178 G CA 0.170 45.262 45.100 -0.014 0.000 0.641 178 G HN 0.860 nan 8.290 nan 0.000 0.530 179 I N 2.277 122.856 120.570 0.015 0.000 2.304 179 I HA 0.536 4.706 4.170 0.000 0.000 0.291 179 I C 0.806 176.907 176.117 -0.026 0.000 1.018 179 I CA 0.344 61.653 61.300 0.015 0.000 1.260 179 I CB 0.586 38.604 38.000 0.030 0.000 1.390 179 I HN 0.320 nan 8.210 nan 0.000 0.475 187 P HA 0.407 nan 4.420 nan 0.000 0.269 187 P C 0.712 177.973 177.300 -0.066 0.000 1.209 187 P CA -0.263 62.813 63.100 -0.040 0.000 0.776 187 P CB 0.594 32.280 31.700 -0.023 0.000 0.876 188 A N 2.333 125.069 122.820 -0.141 0.000 1.930 188 A HA -0.090 4.230 4.320 0.000 0.000 0.215 188 A C 0.840 178.363 177.584 -0.101 0.000 1.176 188 A CA 0.672 52.539 52.037 -0.283 0.000 0.632 188 A CB -0.941 17.665 19.000 -0.658 0.000 0.819 188 A HN 0.777 nan 8.150 nan 0.000 0.445 189 N N 0.649 119.319 118.700 -0.050 0.000 2.696 189 N HA -0.115 4.625 4.740 0.000 0.000 0.256 189 N C -0.938 174.621 175.510 0.082 0.000 1.031 189 N CA 0.801 53.863 53.050 0.019 0.000 0.730 189 N CB -1.111 37.393 38.487 0.028 0.000 0.894 189 N HN 0.467 nan 8.380 nan 0.000 0.544 190 T N 1.883 116.499 114.554 0.102 0.000 2.814 190 T HA 0.257 4.607 4.350 0.000 0.000 0.297 190 T C -1.816 172.938 174.700 0.089 0.000 0.956 190 T CA -0.697 61.510 62.100 0.180 0.000 1.123 190 T CB 0.918 69.923 68.868 0.227 0.000 0.902 190 T HN 0.094 nan 8.240 nan 0.000 0.528 191 P HA 0.206 nan 4.420 nan 0.000 0.264 191 P C 0.366 177.689 177.300 0.039 0.000 1.193 191 P CA -0.219 62.905 63.100 0.039 0.000 0.763 191 P CB 0.465 32.179 31.700 0.023 0.000 0.810 192 A N 3.824 126.664 122.820 0.033 0.000 2.016 192 A HA -0.024 4.296 4.320 0.000 0.000 0.217 192 A C 0.848 178.450 177.584 0.031 0.000 1.162 192 A CA 1.221 53.277 52.037 0.033 0.000 0.662 192 A CB -0.441 18.577 19.000 0.029 0.000 0.812 192 A HN 0.656 nan 8.150 nan 0.000 0.450 193 K N -1.036 119.379 120.400 0.026 0.000 2.509 193 K HA 0.593 4.913 4.320 0.000 0.000 0.266 193 K C -3.385 173.224 176.600 0.016 0.000 0.987 193 K CA -2.095 54.206 56.287 0.025 0.000 0.868 193 K CB 0.972 33.487 32.500 0.024 0.000 1.421 193 K HN -0.219 nan 8.250 nan 0.000 0.444 194 P HA -0.026 nan 4.420 nan 0.000 0.264 194 P C -0.581 176.718 177.300 -0.002 0.000 1.183 194 P CA -0.398 62.705 63.100 0.005 0.000 0.763 194 P CB 0.500 32.204 31.700 0.007 0.000 0.807 195 V N 3.021 122.932 119.914 -0.005 0.000 2.740 195 V HA 0.437 4.557 4.120 0.000 0.000 0.303 195 V C 1.147 177.231 176.094 -0.016 0.000 1.054 195 V CA 1.006 63.301 62.300 -0.009 0.000 1.106 195 V CB 0.572 32.390 31.823 -0.008 0.000 0.957 195 V HN 0.865 nan 8.190 nan 0.000 0.486 196 G N 2.469 111.254 108.800 -0.025 0.000 2.949 196 G HA2 0.720 4.680 3.960 0.000 0.000 0.285 196 G HA3 0.720 4.680 3.960 0.000 0.000 0.285 196 G C -0.869 174.007 174.900 -0.040 0.000 1.395 196 G CA -0.226 44.852 45.100 -0.036 0.000 0.901 196 G HN 0.917 nan 8.290 nan 0.000 0.519 197 V N -2.418 117.467 119.914 -0.048 0.000 2.834 197 V HA 0.875 4.995 4.120 0.000 0.000 0.313 197 V C -0.444 175.601 176.094 -0.081 0.000 1.060 197 V CA -0.985 61.288 62.300 -0.045 0.000 0.989 197 V CB 1.489 33.295 31.823 -0.028 0.000 1.041 197 V HN 0.625 nan 8.190 nan 0.000 0.459 198 V N 1.918 121.796 119.914 -0.059 0.000 2.612 198 V HA 0.747 4.867 4.120 0.000 0.000 0.301 198 V C 0.310 176.421 176.094 0.029 0.000 1.059 198 V CA -0.138 62.114 62.300 -0.080 0.000 0.886 198 V CB 1.403 33.181 31.823 -0.075 0.000 1.007 198 V HN 1.403 nan 8.190 nan 0.000 0.426 199 A N 2.828 125.687 122.820 0.066 0.000 2.331 199 A HA 0.564 4.884 4.320 0.000 0.000 0.283 199 A C -0.007 177.703 177.584 0.209 0.000 1.142 199 A CA -0.250 51.854 52.037 0.112 0.000 0.812 199 A CB 0.363 19.416 19.000 0.088 0.000 1.074 199 A HN 0.969 nan 8.150 nan 0.000 0.497 200 D N 1.482 121.963 120.400 0.134 0.000 2.488 200 D HA 0.346 4.986 4.640 0.000 0.000 0.238 200 D C 1.333 177.684 176.300 0.085 0.000 1.138 200 D CA 1.951 56.017 54.000 0.110 0.000 0.873 200 D CB 0.241 41.076 40.800 0.058 0.000 1.183 200 D HN 1.284 nan 8.370 nan 0.000 0.458 201 G N 3.528 112.341 108.800 0.020 0.000 2.147 201 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 201 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 201 G C 0.939 175.826 174.900 -0.021 0.000 1.005 201 G CA 0.488 45.564 45.100 -0.040 0.000 0.713 201 G HN 0.696 nan 8.290 nan 0.000 0.515 202 W N -0.280 120.998 121.300 -0.036 0.000 2.436 202 W HA -0.004 4.656 4.660 0.000 0.000 0.284 202 W C 1.537 178.010 176.519 -0.076 0.000 1.225 202 W CA 1.238 58.557 57.345 -0.044 0.000 1.271 202 W CB -0.706 28.732 29.460 -0.037 0.000 1.114 202 W HN 0.375 nan 8.180 nan 0.000 0.559 203 Q N 1.728 120.887 119.800 -1.069 0.000 2.061 203 Q HA -0.239 4.101 4.340 0.000 0.000 0.204 203 Q C 2.300 178.048 176.000 -0.420 0.000 0.984 203 Q CA 3.009 58.090 55.803 -1.203 0.000 0.846 203 Q CB -0.622 27.419 28.738 -1.162 0.000 0.902 203 Q HN 0.383 nan 8.270 nan 0.000 0.421 204 K N 0.156 120.416 120.400 -0.233 0.000 2.097 204 K HA -0.121 4.199 4.320 0.000 0.000 0.206 204 K C 1.977 178.589 176.600 0.020 0.000 1.049 204 K CA 1.247 57.497 56.287 -0.061 0.000 0.933 204 K CB -0.212 32.258 32.500 -0.050 0.000 0.717 204 K HN 0.206 nan 8.250 nan 0.000 0.442 205 A N 1.043 123.885 122.820 0.037 0.000 1.898 205 A HA -0.040 4.280 4.320 0.000 0.000 0.216 205 A C 2.367 180.057 177.584 0.177 0.000 1.181 205 A CA 1.655 53.749 52.037 0.095 0.000 0.620 205 A CB -0.850 18.209 19.000 0.097 0.000 0.819 205 A HN 0.492 nan 8.150 nan 0.000 0.442 206 A N 0.194 123.162 122.820 0.247 0.000 1.940 206 A HA -0.200 4.120 4.320 0.000 0.000 0.219 206 A C 1.698 179.561 177.584 0.465 0.000 1.176 206 A CA 1.927 54.246 52.037 0.470 0.000 0.631 206 A CB -0.537 18.795 19.000 0.553 0.000 0.814 206 A HN 0.477 nan 8.150 nan 0.000 0.446 207 D N -0.559 120.021 120.400 0.301 0.000 2.183 207 D HA -0.111 4.529 4.640 0.000 0.000 0.203 207 D C 2.119 178.544 176.300 0.209 0.000 0.969 207 D CA 1.198 55.343 54.000 0.241 0.000 0.842 207 D CB -0.413 40.484 40.800 0.161 0.000 0.957 207 D HN 0.623 nan 8.370 nan 0.000 0.484 208 Q N 0.399 120.305 119.800 0.178 0.000 2.124 208 Q HA -0.067 4.273 4.340 0.000 0.000 0.202 208 Q C 2.200 178.322 176.000 0.202 0.000 0.977 208 Q CA 1.398 57.290 55.803 0.149 0.000 0.850 208 Q CB -0.086 28.713 28.738 0.101 0.000 0.901 208 Q HN 0.224 nan 8.270 nan 0.000 0.429 209 A N 0.918 123.906 122.820 0.280 0.000 1.902 209 A HA -0.127 4.193 4.320 0.000 0.000 0.217 209 A C 2.260 180.159 177.584 0.526 0.000 1.181 209 A CA 1.573 53.823 52.037 0.356 0.000 0.623 209 A CB -0.737 18.483 19.000 0.366 0.000 0.818 209 A HN 0.405 nan 8.150 nan 0.000 0.443 210 A N -0.255 122.904 122.820 0.565 0.000 1.930 210 A HA 0.213 4.533 4.320 0.000 0.000 0.217 210 A C 2.450 180.247 177.584 0.355 0.000 1.175 210 A CA 1.870 54.102 52.037 0.324 0.000 0.627 210 A CB -0.856 18.119 19.000 -0.040 0.000 0.815 210 A HN 1.008 nan 8.150 nan 0.000 0.443 211 A N -0.246 122.729 122.820 0.259 0.000 1.930 211 A HA 0.036 4.356 4.320 0.000 0.000 0.217 211 A C 2.118 179.776 177.584 0.125 0.000 1.175 211 A CA 1.275 53.412 52.037 0.167 0.000 0.627 211 A CB -0.514 18.553 19.000 0.112 0.000 0.815 211 A HN 0.465 nan 8.150 nan 0.000 0.443 212 L N -1.050 120.267 121.223 0.156 0.000 2.046 212 L HA -0.169 4.171 4.340 0.000 0.000 0.208 212 L C 2.547 179.499 176.870 0.136 0.000 1.077 212 L CA 1.144 56.057 54.840 0.123 0.000 0.747 212 L CB -0.556 41.578 42.059 0.125 0.000 0.896 212 L HN 0.459 nan 8.230 nan 0.000 0.432 213 L N 0.375 121.741 121.223 0.238 0.000 2.046 213 L HA -0.148 4.192 4.340 0.000 0.000 0.208 213 L C 2.647 179.594 176.870 0.129 0.000 1.077 213 L CA 1.981 56.978 54.840 0.262 0.000 0.747 213 L CB -0.736 41.590 42.059 0.445 0.000 0.896 213 L HN 0.143 nan 8.230 nan 0.000 0.432 214 A N -0.517 122.306 122.820 0.006 0.000 1.908 214 A HA -0.198 4.122 4.320 0.000 0.000 0.218 214 A C 2.301 179.759 177.584 -0.210 0.000 1.181 214 A CA 2.167 53.966 52.037 -0.397 0.000 0.627 214 A CB -1.126 17.506 19.000 -0.614 0.000 0.818 214 A HN 0.553 nan 8.150 nan 0.000 0.445 215 E N -0.524 119.619 120.200 -0.096 0.000 2.358 215 E HA 0.482 4.832 4.350 0.000 0.000 0.195 215 E C 0.999 177.569 176.600 -0.049 0.000 1.010 215 E CA 0.705 57.064 56.400 -0.068 0.000 0.856 215 E CB -0.753 28.927 29.700 -0.033 0.000 0.795 215 E HN 1.044 nan 8.360 nan 0.000 0.504 216 A N -0.339 122.467 122.820 -0.024 0.000 2.354 216 A HA 0.585 4.905 4.320 0.000 0.000 0.269 216 A C 1.552 179.100 177.584 -0.060 0.000 1.109 216 A CA 0.465 52.493 52.037 -0.015 0.000 0.800 216 A CB 0.810 19.832 19.000 0.036 0.000 1.045 216 A HN 0.536 nan 8.150 nan 0.000 0.489 217 K N 0.679 121.005 120.400 -0.123 0.000 2.276 217 K HA 0.121 4.441 4.320 0.000 0.000 0.198 217 K C 0.493 176.864 176.600 -0.382 0.000 1.052 217 K CA 1.193 57.303 56.287 -0.296 0.000 0.984 217 K CB -0.026 32.219 32.500 -0.423 0.000 0.836 217 K HN 0.828 nan 8.250 nan 0.000 0.490 218 H N 0.330 119.419 119.070 0.031 0.000 2.439 218 H HA 0.287 4.843 4.556 0.000 0.000 0.228 218 H C -2.917 172.425 175.328 0.023 0.000 1.423 218 H CA -2.745 53.325 56.048 0.036 0.000 1.386 218 H CB 0.806 30.552 29.762 -0.026 0.000 1.641 218 H HN 0.286 nan 8.280 nan 0.000 0.508 219 P HA 0.145 nan 4.420 nan 0.000 0.274 219 P C 0.078 177.432 177.300 0.091 0.000 1.237 219 P CA -0.313 62.849 63.100 0.105 0.000 0.793 219 P CB 2.135 33.906 31.700 0.118 0.000 0.977 220 V N -0.819 119.128 119.914 0.055 0.000 3.007 220 V HA 0.580 4.700 4.120 0.000 0.000 0.311 220 V C -0.738 175.360 176.094 0.007 0.000 1.120 220 V CA -1.189 61.126 62.300 0.025 0.000 0.980 220 V CB 1.898 33.752 31.823 0.052 0.000 1.033 220 V HN 0.263 nan 8.190 nan 0.000 0.429 221 L N 2.916 124.138 121.223 -0.002 0.000 2.280 221 L HA 0.599 4.939 4.340 0.000 0.000 0.287 221 L C -0.597 176.283 176.870 0.016 0.000 1.023 221 L CA -0.703 54.138 54.840 0.001 0.000 0.819 221 L CB 1.773 43.841 42.059 0.014 0.000 1.212 221 L HN 0.562 nan 8.230 nan 0.000 0.420 222 V N 4.996 124.917 119.914 0.012 0.000 2.333 222 V HA 0.269 4.389 4.120 0.000 0.000 0.274 222 V C 0.160 176.296 176.094 0.071 0.000 1.028 222 V CA -0.522 61.820 62.300 0.070 0.000 0.851 222 V CB 1.598 33.465 31.823 0.074 0.000 1.000 222 V HN 0.396 nan 8.190 nan 0.000 0.456 223 V N 4.724 124.682 119.914 0.073 0.000 2.394 223 V HA 0.767 4.887 4.120 0.000 0.000 0.282 223 V C 0.810 176.943 176.094 0.066 0.000 1.031 223 V CA -0.139 62.195 62.300 0.056 0.000 0.881 223 V CB 1.466 33.307 31.823 0.031 0.000 0.982 223 V HN 0.883 nan 8.190 nan 0.000 0.451 224 G N 2.270 111.104 108.800 0.056 0.000 2.597 224 G HA2 0.571 4.531 3.960 0.000 0.000 0.317 224 G HA3 0.571 4.531 3.960 0.000 0.000 0.317 224 G C 0.850 175.775 174.900 0.042 0.000 1.230 224 G CA -0.025 45.099 45.100 0.040 0.000 0.996 224 G HN 0.887 nan 8.290 nan 0.000 0.490 225 A N -0.247 122.612 122.820 0.065 0.000 2.019 225 A HA 0.179 4.499 4.320 0.000 0.000 0.219 225 A C 2.635 180.281 177.584 0.103 0.000 1.164 225 A CA 2.352 54.465 52.037 0.127 0.000 0.644 225 A CB -0.708 18.421 19.000 0.215 0.000 0.805 225 A HN 1.374 nan 8.150 nan 0.000 0.449 226 A N -0.108 122.747 122.820 0.058 0.000 2.024 226 A HA 0.103 4.423 4.320 0.000 0.000 0.220 226 A C 2.394 179.997 177.584 0.032 0.000 1.164 226 A CA 1.979 54.041 52.037 0.042 0.000 0.643 226 A CB -0.794 18.215 19.000 0.016 0.000 0.806 226 A HN 1.054 nan 8.150 nan 0.000 0.451 227 A N -0.246 122.588 122.820 0.023 0.000 1.969 227 A HA 0.015 4.335 4.320 0.000 0.000 0.218 227 A C 2.023 179.606 177.584 -0.002 0.000 1.169 227 A CA 1.328 53.373 52.037 0.012 0.000 0.635 227 A CB -0.496 18.511 19.000 0.012 0.000 0.810 227 A HN 0.513 nan 8.150 nan 0.000 0.445 228 I N -1.085 119.475 120.570 -0.015 0.000 2.439 228 I HA -0.182 3.989 4.170 0.000 0.000 0.251 228 I C 2.624 178.754 176.117 0.021 0.000 1.139 228 I CA 0.880 62.142 61.300 -0.064 0.000 1.438 228 I CB -0.267 37.585 38.000 -0.247 0.000 1.085 228 I HN 0.240 nan 8.210 nan 0.000 0.427 229 R N -0.132 120.416 120.500 0.080 0.000 2.148 229 R HA -0.063 4.278 4.340 0.000 0.000 0.223 229 R C 2.365 178.693 176.300 0.048 0.000 1.088 229 R CA 1.072 57.227 56.100 0.092 0.000 0.985 229 R CB -0.271 30.083 30.300 0.090 0.000 0.880 229 R HN 0.176 nan 8.270 nan 0.000 0.451 230 S N -0.469 115.248 115.700 0.028 0.000 2.522 230 S HA 0.014 4.484 4.470 0.000 0.000 0.227 230 S C 1.057 175.666 174.600 0.015 0.000 0.986 230 S CA 0.837 59.045 58.200 0.015 0.000 0.929 230 S CB 0.039 63.242 63.200 0.006 0.000 0.769 230 S HN 0.636 nan 8.310 nan 0.000 0.529 231 G N 0.283 109.091 108.800 0.014 0.000 2.182 231 G HA2 -0.170 3.790 3.960 0.000 0.000 0.248 231 G HA3 -0.170 3.790 3.960 0.000 0.000 0.248 231 G C 0.361 175.263 174.900 0.004 0.000 1.042 231 G CA 0.185 45.290 45.100 0.008 0.000 0.775 231 G HN 0.874 nan 8.290 nan 0.000 0.501 232 A N -0.982 121.839 122.820 0.001 0.000 2.465 232 A HA 0.679 4.999 4.320 0.000 0.000 0.255 232 A C 2.032 179.614 177.584 -0.004 0.000 1.274 232 A CA 1.242 53.283 52.037 0.008 0.000 0.920 232 A CB 0.281 19.296 19.000 0.026 0.000 1.033 232 A HN 0.873 nan 8.150 nan 0.000 0.516 233 V N 0.995 120.894 119.914 -0.024 0.000 2.270 233 V HA -0.114 4.006 4.120 0.000 0.000 0.245 233 V C -0.163 175.913 176.094 -0.031 0.000 1.043 233 V CA 2.487 64.763 62.300 -0.040 0.000 1.014 233 V CB -1.150 30.630 31.823 -0.071 0.000 0.645 233 V HN 0.356 nan 8.190 nan 0.000 0.447 234 P HA -0.197 nan 4.420 nan 0.000 0.216 234 P C 1.619 178.914 177.300 -0.007 0.000 1.153 234 P CA 2.222 65.313 63.100 -0.015 0.000 0.858 234 P CB -0.163 31.532 31.700 -0.008 0.000 0.789 235 A N -1.152 121.668 122.820 -0.000 0.000 1.930 235 A HA -0.132 4.188 4.320 0.000 0.000 0.217 235 A C 2.222 179.815 177.584 0.014 0.000 1.175 235 A CA 1.236 53.278 52.037 0.008 0.000 0.627 235 A CB -1.513 17.494 19.000 0.013 0.000 0.815 235 A HN 0.112 nan 8.150 nan 0.000 0.443 236 I N -0.863 119.716 120.570 0.014 0.000 2.252 236 I HA -0.242 3.928 4.170 0.000 0.000 0.245 236 I C 2.669 178.789 176.117 0.006 0.000 1.102 236 I CA 1.595 62.909 61.300 0.023 0.000 1.385 236 I CB -0.247 37.764 38.000 0.019 0.000 1.064 236 I HN 0.387 nan 8.210 nan 0.000 0.414 237 R N 1.289 121.777 120.500 -0.021 0.000 2.083 237 R HA -0.210 4.130 4.340 0.000 0.000 0.237 237 R C 2.333 178.630 176.300 -0.005 0.000 1.137 237 R CA 1.810 57.883 56.100 -0.045 0.000 0.951 237 R CB -0.303 29.954 30.300 -0.072 0.000 0.851 237 R HN 0.348 nan 8.270 nan 0.000 0.434 238 A N 1.148 123.972 122.820 0.007 0.000 1.898 238 A HA -0.144 4.176 4.320 0.000 0.000 0.216 238 A C 2.065 179.665 177.584 0.025 0.000 1.181 238 A CA 1.273 53.322 52.037 0.020 0.000 0.620 238 A CB -0.631 18.376 19.000 0.011 0.000 0.819 238 A HN 0.422 nan 8.150 nan 0.000 0.442 239 L N -0.067 121.173 121.223 0.029 0.000 2.012 239 L HA -0.116 4.224 4.340 0.000 0.000 0.210 239 L C 2.610 179.515 176.870 0.059 0.000 1.073 239 L CA 2.483 57.351 54.840 0.046 0.000 0.748 239 L CB -0.807 41.301 42.059 0.082 0.000 0.891 239 L HN 0.323 nan 8.230 nan 0.000 0.431 240 A N -0.967 121.885 122.820 0.054 0.000 1.898 240 A HA -0.200 4.120 4.320 0.000 0.000 0.216 240 A C 2.181 179.807 177.584 0.070 0.000 1.181 240 A CA 1.712 53.782 52.037 0.055 0.000 0.620 240 A CB -0.645 18.369 19.000 0.023 0.000 0.819 240 A HN 0.623 nan 8.150 nan 0.000 0.442 241 E N -0.860 119.388 120.200 0.081 0.000 2.072 241 E HA -0.186 4.164 4.350 0.000 0.000 0.191 241 E C 2.301 178.942 176.600 0.069 0.000 0.985 241 E CA 1.176 57.639 56.400 0.105 0.000 0.801 241 E CB -0.143 29.632 29.700 0.124 0.000 0.750 241 E HN 0.606 nan 8.360 nan 0.000 0.452 242 R N 0.592 121.123 120.500 0.051 0.000 2.092 242 R HA -0.067 4.273 4.340 0.000 0.000 0.231 242 R C 1.715 178.042 176.300 0.045 0.000 1.119 242 R CA 1.036 57.159 56.100 0.037 0.000 0.970 242 R CB 0.069 30.379 30.300 0.017 0.000 0.864 242 R HN 0.166 nan 8.270 nan 0.000 0.440 243 L N 0.364 121.621 121.223 0.057 0.000 2.640 243 L HA 0.148 4.488 4.340 0.000 0.000 0.230 243 L C 0.041 176.958 176.870 0.078 0.000 1.123 243 L CA -0.228 54.657 54.840 0.074 0.000 0.900 243 L CB 0.098 42.213 42.059 0.092 0.000 1.146 243 L HN 0.297 nan 8.230 nan 0.000 0.484 244 N N 1.479 120.220 118.700 0.069 0.000 2.738 244 N HA -0.213 4.527 4.740 0.000 0.000 0.249 244 N C -0.636 174.907 175.510 0.055 0.000 1.047 244 N CA 0.462 53.551 53.050 0.065 0.000 0.707 244 N CB -1.189 37.338 38.487 0.067 0.000 0.937 244 N HN 0.325 nan 8.380 nan 0.000 0.545 245 I N 0.596 121.192 120.570 0.043 0.000 2.321 245 I HA 0.350 4.520 4.170 0.000 0.000 0.291 245 I C -1.869 174.197 176.117 -0.084 0.000 0.998 245 I CA -2.092 59.217 61.300 0.014 0.000 1.227 245 I CB 1.408 39.444 38.000 0.060 0.000 1.368 245 I HN 0.008 nan 8.210 nan 0.000 0.466 246 P HA 0.043 nan 4.420 nan 0.000 0.266 246 P C -0.743 176.387 177.300 -0.284 0.000 1.195 246 P CA -0.083 62.686 63.100 -0.553 0.000 0.768 246 P CB 0.615 31.572 31.700 -1.238 0.000 0.838 247 V N 5.209 125.001 119.914 -0.202 0.000 2.357 247 V HA 0.356 4.476 4.120 0.000 0.000 0.284 247 V C 0.395 176.485 176.094 -0.008 0.000 1.018 247 V CA -0.317 61.942 62.300 -0.068 0.000 0.841 247 V CB 0.915 32.713 31.823 -0.043 0.000 0.991 247 V HN 0.396 nan 8.190 nan 0.000 0.437 248 I N 4.482 125.071 120.570 0.033 0.000 2.460 248 I HA 0.633 4.803 4.170 0.000 0.000 0.298 248 I C 0.468 176.651 176.117 0.111 0.000 0.989 248 I CA -0.134 61.223 61.300 0.095 0.000 1.173 248 I CB 2.429 40.507 38.000 0.130 0.000 1.338 248 I HN 0.754 nan 8.210 nan 0.000 0.456 249 T N 0.051 114.679 114.554 0.122 0.000 2.930 249 T HA 0.554 4.904 4.350 0.000 0.000 0.290 249 T C 0.108 174.906 174.700 0.164 0.000 1.052 249 T CA -0.738 61.436 62.100 0.123 0.000 1.017 249 T CB 1.602 70.527 68.868 0.096 0.000 1.137 249 T HN 0.666 nan 8.240 nan 0.000 0.511 250 T N -0.060 114.582 114.554 0.147 0.000 2.667 250 T HA 0.163 4.513 4.350 0.000 0.000 0.305 250 T C 0.915 175.778 174.700 0.272 0.000 1.022 250 T CA -0.402 61.786 62.100 0.146 0.000 0.995 250 T CB -0.149 68.747 68.868 0.047 0.000 1.026 250 T HN 0.518 nan 8.240 nan 0.000 0.527 251 Y N 0.052 120.413 120.300 0.101 0.000 2.165 251 Y HA 0.001 4.551 4.550 0.000 0.000 0.286 251 Y C 2.323 178.362 175.900 0.230 0.000 1.155 251 Y CA 0.503 58.697 58.100 0.157 0.000 1.164 251 Y CB -1.184 37.352 38.460 0.125 0.000 0.978 251 Y HN 0.474 nan 8.280 nan 0.000 0.513 252 I N -0.812 119.958 120.570 0.332 0.000 3.419 252 I HA 0.017 4.187 4.170 0.000 0.000 0.286 252 I C 1.907 178.201 176.117 0.295 0.000 1.268 252 I CA 0.812 62.294 61.300 0.303 0.000 1.414 252 I CB -0.241 37.894 38.000 0.225 0.000 1.074 252 I HN 0.035 nan 8.210 nan 0.000 0.457 253 A N 0.374 123.316 122.820 0.204 0.000 2.423 253 A HA 0.205 4.525 4.320 0.000 0.000 0.246 253 A C 0.672 178.305 177.584 0.082 0.000 1.278 253 A CA -0.316 51.782 52.037 0.101 0.000 0.903 253 A CB -0.314 18.727 19.000 0.068 0.000 0.997 253 A HN 0.133 nan 8.150 nan 0.000 0.510 254 K N -0.193 120.294 120.400 0.145 0.000 2.484 254 K HA 0.334 4.655 4.320 0.000 0.000 0.280 254 K C 1.123 177.767 176.600 0.074 0.000 1.013 254 K CA 1.076 57.425 56.287 0.103 0.000 1.029 254 K CB 0.195 32.764 32.500 0.115 0.000 0.902 254 K HN 0.635 nan 8.250 nan 0.000 0.481 255 G N 0.879 109.698 108.800 0.030 0.000 2.163 255 G HA2 -0.272 3.688 3.960 0.000 0.000 0.213 255 G HA3 -0.272 3.688 3.960 0.000 0.000 0.213 255 G C 0.643 175.519 174.900 -0.039 0.000 0.991 255 G CA 0.139 45.243 45.100 0.007 0.000 0.653 255 G HN 0.527 nan 8.290 nan 0.000 0.518 256 V N -1.685 118.197 119.914 -0.054 0.000 2.809 256 V HA 0.447 4.567 4.120 0.000 0.000 0.256 256 V C 1.268 177.308 176.094 -0.090 0.000 1.080 256 V CA 1.254 63.506 62.300 -0.080 0.000 1.102 256 V CB -0.271 31.508 31.823 -0.074 0.000 0.705 256 V HN 0.416 nan 8.190 nan 0.000 0.475 257 L N 0.654 121.824 121.223 -0.089 0.000 2.334 257 L HA 0.581 4.921 4.340 0.000 0.000 0.273 257 L C -2.401 174.438 176.870 -0.052 0.000 1.013 257 L CA -2.217 52.539 54.840 -0.139 0.000 0.816 257 L CB 1.903 43.830 42.059 -0.220 0.000 1.278 257 L HN -0.010 nan 8.230 nan 0.000 0.431 258 P HA -0.002 nan 4.420 nan 0.000 0.269 258 P C -0.600 176.741 177.300 0.068 0.000 1.217 258 P CA -0.349 62.774 63.100 0.038 0.000 0.783 258 P CB 0.387 32.130 31.700 0.071 0.000 0.898 259 V N 1.628 121.576 119.914 0.057 0.000 2.585 259 V HA 0.291 4.411 4.120 0.000 0.000 0.296 259 V C 1.680 177.818 176.094 0.072 0.000 1.035 259 V CA 1.802 64.137 62.300 0.059 0.000 1.084 259 V CB -0.409 31.441 31.823 0.045 0.000 0.953 259 V HN 1.044 nan 8.190 nan 0.000 0.483 260 G N 2.723 111.567 108.800 0.074 0.000 2.234 260 G HA2 -0.246 3.714 3.960 0.000 0.000 0.235 260 G HA3 -0.246 3.714 3.960 0.000 0.000 0.235 260 G C 0.411 175.362 174.900 0.085 0.000 0.997 260 G CA 0.240 45.377 45.100 0.062 0.000 0.623 260 G HN 0.909 nan 8.290 nan 0.000 0.514 261 H N 2.518 121.605 119.070 0.027 0.000 3.001 261 H HA 0.153 4.710 4.556 0.000 0.000 0.334 261 H C 1.938 177.297 175.328 0.052 0.000 1.034 261 H CA 1.291 57.360 56.048 0.034 0.000 1.420 261 H CB 0.638 30.420 29.762 0.032 0.000 1.405 261 H HN 0.696 nan 8.280 nan 0.000 0.593 262 E N 4.021 124.172 120.200 -0.081 0.000 2.265 262 E HA -0.125 4.225 4.350 0.000 0.000 0.196 262 E C 1.364 178.116 176.600 0.253 0.000 0.996 262 E CA 0.892 57.317 56.400 0.042 0.000 0.832 262 E CB 0.093 29.759 29.700 -0.056 0.000 0.756 262 E HN 0.573 nan 8.360 nan 0.000 0.491 263 L N 0.712 122.187 121.223 0.420 0.000 2.607 263 L HA 0.147 4.487 4.340 0.000 0.000 0.228 263 L C 0.883 177.903 176.870 0.251 0.000 1.123 263 L CA -0.402 54.613 54.840 0.292 0.000 0.890 263 L CB -0.076 42.110 42.059 0.212 0.000 1.103 263 L HN 0.033 nan 8.230 nan 0.000 0.468 264 N N 0.248 119.129 118.700 0.303 0.000 2.819 264 N HA -0.073 4.667 4.740 0.000 0.000 0.284 264 N C 0.493 176.161 175.510 0.262 0.000 1.196 264 N CA 0.108 53.275 53.050 0.195 0.000 1.114 264 N CB 0.077 38.650 38.487 0.142 0.000 1.437 264 N HN 0.077 nan 8.380 nan 0.000 0.518 265 Y N 1.059 121.352 120.300 -0.012 0.000 2.578 265 Y HA 0.202 4.752 4.550 0.000 0.000 0.297 265 Y C 1.777 177.647 175.900 -0.050 0.000 1.176 265 Y CA 0.314 58.384 58.100 -0.050 0.000 1.315 265 Y CB -0.439 37.969 38.460 -0.086 0.000 1.031 265 Y HN 0.534 nan 8.280 nan 0.000 0.524 266 G N -0.456 108.408 108.800 0.108 0.000 2.661 266 G HA2 0.165 4.125 3.960 0.000 0.000 0.685 266 G HA3 0.165 4.125 3.960 0.000 0.000 0.685 266 G C -0.673 174.258 174.900 0.052 0.000 1.298 266 G CA -0.799 44.324 45.100 0.038 0.000 0.855 266 G HN 0.479 nan 8.290 nan 0.000 0.560 267 A N -0.911 121.920 122.820 0.020 0.000 2.302 267 A HA 0.945 5.265 4.320 0.000 0.000 0.285 267 A C 0.808 178.437 177.584 0.076 0.000 1.105 267 A CA 0.369 52.448 52.037 0.070 0.000 0.816 267 A CB 1.104 20.133 19.000 0.048 0.000 1.067 267 A HN 2.420 nan 8.150 nan 0.000 0.489 268 V N -0.367 119.657 119.914 0.182 0.000 2.769 268 V HA 0.925 5.045 4.120 0.000 0.000 0.312 268 V C -0.161 176.097 176.094 0.273 0.000 1.058 268 V CA 0.206 62.630 62.300 0.205 0.000 0.952 268 V CB 1.407 33.428 31.823 0.329 0.000 1.019 268 V HN 1.278 nan 8.190 nan 0.000 0.445 269 T N 1.952 116.635 114.554 0.215 0.000 2.864 269 T HA 0.619 4.969 4.350 0.000 0.000 0.299 269 T C 0.995 175.791 174.700 0.161 0.000 1.166 269 T CA 0.217 62.508 62.100 0.318 0.000 1.007 269 T CB 1.546 70.650 68.868 0.393 0.000 1.219 269 T HN 1.315 nan 8.240 nan 0.000 0.506 270 G N 0.579 109.427 108.800 0.080 0.000 2.448 270 G HA2 0.109 4.069 3.960 0.000 0.000 0.218 270 G HA3 0.109 4.069 3.960 0.000 0.000 0.218 270 G C 0.086 174.853 174.900 -0.221 0.000 1.135 270 G CA 0.669 45.682 45.100 -0.145 0.000 0.784 270 G HN 0.641 nan 8.290 nan 0.000 0.543 274 G N 1.614 110.442 108.800 0.047 0.000 2.476 274 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 274 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 274 G C 1.635 176.614 174.900 0.132 0.000 1.164 274 G CA 1.144 46.302 45.100 0.096 0.000 0.768 274 G HN 0.345 nan 8.290 nan 0.000 0.560 275 I N -0.087 120.511 120.570 0.047 0.000 2.353 275 I HA -0.006 4.164 4.170 0.000 0.000 0.248 275 I C 2.374 178.428 176.117 -0.105 0.000 1.119 275 I CA 0.657 61.937 61.300 -0.032 0.000 1.417 275 I CB -0.026 37.741 38.000 -0.388 0.000 1.078 275 I HN 0.107 nan 8.210 nan 0.000 0.421 276 L N -0.094 121.029 121.223 -0.166 0.000 2.529 276 L HA 0.118 4.458 4.340 0.000 0.000 0.223 276 L C 0.275 177.213 176.870 0.113 0.000 1.113 276 L CA 0.132 54.826 54.840 -0.243 0.000 0.861 276 L CB -0.255 41.683 42.059 -0.202 0.000 1.012 276 L HN 0.282 nan 8.230 nan 0.000 0.461 277 N N 0.715 119.515 118.700 0.167 0.000 2.705 277 N HA -0.254 4.486 4.740 0.000 0.000 0.255 277 N C -0.713 174.953 175.510 0.260 0.000 1.008 277 N CA 0.933 54.102 53.050 0.199 0.000 0.742 277 N CB -0.908 37.710 38.487 0.217 0.000 0.906 277 N HN 0.190 nan 8.380 nan 0.000 0.541 278 F N 0.130 120.092 119.950 0.020 0.000 2.672 278 F HA 0.311 4.838 4.527 0.000 0.000 0.311 278 F C -2.320 173.481 175.800 0.002 0.000 1.113 278 F CA -1.587 56.418 58.000 0.009 0.000 0.996 278 F CB 1.732 40.727 39.000 -0.008 0.000 1.286 278 F HN -0.181 nan 8.300 nan 0.000 0.441 279 P HA 0.249 nan 4.420 nan 0.000 0.231 279 P C -0.213 177.090 177.300 0.005 0.000 1.811 279 P CA 0.238 63.238 63.100 -0.166 0.000 1.051 279 P CB 0.543 32.088 31.700 -0.259 0.000 1.951 280 A N 2.495 125.439 122.820 0.207 0.000 1.897 280 A HA -0.091 4.229 4.320 0.000 0.000 0.215 280 A C 2.055 179.734 177.584 0.159 0.000 1.181 280 A CA 1.024 53.219 52.037 0.263 0.000 0.620 280 A CB -1.067 18.044 19.000 0.186 0.000 0.821 280 A HN 0.342 nan 8.150 nan 0.000 0.443 281 L N -0.651 120.664 121.223 0.152 0.000 2.056 281 L HA -0.209 4.131 4.340 0.000 0.000 0.207 281 L C 2.900 179.928 176.870 0.263 0.000 1.078 281 L CA 1.136 56.121 54.840 0.241 0.000 0.749 281 L CB -0.460 41.725 42.059 0.211 0.000 0.901 281 L HN 0.388 nan 8.230 nan 0.000 0.433 282 Q N -0.441 119.451 119.800 0.154 0.000 2.124 282 Q HA -0.064 4.276 4.340 0.000 0.000 0.202 282 Q C 1.147 177.219 176.000 0.120 0.000 0.977 282 Q CA 0.998 56.876 55.803 0.125 0.000 0.850 282 Q CB -0.596 28.171 28.738 0.048 0.000 0.901 282 Q HN 0.456 nan 8.270 nan 0.000 0.429 286 A N 1.314 124.249 122.820 0.191 0.000 1.892 286 A HA -0.136 4.184 4.320 0.000 0.000 0.218 286 A C -0.582 177.028 177.584 0.043 0.000 1.188 286 A CA 2.545 54.645 52.037 0.106 0.000 0.631 286 A CB -1.905 17.141 19.000 0.077 0.000 0.822 286 A HN 0.252 nan 8.150 nan 0.000 0.447 287 P HA 0.168 nan 4.420 nan 0.000 0.255 287 P C 0.005 177.253 177.300 -0.086 0.000 1.248 287 P CA 0.150 63.208 63.100 -0.069 0.000 0.807 287 P CB -0.101 31.517 31.700 -0.137 0.000 1.150 288 V N 3.264 123.095 119.914 -0.139 0.000 2.655 288 V HA 0.004 4.124 4.120 0.000 0.000 0.300 288 V C 1.450 177.575 176.094 0.050 0.000 1.044 288 V CA 0.950 63.218 62.300 -0.054 0.000 1.095 288 V CB 0.574 32.410 31.823 0.021 0.000 0.952 288 V HN 0.201 nan 8.190 nan 0.000 0.485 289 D N 2.895 123.333 120.400 0.065 0.000 2.469 289 D HA 0.173 4.813 4.640 0.000 0.000 0.213 289 D C -0.179 176.145 176.300 0.039 0.000 1.135 289 D CA -0.100 53.932 54.000 0.054 0.000 0.834 289 D CB 0.673 41.500 40.800 0.045 0.000 1.009 289 D HN 0.317 nan 8.370 nan 0.000 0.507 290 L N 0.911 122.154 121.223 0.033 0.000 2.516 290 L HA 0.491 4.831 4.340 0.000 0.000 0.267 290 L C -1.877 174.972 176.870 -0.035 0.000 0.957 290 L CA -0.885 53.961 54.840 0.010 0.000 0.860 290 L CB 2.259 44.346 42.059 0.047 0.000 1.265 290 L HN -0.173 nan 8.230 nan 0.000 0.403 291 V N 6.324 126.153 119.914 -0.143 0.000 2.357 291 V HA 0.470 4.590 4.120 0.000 0.000 0.284 291 V C -0.308 175.623 176.094 -0.273 0.000 1.018 291 V CA -0.396 61.733 62.300 -0.285 0.000 0.841 291 V CB 1.477 32.869 31.823 -0.718 0.000 0.991 291 V HN 0.594 nan 8.190 nan 0.000 0.437 292 L N 5.110 126.223 121.223 -0.182 0.000 2.272 292 L HA 0.390 4.730 4.340 0.000 0.000 0.284 292 L C 0.774 177.538 176.870 -0.178 0.000 1.045 292 L CA -0.131 54.610 54.840 -0.165 0.000 0.842 292 L CB 1.411 43.413 42.059 -0.095 0.000 1.224 292 L HN 0.777 nan 8.230 nan 0.000 0.430 293 T N 0.184 114.611 114.554 -0.211 0.000 2.855 293 T HA 0.359 4.709 4.350 0.000 0.000 0.290 293 T C 0.093 174.778 174.700 -0.025 0.000 0.941 293 T CA -0.678 61.364 62.100 -0.097 0.000 1.030 293 T CB 0.147 68.944 68.868 -0.117 0.000 0.935 293 T HN 0.128 nan 8.240 nan 0.000 0.564 294 V N 3.861 123.763 119.914 -0.019 0.000 2.372 294 V HA 0.560 4.680 4.120 0.000 0.000 0.261 294 V C 1.429 177.534 176.094 0.019 0.000 1.055 294 V CA 0.200 62.478 62.300 -0.037 0.000 0.930 294 V CB -0.097 31.724 31.823 -0.003 0.000 1.031 294 V HN 1.287 nan 8.190 nan 0.000 0.479 295 G N 4.003 112.805 108.800 0.004 0.000 2.256 295 G HA2 -0.310 3.650 3.960 0.000 0.000 0.272 295 G HA3 -0.310 3.650 3.960 0.000 0.000 0.272 295 G C -0.189 174.758 174.900 0.077 0.000 1.076 295 G CA -0.049 45.067 45.100 0.027 0.000 0.882 295 G HN 0.863 nan 8.290 nan 0.000 0.497 296 Y N 0.962 121.272 120.300 0.017 0.000 2.597 296 Y HA 0.455 5.005 4.550 0.000 0.000 0.336 296 Y C 0.246 176.201 175.900 0.093 0.000 1.216 296 Y CA 0.443 58.592 58.100 0.081 0.000 1.463 296 Y CB 1.046 39.607 38.460 0.168 0.000 1.303 296 Y HN 0.240 nan 8.280 nan 0.000 0.576 297 D N 4.640 124.590 120.400 -0.750 0.000 2.764 297 D HA 0.010 4.650 4.640 0.000 0.000 0.227 297 D C -0.198 175.719 176.300 -0.640 0.000 1.347 297 D CA -0.505 53.217 54.000 -0.465 0.000 0.953 297 D CB 0.350 41.026 40.800 -0.207 0.000 1.476 297 D HN 0.572 nan 8.370 nan 0.000 0.585 298 Y N 3.667 123.666 120.300 -0.500 0.000 2.256 298 Y HA -0.112 4.438 4.550 0.000 0.000 0.288 298 Y C 1.910 177.693 175.900 -0.196 0.000 1.155 298 Y CA 2.181 60.136 58.100 -0.242 0.000 1.203 298 Y CB -0.121 38.353 38.460 0.023 0.000 0.980 298 Y HN 0.530 nan 8.280 nan 0.000 0.530 299 A N 0.012 122.745 122.820 -0.144 0.000 1.972 299 A HA -0.185 4.135 4.320 0.000 0.000 0.219 299 A C 1.992 179.430 177.584 -0.243 0.000 1.169 299 A CA 1.611 53.533 52.037 -0.192 0.000 0.635 299 A CB -0.625 18.314 19.000 -0.102 0.000 0.810 299 A HN 0.605 nan 8.150 nan 0.000 0.446 300 E N -1.126 118.920 120.200 -0.257 0.000 2.515 300 E HA -0.111 4.239 4.350 0.000 0.000 0.201 300 E C 0.134 176.489 176.600 -0.408 0.000 1.071 300 E CA 0.468 56.696 56.400 -0.287 0.000 0.880 300 E CB -0.090 29.473 29.700 -0.228 0.000 0.828 300 E HN 0.520 nan 8.360 nan 0.000 0.540 301 D N -0.404 119.768 120.400 -0.380 0.000 3.090 301 D HA -0.170 4.470 4.640 0.000 0.000 0.215 301 D C -0.992 175.143 176.300 -0.274 0.000 1.140 301 D CA 0.301 54.076 54.000 -0.374 0.000 0.937 301 D CB -0.923 39.653 40.800 -0.372 0.000 1.108 301 D HN 0.095 nan 8.370 nan 0.000 0.420 302 L N 1.668 122.784 121.223 -0.179 0.000 2.288 302 L HA 0.449 4.789 4.340 0.000 0.000 0.283 302 L C 0.174 177.109 176.870 0.108 0.000 1.072 302 L CA -0.075 54.767 54.840 0.005 0.000 0.862 302 L CB 0.259 42.385 42.059 0.110 0.000 1.245 302 L HN 0.007 nan 8.230 nan 0.000 0.432 303 R N 5.069 125.544 120.500 -0.042 0.000 2.573 303 R HA 0.433 4.773 4.340 0.000 0.000 0.272 303 R C -1.558 174.365 176.300 -0.629 0.000 1.009 303 R CA -1.642 54.403 56.100 -0.092 0.000 1.059 303 R CB 0.232 30.487 30.300 -0.075 0.000 1.112 303 R HN 0.332 nan 8.270 nan 0.000 0.517 304 P HA -0.205 nan 4.420 nan 0.000 0.216 304 P C 0.318 176.796 177.300 -1.370 0.000 1.150 304 P CA 1.261 63.167 63.100 -1.990 0.000 0.843 304 P CB 0.043 31.083 31.700 -1.100 0.000 0.787 308 Q N 2.986 122.575 119.800 -0.352 0.000 3.026 308 Q HA 0.221 4.561 4.340 0.000 0.000 0.258 308 Q C -0.386 175.576 176.000 -0.064 0.000 1.388 308 Q CA 0.488 56.208 55.803 -0.139 0.000 1.000 308 Q CB 0.158 28.753 28.738 -0.238 0.000 1.634 308 Q HN -0.114 nan 8.270 nan 0.000 0.571 309 K N 0.431 120.846 120.400 0.025 0.000 2.427 309 K HA 0.577 4.897 4.320 0.000 0.000 0.252 309 K C 0.412 177.064 176.600 0.086 0.000 0.931 309 K CA -0.096 56.227 56.287 0.060 0.000 0.793 309 K CB 2.018 34.594 32.500 0.127 0.000 1.211 309 K HN 0.467 nan 8.250 nan 0.000 0.426 310 G N 2.785 111.619 108.800 0.057 0.000 2.536 310 G HA2 -0.323 3.638 3.960 0.000 0.000 0.280 310 G HA3 -0.323 3.638 3.960 0.000 0.000 0.280 310 G C 0.261 175.190 174.900 0.048 0.000 1.152 310 G CA 0.189 45.320 45.100 0.052 0.000 0.970 310 G HN 0.769 nan 8.290 nan 0.000 0.549 311 I N -0.354 120.248 120.570 0.054 0.000 2.945 311 I HA 0.622 4.792 4.170 0.000 0.000 0.292 311 I C 0.356 176.508 176.117 0.057 0.000 1.093 311 I CA -0.710 60.619 61.300 0.048 0.000 1.336 311 I CB 0.551 38.579 38.000 0.047 0.000 1.435 311 I HN 0.413 nan 8.210 nan 0.000 0.593 312 E N 2.902 123.131 120.200 0.049 0.000 2.392 312 E HA 0.208 4.558 4.350 0.000 0.000 0.264 312 E C -0.896 175.743 176.600 0.065 0.000 1.024 312 E CA 0.155 56.587 56.400 0.055 0.000 0.903 312 E CB 0.860 30.584 29.700 0.041 0.000 0.963 312 E HN 0.454 nan 8.360 nan 0.000 0.432 313 K N 2.059 122.510 120.400 0.084 0.000 2.316 313 K HA 0.310 4.630 4.320 0.000 0.000 0.251 313 K C -0.179 176.461 176.600 0.066 0.000 0.934 313 K CA -0.798 55.535 56.287 0.076 0.000 0.802 313 K CB 1.691 34.250 32.500 0.098 0.000 1.171 313 K HN 0.060 nan 8.250 nan 0.000 0.426 314 K N 1.410 121.835 120.400 0.041 0.000 2.154 314 K HA 0.294 4.614 4.320 0.000 0.000 0.264 314 K C -0.129 176.474 176.600 0.005 0.000 1.008 314 K CA -0.295 56.013 56.287 0.035 0.000 0.937 314 K CB 1.368 33.888 32.500 0.032 0.000 1.002 314 K HN 0.834 nan 8.250 nan 0.000 0.469 315 T N -2.346 112.217 114.554 0.014 0.000 2.876 315 T HA 0.547 4.897 4.350 0.000 0.000 0.289 315 T C -0.450 174.228 174.700 -0.036 0.000 1.014 315 T CA -0.877 61.207 62.100 -0.026 0.000 0.986 315 T CB 1.421 70.358 68.868 0.116 0.000 1.021 315 T HN 0.125 nan 8.240 nan 0.000 0.458 316 V N 2.535 122.397 119.914 -0.087 0.000 2.443 316 V HA 0.561 4.681 4.120 0.000 0.000 0.293 316 V C 0.108 176.107 176.094 -0.157 0.000 1.021 316 V CA -0.959 61.268 62.300 -0.120 0.000 0.848 316 V CB 1.508 33.258 31.823 -0.123 0.000 0.998 316 V HN 0.976 nan 8.190 nan 0.000 0.424 317 R N 4.388 124.779 120.500 -0.182 0.000 2.265 317 R HA 0.723 5.063 4.340 0.000 0.000 0.319 317 R C -1.409 174.748 176.300 -0.238 0.000 1.006 317 R CA -0.481 55.524 56.100 -0.159 0.000 0.880 317 R CB 0.919 31.063 30.300 -0.260 0.000 1.077 317 R HN 0.667 nan 8.270 nan 0.000 0.454 318 I N 2.651 123.073 120.570 -0.247 0.000 2.418 318 I HA 0.328 4.498 4.170 0.000 0.000 0.287 318 I C -0.570 175.446 176.117 -0.169 0.000 1.008 318 I CA -0.085 60.998 61.300 -0.362 0.000 1.104 318 I CB 2.093 39.672 38.000 -0.702 0.000 1.264 318 I HN 0.517 nan 8.210 nan 0.000 0.438 319 S N 6.543 122.156 115.700 -0.145 0.000 2.542 319 S HA 0.523 4.994 4.470 0.000 0.000 0.276 319 S C -2.677 171.865 174.600 -0.098 0.000 1.148 319 S CA -0.898 57.259 58.200 -0.072 0.000 0.886 319 S CB 2.017 65.219 63.200 0.002 0.000 1.109 319 S HN 0.380 nan 8.310 nan 0.000 0.458 320 P HA 0.206 nan 4.420 nan 0.000 0.249 320 P C -0.204 177.063 177.300 -0.056 0.000 1.593 320 P CA 0.069 63.115 63.100 -0.090 0.000 0.896 320 P CB -0.826 30.828 31.700 -0.077 0.000 1.581 321 T N -4.089 110.440 114.554 -0.041 0.000 2.900 321 T HA 0.392 4.742 4.350 0.000 0.000 0.303 321 T C -0.312 174.374 174.700 -0.022 0.000 1.142 321 T CA -0.746 61.341 62.100 -0.022 0.000 1.007 321 T CB 1.235 70.102 68.868 -0.002 0.000 1.156 321 T HN -0.227 nan 8.240 nan 0.000 0.490 322 V N 2.748 122.651 119.914 -0.018 0.000 2.740 322 V HA 0.209 4.329 4.120 0.000 0.000 0.303 322 V C 1.030 177.116 176.094 -0.013 0.000 1.054 322 V CA -0.566 61.722 62.300 -0.020 0.000 1.106 322 V CB 0.447 32.261 31.823 -0.016 0.000 0.957 322 V HN 0.997 nan 8.190 nan 0.000 0.486 323 N N 6.451 125.134 118.700 -0.029 0.000 2.434 323 N HA 0.068 4.808 4.740 0.000 0.000 0.268 323 N C -1.046 174.456 175.510 -0.014 0.000 1.256 323 N CA -1.359 51.676 53.050 -0.024 0.000 0.914 323 N CB 0.969 39.405 38.487 -0.085 0.000 1.088 323 N HN 0.430 nan 8.380 nan 0.000 0.478 324 P HA 0.070 nan 4.420 nan 0.000 0.245 324 P C 0.201 177.489 177.300 -0.019 0.000 1.206 324 P CA 0.641 63.743 63.100 0.004 0.000 0.781 324 P CB -0.002 31.715 31.700 0.029 0.000 0.994 325 I N -3.729 116.815 120.570 -0.044 0.000 2.944 325 I HA 0.401 4.571 4.170 0.000 0.000 0.334 325 I C -1.952 174.106 176.117 -0.099 0.000 1.420 325 I CA -2.426 58.809 61.300 -0.109 0.000 0.856 325 I CB 1.186 39.020 38.000 -0.276 0.000 2.091 325 I HN -0.342 nan 8.210 nan 0.000 0.571 326 P HA -0.194 nan 4.420 nan 0.000 0.225 326 P C 1.450 178.712 177.300 -0.062 0.000 1.148 326 P CA 1.129 64.185 63.100 -0.073 0.000 0.779 326 P CB 0.101 31.762 31.700 -0.065 0.000 0.780 327 R N 0.285 120.744 120.500 -0.068 0.000 2.115 327 R HA -0.040 4.300 4.340 0.000 0.000 0.230 327 R C 1.591 177.850 176.300 -0.068 0.000 1.111 327 R CA 1.233 57.297 56.100 -0.059 0.000 0.976 327 R CB -0.158 30.110 30.300 -0.055 0.000 0.870 327 R HN 0.058 nan 8.270 nan 0.000 0.445 328 V N -0.924 118.928 119.914 -0.105 0.000 2.922 328 V HA 0.068 4.188 4.120 0.000 0.000 0.242 328 V C -0.152 175.917 176.094 -0.042 0.000 1.094 328 V CA 0.325 62.548 62.300 -0.128 0.000 1.106 328 V CB 0.152 31.787 31.823 -0.314 0.000 0.799 328 V HN 0.188 nan 8.190 nan 0.000 0.474 329 Y N 1.978 122.168 120.300 -0.185 0.000 2.349 329 Y HA 0.568 5.118 4.550 0.000 0.000 0.324 329 Y C -0.149 175.700 175.900 -0.086 0.000 1.005 329 Y CA -1.943 56.080 58.100 -0.128 0.000 1.240 329 Y CB 0.893 39.266 38.460 -0.146 0.000 1.117 329 Y HN 0.035 nan 8.280 nan 0.000 0.463 330 R N 7.518 128.034 120.500 0.027 0.000 2.423 330 R HA 0.324 4.664 4.340 0.000 0.000 0.293 330 R C -2.529 173.674 176.300 -0.162 0.000 1.196 330 R CA -1.723 54.301 56.100 -0.127 0.000 1.262 330 R CB 0.829 31.101 30.300 -0.047 0.000 1.116 330 R HN 0.456 nan 8.270 nan 0.000 0.566 331 P HA -0.008 nan 4.420 nan 0.000 0.269 331 P C -0.146 177.079 177.300 -0.126 0.000 1.215 331 P CA -0.098 62.824 63.100 -0.297 0.000 0.780 331 P CB 1.111 32.488 31.700 -0.539 0.000 0.898 332 D N 0.045 120.417 120.400 -0.046 0.000 2.178 332 D HA -0.016 4.624 4.640 0.000 0.000 0.202 332 D C 0.312 176.590 176.300 -0.035 0.000 0.974 332 D CA 1.367 55.353 54.000 -0.024 0.000 0.841 332 D CB 0.349 41.153 40.800 0.007 0.000 0.953 332 D HN 0.115 nan 8.370 nan 0.000 0.478 333 V N 1.202 121.084 119.914 -0.054 0.000 2.577 333 V HA 0.179 4.299 4.120 0.000 0.000 0.303 333 V C -0.843 175.189 176.094 -0.103 0.000 1.042 333 V CA -0.885 61.387 62.300 -0.047 0.000 0.872 333 V CB 2.499 34.322 31.823 0.000 0.000 0.998 333 V HN -0.146 nan 8.190 nan 0.000 0.423 334 D N 3.406 123.749 120.400 -0.096 0.000 2.440 334 D HA 0.489 5.129 4.640 0.000 0.000 0.239 334 D C -0.828 175.426 176.300 -0.075 0.000 1.084 334 D CA -0.121 53.802 54.000 -0.128 0.000 0.843 334 D CB 1.993 42.710 40.800 -0.139 0.000 1.097 334 D HN 0.273 nan 8.370 nan 0.000 0.531 335 V N 4.413 124.258 119.914 -0.116 0.000 2.293 335 V HA 0.259 4.379 4.120 0.000 0.000 0.275 335 V C 0.241 176.264 176.094 -0.118 0.000 1.021 335 V CA -0.848 61.410 62.300 -0.070 0.000 0.815 335 V CB 1.413 33.145 31.823 -0.151 0.000 1.025 335 V HN 0.325 nan 8.190 nan 0.000 0.448 336 V N 4.833 124.713 119.914 -0.058 0.000 2.304 336 V HA 0.628 4.748 4.120 0.000 0.000 0.262 336 V C 0.318 176.290 176.094 -0.204 0.000 1.061 336 V CA 0.373 62.611 62.300 -0.103 0.000 0.872 336 V CB 0.725 32.518 31.823 -0.050 0.000 1.077 336 V HN 0.996 nan 8.190 nan 0.000 0.480 337 T N 2.384 116.743 114.554 -0.325 0.000 2.677 337 T HA 0.249 4.599 4.350 0.000 0.000 0.305 337 T C -1.502 172.961 174.700 -0.395 0.000 1.569 337 T CA -0.621 61.137 62.100 -0.571 0.000 0.984 337 T CB 1.730 69.796 68.868 -1.336 0.000 1.629 337 T HN 0.679 nan 8.240 nan 0.000 0.494 338 D N 0.557 120.718 120.400 -0.398 0.000 2.424 338 D HA 0.255 4.895 4.640 0.000 0.000 0.244 338 D C 1.499 177.705 176.300 -0.156 0.000 1.134 338 D CA 0.092 53.961 54.000 -0.218 0.000 0.881 338 D CB 0.891 41.593 40.800 -0.164 0.000 1.191 338 D HN 0.244 nan 8.370 nan 0.000 0.445 339 V N 3.779 123.653 119.914 -0.067 0.000 2.343 339 V HA -0.185 3.935 4.120 0.000 0.000 0.247 339 V C 2.095 178.239 176.094 0.082 0.000 1.051 339 V CA 1.276 63.585 62.300 0.016 0.000 1.036 339 V CB -0.683 31.148 31.823 0.014 0.000 0.654 339 V HN 0.612 nan 8.190 nan 0.000 0.451 340 L N 0.966 122.209 121.223 0.033 0.000 2.056 340 L HA -0.018 4.322 4.340 0.000 0.000 0.207 340 L C 2.465 179.365 176.870 0.050 0.000 1.078 340 L CA 2.301 57.166 54.840 0.041 0.000 0.749 340 L CB -1.047 41.026 42.059 0.024 0.000 0.901 340 L HN 0.205 nan 8.230 nan 0.000 0.433 341 A N -0.652 122.177 122.820 0.015 0.000 1.908 341 A HA -0.288 4.032 4.320 0.000 0.000 0.218 341 A C 2.291 179.960 177.584 0.142 0.000 1.181 341 A CA 1.957 54.023 52.037 0.048 0.000 0.627 341 A CB -1.286 17.669 19.000 -0.075 0.000 0.818 341 A HN 0.594 nan 8.150 nan 0.000 0.445 342 F N 0.957 120.853 119.950 -0.090 0.000 2.095 342 F HA -0.176 4.351 4.527 0.000 0.000 0.298 342 F C 2.124 178.052 175.800 0.214 0.000 1.104 342 F CA 2.109 60.165 58.000 0.093 0.000 1.232 342 F CB -0.551 38.408 39.000 -0.069 0.000 0.987 342 F HN 0.018 nan 8.300 nan 0.000 0.475 343 V N 0.739 120.556 119.914 -0.162 0.000 2.343 343 V HA -0.283 3.837 4.120 0.000 0.000 0.247 343 V C 2.281 178.317 176.094 -0.097 0.000 1.051 343 V CA 2.336 64.503 62.300 -0.221 0.000 1.036 343 V CB -0.769 31.056 31.823 0.005 0.000 0.654 343 V HN 0.387 nan 8.190 nan 0.000 0.451 344 E N -0.624 119.578 120.200 0.004 0.000 2.106 344 E HA -0.248 4.102 4.350 0.000 0.000 0.192 344 E C 2.128 178.756 176.600 0.045 0.000 0.984 344 E CA 1.440 57.858 56.400 0.031 0.000 0.806 344 E CB -0.213 29.525 29.700 0.064 0.000 0.750 344 E HN 0.785 nan 8.360 nan 0.000 0.458 345 H N -0.744 118.345 119.070 0.031 0.000 2.428 345 H HA -0.095 4.461 4.556 0.000 0.000 0.296 345 H C 1.668 176.971 175.328 -0.042 0.000 1.062 345 H CA 1.089 57.156 56.048 0.033 0.000 1.350 345 H CB 0.041 29.904 29.762 0.168 0.000 1.403 345 H HN 0.089 nan 8.280 nan 0.000 0.533 346 F N 1.204 121.013 119.950 -0.235 0.000 2.206 346 F HA -0.076 4.451 4.527 0.000 0.000 0.298 346 F C 2.205 177.819 175.800 -0.309 0.000 1.090 346 F CA 1.050 58.837 58.000 -0.354 0.000 1.323 346 F CB -0.033 38.541 39.000 -0.710 0.000 1.028 346 F HN 0.174 nan 8.300 nan 0.000 0.492 347 E N -0.250 119.860 120.200 -0.151 0.000 2.038 347 E HA -0.200 4.150 4.350 0.000 0.000 0.195 347 E C 2.195 178.625 176.600 -0.283 0.000 1.000 347 E CA 2.118 58.399 56.400 -0.200 0.000 0.803 347 E CB -0.882 28.754 29.700 -0.106 0.000 0.750 347 E HN 0.326 nan 8.360 nan 0.000 0.448 348 T N 1.327 115.725 114.554 -0.261 0.000 2.684 348 T HA -0.151 4.199 4.350 0.000 0.000 0.267 348 T C 1.931 176.413 174.700 -0.364 0.000 1.036 348 T CA 1.710 63.640 62.100 -0.283 0.000 1.148 348 T CB -0.267 68.430 68.868 -0.286 0.000 0.863 348 T HN 0.293 nan 8.240 nan 0.000 0.436 349 A N 1.375 123.918 122.820 -0.462 0.000 2.015 349 A HA -0.036 4.284 4.320 0.000 0.000 0.219 349 A C 2.313 179.472 177.584 -0.707 0.000 1.163 349 A CA 1.772 53.529 52.037 -0.468 0.000 0.646 349 A CB -0.651 18.119 19.000 -0.385 0.000 0.806 349 A HN 0.608 nan 8.150 nan 0.000 0.448 350 T N -4.397 109.589 114.554 -0.947 0.000 3.129 350 T HA 0.556 4.906 4.350 0.000 0.000 0.267 350 T C 1.407 175.624 174.700 -0.806 0.000 1.018 350 T CA 0.717 61.904 62.100 -1.520 0.000 0.903 350 T CB 0.319 68.277 68.868 -1.516 0.000 1.067 350 T HN 0.413 nan 8.240 nan 0.000 0.549 351 A N 2.393 124.936 122.820 -0.461 0.000 1.978 351 A HA -0.051 4.269 4.320 0.000 0.000 0.220 351 A C 2.497 180.008 177.584 -0.121 0.000 1.170 351 A CA 1.909 53.806 52.037 -0.234 0.000 0.636 351 A CB -0.854 18.043 19.000 -0.172 0.000 0.810 351 A HN 0.794 nan 8.150 nan 0.000 0.448 352 S N -1.752 113.911 115.700 -0.062 0.000 2.540 352 S HA 0.337 4.807 4.470 0.000 0.000 0.218 352 S C 0.039 174.768 174.600 0.214 0.000 0.977 352 S CA -0.665 57.574 58.200 0.064 0.000 0.918 352 S CB -0.343 62.895 63.200 0.063 0.000 0.806 352 S HN 0.097 nan 8.310 nan 0.000 0.496 353 F N 3.180 123.084 119.950 -0.077 0.000 2.518 353 F HA 0.537 5.064 4.527 0.000 0.000 0.359 353 F C 1.525 177.299 175.800 -0.043 0.000 1.118 353 F CA -1.036 56.924 58.000 -0.065 0.000 1.287 353 F CB -0.238 38.711 39.000 -0.084 0.000 1.132 353 F HN 0.206 nan 8.300 nan 0.000 0.587 354 G N 1.287 110.153 108.800 0.110 0.000 2.442 354 G HA2 0.445 4.405 3.960 0.000 0.000 0.249 354 G HA3 0.445 4.405 3.960 0.000 0.000 0.249 354 G C -0.332 174.613 174.900 0.075 0.000 1.263 354 G CA -0.314 44.822 45.100 0.059 0.000 0.846 354 G HN 0.919 nan 8.290 nan 0.000 0.555 355 A N 2.144 125.001 122.820 0.062 0.000 2.466 355 A HA 0.475 4.795 4.320 0.000 0.000 0.238 355 A C 0.642 178.258 177.584 0.054 0.000 1.074 355 A CA -0.018 52.057 52.037 0.064 0.000 0.774 355 A CB 0.380 19.412 19.000 0.053 0.000 1.015 355 A HN 0.551 nan 8.150 nan 0.000 0.498 356 K N 1.307 121.747 120.400 0.067 0.000 2.095 356 K HA 0.309 4.629 4.320 0.000 0.000 0.252 356 K C -0.299 176.354 176.600 0.088 0.000 0.977 356 K CA -0.635 55.690 56.287 0.063 0.000 0.900 356 K CB 0.679 33.229 32.500 0.083 0.000 1.060 356 K HN 0.691 nan 8.250 nan 0.000 0.449 357 Q N 1.999 121.858 119.800 0.099 0.000 2.304 357 Q HA 0.117 4.457 4.340 0.000 0.000 0.260 357 Q C 0.206 176.385 176.000 0.299 0.000 0.965 357 Q CA 0.034 55.938 55.803 0.167 0.000 0.898 357 Q CB 0.783 29.626 28.738 0.174 0.000 1.196 357 Q HN 0.473 nan 8.270 nan 0.000 0.402 358 R N 1.677 122.317 120.500 0.234 0.000 2.486 358 R HA 0.379 4.719 4.340 0.000 0.000 0.286 358 R C 0.203 176.596 176.300 0.155 0.000 0.999 358 R CA -0.799 55.445 56.100 0.240 0.000 0.993 358 R CB 0.677 31.053 30.300 0.128 0.000 1.084 358 R HN 0.587 nan 8.270 nan 0.000 0.487 359 H N 0.035 119.040 119.070 -0.109 0.000 2.707 359 H HA 0.089 4.645 4.556 0.000 0.000 0.359 359 H C -0.849 174.472 175.328 -0.012 0.000 1.113 359 H CA -0.591 55.320 56.048 -0.227 0.000 1.422 359 H CB 0.551 30.051 29.762 -0.436 0.000 1.443 359 H HN 0.659 nan 8.280 nan 0.000 0.591 360 D N 2.083 122.464 120.400 -0.032 0.000 2.371 360 D HA 0.061 4.701 4.640 0.000 0.000 0.256 360 D C 1.030 177.255 176.300 -0.125 0.000 1.193 360 D CA -0.209 53.750 54.000 -0.068 0.000 0.881 360 D CB 0.010 40.806 40.800 -0.007 0.000 1.143 360 D HN 0.670 nan 8.370 nan 0.000 0.473 361 I N 0.257 120.681 120.570 -0.244 0.000 3.947 361 I HA 0.297 4.467 4.170 0.000 0.000 0.327 361 I C 0.966 176.966 176.117 -0.194 0.000 1.519 361 I CA -0.494 60.658 61.300 -0.246 0.000 1.122 361 I CB 0.564 38.276 38.000 -0.480 0.000 1.146 361 I HN 0.054 nan 8.210 nan 0.000 0.442 362 E N 2.434 122.549 120.200 -0.140 0.000 2.118 362 E HA -0.119 4.231 4.350 0.000 0.000 0.195 362 E C -0.461 176.094 176.600 -0.075 0.000 0.992 362 E CA 1.526 57.863 56.400 -0.105 0.000 0.804 362 E CB -1.468 28.193 29.700 -0.066 0.000 0.741 362 E HN 0.505 nan 8.360 nan 0.000 0.458 363 P HA -0.108 nan 4.420 nan 0.000 0.218 363 P C 1.659 178.881 177.300 -0.130 0.000 1.149 363 P CA 0.651 63.772 63.100 0.035 0.000 0.817 363 P CB -0.003 31.821 31.700 0.208 0.000 0.785 364 L N -0.241 120.910 121.223 -0.118 0.000 2.072 364 L HA -0.035 4.305 4.340 0.000 0.000 0.205 364 L C 2.276 178.955 176.870 -0.317 0.000 1.079 364 L CA 1.768 56.404 54.840 -0.339 0.000 0.752 364 L CB -0.923 41.087 42.059 -0.081 0.000 0.906 364 L HN -0.244 nan 8.230 nan 0.000 0.436 365 R N -0.387 119.984 120.500 -0.214 0.000 2.091 365 R HA -0.123 4.217 4.340 0.000 0.000 0.238 365 R C 2.224 178.434 176.300 -0.150 0.000 1.136 365 R CA 1.430 57.428 56.100 -0.169 0.000 0.959 365 R CB -0.639 29.568 30.300 -0.154 0.000 0.856 365 R HN 0.552 nan 8.270 nan 0.000 0.437 366 A N 0.813 123.542 122.820 -0.152 0.000 1.929 366 A HA -0.156 4.164 4.320 0.000 0.000 0.216 366 A C 2.084 179.581 177.584 -0.145 0.000 1.176 366 A CA 1.236 53.204 52.037 -0.115 0.000 0.628 366 A CB -0.299 18.653 19.000 -0.080 0.000 0.816 366 A HN 0.107 nan 8.150 nan 0.000 0.444 367 R N 0.435 120.771 120.500 -0.273 0.000 2.070 367 R HA -0.024 4.316 4.340 0.000 0.000 0.233 367 R C 1.776 177.972 176.300 -0.174 0.000 1.137 367 R CA 1.883 57.797 56.100 -0.311 0.000 0.945 367 R CB -0.814 29.016 30.300 -0.783 0.000 0.845 367 R HN 0.523 nan 8.270 nan 0.000 0.430 368 I N 0.381 120.838 120.570 -0.189 0.000 2.194 368 I HA -0.308 3.862 4.170 0.000 0.000 0.246 368 I C 2.239 178.326 176.117 -0.050 0.000 1.093 368 I CA 1.549 62.805 61.300 -0.074 0.000 1.355 368 I CB -0.443 37.554 38.000 -0.005 0.000 1.046 368 I HN 0.353 nan 8.210 nan 0.000 0.413 369 A N 0.494 123.283 122.820 -0.052 0.000 1.930 369 A HA -0.203 4.117 4.320 0.000 0.000 0.217 369 A C 2.403 179.971 177.584 -0.025 0.000 1.175 369 A CA 1.985 54.001 52.037 -0.035 0.000 0.627 369 A CB -0.926 18.052 19.000 -0.035 0.000 0.815 369 A HN 0.475 nan 8.150 nan 0.000 0.443 370 E N -1.167 119.022 120.200 -0.019 0.000 2.072 370 E HA -0.134 4.216 4.350 0.000 0.000 0.191 370 E C 1.777 178.369 176.600 -0.013 0.000 0.985 370 E CA 1.204 57.598 56.400 -0.010 0.000 0.801 370 E CB -0.869 28.828 29.700 -0.005 0.000 0.750 370 E HN 0.596 nan 8.360 nan 0.000 0.452 371 F N 0.771 120.602 119.950 -0.198 0.000 2.065 371 F HA -0.134 4.393 4.527 0.000 0.000 0.298 371 F C 2.396 178.059 175.800 -0.229 0.000 1.112 371 F CA 1.988 59.797 58.000 -0.318 0.000 1.212 371 F CB -0.240 38.468 39.000 -0.486 0.000 0.975 371 F HN 0.131 nan 8.300 nan 0.000 0.476 372 L N -1.105 120.084 121.223 -0.057 0.000 2.201 372 L HA -0.153 4.188 4.340 0.000 0.000 0.212 372 L C 2.236 179.109 176.870 0.004 0.000 1.105 372 L CA 1.053 55.859 54.840 -0.056 0.000 0.775 372 L CB -0.817 41.194 42.059 -0.080 0.000 0.913 372 L HN 0.158 nan 8.230 nan 0.000 0.440 373 A N -1.456 121.360 122.820 -0.006 0.000 2.308 373 A HA -0.021 4.299 4.320 0.000 0.000 0.217 373 A C 0.478 178.064 177.584 0.002 0.000 1.216 373 A CA -0.295 51.742 52.037 0.000 0.000 0.864 373 A CB -0.336 18.660 19.000 -0.007 0.000 0.902 373 A HN 0.257 nan 8.150 nan 0.000 0.499 374 D N 1.613 122.017 120.400 0.006 0.000 2.854 374 D HA -0.041 4.599 4.640 0.000 0.000 0.243 374 D C -1.279 175.039 176.300 0.030 0.000 1.243 374 D CA -0.707 53.304 54.000 0.019 0.000 0.883 374 D CB 0.826 41.679 40.800 0.088 0.000 1.145 374 D HN 0.244 nan 8.370 nan 0.000 0.555 375 P HA 0.009 nan 4.420 nan 0.000 0.255 375 P C 0.247 177.515 177.300 -0.055 0.000 1.248 375 P CA -0.008 63.080 63.100 -0.021 0.000 0.807 375 P CB 0.209 31.891 31.700 -0.029 0.000 1.150 376 E N 0.501 120.649 120.200 -0.087 0.000 2.404 376 E HA 0.140 4.490 4.350 0.000 0.000 0.261 376 E C -0.503 175.925 176.600 -0.286 0.000 1.074 376 E CA 0.102 56.347 56.400 -0.258 0.000 0.917 376 E CB 0.421 29.836 29.700 -0.475 0.000 0.965 376 E HN -0.080 nan 8.360 nan 0.000 0.433 377 T N 3.388 117.740 114.554 -0.336 0.000 2.794 377 T HA 0.318 4.668 4.350 0.000 0.000 0.280 377 T C -1.225 173.264 174.700 -0.350 0.000 0.987 377 T CA -0.318 61.655 62.100 -0.212 0.000 0.993 377 T CB 0.238 69.038 68.868 -0.113 0.000 0.939 377 T HN 0.266 nan 8.240 nan 0.000 0.449 378 Y N 0.634 120.903 120.300 -0.052 0.000 2.420 378 Y HA 0.499 5.049 4.550 0.000 0.000 0.334 378 Y C 1.664 177.536 175.900 -0.047 0.000 1.094 378 Y CA -0.825 57.246 58.100 -0.048 0.000 1.126 378 Y CB 0.652 39.078 38.460 -0.057 0.000 1.217 378 Y HN 0.803 nan 8.280 nan 0.000 0.462 379 E N 1.367 121.622 120.200 0.093 0.000 2.072 379 E HA -0.096 4.254 4.350 0.000 0.000 0.191 379 E C 1.312 177.932 176.600 0.034 0.000 0.985 379 E CA 1.680 58.103 56.400 0.038 0.000 0.801 379 E CB -1.280 28.433 29.700 0.023 0.000 0.750 379 E HN 0.876 nan 8.360 nan 0.000 0.452 380 D N -0.073 120.355 120.400 0.047 0.000 1.509 380 D HA 0.385 5.025 4.640 0.000 0.000 0.326 380 D C 1.285 177.574 176.300 -0.019 0.000 1.143 380 D CA 1.252 55.251 54.000 -0.002 0.000 0.938 380 D CB -0.809 39.974 40.800 -0.027 0.000 1.641 380 D HN 0.758 nan 8.370 nan 0.000 0.550 384 V N 1.819 121.471 119.914 -0.437 0.000 2.594 384 V HA -0.245 3.875 4.120 0.000 0.000 0.253 384 V C 2.073 178.072 176.094 -0.158 0.000 1.069 384 V CA 2.585 64.675 62.300 -0.350 0.000 1.082 384 V CB -0.806 30.684 31.823 -0.554 0.000 0.680 384 V HN 0.796 nan 8.190 nan 0.000 0.469 385 H N -0.126 118.971 119.070 0.045 0.000 2.423 385 H HA -0.128 4.428 4.556 0.000 0.000 0.297 385 H C 2.090 177.435 175.328 0.029 0.000 1.075 385 H CA 1.426 57.588 56.048 0.190 0.000 1.342 385 H CB -0.489 29.448 29.762 0.291 0.000 1.395 385 H HN 0.453 nan 8.280 nan 0.000 0.530 386 Q N 0.759 120.400 119.800 -0.264 0.000 2.123 386 Q HA -0.031 4.309 4.340 0.000 0.000 0.199 386 Q C 2.456 178.416 176.000 -0.067 0.000 0.966 386 Q CA 1.221 56.944 55.803 -0.133 0.000 0.845 386 Q CB 0.150 28.776 28.738 -0.186 0.000 0.907 386 Q HN 0.387 nan 8.270 nan 0.000 0.439 387 V N 1.117 120.978 119.914 -0.090 0.000 2.295 387 V HA -0.256 3.864 4.120 0.000 0.000 0.246 387 V C 2.102 178.216 176.094 0.032 0.000 1.049 387 V CA 1.654 63.926 62.300 -0.047 0.000 1.024 387 V CB -0.397 31.378 31.823 -0.081 0.000 0.648 387 V HN 0.332 nan 8.190 nan 0.000 0.447 388 I N 0.268 120.895 120.570 0.094 0.000 2.394 388 I HA -0.205 3.965 4.170 0.000 0.000 0.251 388 I C 2.284 178.487 176.117 0.144 0.000 1.136 388 I CA 1.716 63.117 61.300 0.168 0.000 1.425 388 I CB -0.368 37.799 38.000 0.279 0.000 1.079 388 I HN 0.374 nan 8.210 nan 0.000 0.425 389 D N 0.643 121.104 120.400 0.101 0.000 2.104 389 D HA -0.110 4.530 4.640 0.000 0.000 0.194 389 D C 1.350 177.695 176.300 0.074 0.000 0.994 389 D CA 0.945 54.990 54.000 0.075 0.000 0.830 389 D CB 0.130 40.956 40.800 0.043 0.000 0.959 389 D HN 0.180 nan 8.370 nan 0.000 0.452 393 T N 2.369 116.991 114.554 0.112 0.000 2.652 393 T HA -0.003 4.347 4.350 0.000 0.000 0.267 393 T C 1.299 176.063 174.700 0.107 0.000 1.039 393 T CA 1.270 63.422 62.100 0.088 0.000 1.153 393 T CB -0.056 68.854 68.868 0.070 0.000 0.863 393 T HN -0.038 nan 8.240 nan 0.000 0.428 397 E N 0.832 121.052 120.200 0.034 0.000 2.072 397 E HA -0.064 4.286 4.350 0.000 0.000 0.191 397 E C 1.818 178.433 176.600 0.025 0.000 0.985 397 E CA 1.346 57.766 56.400 0.033 0.000 0.801 397 E CB 0.040 29.768 29.700 0.047 0.000 0.750 397 E HN 0.302 nan 8.360 nan 0.000 0.452 398 A N 0.905 123.741 122.820 0.025 0.000 2.021 398 A HA 0.298 4.618 4.320 0.000 0.000 0.216 398 A C 1.213 178.789 177.584 -0.014 0.000 1.163 398 A CA 0.592 52.641 52.037 0.019 0.000 0.676 398 A CB 0.117 19.149 19.000 0.054 0.000 0.818 398 A HN 0.209 nan 8.150 nan 0.000 0.453 399 A N 0.562 123.359 122.820 -0.039 0.000 2.306 399 A HA 0.561 4.881 4.320 0.000 0.000 0.314 399 A C -0.144 177.429 177.584 -0.018 0.000 1.164 399 A CA -0.640 51.371 52.037 -0.043 0.000 0.822 399 A CB 0.371 19.327 19.000 -0.073 0.000 1.130 399 A HN 0.273 nan 8.150 nan 0.000 0.496 400 E N 1.356 121.549 120.200 -0.011 0.000 2.438 400 E HA 0.152 4.502 4.350 0.000 0.000 0.261 400 E C -2.239 174.360 176.600 -0.002 0.000 1.103 400 E CA -1.381 55.017 56.400 -0.003 0.000 0.959 400 E CB -0.366 29.334 29.700 0.000 0.000 0.958 400 E HN 0.355 nan 8.360 nan 0.000 0.447 401 P HA 0.018 nan 4.420 nan 0.000 0.265 401 P C 0.591 177.896 177.300 0.007 0.000 1.193 401 P CA 0.849 63.953 63.100 0.007 0.000 0.765 401 P CB 0.330 32.037 31.700 0.011 0.000 0.823 402 G N 1.047 109.852 108.800 0.009 0.000 2.155 402 G HA2 -0.242 3.718 3.960 0.000 0.000 0.257 402 G HA3 -0.242 3.718 3.960 0.000 0.000 0.257 402 G C -0.027 174.877 174.900 0.008 0.000 0.983 402 G CA 0.047 45.153 45.100 0.010 0.000 0.676 402 G HN 0.588 nan 8.290 nan 0.000 0.528 403 E N -1.122 119.079 120.200 0.001 0.000 2.393 403 E HA 0.654 5.004 4.350 0.000 0.000 0.265 403 E C 0.364 176.952 176.600 -0.021 0.000 0.941 403 E CA -0.495 55.903 56.400 -0.003 0.000 0.801 403 E CB 2.024 31.721 29.700 -0.005 0.000 1.313 403 E HN 1.532 nan 8.360 nan 0.000 0.435 404 G N 0.247 109.028 108.800 -0.030 0.000 2.675 404 G HA2 -0.079 3.881 3.960 0.000 0.000 0.686 404 G HA3 -0.079 3.881 3.960 0.000 0.000 0.686 404 G C -0.861 174.020 174.900 -0.032 0.000 1.215 404 G CA -0.696 44.361 45.100 -0.072 0.000 0.777 404 G HN 0.389 nan 8.290 nan 0.000 0.638 405 T N 1.408 115.931 114.554 -0.051 0.000 2.928 405 T HA 0.624 4.974 4.350 0.000 0.000 0.296 405 T C 0.254 174.965 174.700 0.018 0.000 1.000 405 T CA -0.442 61.666 62.100 0.013 0.000 0.989 405 T CB 1.356 70.237 68.868 0.021 0.000 1.005 405 T HN 0.655 nan 8.240 nan 0.000 0.442 406 I N 3.006 123.641 120.570 0.109 0.000 2.354 406 I HA 0.494 4.664 4.170 0.000 0.000 0.292 406 I C -0.340 175.831 176.117 0.090 0.000 0.989 406 I CA -0.990 60.424 61.300 0.190 0.000 1.188 406 I CB 1.572 39.775 38.000 0.339 0.000 1.342 406 I HN 0.266 nan 8.210 nan 0.000 0.457 407 V N 4.845 124.802 119.914 0.071 0.000 2.547 407 V HA 0.446 4.566 4.120 0.000 0.000 0.299 407 V C -0.058 176.062 176.094 0.044 0.000 1.040 407 V CA -0.447 61.836 62.300 -0.029 0.000 0.913 407 V CB 1.856 33.689 31.823 0.018 0.000 0.992 407 V HN 0.766 nan 8.190 nan 0.000 0.449 408 S N 2.398 118.084 115.700 -0.024 0.000 2.532 408 S HA 0.375 4.845 4.470 0.000 0.000 0.299 408 S C -0.538 174.217 174.600 0.257 0.000 1.105 408 S CA -0.674 57.636 58.200 0.183 0.000 1.018 408 S CB 1.414 64.730 63.200 0.194 0.000 1.021 408 S HN 0.890 nan 8.310 nan 0.000 0.483 409 D N 2.102 122.756 120.400 0.424 0.000 2.325 409 D HA 0.250 4.890 4.640 0.000 0.000 0.262 409 D C -0.070 176.415 176.300 0.309 0.000 1.263 409 D CA -0.100 54.174 54.000 0.456 0.000 1.020 409 D CB 0.473 41.578 40.800 0.507 0.000 1.117 409 D HN 0.427 nan 8.370 nan 0.000 0.545 410 I N -0.661 120.082 120.570 0.288 0.000 2.562 410 I HA 0.603 4.773 4.170 0.000 0.000 0.301 410 I C 1.008 177.145 176.117 0.033 0.000 1.003 410 I CA -0.268 61.050 61.300 0.030 0.000 1.127 410 I CB 0.536 38.605 38.000 0.115 0.000 1.304 410 I HN 0.621 nan 8.210 nan 0.000 0.446 411 G N 3.603 112.260 108.800 -0.238 0.000 2.369 411 G HA2 0.027 3.988 3.960 0.000 0.000 0.293 411 G HA3 0.027 3.988 3.960 0.000 0.000 0.293 411 G C -0.272 174.509 174.900 -0.199 0.000 1.301 411 G CA -0.647 44.423 45.100 -0.050 0.000 0.913 411 G HN 0.343 nan 8.290 nan 0.000 0.540 412 F N 0.928 120.804 119.950 -0.125 0.000 2.095 412 F HA -0.013 4.514 4.527 0.000 0.000 0.298 412 F C 2.698 178.449 175.800 -0.082 0.000 1.104 412 F CA 2.713 60.593 58.000 -0.200 0.000 1.232 412 F CB -0.645 38.132 39.000 -0.372 0.000 0.987 412 F HN 0.508 nan 8.300 nan 0.000 0.475 413 F N 0.311 120.280 119.950 0.031 0.000 2.236 413 F HA -0.170 4.357 4.527 0.000 0.000 0.302 413 F C 2.322 178.158 175.800 0.061 0.000 1.073 413 F CA 1.567 59.599 58.000 0.053 0.000 1.336 413 F CB -1.324 37.749 39.000 0.121 0.000 1.040 413 F HN -0.078 nan 8.300 nan 0.000 0.507 414 R N 0.690 120.513 120.500 -1.127 0.000 2.096 414 R HA -0.183 4.157 4.340 0.000 0.000 0.235 414 R C 2.127 178.082 176.300 -0.574 0.000 1.127 414 R CA 2.020 57.630 56.100 -0.816 0.000 0.968 414 R CB -0.991 28.767 30.300 -0.903 0.000 0.861 414 R HN 0.494 nan 8.270 nan 0.000 0.440 415 H N -1.096 117.698 119.070 -0.459 0.000 2.457 415 H HA -0.121 4.435 4.556 0.000 0.000 0.294 415 H C 1.713 176.758 175.328 -0.471 0.000 1.064 415 H CA 1.289 57.040 56.048 -0.496 0.000 1.330 415 H CB -0.191 29.206 29.762 -0.607 0.000 1.395 415 H HN 0.271 nan 8.280 nan 0.000 0.541 416 Y N 0.620 120.741 120.300 -0.299 0.000 2.242 416 Y HA -0.096 4.454 4.550 0.000 0.000 0.291 416 Y C 2.844 178.657 175.900 -0.145 0.000 1.137 416 Y CA 1.075 59.093 58.100 -0.136 0.000 1.181 416 Y CB -0.523 38.050 38.460 0.189 0.000 0.989 416 Y HN 0.197 nan 8.280 nan 0.000 0.527 417 G N -0.768 108.062 108.800 0.049 0.000 2.408 417 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 417 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 417 G C 1.782 176.316 174.900 -0.609 0.000 1.150 417 G CA 1.160 46.238 45.100 -0.036 0.000 0.776 417 G HN 0.273 nan 8.290 nan 0.000 0.542 418 V N 0.774 120.349 119.914 -0.565 0.000 2.295 418 V HA -0.104 4.016 4.120 0.000 0.000 0.246 418 V C 2.883 178.625 176.094 -0.585 0.000 1.049 418 V CA 1.400 63.302 62.300 -0.664 0.000 1.024 418 V CB -0.363 31.086 31.823 -0.624 0.000 0.648 418 V HN 0.327 nan 8.190 nan 0.000 0.447 419 L N -1.640 119.177 121.223 -0.677 0.000 2.072 419 L HA -0.071 4.269 4.340 0.000 0.000 0.205 419 L C 2.068 178.534 176.870 -0.672 0.000 1.079 419 L CA 1.590 55.913 54.840 -0.861 0.000 0.752 419 L CB -0.245 40.857 42.059 -1.594 0.000 0.906 419 L HN 0.322 nan 8.230 nan 0.000 0.436 420 F N -1.055 118.803 119.950 -0.154 0.000 2.752 420 F HA 0.359 4.886 4.527 0.000 0.000 0.310 420 F C 1.230 176.983 175.800 -0.078 0.000 1.097 420 F CA -0.876 57.081 58.000 -0.072 0.000 1.238 420 F CB -0.657 38.368 39.000 0.041 0.000 1.061 420 F HN -0.215 nan 8.300 nan 0.000 0.591 421 A N 2.104 124.895 122.820 -0.047 0.000 2.425 421 A HA 0.372 4.692 4.320 0.000 0.000 0.249 421 A C 0.724 178.280 177.584 -0.048 0.000 1.084 421 A CA -0.403 51.611 52.037 -0.039 0.000 0.781 421 A CB 0.094 19.013 19.000 -0.134 0.000 1.019 421 A HN 0.356 nan 8.150 nan 0.000 0.490 422 R N 1.541 122.075 120.500 0.056 0.000 2.441 422 R HA 0.542 4.882 4.340 0.000 0.000 0.284 422 R C -0.587 175.759 176.300 0.077 0.000 1.070 422 R CA 0.365 56.498 56.100 0.055 0.000 1.047 422 R CB 0.705 31.043 30.300 0.065 0.000 1.016 422 R HN 0.890 nan 8.270 nan 0.000 0.477 423 A N 3.885 126.744 122.820 0.064 0.000 2.768 423 A HA 0.174 4.495 4.320 0.000 0.000 0.299 423 A C -0.908 176.710 177.584 0.057 0.000 1.171 423 A CA -0.722 51.371 52.037 0.092 0.000 0.759 423 A CB 1.181 20.251 19.000 0.117 0.000 1.267 423 A HN 0.865 nan 8.150 nan 0.000 0.421 424 D N 1.474 121.901 120.400 0.045 0.000 2.342 424 D HA 0.137 4.777 4.640 0.000 0.000 0.221 424 D C 0.568 176.879 176.300 0.019 0.000 1.101 424 D CA 0.857 54.874 54.000 0.029 0.000 0.837 424 D CB 0.217 41.030 40.800 0.022 0.000 0.938 424 D HN 0.771 nan 8.370 nan 0.000 0.508 425 Q N -1.745 118.068 119.800 0.022 0.000 2.575 425 Q HA 0.504 4.844 4.340 0.000 0.000 0.290 425 Q C -3.029 172.960 176.000 -0.018 0.000 0.963 425 Q CA -2.127 53.677 55.803 0.002 0.000 0.783 425 Q CB 1.281 30.027 28.738 0.014 0.000 1.467 425 Q HN -0.262 nan 8.270 nan 0.000 0.402 426 P HA 0.018 nan 4.420 nan 0.000 0.262 426 P C -0.848 176.348 177.300 -0.174 0.000 1.182 426 P CA 0.464 63.407 63.100 -0.260 0.000 0.761 426 P CB -0.093 31.373 31.700 -0.389 0.000 0.795 427 F N 1.020 121.006 119.950 0.061 0.000 3.084 427 F HA -0.186 4.341 4.527 0.000 0.000 0.286 427 F C 1.634 177.472 175.800 0.063 0.000 0.855 427 F CA 1.152 59.187 58.000 0.059 0.000 1.091 427 F CB -2.609 36.412 39.000 0.034 0.000 1.177 427 F HN 0.484 nan 8.300 nan 0.000 0.542 428 G N -1.303 107.622 108.800 0.208 0.000 2.572 428 G HA2 0.088 4.048 3.960 0.000 0.000 0.216 428 G HA3 0.088 4.048 3.960 0.000 0.000 0.216 428 G C 0.112 175.156 174.900 0.239 0.000 1.133 428 G CA 0.535 45.737 45.100 0.169 0.000 0.791 428 G HN 0.345 nan 8.290 nan 0.000 0.538 429 F N 1.026 121.046 119.950 0.116 0.000 2.477 429 F HA 0.657 5.184 4.527 0.000 0.000 0.335 429 F C -0.970 174.921 175.800 0.150 0.000 1.130 429 F CA -1.521 56.547 58.000 0.113 0.000 0.948 429 F CB 1.324 40.375 39.000 0.085 0.000 1.154 429 F HN -0.248 nan 8.300 nan 0.000 0.439 430 L N 6.188 127.130 121.223 -0.469 0.000 2.313 430 L HA 0.687 5.027 4.340 0.000 0.000 0.283 430 L C -0.086 176.528 176.870 -0.428 0.000 1.013 430 L CA -0.439 54.238 54.840 -0.271 0.000 0.816 430 L CB 1.986 43.996 42.059 -0.081 0.000 1.236 430 L HN 0.729 nan 8.230 nan 0.000 0.419 431 T N 0.465 114.880 114.554 -0.231 0.000 2.711 431 T HA 0.267 4.617 4.350 0.000 0.000 0.302 431 T C -1.338 173.141 174.700 -0.369 0.000 1.373 431 T CA -0.362 61.603 62.100 -0.225 0.000 1.000 431 T CB 2.081 70.787 68.868 -0.270 0.000 1.483 431 T HN 0.383 nan 8.240 nan 0.000 0.499 432 S N 0.971 116.235 115.700 -0.727 0.000 2.434 432 S HA 0.609 5.079 4.470 0.000 0.000 0.318 432 S C 0.955 175.413 174.600 -0.237 0.000 1.062 432 S CA 0.016 57.816 58.200 -0.668 0.000 1.116 432 S CB 0.100 62.669 63.200 -1.053 0.000 0.977 432 S HN 0.798 nan 8.310 nan 0.000 0.480 433 A N 4.399 127.150 122.820 -0.114 0.000 1.935 433 A HA 0.288 4.608 4.320 0.000 0.000 0.214 433 A C 1.925 179.423 177.584 -0.144 0.000 1.178 433 A CA 1.102 53.086 52.037 -0.089 0.000 0.640 433 A CB -0.927 17.972 19.000 -0.169 0.000 0.825 433 A HN 0.817 nan 8.150 nan 0.000 0.447 434 G N -1.310 107.411 108.800 -0.131 0.000 2.425 434 G HA2 -0.169 3.791 3.960 0.000 0.000 0.213 434 G HA3 -0.169 3.791 3.960 0.000 0.000 0.213 434 G C 1.724 176.568 174.900 -0.093 0.000 1.201 434 G CA 1.241 46.272 45.100 -0.116 0.000 0.799 434 G HN 0.520 nan 8.290 nan 0.000 0.534 435 C N -0.032 119.222 119.300 -0.077 0.000 2.524 435 C HA 0.359 4.819 4.460 0.000 0.000 0.284 435 C C 1.774 176.736 174.990 -0.046 0.000 1.346 435 C CA 1.138 60.130 59.018 -0.043 0.000 1.739 435 C CB -0.612 27.132 27.740 0.007 0.000 2.119 435 C HN 0.510 nan 8.230 nan 0.000 0.501 436 S N 1.371 117.021 115.700 -0.083 0.000 3.631 436 S HA -0.172 4.298 4.470 0.000 0.000 0.366 436 S C 0.120 174.721 174.600 0.001 0.000 0.993 436 S CA 0.712 58.872 58.200 -0.066 0.000 1.167 436 S CB -1.809 61.372 63.200 -0.032 0.000 0.909 436 S HN 0.872 nan 8.310 nan 0.000 0.478 437 S N 2.208 117.955 115.700 0.078 0.000 2.505 437 S HA 0.514 4.984 4.470 0.000 0.000 0.276 437 S C 0.631 175.424 174.600 0.321 0.000 1.274 437 S CA -0.825 57.463 58.200 0.148 0.000 1.053 437 S CB -0.044 63.296 63.200 0.233 0.000 0.919 437 S HN 0.522 nan 8.310 nan 0.000 0.490 438 F N 3.672 123.662 119.950 0.066 0.000 2.545 438 F HA 0.507 5.034 4.527 0.000 0.000 0.348 438 F C 1.291 177.155 175.800 0.107 0.000 1.163 438 F CA -0.789 57.282 58.000 0.118 0.000 1.331 438 F CB -1.198 37.872 39.000 0.117 0.000 1.138 438 F HN 0.856 nan 8.300 nan 0.000 0.602 439 G N 1.950 110.907 108.800 0.262 0.000 2.176 439 G HA2 -0.405 3.555 3.960 0.000 0.000 0.253 439 G HA3 -0.405 3.555 3.960 0.000 0.000 0.253 439 G C 0.725 175.905 174.900 0.467 0.000 0.979 439 G CA 0.413 45.633 45.100 0.200 0.000 0.641 439 G HN 1.053 nan 8.290 nan 0.000 0.530 440 Y N 1.676 122.204 120.300 0.380 0.000 2.256 440 Y HA 0.066 4.616 4.550 0.000 0.000 0.288 440 Y C 2.487 178.434 175.900 0.079 0.000 1.155 440 Y CA 2.544 60.785 58.100 0.235 0.000 1.203 440 Y CB -0.444 38.130 38.460 0.190 0.000 0.980 440 Y HN 0.245 nan 8.280 nan 0.000 0.530 441 G N 0.683 109.603 108.800 0.199 0.000 2.459 441 G HA2 -0.276 3.685 3.960 0.000 0.000 0.217 441 G HA3 -0.276 3.685 3.960 0.000 0.000 0.217 441 G C 1.747 176.632 174.900 -0.025 0.000 1.183 441 G CA 1.355 46.519 45.100 0.105 0.000 0.776 441 G HN 0.484 nan 8.290 nan 0.000 0.552 442 I N 1.883 122.449 120.570 -0.006 0.000 2.099 442 I HA -0.140 4.030 4.170 0.000 0.000 0.239 442 I C 0.072 176.104 176.117 -0.141 0.000 1.066 442 I CA 1.428 62.703 61.300 -0.041 0.000 1.324 442 I CB -0.838 37.123 38.000 -0.066 0.000 1.037 442 I HN 0.196 nan 8.210 nan 0.000 0.401 443 P HA -0.167 nan 4.420 nan 0.000 0.216 443 P C 1.327 178.375 177.300 -0.419 0.000 1.150 443 P CA 1.994 64.884 63.100 -0.351 0.000 0.837 443 P CB -0.082 31.318 31.700 -0.501 0.000 0.786 444 A N 0.243 122.743 122.820 -0.534 0.000 1.930 444 A HA 0.022 4.342 4.320 0.000 0.000 0.217 444 A C 2.431 179.853 177.584 -0.270 0.000 1.175 444 A CA 1.860 53.572 52.037 -0.542 0.000 0.627 444 A CB -1.433 17.062 19.000 -0.842 0.000 0.815 444 A HN 0.214 nan 8.150 nan 0.000 0.443 445 A N 0.041 122.757 122.820 -0.174 0.000 1.898 445 A HA -0.039 4.281 4.320 0.000 0.000 0.216 445 A C 2.091 179.637 177.584 -0.063 0.000 1.181 445 A CA 1.383 53.379 52.037 -0.069 0.000 0.620 445 A CB -0.567 18.431 19.000 -0.003 0.000 0.819 445 A HN 0.477 nan 8.150 nan 0.000 0.442 446 I N -0.240 120.276 120.570 -0.091 0.000 2.127 446 I HA -0.248 3.922 4.170 0.000 0.000 0.241 446 I C 2.741 178.814 176.117 -0.073 0.000 1.075 446 I CA 1.358 62.621 61.300 -0.061 0.000 1.334 446 I CB -0.665 37.293 38.000 -0.070 0.000 1.040 446 I HN 0.400 nan 8.210 nan 0.000 0.405 447 G N 0.177 108.872 108.800 -0.175 0.000 2.418 447 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 447 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 447 G C 1.820 176.662 174.900 -0.097 0.000 1.158 447 G CA 0.863 45.854 45.100 -0.182 0.000 0.771 447 G HN 0.512 nan 8.290 nan 0.000 0.545 448 A N -0.193 122.570 122.820 -0.094 0.000 1.898 448 A HA 0.127 4.447 4.320 0.000 0.000 0.216 448 A C 1.746 179.323 177.584 -0.012 0.000 1.181 448 A CA 1.670 53.677 52.037 -0.049 0.000 0.620 448 A CB -0.370 18.605 19.000 -0.043 0.000 0.819 448 A HN 0.446 nan 8.150 nan 0.000 0.442 452 R N 0.858 121.371 120.500 0.023 0.000 2.651 452 R HA 0.306 4.646 4.340 0.000 0.000 0.282 452 R C -2.229 174.083 176.300 0.020 0.000 1.565 452 R CA -1.504 54.610 56.100 0.023 0.000 1.661 452 R CB 1.257 31.572 30.300 0.023 0.000 1.189 452 R HN 0.274 nan 8.270 nan 0.000 0.621 453 P HA -0.120 nan 4.420 nan 0.000 0.220 453 P C -0.033 177.279 177.300 0.019 0.000 1.148 453 P CA 1.148 64.260 63.100 0.020 0.000 0.803 453 P CB 0.393 32.104 31.700 0.018 0.000 0.782 454 D N -0.852 119.558 120.400 0.016 0.000 2.368 454 D HA 0.096 4.736 4.640 0.000 0.000 0.218 454 D C 0.593 176.899 176.300 0.009 0.000 1.112 454 D CA 0.258 54.266 54.000 0.013 0.000 0.834 454 D CB 0.406 41.213 40.800 0.012 0.000 0.953 454 D HN 0.364 nan 8.370 nan 0.000 0.505 455 Q N 0.942 120.746 119.800 0.008 0.000 2.306 455 Q HA 0.415 4.755 4.340 0.000 0.000 0.265 455 Q C -2.546 173.448 176.000 -0.012 0.000 1.022 455 Q CA -2.020 53.779 55.803 -0.006 0.000 0.853 455 Q CB 2.043 30.776 28.738 -0.007 0.000 1.327 455 Q HN -0.106 nan 8.270 nan 0.000 0.449 456 P HA 0.086 nan 4.420 nan 0.000 0.271 456 P C -0.994 176.250 177.300 -0.093 0.000 1.216 456 P CA -0.101 62.960 63.100 -0.063 0.000 0.776 456 P CB 0.690 32.278 31.700 -0.186 0.000 0.881 457 T N 3.553 118.125 114.554 0.030 0.000 2.890 457 T HA 0.511 4.861 4.350 0.000 0.000 0.295 457 T C -0.790 174.105 174.700 0.326 0.000 0.993 457 T CA -0.143 62.006 62.100 0.081 0.000 0.979 457 T CB 0.062 68.977 68.868 0.080 0.000 0.967 457 T HN 0.049 nan 8.240 nan 0.000 0.441 458 F N 2.724 122.708 119.950 0.056 0.000 2.480 458 F HA 0.745 5.272 4.527 0.000 0.000 0.329 458 F C -0.113 175.720 175.800 0.055 0.000 1.091 458 F CA -2.127 55.908 58.000 0.058 0.000 0.972 458 F CB 1.550 40.593 39.000 0.071 0.000 1.150 458 F HN 0.305 nan 8.300 nan 0.000 0.467 459 L N 4.654 126.007 121.223 0.217 0.000 2.362 459 L HA 0.668 5.008 4.340 0.000 0.000 0.275 459 L C -1.362 175.552 176.870 0.073 0.000 0.998 459 L CA -0.500 54.420 54.840 0.134 0.000 0.820 459 L CB 1.640 43.759 42.059 0.100 0.000 1.270 459 L HN 0.583 nan 8.230 nan 0.000 0.415 460 I N 4.648 125.282 120.570 0.107 0.000 2.433 460 I HA 0.869 5.039 4.170 0.000 0.000 0.292 460 I C -0.860 175.253 176.117 -0.007 0.000 1.001 460 I CA -0.262 61.044 61.300 0.010 0.000 1.119 460 I CB 1.492 39.553 38.000 0.102 0.000 1.289 460 I HN 0.906 nan 8.210 nan 0.000 0.438 461 A N 4.830 127.460 122.820 -0.317 0.000 2.556 461 A HA 0.843 5.163 4.320 0.000 0.000 0.294 461 A C -0.553 176.539 177.584 -0.820 0.000 1.091 461 A CA -0.409 51.416 52.037 -0.354 0.000 0.704 461 A CB 1.409 20.427 19.000 0.030 0.000 1.300 461 A HN 0.805 nan 8.150 nan 0.000 0.406 462 G N -0.502 107.898 108.800 -0.667 0.000 2.488 462 G HA2 0.452 4.412 3.960 0.000 0.000 0.318 462 G HA3 0.452 4.412 3.960 0.000 0.000 0.318 462 G C 0.386 175.210 174.900 -0.126 0.000 1.188 462 G CA 0.297 45.171 45.100 -0.377 0.000 0.944 462 G HN 0.795 nan 8.290 nan 0.000 0.495 463 D N -0.169 120.197 120.400 -0.056 0.000 2.144 463 D HA -0.105 4.535 4.640 0.000 0.000 0.199 463 D C 2.126 178.526 176.300 0.166 0.000 0.984 463 D CA 1.320 55.314 54.000 -0.010 0.000 0.834 463 D CB -0.668 40.257 40.800 0.208 0.000 0.955 463 D HN 0.470 nan 8.370 nan 0.000 0.465 464 G N 0.992 109.970 108.800 0.297 0.000 2.453 464 G HA2 -0.170 3.790 3.960 0.000 0.000 0.215 464 G HA3 -0.170 3.790 3.960 0.000 0.000 0.215 464 G C 1.787 176.764 174.900 0.128 0.000 1.201 464 G CA 1.213 46.517 45.100 0.339 0.000 0.784 464 G HN 0.470 nan 8.290 nan 0.000 0.545 465 G N 0.047 108.981 108.800 0.224 0.000 2.394 465 G HA2 -0.116 3.844 3.960 0.000 0.000 0.215 465 G HA3 -0.116 3.844 3.960 0.000 0.000 0.215 465 G C 1.645 176.511 174.900 -0.056 0.000 1.165 465 G CA 0.813 45.941 45.100 0.048 0.000 0.784 465 G HN 0.324 nan 8.290 nan 0.000 0.535 466 F N 0.941 120.841 119.950 -0.082 0.000 2.095 466 F HA -0.105 4.422 4.527 0.000 0.000 0.298 466 F C 2.457 178.233 175.800 -0.039 0.000 1.104 466 F CA 1.922 59.852 58.000 -0.117 0.000 1.232 466 F CB -0.192 38.632 39.000 -0.295 0.000 0.987 466 F HN 0.234 nan 8.300 nan 0.000 0.475 467 H N -0.102 118.936 119.070 -0.053 0.000 2.495 467 H HA -0.026 4.530 4.556 0.000 0.000 0.287 467 H C 2.467 177.619 175.328 -0.293 0.000 1.033 467 H CA 1.045 57.040 56.048 -0.088 0.000 1.307 467 H CB -0.516 29.279 29.762 0.056 0.000 1.401 467 H HN 0.370 nan 8.280 nan 0.000 0.555 468 S N -0.853 114.595 115.700 -0.419 0.000 2.440 468 S HA -0.140 4.330 4.470 0.000 0.000 0.238 468 S C 1.391 175.714 174.600 -0.462 0.000 1.010 468 S CA 1.482 59.306 58.200 -0.626 0.000 0.972 468 S CB -0.020 62.348 63.200 -1.386 0.000 0.774 468 S HN 0.385 nan 8.310 nan 0.000 0.501 469 N N 0.064 118.539 118.700 -0.375 0.000 2.475 469 N HA 0.218 4.958 4.740 0.000 0.000 0.272 469 N C 0.737 176.054 175.510 -0.322 0.000 1.482 469 N CA 0.547 53.430 53.050 -0.278 0.000 0.863 469 N CB 0.640 39.046 38.487 -0.135 0.000 1.400 469 N HN 0.368 nan 8.380 nan 0.000 0.489 470 S N -2.120 113.373 115.700 -0.345 0.000 2.489 470 S HA 0.014 4.484 4.470 0.000 0.000 0.228 470 S C 1.647 176.129 174.600 -0.196 0.000 0.995 470 S CA 0.537 58.459 58.200 -0.462 0.000 0.934 470 S CB -0.048 63.032 63.200 -0.199 0.000 0.771 470 S HN 0.123 nan 8.310 nan 0.000 0.522 471 S N 2.110 117.749 115.700 -0.102 0.000 2.442 471 S HA -0.052 4.418 4.470 0.000 0.000 0.236 471 S C 1.216 175.805 174.600 -0.020 0.000 1.007 471 S CA 0.931 59.113 58.200 -0.030 0.000 0.965 471 S CB -0.397 62.799 63.200 -0.006 0.000 0.773 471 S HN 0.548 nan 8.310 nan 0.000 0.504 472 D N 1.198 121.571 120.400 -0.045 0.000 2.378 472 D HA 0.080 4.720 4.640 0.000 0.000 0.227 472 D C 1.512 177.802 176.300 -0.017 0.000 1.012 472 D CA 0.106 54.093 54.000 -0.021 0.000 0.905 472 D CB -0.048 40.738 40.800 -0.023 0.000 0.895 472 D HN 0.353 nan 8.370 nan 0.000 0.532 473 L N 0.796 122.006 121.223 -0.021 0.000 2.081 473 L HA -0.201 4.140 4.340 0.000 0.000 0.212 473 L C 2.552 179.444 176.870 0.037 0.000 1.080 473 L CA 1.198 56.058 54.840 0.034 0.000 0.754 473 L CB -0.246 41.855 42.059 0.071 0.000 0.893 473 L HN 0.027 nan 8.230 nan 0.000 0.433 474 E N -0.266 119.952 120.200 0.029 0.000 2.110 474 E HA -0.198 4.152 4.350 0.000 0.000 0.193 474 E C 1.952 178.571 176.600 0.032 0.000 0.988 474 E CA 1.865 58.284 56.400 0.032 0.000 0.804 474 E CB 0.043 29.761 29.700 0.030 0.000 0.745 474 E HN 0.457 nan 8.360 nan 0.000 0.458 475 T N 1.471 116.042 114.554 0.029 0.000 2.746 475 T HA -0.078 4.272 4.350 0.000 0.000 0.267 475 T C 2.067 176.785 174.700 0.031 0.000 1.039 475 T CA 1.182 63.300 62.100 0.030 0.000 1.142 475 T CB -0.164 68.722 68.868 0.029 0.000 0.866 475 T HN 0.180 nan 8.240 nan 0.000 0.444 476 I N 1.260 121.849 120.570 0.032 0.000 2.208 476 I HA -0.208 3.962 4.170 0.000 0.000 0.245 476 I C 2.857 179.000 176.117 0.043 0.000 1.097 476 I CA 1.147 62.471 61.300 0.039 0.000 1.363 476 I CB -0.400 37.630 38.000 0.049 0.000 1.051 476 I HN 0.212 nan 8.210 nan 0.000 0.413 477 A N 0.646 123.491 122.820 0.043 0.000 1.930 477 A HA -0.217 4.103 4.320 0.000 0.000 0.217 477 A C 2.408 180.013 177.584 0.034 0.000 1.175 477 A CA 1.584 53.646 52.037 0.042 0.000 0.627 477 A CB -0.543 18.482 19.000 0.041 0.000 0.815 477 A HN 0.379 nan 8.150 nan 0.000 0.443 478 R N -0.276 120.242 120.500 0.031 0.000 2.115 478 R HA 0.061 4.401 4.340 0.000 0.000 0.226 478 R C 1.447 177.759 176.300 0.021 0.000 1.100 478 R CA 1.223 57.339 56.100 0.025 0.000 0.980 478 R CB -0.304 30.012 30.300 0.025 0.000 0.875 478 R HN 0.481 nan 8.270 nan 0.000 0.445 479 L N 0.509 121.745 121.223 0.022 0.000 2.509 479 L HA 0.076 4.416 4.340 0.000 0.000 0.222 479 L C 0.343 177.226 176.870 0.022 0.000 1.123 479 L CA 0.046 54.896 54.840 0.017 0.000 0.856 479 L CB -0.333 41.738 42.059 0.020 0.000 0.985 479 L HN 0.321 nan 8.230 nan 0.000 0.456 480 N N 1.047 119.764 118.700 0.029 0.000 2.738 480 N HA -0.207 4.533 4.740 0.000 0.000 0.249 480 N C -0.615 174.917 175.510 0.037 0.000 1.047 480 N CA 0.413 53.483 53.050 0.033 0.000 0.707 480 N CB -1.267 37.236 38.487 0.027 0.000 0.937 480 N HN 0.249 nan 8.380 nan 0.000 0.545 481 L N 0.750 121.998 121.223 0.042 0.000 2.278 481 L HA 0.349 4.689 4.340 0.000 0.000 0.287 481 L C -1.320 175.587 176.870 0.061 0.000 1.072 481 L CA -1.690 53.178 54.840 0.046 0.000 0.819 481 L CB 0.977 43.062 42.059 0.044 0.000 1.176 481 L HN 0.075 nan 8.230 nan 0.000 0.435 482 P HA 0.090 nan 4.420 nan 0.000 0.238 482 P C -0.048 177.320 177.300 0.113 0.000 1.714 482 P CA 0.142 63.291 63.100 0.081 0.000 0.908 482 P CB -0.378 31.363 31.700 0.067 0.000 1.893 483 I N 0.269 120.905 120.570 0.111 0.000 2.441 483 I HA 0.081 4.251 4.170 0.000 0.000 0.287 483 I C 0.560 176.763 176.117 0.143 0.000 1.049 483 I CA -0.527 60.853 61.300 0.134 0.000 1.381 483 I CB 1.257 39.318 38.000 0.101 0.000 1.409 483 I HN -0.164 nan 8.210 nan 0.000 0.523 484 V N 5.802 125.819 119.914 0.171 0.000 2.350 484 V HA 0.291 4.411 4.120 0.000 0.000 0.276 484 V C 0.158 176.238 176.094 -0.024 0.000 1.028 484 V CA -0.361 61.972 62.300 0.056 0.000 0.860 484 V CB 1.252 32.995 31.823 -0.133 0.000 0.990 484 V HN 0.728 nan 8.190 nan 0.000 0.453 485 T N 4.663 119.175 114.554 -0.070 0.000 2.797 485 T HA 0.574 4.924 4.350 0.000 0.000 0.279 485 T C -0.354 174.195 174.700 -0.252 0.000 0.991 485 T CA -0.372 61.649 62.100 -0.131 0.000 0.979 485 T CB 1.738 70.528 68.868 -0.129 0.000 0.943 485 T HN 0.322 nan 8.240 nan 0.000 0.444 486 V N 4.016 123.771 119.914 -0.265 0.000 2.378 486 V HA 0.378 4.498 4.120 0.000 0.000 0.288 486 V C -0.207 175.624 176.094 -0.437 0.000 1.016 486 V CA -0.755 61.357 62.300 -0.313 0.000 0.840 486 V CB 1.689 33.378 31.823 -0.223 0.000 0.994 486 V HN 0.711 nan 8.190 nan 0.000 0.431 487 V N 6.175 125.751 119.914 -0.563 0.000 2.333 487 V HA 0.276 4.397 4.120 0.000 0.000 0.274 487 V C 0.131 175.915 176.094 -0.515 0.000 1.028 487 V CA -0.634 61.233 62.300 -0.723 0.000 0.851 487 V CB 1.670 32.809 31.823 -1.139 0.000 1.000 487 V HN 0.726 nan 8.190 nan 0.000 0.456 488 V N 2.487 122.116 119.914 -0.476 0.000 2.389 488 V HA 0.526 4.646 4.120 0.000 0.000 0.264 488 V C 0.007 175.941 176.094 -0.267 0.000 1.049 488 V CA -0.332 61.764 62.300 -0.339 0.000 0.932 488 V CB 0.909 32.553 31.823 -0.299 0.000 1.011 488 V HN 0.761 nan 8.190 nan 0.000 0.475 489 N N 4.712 123.301 118.700 -0.185 0.000 2.417 489 N HA 0.420 5.160 4.740 0.000 0.000 0.274 489 N C 0.074 175.560 175.510 -0.041 0.000 0.987 489 N CA -0.522 52.493 53.050 -0.058 0.000 0.912 489 N CB 1.626 40.136 38.487 0.038 0.000 1.177 489 N HN 0.873 nan 8.380 nan 0.000 0.490 490 N N 1.871 120.585 118.700 0.024 0.000 2.299 490 N HA 0.123 4.863 4.740 0.000 0.000 0.246 490 N C -0.979 174.597 175.510 0.110 0.000 1.254 490 N CA -0.244 52.808 53.050 0.003 0.000 0.879 490 N CB -0.008 38.414 38.487 -0.108 0.000 1.214 490 N HN 0.365 nan 8.380 nan 0.000 0.510 491 D N -0.265 120.257 120.400 0.203 0.000 2.772 491 D HA -0.134 4.506 4.640 0.000 0.000 0.233 491 D C -0.996 175.499 176.300 0.325 0.000 1.143 491 D CA 1.376 55.551 54.000 0.292 0.000 0.700 491 D CB -1.648 39.251 40.800 0.165 0.000 1.076 491 D HN 0.498 nan 8.370 nan 0.000 0.430 492 T N -0.391 114.391 114.554 0.380 0.000 2.942 492 T HA 0.259 4.609 4.350 0.000 0.000 0.327 492 T C -0.189 174.714 174.700 0.337 0.000 1.360 492 T CA -0.910 61.297 62.100 0.179 0.000 1.055 492 T CB 1.296 70.264 68.868 0.166 0.000 1.261 492 T HN -0.166 nan 8.240 nan 0.000 0.485 493 N N 1.898 120.693 118.700 0.158 0.000 2.819 493 N HA 0.173 4.913 4.740 0.000 0.000 0.284 493 N C 1.502 177.173 175.510 0.268 0.000 1.196 493 N CA 0.035 53.260 53.050 0.292 0.000 1.114 493 N CB 0.586 39.199 38.487 0.211 0.000 1.437 493 N HN 0.886 nan 8.380 nan 0.000 0.518 494 G N 1.660 110.687 108.800 0.379 0.000 2.446 494 G HA2 -0.228 3.733 3.960 0.000 0.000 0.217 494 G HA3 -0.228 3.733 3.960 0.000 0.000 0.217 494 G C 1.421 176.454 174.900 0.223 0.000 1.168 494 G CA 0.155 45.508 45.100 0.421 0.000 0.771 494 G HN 0.490 nan 8.290 nan 0.000 0.551 495 L N 0.330 121.660 121.223 0.178 0.000 2.079 495 L HA -0.104 4.236 4.340 0.000 0.000 0.210 495 L C 2.700 179.638 176.870 0.113 0.000 1.081 495 L CA 1.254 56.132 54.840 0.063 0.000 0.752 495 L CB -0.283 41.898 42.059 0.203 0.000 0.896 495 L HN 0.140 nan 8.230 nan 0.000 0.433 496 I N -0.240 120.440 120.570 0.184 0.000 2.353 496 I HA -0.245 3.925 4.170 0.000 0.000 0.248 496 I C 2.425 178.616 176.117 0.123 0.000 1.119 496 I CA 1.071 62.484 61.300 0.189 0.000 1.417 496 I CB -1.293 36.786 38.000 0.131 0.000 1.078 496 I HN 0.363 nan 8.210 nan 0.000 0.421 497 E N 1.123 121.383 120.200 0.099 0.000 2.110 497 E HA -0.207 4.143 4.350 0.000 0.000 0.193 497 E C 2.410 178.974 176.600 -0.061 0.000 0.988 497 E CA 0.768 57.227 56.400 0.100 0.000 0.804 497 E CB 0.044 29.883 29.700 0.231 0.000 0.745 497 E HN 0.361 nan 8.360 nan 0.000 0.458 498 L N 0.156 121.153 121.223 -0.378 0.000 2.012 498 L HA -0.236 4.104 4.340 0.000 0.000 0.210 498 L C 2.100 178.692 176.870 -0.464 0.000 1.073 498 L CA 1.743 56.066 54.840 -0.863 0.000 0.748 498 L CB -0.449 40.879 42.059 -1.219 0.000 0.891 498 L HN 0.314 nan 8.230 nan 0.000 0.431 499 Y N 0.441 120.618 120.300 -0.205 0.000 2.274 499 Y HA -0.256 4.294 4.550 0.000 0.000 0.290 499 Y C 2.834 178.690 175.900 -0.074 0.000 1.145 499 Y CA 1.338 59.366 58.100 -0.121 0.000 1.203 499 Y CB -0.361 38.060 38.460 -0.064 0.000 0.984 499 Y HN 0.340 nan 8.280 nan 0.000 0.533 500 Q N -0.264 119.607 119.800 0.119 0.000 2.084 500 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 500 Q C 1.902 177.968 176.000 0.110 0.000 0.978 500 Q CA 1.392 57.293 55.803 0.164 0.000 0.844 500 Q CB -0.213 28.605 28.738 0.133 0.000 0.898 500 Q HN 0.533 nan 8.270 nan 0.000 0.426 501 N N 0.515 119.215 118.700 -0.001 0.000 2.216 501 N HA -0.069 4.671 4.740 0.000 0.000 0.183 501 N C 1.865 177.275 175.510 -0.166 0.000 1.017 501 N CA 0.896 53.925 53.050 -0.035 0.000 0.861 501 N CB -0.013 38.468 38.487 -0.011 0.000 0.986 501 N HN 0.245 nan 8.380 nan 0.000 0.428 502 I N 0.677 121.127 120.570 -0.201 0.000 2.286 502 I HA -0.165 4.005 4.170 0.000 0.000 0.248 502 I C 2.354 178.268 176.117 -0.338 0.000 1.115 502 I CA 1.248 62.406 61.300 -0.237 0.000 1.392 502 I CB -0.328 37.545 38.000 -0.211 0.000 1.065 502 I HN 0.140 nan 8.210 nan 0.000 0.418 503 G N -1.014 107.592 108.800 -0.324 0.000 2.492 503 G HA2 -0.112 3.848 3.960 0.000 0.000 0.214 503 G HA3 -0.112 3.848 3.960 0.000 0.000 0.214 503 G C 1.030 175.465 174.900 -0.775 0.000 1.147 503 G CA 0.342 45.122 45.100 -0.534 0.000 0.809 503 G HN 0.471 nan 8.290 nan 0.000 0.533 504 H N -1.933 116.981 119.070 -0.260 0.000 3.233 504 H HA 0.245 4.801 4.556 0.000 0.000 0.263 504 H C 0.514 175.781 175.328 -0.102 0.000 1.168 504 H CA -0.313 55.639 56.048 -0.159 0.000 1.159 504 H CB 0.452 30.179 29.762 -0.058 0.000 1.593 504 H HN 0.281 nan 8.280 nan 0.000 0.580 505 H N 0.261 119.388 119.070 0.095 0.000 2.958 505 H HA -0.165 4.392 4.556 0.000 0.000 0.274 505 H C 0.171 175.551 175.328 0.087 0.000 1.184 505 H CA 1.345 57.434 56.048 0.068 0.000 1.143 505 H CB -1.290 28.499 29.762 0.046 0.000 1.297 505 H HN 0.619 nan 8.280 nan 0.000 0.356 506 R N -1.638 118.958 120.500 0.160 0.000 2.747 506 R HA 0.688 5.028 4.340 0.000 0.000 0.272 506 R C -1.132 175.240 176.300 0.120 0.000 1.032 506 R CA -0.779 55.401 56.100 0.134 0.000 0.896 506 R CB 1.197 31.566 30.300 0.116 0.000 1.253 506 R HN -0.036 nan 8.270 nan 0.000 0.461 507 S N -0.459 115.309 115.700 0.113 0.000 2.690 507 S HA 0.397 4.867 4.470 0.000 0.000 0.291 507 S C -1.227 173.454 174.600 0.136 0.000 1.138 507 S CA -0.495 57.773 58.200 0.114 0.000 1.013 507 S CB 0.817 64.079 63.200 0.102 0.000 1.053 507 S HN 0.619 nan 8.310 nan 0.000 0.539 508 H N 0.707 119.778 119.070 0.001 0.000 3.092 508 H HA 0.350 4.906 4.556 0.000 0.000 0.308 508 H C -0.247 175.072 175.328 -0.015 0.000 1.047 508 H CA -0.602 55.435 56.048 -0.018 0.000 1.466 508 H CB 0.339 30.072 29.762 -0.048 0.000 1.597 508 H HN 0.447 nan 8.280 nan 0.000 0.512 509 D N 4.641 124.867 120.400 -0.288 0.000 2.144 509 D HA -0.098 4.542 4.640 0.000 0.000 0.199 509 D C -0.835 175.299 176.300 -0.275 0.000 0.984 509 D CA 0.720 54.587 54.000 -0.221 0.000 0.834 509 D CB -0.812 39.897 40.800 -0.153 0.000 0.955 509 D HN 0.539 nan 8.370 nan 0.000 0.465 510 P HA -0.048 nan 4.420 nan 0.000 0.223 510 P C 0.702 177.928 177.300 -0.125 0.000 1.144 510 P CA 1.271 64.222 63.100 -0.248 0.000 0.783 510 P CB 0.067 31.613 31.700 -0.258 0.000 0.771 511 A N -1.308 121.455 122.820 -0.096 0.000 2.267 511 A HA 0.172 4.492 4.320 0.000 0.000 0.213 511 A C 1.580 179.127 177.584 -0.061 0.000 1.192 511 A CA 0.850 52.879 52.037 -0.014 0.000 0.851 511 A CB -0.360 18.685 19.000 0.076 0.000 0.881 511 A HN 0.183 nan 8.150 nan 0.000 0.494 512 V N -5.835 113.997 119.914 -0.137 0.000 3.359 512 V HA 0.366 4.486 4.120 0.000 0.000 0.270 512 V C -0.157 175.683 176.094 -0.424 0.000 1.583 512 V CA -0.314 61.867 62.300 -0.198 0.000 1.019 512 V CB -0.068 31.721 31.823 -0.057 0.000 0.831 512 V HN 0.040 nan 8.190 nan 0.000 0.426 513 K N 1.593 121.771 120.400 -0.370 0.000 2.156 513 K HA 0.662 4.982 4.320 0.000 0.000 0.271 513 K C -1.219 175.154 176.600 -0.379 0.000 0.995 513 K CA -0.313 55.773 56.287 -0.335 0.000 0.890 513 K CB 1.715 34.132 32.500 -0.139 0.000 1.073 513 K HN 0.288 nan 8.250 nan 0.000 0.454 514 F N -0.565 119.429 119.950 0.073 0.000 2.557 514 F HA 0.515 5.042 4.527 0.000 0.000 0.336 514 F C 1.412 177.239 175.800 0.045 0.000 1.058 514 F CA -0.811 57.230 58.000 0.069 0.000 0.988 514 F CB 0.686 39.750 39.000 0.106 0.000 1.275 514 F HN 0.552 nan 8.300 nan 0.000 0.488 515 G N -0.647 108.302 108.800 0.249 0.000 2.525 515 G HA2 0.465 4.425 3.960 0.000 0.000 0.287 515 G HA3 0.465 4.425 3.960 0.000 0.000 0.287 515 G C -0.206 174.757 174.900 0.105 0.000 1.350 515 G CA -0.596 44.582 45.100 0.130 0.000 1.039 515 G HN 0.880 nan 8.290 nan 0.000 0.513 516 G N -1.464 107.356 108.800 0.033 0.000 2.361 516 G HA2 0.440 4.400 3.960 0.000 0.000 0.260 516 G HA3 0.440 4.400 3.960 0.000 0.000 0.260 516 G C -0.611 174.224 174.900 -0.109 0.000 1.261 516 G CA -0.078 45.010 45.100 -0.021 0.000 0.897 516 G HN 0.529 nan 8.290 nan 0.000 0.499 517 V N 3.085 122.858 119.914 -0.235 0.000 2.495 517 V HA 0.240 4.360 4.120 0.000 0.000 0.298 517 V C -0.572 175.143 176.094 -0.632 0.000 1.031 517 V CA -0.864 61.111 62.300 -0.542 0.000 0.871 517 V CB 1.961 33.173 31.823 -1.020 0.000 0.988 517 V HN 0.757 nan 8.190 nan 0.000 0.432 518 D N 3.333 123.436 120.400 -0.495 0.000 2.456 518 D HA 0.281 4.921 4.640 0.000 0.000 0.219 518 D C 0.468 176.543 176.300 -0.375 0.000 1.126 518 D CA -0.266 53.538 54.000 -0.326 0.000 0.890 518 D CB 0.640 41.328 40.800 -0.187 0.000 1.025 518 D HN 0.360 nan 8.370 nan 0.000 0.511 519 F N 2.019 121.872 119.950 -0.162 0.000 2.558 519 F HA -0.077 4.450 4.527 0.000 0.000 0.298 519 F C 2.287 177.988 175.800 -0.164 0.000 1.119 519 F CA 0.074 57.968 58.000 -0.176 0.000 1.451 519 F CB -0.111 38.744 39.000 -0.243 0.000 1.091 519 F HN 0.265 nan 8.300 nan 0.000 0.563 520 V N 0.105 120.007 119.914 -0.020 0.000 2.261 520 V HA -0.306 3.814 4.120 0.000 0.000 0.246 520 V C 2.607 178.662 176.094 -0.065 0.000 1.047 520 V CA 1.997 64.251 62.300 -0.077 0.000 1.015 520 V CB -1.257 30.513 31.823 -0.089 0.000 0.642 520 V HN 0.340 nan 8.190 nan 0.000 0.446 521 A N -0.689 122.088 122.820 -0.072 0.000 1.969 521 A HA -0.157 4.163 4.320 0.000 0.000 0.218 521 A C 2.136 179.690 177.584 -0.051 0.000 1.169 521 A CA 1.844 53.844 52.037 -0.062 0.000 0.635 521 A CB -0.503 18.453 19.000 -0.074 0.000 0.810 521 A HN 0.448 nan 8.150 nan 0.000 0.445 522 L N -0.295 120.891 121.223 -0.062 0.000 2.005 522 L HA -0.058 4.282 4.340 0.000 0.000 0.207 522 L C 2.783 179.672 176.870 0.033 0.000 1.072 522 L CA 2.082 56.907 54.840 -0.025 0.000 0.744 522 L CB -0.670 41.362 42.059 -0.045 0.000 0.895 522 L HN 0.338 nan 8.230 nan 0.000 0.433 523 A N -0.939 121.912 122.820 0.051 0.000 1.908 523 A HA -0.285 4.035 4.320 0.000 0.000 0.218 523 A C 2.233 179.826 177.584 0.016 0.000 1.181 523 A CA 2.096 54.160 52.037 0.045 0.000 0.627 523 A CB -0.737 18.259 19.000 -0.006 0.000 0.818 523 A HN 0.588 nan 8.150 nan 0.000 0.445 524 E N -0.630 119.566 120.200 -0.007 0.000 2.150 524 E HA -0.049 4.301 4.350 0.000 0.000 0.193 524 E C 2.218 178.822 176.600 0.006 0.000 0.985 524 E CA 0.800 57.198 56.400 -0.003 0.000 0.814 524 E CB -0.236 29.456 29.700 -0.014 0.000 0.752 524 E HN 0.627 nan 8.360 nan 0.000 0.466 525 A N 1.228 124.050 122.820 0.004 0.000 1.972 525 A HA -0.152 4.168 4.320 0.000 0.000 0.219 525 A C 1.685 179.279 177.584 0.017 0.000 1.169 525 A CA 1.123 53.164 52.037 0.007 0.000 0.635 525 A CB -0.228 18.773 19.000 0.002 0.000 0.810 525 A HN 0.168 nan 8.150 nan 0.000 0.446 526 N N -0.720 117.996 118.700 0.025 0.000 2.383 526 N HA 0.118 4.858 4.740 0.000 0.000 0.192 526 N C 0.963 176.492 175.510 0.032 0.000 1.141 526 N CA 0.866 53.935 53.050 0.031 0.000 0.851 526 N CB 0.346 38.858 38.487 0.042 0.000 0.976 526 N HN 0.619 nan 8.380 nan 0.000 0.465 527 G N 0.538 109.355 108.800 0.029 0.000 2.147 527 G HA2 -0.241 3.719 3.960 0.000 0.000 0.244 527 G HA3 -0.241 3.719 3.960 0.000 0.000 0.244 527 G C -0.206 174.719 174.900 0.041 0.000 1.005 527 G CA -0.051 45.068 45.100 0.032 0.000 0.713 527 G HN 0.170 nan 8.290 nan 0.000 0.515 528 V N 1.421 121.359 119.914 0.040 0.000 2.384 528 V HA 0.377 4.497 4.120 0.000 0.000 0.287 528 V C 0.007 176.120 176.094 0.031 0.000 1.020 528 V CA -1.237 61.092 62.300 0.048 0.000 0.850 528 V CB 1.609 33.458 31.823 0.043 0.000 0.987 528 V HN 0.271 nan 8.190 nan 0.000 0.436 529 D N 3.764 124.218 120.400 0.090 0.000 2.414 529 D HA 0.557 5.197 4.640 0.000 0.000 0.242 529 D C 0.183 176.408 176.300 -0.126 0.000 1.129 529 D CA 0.488 54.554 54.000 0.109 0.000 0.885 529 D CB 1.765 42.736 40.800 0.286 0.000 1.198 529 D HN 0.782 nan 8.370 nan 0.000 0.437 530 A N 1.075 123.743 122.820 -0.253 0.000 2.594 530 A HA 0.736 5.056 4.320 0.000 0.000 0.291 530 A C -0.522 176.825 177.584 -0.395 0.000 1.105 530 A CA -0.583 51.090 52.037 -0.607 0.000 0.694 530 A CB 2.429 21.222 19.000 -0.345 0.000 1.291 530 A HN 0.431 nan 8.150 nan 0.000 0.410 531 T N -0.672 113.622 114.554 -0.433 0.000 2.821 531 T HA 0.580 4.930 4.350 0.000 0.000 0.306 531 T C -1.259 173.345 174.700 -0.159 0.000 1.313 531 T CA -0.543 61.456 62.100 -0.167 0.000 1.012 531 T CB 1.395 70.270 68.868 0.011 0.000 1.298 531 T HN 0.857 nan 8.240 nan 0.000 0.502 532 R N 1.234 121.680 120.500 -0.090 0.000 2.407 532 R HA 0.803 5.143 4.340 0.000 0.000 0.303 532 R C -1.174 175.089 176.300 -0.062 0.000 0.981 532 R CA -0.498 55.552 56.100 -0.084 0.000 0.905 532 R CB 1.137 31.399 30.300 -0.064 0.000 1.099 532 R HN 0.693 nan 8.270 nan 0.000 0.459 533 A N 2.079 124.855 122.820 -0.073 0.000 2.359 533 A HA 0.353 4.673 4.320 0.000 0.000 0.303 533 A C 0.106 177.651 177.584 -0.064 0.000 1.066 533 A CA -0.631 51.372 52.037 -0.057 0.000 0.730 533 A CB 1.610 20.575 19.000 -0.057 0.000 1.211 533 A HN 0.870 nan 8.150 nan 0.000 0.439 534 T N -1.585 112.939 114.554 -0.050 0.000 3.040 534 T HA 0.305 4.655 4.350 0.000 0.000 0.266 534 T C 0.193 174.869 174.700 -0.040 0.000 1.005 534 T CA 0.391 62.461 62.100 -0.049 0.000 0.906 534 T CB -0.652 68.193 68.868 -0.039 0.000 1.082 534 T HN 0.919 nan 8.240 nan 0.000 0.531 535 N N -0.405 118.273 118.700 -0.036 0.000 2.934 535 N HA 0.417 5.157 4.740 0.000 0.000 0.253 535 N C 0.349 175.842 175.510 -0.029 0.000 1.466 535 N CA -1.154 51.879 53.050 -0.027 0.000 0.858 535 N CB 0.980 39.456 38.487 -0.019 0.000 1.459 535 N HN -0.198 nan 8.380 nan 0.000 0.532 536 R N -0.163 120.323 120.500 -0.023 0.000 2.096 536 R HA -0.185 4.155 4.340 0.000 0.000 0.240 536 R C 1.402 177.692 176.300 -0.016 0.000 1.139 536 R CA 2.042 58.130 56.100 -0.020 0.000 0.952 536 R CB -0.249 30.043 30.300 -0.013 0.000 0.854 536 R HN 0.770 nan 8.270 nan 0.000 0.436 537 E N 0.661 120.853 120.200 -0.014 0.000 2.051 537 E HA -0.220 4.130 4.350 0.000 0.000 0.192 537 E C 1.664 178.258 176.600 -0.011 0.000 0.991 537 E CA 1.351 57.744 56.400 -0.011 0.000 0.799 537 E CB 0.145 29.838 29.700 -0.011 0.000 0.748 537 E HN 0.396 nan 8.360 nan 0.000 0.449 538 E N 0.120 120.312 120.200 -0.014 0.000 2.107 538 E HA -0.166 4.184 4.350 0.000 0.000 0.191 538 E C 2.089 178.682 176.600 -0.013 0.000 0.982 538 E CA 0.523 56.916 56.400 -0.012 0.000 0.809 538 E CB -0.001 29.689 29.700 -0.017 0.000 0.756 538 E HN 0.168 nan 8.360 nan 0.000 0.459 539 L N 1.011 122.219 121.223 -0.024 0.000 2.027 539 L HA -0.141 4.199 4.340 0.000 0.000 0.206 539 L C 1.979 178.835 176.870 -0.023 0.000 1.074 539 L CA 1.508 56.328 54.840 -0.033 0.000 0.745 539 L CB -0.448 41.583 42.059 -0.047 0.000 0.898 539 L HN 0.116 nan 8.230 nan 0.000 0.433 540 L N -0.449 120.767 121.223 -0.013 0.000 1.990 540 L HA -0.265 4.075 4.340 0.000 0.000 0.213 540 L C 2.698 179.566 176.870 -0.004 0.000 1.072 540 L CA 1.529 56.368 54.840 -0.002 0.000 0.755 540 L CB -1.035 41.027 42.059 0.005 0.000 0.889 540 L HN 0.410 nan 8.230 nan 0.000 0.432 541 A N -0.132 122.686 122.820 -0.004 0.000 1.883 541 A HA -0.238 4.082 4.320 0.000 0.000 0.217 541 A C 2.516 180.095 177.584 -0.008 0.000 1.186 541 A CA 2.061 54.093 52.037 -0.007 0.000 0.624 541 A CB -0.885 18.113 19.000 -0.004 0.000 0.822 541 A HN 0.443 nan 8.150 nan 0.000 0.444 542 A N -0.504 122.329 122.820 0.021 0.000 1.902 542 A HA -0.049 4.271 4.320 0.000 0.000 0.217 542 A C 2.197 179.818 177.584 0.062 0.000 1.181 542 A CA 1.569 53.664 52.037 0.097 0.000 0.623 542 A CB -0.626 18.444 19.000 0.118 0.000 0.818 542 A HN 0.476 nan 8.150 nan 0.000 0.443 543 L N -1.277 119.935 121.223 -0.018 0.000 2.083 543 L HA -0.169 4.171 4.340 0.000 0.000 0.209 543 L C 2.852 179.680 176.870 -0.070 0.000 1.083 543 L CA 1.436 56.211 54.840 -0.108 0.000 0.752 543 L CB -0.370 41.602 42.059 -0.145 0.000 0.899 543 L HN 0.328 nan 8.230 nan 0.000 0.433 544 R N -0.155 120.325 120.500 -0.033 0.000 2.092 544 R HA -0.169 4.171 4.340 0.000 0.000 0.231 544 R C 2.287 178.539 176.300 -0.079 0.000 1.119 544 R CA 1.191 57.280 56.100 -0.018 0.000 0.970 544 R CB -0.188 30.108 30.300 -0.007 0.000 0.864 544 R HN 0.245 nan 8.270 nan 0.000 0.440 545 K N 0.241 120.550 120.400 -0.151 0.000 2.002 545 K HA -0.122 4.198 4.320 0.000 0.000 0.209 545 K C 2.086 178.431 176.600 -0.424 0.000 1.048 545 K CA 1.804 57.918 56.287 -0.290 0.000 0.930 545 K CB -0.403 31.871 32.500 -0.377 0.000 0.714 545 K HN 0.231 nan 8.250 nan 0.000 0.438 546 G N 0.171 108.664 108.800 -0.512 0.000 2.442 546 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 546 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 546 G C 1.567 176.407 174.900 -0.101 0.000 1.141 546 G CA 0.927 45.796 45.100 -0.385 0.000 0.763 546 G HN 0.473 nan 8.290 nan 0.000 0.554 547 A N 0.105 122.913 122.820 -0.020 0.000 1.969 547 A HA 0.290 4.610 4.320 0.000 0.000 0.218 547 A C 2.194 179.808 177.584 0.050 0.000 1.169 547 A CA 2.229 54.338 52.037 0.120 0.000 0.635 547 A CB -0.385 18.745 19.000 0.217 0.000 0.810 547 A HN 0.574 nan 8.150 nan 0.000 0.445 548 E N -0.988 119.200 120.200 -0.021 0.000 2.481 548 E HA 0.421 4.771 4.350 0.000 0.000 0.198 548 E C 1.487 178.056 176.600 -0.053 0.000 1.027 548 E CA 0.482 56.865 56.400 -0.027 0.000 0.900 548 E CB -0.510 29.170 29.700 -0.033 0.000 0.993 548 E HN 0.429 nan 8.360 nan 0.000 0.482 549 L N -0.202 120.970 121.223 -0.086 0.000 2.313 549 L HA 0.299 4.639 4.340 0.000 0.000 0.214 549 L C 2.071 178.919 176.870 -0.035 0.000 1.119 549 L CA 1.796 56.578 54.840 -0.096 0.000 0.809 549 L CB -0.000 41.955 42.059 -0.172 0.000 0.933 549 L HN 0.499 nan 8.230 nan 0.000 0.449 550 G N 0.221 109.016 108.800 -0.008 0.000 2.203 550 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 550 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 550 G C 0.496 175.410 174.900 0.022 0.000 1.012 550 G CA 0.718 45.825 45.100 0.012 0.000 0.749 550 G HN 0.439 nan 8.290 nan 0.000 0.512 551 R N -0.599 119.920 120.500 0.032 0.000 2.739 551 R HA 0.445 4.785 4.340 0.000 0.000 0.271 551 R C -2.699 173.655 176.300 0.090 0.000 1.010 551 R CA -1.893 54.240 56.100 0.055 0.000 0.897 551 R CB 2.288 32.621 30.300 0.055 0.000 1.236 551 R HN 0.042 nan 8.270 nan 0.000 0.466 552 P HA 0.096 nan 4.420 nan 0.000 0.270 552 P C -1.082 176.357 177.300 0.232 0.000 1.223 552 P CA 0.221 63.403 63.100 0.137 0.000 0.785 552 P CB 0.562 32.323 31.700 0.102 0.000 0.923 553 F N 1.379 121.327 119.950 -0.004 0.000 2.608 553 F HA 0.560 5.087 4.527 0.000 0.000 0.309 553 F C -1.545 174.222 175.800 -0.056 0.000 1.103 553 F CA -1.077 56.905 58.000 -0.030 0.000 0.954 553 F CB 1.613 40.585 39.000 -0.046 0.000 1.267 553 F HN 0.160 nan 8.300 nan 0.000 0.444 554 L N 5.969 126.853 121.223 -0.565 0.000 2.362 554 L HA 0.771 5.111 4.340 0.000 0.000 0.271 554 L C -1.578 174.899 176.870 -0.657 0.000 1.002 554 L CA -0.524 54.032 54.840 -0.472 0.000 0.818 554 L CB 1.748 43.624 42.059 -0.305 0.000 1.298 554 L HN 0.576 nan 8.230 nan 0.000 0.420 555 I N 3.673 123.978 120.570 -0.441 0.000 2.439 555 I HA 0.353 4.523 4.170 0.000 0.000 0.285 555 I C -0.663 175.269 176.117 -0.309 0.000 1.021 555 I CA -0.430 60.661 61.300 -0.348 0.000 1.091 555 I CB 1.930 39.792 38.000 -0.230 0.000 1.242 555 I HN 0.583 nan 8.210 nan 0.000 0.439 556 E N 6.202 126.254 120.200 -0.247 0.000 2.227 556 E HA 0.534 4.884 4.350 0.000 0.000 0.282 556 E C -1.498 175.001 176.600 -0.167 0.000 1.015 556 E CA -0.556 55.718 56.400 -0.209 0.000 0.823 556 E CB 1.532 31.175 29.700 -0.095 0.000 1.081 556 E HN 0.388 nan 8.360 nan 0.000 0.396 557 V N 7.164 126.967 119.914 -0.185 0.000 2.407 557 V HA 0.351 4.471 4.120 0.000 0.000 0.291 557 V C -2.238 173.767 176.094 -0.148 0.000 1.018 557 V CA -1.933 60.274 62.300 -0.156 0.000 0.842 557 V CB 1.425 33.145 31.823 -0.171 0.000 0.996 557 V HN 0.727 nan 8.190 nan 0.000 0.426 558 P HA 0.246 nan 4.420 nan 0.000 0.271 558 P C -0.569 176.634 177.300 -0.162 0.000 1.220 558 P CA 0.260 63.291 63.100 -0.114 0.000 0.768 558 P CB 1.438 33.088 31.700 -0.083 0.000 0.848 559 V N 1.102 120.888 119.914 -0.213 0.000 3.141 559 V HA 0.709 4.829 4.120 0.000 0.000 0.312 559 V C -0.738 175.131 176.094 -0.376 0.000 1.157 559 V CA -1.008 61.105 62.300 -0.310 0.000 1.041 559 V CB 2.223 33.816 31.823 -0.384 0.000 1.071 559 V HN 0.448 nan 8.190 nan 0.000 0.441 560 N N -0.603 117.827 118.700 -0.450 0.000 2.525 560 N HA 0.673 5.413 4.740 0.000 0.000 0.270 560 N C -1.034 174.183 175.510 -0.488 0.000 1.321 560 N CA -0.548 52.220 53.050 -0.471 0.000 0.797 560 N CB 2.100 40.430 38.487 -0.262 0.000 1.529 560 N HN 0.726 nan 8.380 nan 0.000 0.491 561 Y N 0.198 120.414 120.300 -0.141 0.000 2.539 561 Y HA 0.235 4.785 4.550 0.000 0.000 0.284 561 Y C 0.648 176.448 175.900 -0.168 0.000 1.134 561 Y CA 0.680 58.740 58.100 -0.066 0.000 1.251 561 Y CB -0.395 38.072 38.460 0.012 0.000 1.260 561 Y HN 0.764 nan 8.280 nan 0.000 0.528 562 D N 1.438 121.680 120.400 -0.263 0.000 3.301 562 D HA -0.223 4.417 4.640 0.000 0.000 0.220 562 D C 0.023 176.289 176.300 -0.056 0.000 1.173 562 D CA 0.534 54.410 54.000 -0.206 0.000 0.974 562 D CB -2.283 38.485 40.800 -0.054 0.000 0.853 562 D HN 0.287 nan 8.370 nan 0.000 0.396 563 F N 0.000 120.025 119.950 0.125 0.000 2.286 563 F HA 0.000 4.527 4.527 0.000 0.000 0.279 563 F CA 0.000 58.059 58.000 0.098 0.000 1.383 563 F CB 0.000 38.996 39.000 -0.007 0.000 1.145 563 F HN 0.000 nan 8.300 nan 0.000 0.574