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 1upb_1_A DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGMTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP MSKYAVELQR PHEITDLVDS AVNAAMTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXXNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY MDGILNFPAL QTMFAPVDLV LTVGYDYAED LRPSMWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG MRVHQVIDSM NTVMEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQMA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 0.000 177.266 177.300 -0.056 0.000 1.155 12 P CA 0.000 63.016 63.100 -0.140 0.000 0.800 12 P CB 0.000 31.561 31.700 -0.232 0.000 0.726 13 T N -2.117 112.436 114.554 -0.002 0.000 2.893 13 T HA 0.716 5.066 4.350 -0.001 0.000 0.279 13 T C 1.261 175.994 174.700 0.056 0.000 0.991 13 T CA -0.077 62.035 62.100 0.020 0.000 0.950 13 T CB 1.207 70.078 68.868 0.005 0.000 1.223 13 T HN 0.184 nan 8.240 nan 0.000 0.585 14 A N -0.086 122.761 122.820 0.044 0.000 2.070 14 A HA 0.268 4.587 4.320 -0.001 0.000 0.220 14 A C 2.525 180.135 177.584 0.043 0.000 1.159 14 A CA 1.630 53.697 52.037 0.050 0.000 0.656 14 A CB -1.557 17.466 19.000 0.039 0.000 0.800 14 A HN 1.169 nan 8.150 nan 0.000 0.453 15 A N -0.677 122.154 122.820 0.019 0.000 1.902 15 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 15 A C 1.992 179.556 177.584 -0.034 0.000 1.181 15 A CA 2.004 54.019 52.037 -0.037 0.000 0.623 15 A CB -0.851 18.077 19.000 -0.120 0.000 0.818 15 A HN 0.793 nan 8.150 nan 0.000 0.443 16 H N -0.401 118.629 119.070 -0.068 0.000 2.326 16 H HA 0.075 4.631 4.556 -0.001 0.000 0.301 16 H C 2.147 177.459 175.328 -0.026 0.000 1.081 16 H CA 1.853 57.870 56.048 -0.052 0.000 1.334 16 H CB -0.161 29.575 29.762 -0.043 0.000 1.385 16 H HN 0.393 nan 8.280 nan 0.000 0.504 17 A N 0.619 123.515 122.820 0.127 0.000 1.972 17 A HA -0.100 4.220 4.320 -0.001 0.000 0.219 17 A C 2.308 179.893 177.584 0.002 0.000 1.169 17 A CA 1.441 53.524 52.037 0.077 0.000 0.635 17 A CB -0.762 18.295 19.000 0.094 0.000 0.810 17 A HN 0.500 nan 8.150 nan 0.000 0.446 18 L N -0.196 121.033 121.223 0.010 0.000 1.988 18 L HA -0.070 4.269 4.340 -0.001 0.000 0.207 18 L C 2.270 179.146 176.870 0.010 0.000 1.071 18 L CA 1.820 56.679 54.840 0.032 0.000 0.744 18 L CB -0.783 41.331 42.059 0.091 0.000 0.893 18 L HN 0.374 nan 8.230 nan 0.000 0.433 19 L N -0.674 120.530 121.223 -0.031 0.000 2.046 19 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 19 L C 2.769 179.576 176.870 -0.105 0.000 1.077 19 L CA 1.567 56.380 54.840 -0.045 0.000 0.747 19 L CB -0.808 41.196 42.059 -0.091 0.000 0.896 19 L HN 0.509 nan 8.230 nan 0.000 0.432 20 S N -0.147 115.433 115.700 -0.201 0.000 2.382 20 S HA -0.235 4.234 4.470 -0.001 0.000 0.228 20 S C 2.204 176.732 174.600 -0.120 0.000 1.027 20 S CA 1.322 59.403 58.200 -0.198 0.000 0.991 20 S CB -0.109 62.937 63.200 -0.257 0.000 0.823 20 S HN 0.251 nan 8.310 nan 0.000 0.469 21 R N 0.957 121.396 120.500 -0.102 0.000 2.115 21 R HA 0.262 4.601 4.340 -0.001 0.000 0.226 21 R C 2.203 178.400 176.300 -0.172 0.000 1.100 21 R CA 1.222 57.235 56.100 -0.144 0.000 0.980 21 R CB -1.011 29.225 30.300 -0.108 0.000 0.875 21 R HN 0.528 nan 8.270 nan 0.000 0.445 22 L N 0.013 121.203 121.223 -0.055 0.000 2.046 22 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 22 L C 2.599 179.468 176.870 -0.001 0.000 1.077 22 L CA 1.236 56.085 54.840 0.015 0.000 0.747 22 L CB -0.484 41.617 42.059 0.070 0.000 0.896 22 L HN 0.129 nan 8.230 nan 0.000 0.432 23 R N 0.525 121.005 120.500 -0.033 0.000 2.091 23 R HA -0.173 4.166 4.340 -0.001 0.000 0.238 23 R C 1.822 178.100 176.300 -0.036 0.000 1.136 23 R CA 1.709 57.791 56.100 -0.030 0.000 0.959 23 R CB -0.716 29.555 30.300 -0.049 0.000 0.856 23 R HN 0.399 nan 8.270 nan 0.000 0.437 24 D N -0.467 119.877 120.400 -0.092 0.000 2.149 24 D HA -0.155 4.485 4.640 -0.001 0.000 0.198 24 D C 1.303 177.574 176.300 -0.050 0.000 0.990 24 D CA 1.124 55.059 54.000 -0.108 0.000 0.839 24 D CB -0.290 40.391 40.800 -0.197 0.000 0.948 24 D HN 0.331 nan 8.370 nan 0.000 0.460 25 H N -0.794 118.280 119.070 0.006 0.000 2.536 25 H HA 0.300 4.855 4.556 -0.001 0.000 0.276 25 H C 1.608 176.942 175.328 0.011 0.000 1.019 25 H CA 0.605 56.658 56.048 0.008 0.000 1.159 25 H CB 0.196 29.963 29.762 0.008 0.000 1.373 25 H HN 0.235 nan 8.280 nan 0.000 0.584 26 G N 0.138 108.999 108.800 0.101 0.000 2.175 26 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.244 26 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.244 26 G C 0.289 175.220 174.900 0.052 0.000 0.982 26 G CA 0.259 45.398 45.100 0.065 0.000 0.641 26 G HN 0.256 nan 8.290 nan 0.000 0.527 27 V N 1.074 121.024 119.914 0.060 0.000 2.529 27 V HA 0.495 4.614 4.120 -0.001 0.000 0.292 27 V C 1.605 177.706 176.094 0.013 0.000 1.028 27 V CA 1.290 63.617 62.300 0.045 0.000 1.074 27 V CB 1.238 33.099 31.823 0.063 0.000 0.958 27 V HN 0.668 nan 8.190 nan 0.000 0.481 28 G N 4.684 113.479 108.800 -0.009 0.000 3.062 28 G HA2 0.190 4.149 3.960 -0.001 0.000 0.228 28 G HA3 0.190 4.149 3.960 -0.001 0.000 0.228 28 G C 0.435 175.281 174.900 -0.090 0.000 1.094 28 G CA -0.147 44.932 45.100 -0.035 0.000 0.782 28 G HN 0.511 nan 8.290 nan 0.000 0.541 29 K N 0.520 120.836 120.400 -0.140 0.000 2.464 29 K HA 0.598 4.918 4.320 -0.001 0.000 0.253 29 K C -1.631 174.759 176.600 -0.350 0.000 0.933 29 K CA -0.639 55.450 56.287 -0.330 0.000 0.801 29 K CB 3.056 35.230 32.500 -0.543 0.000 1.271 29 K HN -0.129 nan 8.250 nan 0.000 0.430 30 V N 3.382 123.014 119.914 -0.470 0.000 2.407 30 V HA 0.404 4.524 4.120 -0.001 0.000 0.291 30 V C -0.744 174.849 176.094 -0.835 0.000 1.018 30 V CA -0.832 61.230 62.300 -0.397 0.000 0.842 30 V CB 0.545 32.262 31.823 -0.176 0.000 0.996 30 V HN 0.532 nan 8.190 nan 0.000 0.426 31 F N 3.013 122.713 119.950 -0.417 0.000 2.384 31 F HA 0.836 5.363 4.527 -0.001 0.000 0.338 31 F C 1.026 176.564 175.800 -0.437 0.000 1.103 31 F CA 0.434 58.138 58.000 -0.494 0.000 1.157 31 F CB 1.747 40.592 39.000 -0.259 0.000 1.167 31 F HN 0.703 nan 8.300 nan 0.000 0.529 32 G N 0.710 109.317 108.800 -0.321 0.000 2.321 32 G HA2 0.457 4.416 3.960 -0.001 0.000 0.296 32 G HA3 0.457 4.416 3.960 -0.001 0.000 0.296 32 G C -2.390 172.700 174.900 0.317 0.000 1.287 32 G CA -0.810 44.358 45.100 0.113 0.000 0.846 32 G HN 0.473 nan 8.290 nan 0.000 0.508 33 V N 0.256 120.418 119.914 0.414 0.000 2.531 33 V HA 0.599 4.719 4.120 -0.001 0.000 0.301 33 V C 0.060 176.377 176.094 0.372 0.000 1.034 33 V CA -0.736 61.761 62.300 0.329 0.000 0.865 33 V CB 1.391 33.318 31.823 0.173 0.000 0.995 33 V HN 0.729 nan 8.190 nan 0.000 0.424 34 V N 3.995 124.026 119.914 0.195 0.000 2.509 34 V HA 0.773 4.893 4.120 -0.001 0.000 0.284 34 V C 0.909 177.086 176.094 0.138 0.000 1.047 34 V CA 0.352 62.734 62.300 0.137 0.000 0.952 34 V CB 1.255 32.960 31.823 -0.196 0.000 0.988 34 V HN 0.979 nan 8.190 nan 0.000 0.469 35 G N 3.417 112.334 108.800 0.195 0.000 2.890 35 G HA2 0.338 4.297 3.960 -0.001 0.000 0.189 35 G HA3 0.338 4.297 3.960 -0.001 0.000 0.189 35 G C 0.732 175.693 174.900 0.102 0.000 1.342 35 G CA -0.266 44.909 45.100 0.125 0.000 1.026 35 G HN 0.743 nan 8.290 nan 0.000 0.579 36 R N -0.052 120.496 120.500 0.081 0.000 2.316 36 R HA 0.034 4.373 4.340 -0.001 0.000 0.202 36 R C 1.601 177.940 176.300 0.065 0.000 1.029 36 R CA 1.576 57.712 56.100 0.061 0.000 1.018 36 R CB -0.158 30.174 30.300 0.052 0.000 0.888 36 R HN 0.532 nan 8.270 nan 0.000 0.471 37 E N 1.577 121.840 120.200 0.105 0.000 2.463 37 E HA -0.135 4.214 4.350 -0.001 0.000 0.201 37 E C 1.511 178.155 176.600 0.073 0.000 1.045 37 E CA 1.059 57.532 56.400 0.121 0.000 0.872 37 E CB -0.065 29.776 29.700 0.234 0.000 0.797 37 E HN 0.464 nan 8.360 nan 0.000 0.538 38 A N 1.771 124.618 122.820 0.045 0.000 2.032 38 A HA -0.094 4.226 4.320 -0.001 0.000 0.221 38 A C 2.481 180.037 177.584 -0.046 0.000 1.165 38 A CA 1.973 53.991 52.037 -0.031 0.000 0.645 38 A CB -0.678 18.308 19.000 -0.025 0.000 0.807 38 A HN 0.450 nan 8.150 nan 0.000 0.453 39 A N -1.125 121.687 122.820 -0.013 0.000 2.019 39 A HA -0.003 4.316 4.320 -0.001 0.000 0.219 39 A C 2.284 179.851 177.584 -0.029 0.000 1.164 39 A CA 1.984 54.012 52.037 -0.016 0.000 0.644 39 A CB -0.393 18.610 19.000 0.005 0.000 0.805 39 A HN 0.457 nan 8.150 nan 0.000 0.449 40 S N -1.922 113.759 115.700 -0.032 0.000 2.497 40 S HA 0.378 4.847 4.470 -0.001 0.000 0.218 40 S C 0.341 174.872 174.600 -0.115 0.000 1.023 40 S CA -0.016 58.158 58.200 -0.043 0.000 0.913 40 S CB 0.142 63.341 63.200 -0.002 0.000 0.800 40 S HN 0.487 nan 8.310 nan 0.000 0.505 41 I N 1.094 121.544 120.570 -0.200 0.000 2.534 41 I HA 0.331 4.500 4.170 -0.001 0.000 0.288 41 I C -0.112 175.709 176.117 -0.494 0.000 1.077 41 I CA -0.510 60.524 61.300 -0.443 0.000 1.051 41 I CB 1.452 39.027 38.000 -0.708 0.000 1.234 41 I HN 0.048 nan 8.210 nan 0.000 0.425 42 L N 6.738 127.706 121.223 -0.426 0.000 2.253 42 L HA 0.220 4.559 4.340 -0.001 0.000 0.205 42 L C 0.288 177.049 176.870 -0.181 0.000 1.078 42 L CA 0.724 55.414 54.840 -0.250 0.000 0.805 42 L CB 0.098 42.072 42.059 -0.141 0.000 0.963 42 L HN 0.838 nan 8.230 nan 0.000 0.459 43 F N -0.339 119.472 119.950 -0.233 0.000 2.536 43 F HA -0.212 4.314 4.527 -0.001 0.000 0.299 43 F C 0.726 176.459 175.800 -0.111 0.000 0.654 43 F CA 0.625 58.503 58.000 -0.204 0.000 1.632 43 F CB -1.827 37.005 39.000 -0.280 0.000 2.021 43 F HN 0.340 nan 8.300 nan 0.000 0.311 44 D N -0.764 119.636 120.400 -0.000 0.000 2.440 44 D HA 0.168 4.808 4.640 -0.001 0.000 0.216 44 D C 1.262 177.556 176.300 -0.009 0.000 1.150 44 D CA 0.317 54.320 54.000 0.005 0.000 0.832 44 D CB -0.020 40.780 40.800 -0.001 0.000 0.992 44 D HN 0.298 nan 8.370 nan 0.000 0.502 45 E N -0.192 119.987 120.200 -0.036 0.000 2.204 45 E HA 0.053 4.402 4.350 -0.001 0.000 0.194 45 E C 0.076 176.684 176.600 0.012 0.000 0.989 45 E CA 0.659 57.065 56.400 0.010 0.000 0.824 45 E CB 0.408 30.105 29.700 -0.005 0.000 0.756 45 E HN 0.114 nan 8.360 nan 0.000 0.477 46 V N 1.235 121.116 119.914 -0.055 0.000 2.443 46 V HA 0.379 4.498 4.120 -0.001 0.000 0.293 46 V C -0.157 175.919 176.094 -0.030 0.000 1.021 46 V CA -0.530 61.721 62.300 -0.083 0.000 0.848 46 V CB 1.012 32.733 31.823 -0.170 0.000 0.998 46 V HN 0.185 nan 8.190 nan 0.000 0.424 47 E N 2.347 122.541 120.200 -0.011 0.000 2.384 47 E HA 0.465 4.814 4.350 -0.001 0.000 0.266 47 E C 1.364 177.957 176.600 -0.012 0.000 1.012 47 E CA 0.433 56.830 56.400 -0.004 0.000 0.901 47 E CB 0.625 30.328 29.700 0.004 0.000 0.967 47 E HN 2.023 nan 8.360 nan 0.000 0.435 48 G N 1.078 109.872 108.800 -0.010 0.000 2.218 48 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.216 48 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.216 48 G C 0.348 175.237 174.900 -0.019 0.000 0.994 48 G CA 0.071 45.163 45.100 -0.013 0.000 0.637 48 G HN 0.985 nan 8.290 nan 0.000 0.505 49 I N 2.139 122.700 120.570 -0.015 0.000 2.410 49 I HA 0.429 4.599 4.170 -0.001 0.000 0.286 49 I C -1.297 174.817 176.117 -0.004 0.000 1.009 49 I CA -0.843 60.448 61.300 -0.014 0.000 1.111 49 I CB 1.313 39.315 38.000 0.003 0.000 1.262 49 I HN -0.039 nan 8.210 nan 0.000 0.443 50 D N 6.898 127.268 120.400 -0.050 0.000 2.185 50 D HA 0.254 4.893 4.640 -0.001 0.000 0.247 50 D C -0.801 175.428 176.300 -0.119 0.000 1.027 50 D CA -0.128 53.840 54.000 -0.054 0.000 0.861 50 D CB 2.193 42.938 40.800 -0.090 0.000 1.202 50 D HN 0.197 nan 8.370 nan 0.000 0.453 51 F N 1.415 121.220 119.950 -0.242 0.000 2.396 51 F HA 0.263 4.790 4.527 -0.001 0.000 0.343 51 F C -0.212 175.396 175.800 -0.321 0.000 1.104 51 F CA -0.383 57.379 58.000 -0.397 0.000 1.161 51 F CB 0.881 39.559 39.000 -0.537 0.000 1.146 51 F HN -0.026 nan 8.300 nan 0.000 0.522 52 V N 7.905 127.277 119.914 -0.903 0.000 2.313 52 V HA 0.225 4.344 4.120 -0.001 0.000 0.278 52 V C -0.523 175.286 176.094 -0.475 0.000 1.017 52 V CA -0.828 61.143 62.300 -0.548 0.000 0.823 52 V CB 0.982 32.423 31.823 -0.638 0.000 1.010 52 V HN 0.591 nan 8.190 nan 0.000 0.443 53 L N 6.518 127.697 121.223 -0.074 0.000 2.319 53 L HA 0.652 4.991 4.340 -0.001 0.000 0.280 53 L C 0.697 177.605 176.870 0.064 0.000 1.099 53 L CA 0.895 55.806 54.840 0.119 0.000 0.828 53 L CB 1.328 43.516 42.059 0.214 0.000 1.150 53 L HN 0.863 nan 8.230 nan 0.000 0.442 54 T N 1.754 116.357 114.554 0.080 0.000 2.919 54 T HA 0.528 4.877 4.350 -0.001 0.000 0.282 54 T C 0.948 175.701 174.700 0.090 0.000 1.020 54 T CA -0.769 61.373 62.100 0.071 0.000 0.994 54 T CB 1.249 70.151 68.868 0.057 0.000 1.180 54 T HN 0.506 nan 8.240 nan 0.000 0.566 55 R N -0.367 120.186 120.500 0.087 0.000 2.210 55 R HA 0.243 4.582 4.340 -0.001 0.000 0.203 55 R C 0.469 176.866 176.300 0.162 0.000 1.010 55 R CA 0.508 56.667 56.100 0.099 0.000 1.008 55 R CB -0.590 29.751 30.300 0.068 0.000 0.923 55 R HN 0.787 nan 8.270 nan 0.000 0.469 56 H N -0.600 118.501 119.070 0.052 0.000 3.046 56 H HA 0.141 4.696 4.556 -0.001 0.000 0.363 56 H C -0.213 175.172 175.328 0.095 0.000 1.203 56 H CA -0.234 55.859 56.048 0.075 0.000 1.169 56 H CB 1.946 31.755 29.762 0.078 0.000 1.851 56 H HN -0.218 nan 8.280 nan 0.000 0.546 57 E N 2.620 122.716 120.200 -0.175 0.000 2.150 57 E HA -0.103 4.246 4.350 -0.001 0.000 0.193 57 E C 1.544 178.236 176.600 0.152 0.000 0.985 57 E CA 1.059 57.458 56.400 -0.002 0.000 0.814 57 E CB -0.039 29.627 29.700 -0.057 0.000 0.752 57 E HN 0.454 nan 8.360 nan 0.000 0.466 58 F N 1.502 121.583 119.950 0.218 0.000 2.095 58 F HA -0.268 4.259 4.527 -0.001 0.000 0.298 58 F C 2.050 177.898 175.800 0.079 0.000 1.104 58 F CA 1.833 59.949 58.000 0.193 0.000 1.232 58 F CB -0.810 38.351 39.000 0.268 0.000 0.987 58 F HN -0.083 nan 8.300 nan 0.000 0.475 59 T N 0.865 115.374 114.554 -0.074 0.000 2.699 59 T HA -0.249 4.100 4.350 -0.001 0.000 0.268 59 T C 2.183 176.702 174.700 -0.301 0.000 1.036 59 T CA 1.663 63.592 62.100 -0.286 0.000 1.147 59 T CB -0.920 67.902 68.868 -0.077 0.000 0.862 59 T HN 0.431 nan 8.240 nan 0.000 0.446 60 A N 1.166 123.903 122.820 -0.137 0.000 1.898 60 A HA 0.161 4.481 4.320 -0.001 0.000 0.216 60 A C 2.641 180.116 177.584 -0.180 0.000 1.181 60 A CA 1.790 53.764 52.037 -0.104 0.000 0.620 60 A CB -1.274 17.753 19.000 0.044 0.000 0.819 60 A HN 0.516 nan 8.150 nan 0.000 0.442 61 G N -0.643 108.074 108.800 -0.138 0.000 2.402 61 G HA2 -0.073 3.886 3.960 -0.001 0.000 0.216 61 G HA3 -0.073 3.886 3.960 -0.001 0.000 0.216 61 G C 1.483 176.241 174.900 -0.238 0.000 1.162 61 G CA 1.200 46.229 45.100 -0.119 0.000 0.777 61 G HN 0.308 nan 8.290 nan 0.000 0.539 62 V N 1.486 121.161 119.914 -0.399 0.000 2.427 62 V HA -0.084 4.035 4.120 -0.001 0.000 0.248 62 V C 3.282 179.085 176.094 -0.485 0.000 1.051 62 V CA 1.876 63.908 62.300 -0.447 0.000 1.048 62 V CB -0.679 30.722 31.823 -0.705 0.000 0.666 62 V HN 0.465 nan 8.190 nan 0.000 0.456 63 A N 0.072 122.525 122.820 -0.612 0.000 1.898 63 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 63 A C 2.434 179.525 177.584 -0.822 0.000 1.181 63 A CA 1.920 53.473 52.037 -0.807 0.000 0.620 63 A CB -0.719 17.574 19.000 -1.180 0.000 0.819 63 A HN 0.546 nan 8.150 nan 0.000 0.442 64 A N 0.158 122.554 122.820 -0.707 0.000 1.902 64 A HA -0.237 4.083 4.320 -0.001 0.000 0.217 64 A C 1.967 179.447 177.584 -0.174 0.000 1.181 64 A CA 1.904 53.771 52.037 -0.284 0.000 0.623 64 A CB -0.678 18.294 19.000 -0.046 0.000 0.818 64 A HN 0.667 nan 8.150 nan 0.000 0.443 65 D N -0.105 120.184 120.400 -0.185 0.000 2.104 65 D HA -0.140 4.499 4.640 -0.001 0.000 0.194 65 D C 1.873 178.086 176.300 -0.146 0.000 0.994 65 D CA 1.998 55.926 54.000 -0.121 0.000 0.830 65 D CB -0.022 40.726 40.800 -0.086 0.000 0.959 65 D HN 0.226 nan 8.370 nan 0.000 0.452 66 V N 0.928 120.716 119.914 -0.209 0.000 2.488 66 V HA -0.172 3.947 4.120 -0.001 0.000 0.246 66 V C 2.582 178.571 176.094 -0.175 0.000 1.046 66 V CA 0.871 63.043 62.300 -0.213 0.000 1.053 66 V CB -0.364 31.298 31.823 -0.269 0.000 0.679 66 V HN 0.208 nan 8.190 nan 0.000 0.458 67 L N 1.085 122.214 121.223 -0.157 0.000 2.042 67 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 67 L C 2.430 179.279 176.870 -0.036 0.000 1.076 67 L CA 2.421 57.222 54.840 -0.065 0.000 0.749 67 L CB -0.908 41.154 42.059 0.005 0.000 0.893 67 L HN 0.239 nan 8.230 nan 0.000 0.432 68 A N -0.632 122.161 122.820 -0.046 0.000 1.930 68 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 68 A C 2.524 180.082 177.584 -0.044 0.000 1.175 68 A CA 1.627 53.649 52.037 -0.025 0.000 0.627 68 A CB -0.603 18.385 19.000 -0.021 0.000 0.815 68 A HN 0.509 nan 8.150 nan 0.000 0.443 69 R N -0.311 120.120 120.500 -0.116 0.000 2.075 69 R HA -0.027 4.312 4.340 -0.001 0.000 0.232 69 R C 1.790 178.014 176.300 -0.126 0.000 1.126 69 R CA 1.754 57.730 56.100 -0.207 0.000 0.963 69 R CB -0.302 29.735 30.300 -0.440 0.000 0.858 69 R HN 0.545 nan 8.270 nan 0.000 0.435 70 I N 0.099 120.620 120.570 -0.081 0.000 2.400 70 I HA -0.154 4.016 4.170 -0.001 0.000 0.248 70 I C 2.255 178.432 176.117 0.100 0.000 1.109 70 I CA 1.388 62.730 61.300 0.071 0.000 1.425 70 I CB -0.251 37.772 38.000 0.037 0.000 1.094 70 I HN 0.347 nan 8.210 nan 0.000 0.425 71 T N -1.633 112.953 114.554 0.053 0.000 2.951 71 T HA 0.062 4.412 4.350 -0.001 0.000 0.268 71 T C 1.724 176.460 174.700 0.059 0.000 1.073 71 T CA 0.719 62.852 62.100 0.055 0.000 1.134 71 T CB -0.241 68.652 68.868 0.041 0.000 0.884 71 T HN 0.511 nan 8.240 nan 0.000 0.479 72 G N 1.680 110.516 108.800 0.060 0.000 2.153 72 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.252 72 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.252 72 G C 0.059 174.978 174.900 0.032 0.000 0.994 72 G CA 0.124 45.258 45.100 0.056 0.000 0.698 72 G HN 0.721 nan 8.290 nan 0.000 0.521 73 R N -0.141 120.376 120.500 0.028 0.000 2.740 73 R HA 0.478 4.817 4.340 -0.001 0.000 0.282 73 R C -2.782 173.531 176.300 0.020 0.000 0.969 73 R CA -2.215 53.899 56.100 0.022 0.000 0.918 73 R CB 1.677 31.997 30.300 0.033 0.000 1.175 73 R HN -0.013 nan 8.270 nan 0.000 0.464 74 P HA -0.047 nan 4.420 nan 0.000 0.265 74 P C -0.776 176.557 177.300 0.054 0.000 1.193 74 P CA 0.316 63.428 63.100 0.021 0.000 0.765 74 P CB 0.668 32.367 31.700 -0.001 0.000 0.823 75 Q N 1.045 120.883 119.800 0.064 0.000 2.552 75 Q HA 0.841 5.180 4.340 -0.001 0.000 0.289 75 Q C -0.892 175.178 176.000 0.116 0.000 1.097 75 Q CA -0.939 54.922 55.803 0.098 0.000 0.812 75 Q CB 2.509 31.311 28.738 0.106 0.000 1.460 75 Q HN 0.419 nan 8.270 nan 0.000 0.452 76 A N 0.166 123.079 122.820 0.156 0.000 2.475 76 A HA 0.828 5.148 4.320 -0.001 0.000 0.301 76 A C -0.554 177.158 177.584 0.213 0.000 1.059 76 A CA -0.506 51.633 52.037 0.170 0.000 0.710 76 A CB 0.819 19.922 19.000 0.171 0.000 1.288 76 A HN 0.849 nan 8.150 nan 0.000 0.408 77 C N -0.566 118.861 119.300 0.211 0.000 3.154 77 C HA 0.974 5.434 4.460 -0.001 0.000 0.312 77 C C -1.085 174.087 174.990 0.304 0.000 1.349 77 C CA -0.941 58.213 59.018 0.227 0.000 1.518 77 C CB 1.424 29.255 27.740 0.153 0.000 1.934 77 C HN 1.078 nan 8.230 nan 0.000 0.462 78 W N 1.108 122.475 121.300 0.111 0.000 3.259 78 W HA 0.640 5.300 4.660 -0.001 0.000 0.331 78 W C -1.093 175.532 176.519 0.176 0.000 1.144 78 W CA -0.048 57.406 57.345 0.181 0.000 1.227 78 W CB 2.121 31.747 29.460 0.276 0.000 1.371 78 W HN 1.309 nan 8.180 nan 0.000 0.491 79 A N 2.687 125.419 122.820 -0.147 0.000 2.566 79 A HA 0.633 4.952 4.320 -0.001 0.000 0.292 79 A C -0.628 176.907 177.584 -0.082 0.000 1.112 79 A CA -0.428 51.627 52.037 0.030 0.000 0.707 79 A CB 1.859 20.872 19.000 0.021 0.000 1.302 79 A HN 0.457 nan 8.150 nan 0.000 0.409 80 T N 0.075 114.681 114.554 0.087 0.000 2.729 80 T HA 0.489 4.839 4.350 -0.001 0.000 0.298 80 T C 0.655 175.354 174.700 -0.000 0.000 1.013 80 T CA 0.031 62.176 62.100 0.075 0.000 0.957 80 T CB -0.153 68.778 68.868 0.104 0.000 1.130 80 T HN 1.089 nan 8.240 nan 0.000 0.526 81 L N 0.046 121.266 121.223 -0.006 0.000 2.474 81 L HA 0.606 4.946 4.340 -0.001 0.000 0.259 81 L C 1.304 178.154 176.870 -0.034 0.000 1.232 81 L CA -0.133 54.691 54.840 -0.025 0.000 0.821 81 L CB -0.854 41.181 42.059 -0.039 0.000 1.108 81 L HN 0.930 nan 8.230 nan 0.000 0.495 82 G N 1.320 110.099 108.800 -0.035 0.000 2.602 82 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.310 82 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.310 82 G C -1.188 173.692 174.900 -0.033 0.000 1.183 82 G CA 0.329 45.404 45.100 -0.042 0.000 0.979 82 G HN 0.777 nan 8.290 nan 0.000 0.545 83 P HA 0.024 nan 4.420 nan 0.000 0.223 83 P C 1.925 179.206 177.300 -0.032 0.000 1.151 83 P CA 2.269 65.355 63.100 -0.025 0.000 0.787 83 P CB -0.626 31.065 31.700 -0.015 0.000 0.788 84 G N 0.891 109.676 108.800 -0.026 0.000 2.459 84 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 84 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 84 G C 1.558 176.445 174.900 -0.022 0.000 1.183 84 G CA 1.070 46.158 45.100 -0.020 0.000 0.776 84 G HN 0.145 nan 8.290 nan 0.000 0.552 85 M N 1.903 121.493 119.600 -0.018 0.000 2.080 85 M HA -0.134 4.345 4.480 -0.001 0.000 0.260 85 M C 2.787 179.052 176.300 -0.060 0.000 1.068 85 M CA 2.671 57.956 55.300 -0.025 0.000 1.109 85 M CB -1.254 31.340 32.600 -0.011 0.000 1.342 85 M HN 0.417 nan 8.290 nan 0.000 0.405 86 T N -1.095 113.427 114.554 -0.052 0.000 2.788 86 T HA -0.113 4.237 4.350 -0.001 0.000 0.268 86 T C 1.592 176.283 174.700 -0.014 0.000 1.044 86 T CA 1.622 63.694 62.100 -0.046 0.000 1.139 86 T CB -0.672 68.176 68.868 -0.033 0.000 0.867 86 T HN 0.331 nan 8.240 nan 0.000 0.454 87 N N 1.415 120.106 118.700 -0.016 0.000 2.120 87 N HA 0.018 4.757 4.740 -0.001 0.000 0.188 87 N C 1.688 177.234 175.510 0.059 0.000 1.024 87 N CA 0.884 53.933 53.050 -0.002 0.000 0.852 87 N CB -0.737 37.638 38.487 -0.187 0.000 1.003 87 N HN 0.320 nan 8.380 nan 0.000 0.424 88 L N 1.022 122.261 121.223 0.026 0.000 2.191 88 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 88 L C 2.186 179.096 176.870 0.066 0.000 1.103 88 L CA 1.224 56.101 54.840 0.062 0.000 0.769 88 L CB -0.738 41.347 42.059 0.043 0.000 0.908 88 L HN 0.230 nan 8.230 nan 0.000 0.438 89 S N -2.616 113.092 115.700 0.014 0.000 2.419 89 S HA -0.195 4.274 4.470 -0.001 0.000 0.233 89 S C 1.838 176.466 174.600 0.047 0.000 1.016 89 S CA 1.621 59.808 58.200 -0.021 0.000 0.974 89 S CB -0.897 62.257 63.200 -0.076 0.000 0.786 89 S HN 0.519 nan 8.310 nan 0.000 0.492 90 T N 1.474 116.098 114.554 0.117 0.000 2.821 90 T HA 0.097 4.447 4.350 -0.001 0.000 0.267 90 T C 1.974 176.868 174.700 0.324 0.000 1.046 90 T CA 1.242 63.447 62.100 0.174 0.000 1.139 90 T CB -0.997 67.934 68.868 0.105 0.000 0.871 90 T HN 0.643 nan 8.240 nan 0.000 0.454 91 G N 1.290 110.306 108.800 0.359 0.000 2.422 91 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.218 91 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.218 91 G C 1.516 176.476 174.900 0.101 0.000 1.146 91 G CA 0.381 45.595 45.100 0.191 0.000 0.769 91 G HN 0.478 nan 8.290 nan 0.000 0.547 92 I N 1.367 121.983 120.570 0.077 0.000 2.226 92 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 92 I C 3.268 179.409 176.117 0.040 0.000 1.100 92 I CA 1.001 62.327 61.300 0.042 0.000 1.374 92 I CB -0.170 37.827 38.000 -0.005 0.000 1.057 92 I HN 0.244 nan 8.210 nan 0.000 0.413 93 A N 0.083 122.932 122.820 0.048 0.000 1.933 93 A HA -0.195 4.124 4.320 -0.001 0.000 0.218 93 A C 2.363 179.981 177.584 0.056 0.000 1.175 93 A CA 2.291 54.351 52.037 0.039 0.000 0.628 93 A CB -1.010 18.010 19.000 0.034 0.000 0.814 93 A HN 0.370 nan 8.150 nan 0.000 0.444 94 T N -0.468 114.148 114.554 0.103 0.000 2.684 94 T HA -0.156 4.194 4.350 -0.001 0.000 0.267 94 T C 2.305 177.037 174.700 0.053 0.000 1.036 94 T CA 1.958 64.121 62.100 0.105 0.000 1.148 94 T CB -0.285 68.693 68.868 0.183 0.000 0.863 94 T HN 0.627 nan 8.240 nan 0.000 0.436 95 S N 0.126 115.851 115.700 0.042 0.000 2.406 95 S HA -0.026 4.443 4.470 -0.001 0.000 0.228 95 S C 2.156 176.766 174.600 0.016 0.000 1.020 95 S CA 0.901 59.113 58.200 0.021 0.000 0.965 95 S CB -0.415 62.797 63.200 0.020 0.000 0.798 95 S HN 0.267 nan 8.310 nan 0.000 0.488 96 V N 0.995 120.921 119.914 0.020 0.000 2.453 96 V HA 0.100 4.219 4.120 -0.001 0.000 0.247 96 V C 2.124 178.220 176.094 0.005 0.000 1.048 96 V CA 1.620 63.929 62.300 0.015 0.000 1.049 96 V CB -0.272 31.560 31.823 0.016 0.000 0.672 96 V HN 0.573 nan 8.190 nan 0.000 0.457 97 L N -0.612 120.611 121.223 -0.000 0.000 2.202 97 L HA 0.042 4.382 4.340 -0.001 0.000 0.205 97 L C 1.949 178.803 176.870 -0.027 0.000 1.083 97 L CA 1.107 55.938 54.840 -0.015 0.000 0.790 97 L CB -0.341 41.705 42.059 -0.020 0.000 0.942 97 L HN 0.284 nan 8.230 nan 0.000 0.452 98 D N 0.009 120.396 120.400 -0.021 0.000 2.355 98 D HA -0.002 4.637 4.640 -0.001 0.000 0.218 98 D C -0.138 176.148 176.300 -0.025 0.000 1.004 98 D CA 0.174 54.155 54.000 -0.031 0.000 0.880 98 D CB 0.204 40.987 40.800 -0.029 0.000 0.911 98 D HN -0.024 nan 8.370 nan 0.000 0.528 99 R N 0.347 120.839 120.500 -0.014 0.000 2.650 99 R HA -0.103 4.237 4.340 -0.001 0.000 0.315 99 R C -0.629 175.662 176.300 -0.014 0.000 0.986 99 R CA 0.186 56.281 56.100 -0.008 0.000 0.744 99 R CB -3.174 27.123 30.300 -0.004 0.000 2.072 99 R HN 0.326 nan 8.270 nan 0.000 0.477 100 S N -0.025 115.667 115.700 -0.012 0.000 2.546 100 S HA 0.782 5.251 4.470 -0.001 0.000 0.274 100 S C -2.793 171.804 174.600 -0.004 0.000 1.121 100 S CA -1.662 56.527 58.200 -0.019 0.000 0.887 100 S CB 3.676 66.852 63.200 -0.041 0.000 1.094 100 S HN 0.152 nan 8.310 nan 0.000 0.474 101 P HA 0.338 nan 4.420 nan 0.000 0.256 101 P C -0.897 176.413 177.300 0.017 0.000 1.689 101 P CA -0.279 62.824 63.100 0.004 0.000 1.124 101 P CB 0.407 32.102 31.700 -0.008 0.000 1.766 102 V N 5.507 125.440 119.914 0.032 0.000 2.459 102 V HA 0.311 4.430 4.120 -0.001 0.000 0.295 102 V C 0.488 176.629 176.094 0.080 0.000 1.029 102 V CA -0.766 61.565 62.300 0.052 0.000 0.874 102 V CB 2.044 33.894 31.823 0.044 0.000 0.985 102 V HN 0.301 nan 8.190 nan 0.000 0.438 103 I N 4.354 124.981 120.570 0.095 0.000 2.297 103 I HA 0.520 4.689 4.170 -0.001 0.000 0.291 103 I C 0.550 176.748 176.117 0.135 0.000 1.033 103 I CA -0.393 60.975 61.300 0.114 0.000 1.253 103 I CB 0.939 39.006 38.000 0.112 0.000 1.396 103 I HN 0.676 nan 8.210 nan 0.000 0.476 104 A N 8.321 131.236 122.820 0.158 0.000 2.276 104 A HA 0.831 5.150 4.320 -0.001 0.000 0.316 104 A C -0.500 177.150 177.584 0.111 0.000 1.229 104 A CA -0.453 51.699 52.037 0.191 0.000 0.851 104 A CB 0.675 19.841 19.000 0.277 0.000 1.165 104 A HN 0.673 nan 8.150 nan 0.000 0.513 105 L N 1.935 123.154 121.223 -0.006 0.000 2.365 105 L HA 0.821 5.161 4.340 -0.001 0.000 0.273 105 L C 0.100 176.650 176.870 -0.534 0.000 1.000 105 L CA -0.451 54.199 54.840 -0.317 0.000 0.819 105 L CB 2.191 44.099 42.059 -0.253 0.000 1.284 105 L HN 0.793 nan 8.230 nan 0.000 0.418 106 A N 1.956 124.433 122.820 -0.573 0.000 2.455 106 A HA 0.878 5.198 4.320 -0.001 0.000 0.300 106 A C -0.440 176.897 177.584 -0.412 0.000 1.040 106 A CA -0.416 51.349 52.037 -0.453 0.000 0.697 106 A CB 1.601 20.618 19.000 0.028 0.000 1.265 106 A HN 0.781 nan 8.150 nan 0.000 0.407 107 A N 0.823 123.450 122.820 -0.322 0.000 2.386 107 A HA 0.572 4.891 4.320 -0.001 0.000 0.246 107 A C 0.183 177.722 177.584 -0.075 0.000 1.089 107 A CA 0.388 52.351 52.037 -0.123 0.000 0.790 107 A CB 0.398 19.412 19.000 0.023 0.000 1.042 107 A HN 1.166 nan 8.150 nan 0.000 0.497 108 Q N -0.193 119.573 119.800 -0.057 0.000 2.501 108 Q HA 0.527 4.866 4.340 -0.001 0.000 0.288 108 Q C -0.408 175.558 176.000 -0.056 0.000 1.051 108 Q CA -0.321 55.450 55.803 -0.052 0.000 0.788 108 Q CB 1.727 30.428 28.738 -0.062 0.000 1.469 108 Q HN 0.761 nan 8.270 nan 0.000 0.416 109 S N 1.628 117.287 115.700 -0.069 0.000 2.550 109 S HA 0.013 4.482 4.470 -0.001 0.000 0.285 109 S C -0.524 174.003 174.600 -0.122 0.000 1.326 109 S CA -0.029 58.118 58.200 -0.088 0.000 1.037 109 S CB 0.023 63.165 63.200 -0.097 0.000 0.838 109 S HN 0.550 nan 8.310 nan 0.000 0.519 110 E N 1.705 121.815 120.200 -0.150 0.000 2.568 110 E HA -0.034 4.315 4.350 -0.001 0.000 0.262 110 E C 1.391 177.807 176.600 -0.306 0.000 0.961 110 E CA 0.563 56.834 56.400 -0.214 0.000 0.945 110 E CB 0.300 29.814 29.700 -0.311 0.000 0.924 110 E HN 0.640 nan 8.360 nan 0.000 0.467 111 S N 3.513 119.108 115.700 -0.174 0.000 2.372 111 S HA -0.325 4.144 4.470 -0.001 0.000 0.227 111 S C 1.692 176.183 174.600 -0.181 0.000 1.044 111 S CA 1.843 59.964 58.200 -0.131 0.000 1.050 111 S CB -0.646 62.538 63.200 -0.026 0.000 0.901 111 S HN 0.787 nan 8.310 nan 0.000 0.447 112 H N -0.149 118.869 119.070 -0.086 0.000 2.546 112 H HA 0.207 4.762 4.556 -0.001 0.000 0.277 112 H C 0.543 175.784 175.328 -0.146 0.000 1.004 112 H CA 1.184 57.179 56.048 -0.089 0.000 1.231 112 H CB -0.359 29.391 29.762 -0.019 0.000 1.382 112 H HN 0.473 nan 8.280 nan 0.000 0.580 113 D N 0.676 120.757 120.400 -0.532 0.000 2.462 113 D HA 0.201 4.840 4.640 -0.001 0.000 0.221 113 D C -0.109 175.926 176.300 -0.441 0.000 1.173 113 D CA -0.308 53.478 54.000 -0.355 0.000 0.831 113 D CB -0.175 40.454 40.800 -0.286 0.000 1.001 113 D HN 0.286 nan 8.370 nan 0.000 0.499 114 I N 1.577 121.785 120.570 -0.603 0.000 2.311 114 I HA 0.128 4.298 4.170 -0.001 0.000 0.297 114 I C -0.581 175.133 176.117 -0.672 0.000 1.131 114 I CA -0.039 60.988 61.300 -0.456 0.000 1.289 114 I CB -0.039 37.784 38.000 -0.295 0.000 1.446 114 I HN -0.106 nan 8.210 nan 0.000 0.524 115 F N 7.319 127.260 119.950 -0.016 0.000 2.564 115 F HA 0.392 4.918 4.527 -0.001 0.000 0.368 115 F C -2.247 173.551 175.800 -0.004 0.000 1.127 115 F CA -2.912 55.086 58.000 -0.005 0.000 1.170 115 F CB 0.634 39.636 39.000 0.003 0.000 1.397 115 F HN 0.237 nan 8.300 nan 0.000 0.493 116 P HA 0.069 nan 4.420 nan 0.000 0.264 116 P C 0.100 177.446 177.300 0.076 0.000 1.193 116 P CA 0.644 63.783 63.100 0.064 0.000 0.763 116 P CB 0.421 32.141 31.700 0.034 0.000 0.810 117 N N 1.053 119.787 118.700 0.058 0.000 2.909 117 N HA -0.159 4.580 4.740 -0.001 0.000 0.242 117 N C 0.187 175.735 175.510 0.062 0.000 0.975 117 N CA 1.318 54.398 53.050 0.050 0.000 0.921 117 N CB -1.508 37.000 38.487 0.036 0.000 1.112 117 N HN 0.518 nan 8.380 nan 0.000 0.581 118 D N -0.837 119.619 120.400 0.093 0.000 2.871 118 D HA 0.071 4.710 4.640 -0.001 0.000 0.291 118 D C 0.165 176.533 176.300 0.113 0.000 1.150 118 D CA 0.602 54.653 54.000 0.084 0.000 0.999 118 D CB -0.016 40.819 40.800 0.060 0.000 1.452 118 D HN 0.027 nan 8.370 nan 0.000 0.465 119 T N 1.436 116.094 114.554 0.173 0.000 2.916 119 T HA -0.014 4.336 4.350 -0.001 0.000 0.303 119 T C 0.205 174.992 174.700 0.145 0.000 1.025 119 T CA 0.061 62.265 62.100 0.174 0.000 1.142 119 T CB 0.455 69.435 68.868 0.185 0.000 0.947 119 T HN 0.082 nan 8.240 nan 0.000 0.544 120 H N 3.188 122.287 119.070 0.049 0.000 3.192 120 H HA -0.051 4.505 4.556 -0.001 0.000 0.295 120 H C 1.109 176.453 175.328 0.028 0.000 0.943 120 H CA 1.025 57.093 56.048 0.034 0.000 1.416 120 H CB -0.206 29.574 29.762 0.030 0.000 1.434 120 H HN 0.801 nan 8.280 nan 0.000 0.565 121 Q N 1.229 120.892 119.800 -0.230 0.000 2.406 121 Q HA -0.265 4.074 4.340 -0.001 0.000 0.236 121 Q C -0.342 175.595 176.000 -0.106 0.000 0.799 121 Q CA 1.118 56.776 55.803 -0.240 0.000 1.286 121 Q CB -1.798 26.687 28.738 -0.421 0.000 1.615 121 Q HN 0.620 nan 8.270 nan 0.000 0.621 122 C N 1.429 120.702 119.300 -0.044 0.000 2.246 122 C HA 0.651 5.110 4.460 -0.001 0.000 0.329 122 C C 0.226 175.213 174.990 -0.006 0.000 1.221 122 C CA -0.497 58.508 59.018 -0.022 0.000 1.697 122 C CB -0.465 27.276 27.740 0.003 0.000 2.312 122 C HN 0.329 nan 8.230 nan 0.000 0.509 123 L N 4.310 125.525 121.223 -0.014 0.000 2.319 123 L HA 0.451 4.790 4.340 -0.001 0.000 0.267 123 L C 0.082 176.948 176.870 -0.008 0.000 1.011 123 L CA -0.522 54.313 54.840 -0.009 0.000 0.818 123 L CB 1.148 43.196 42.059 -0.018 0.000 1.316 123 L HN 0.475 nan 8.230 nan 0.000 0.432 124 D N 0.309 120.705 120.400 -0.007 0.000 2.545 124 D HA 0.070 4.709 4.640 -0.001 0.000 0.227 124 D C 0.862 177.157 176.300 -0.009 0.000 1.150 124 D CA 0.239 54.236 54.000 -0.006 0.000 1.046 124 D CB 0.675 41.472 40.800 -0.006 0.000 1.098 124 D HN 0.441 nan 8.370 nan 0.000 0.502 125 S N 1.029 116.739 115.700 0.017 0.000 2.370 125 S HA -0.135 4.334 4.470 -0.001 0.000 0.226 125 S C 2.174 176.783 174.600 0.015 0.000 1.033 125 S CA 0.667 58.881 58.200 0.023 0.000 1.011 125 S CB 0.066 63.378 63.200 0.187 0.000 0.852 125 S HN 0.437 nan 8.310 nan 0.000 0.457 126 V N 1.965 121.950 119.914 0.119 0.000 2.343 126 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 126 V C 2.615 178.707 176.094 -0.004 0.000 1.051 126 V CA 1.735 64.099 62.300 0.106 0.000 1.036 126 V CB -1.174 30.688 31.823 0.064 0.000 0.654 126 V HN 0.556 nan 8.190 nan 0.000 0.451 127 A N -0.406 122.402 122.820 -0.019 0.000 1.968 127 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 127 A C 2.143 179.693 177.584 -0.057 0.000 1.169 127 A CA 1.490 53.507 52.037 -0.033 0.000 0.638 127 A CB -0.468 18.518 19.000 -0.023 0.000 0.812 127 A HN 0.516 nan 8.150 nan 0.000 0.446 128 I N -0.795 119.726 120.570 -0.082 0.000 2.353 128 I HA -0.151 4.018 4.170 -0.001 0.000 0.248 128 I C 2.022 178.046 176.117 -0.155 0.000 1.119 128 I CA 0.883 62.118 61.300 -0.109 0.000 1.417 128 I CB 0.060 37.989 38.000 -0.117 0.000 1.078 128 I HN 0.146 nan 8.210 nan 0.000 0.421 129 V N 0.177 119.954 119.914 -0.228 0.000 2.949 129 V HA 0.054 4.173 4.120 -0.001 0.000 0.245 129 V C 2.545 178.552 176.094 -0.145 0.000 1.086 129 V CA 1.086 63.207 62.300 -0.300 0.000 1.097 129 V CB -0.309 31.075 31.823 -0.733 0.000 0.762 129 V HN 0.386 nan 8.190 nan 0.000 0.470 130 A N 1.291 124.061 122.820 -0.084 0.000 1.903 130 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 130 A C 0.466 178.033 177.584 -0.028 0.000 1.191 130 A CA 2.495 54.511 52.037 -0.036 0.000 0.638 130 A CB -1.986 16.996 19.000 -0.031 0.000 0.823 130 A HN 0.545 nan 8.150 nan 0.000 0.451 131 P HA -0.078 nan 4.420 nan 0.000 0.225 131 P C 1.058 178.345 177.300 -0.022 0.000 1.148 131 P CA 1.427 64.512 63.100 -0.025 0.000 0.779 131 P CB -0.117 31.564 31.700 -0.031 0.000 0.780 132 M N -3.099 116.482 119.600 -0.032 0.000 2.685 132 M HA 0.395 4.874 4.480 -0.001 0.000 0.355 132 M C -0.376 175.920 176.300 -0.007 0.000 1.197 132 M CA -0.411 54.875 55.300 -0.023 0.000 0.947 132 M CB 0.573 33.150 32.600 -0.039 0.000 1.346 132 M HN -0.264 nan 8.290 nan 0.000 0.516 133 S N -1.339 114.367 115.700 0.010 0.000 2.638 133 S HA 0.582 5.051 4.470 -0.001 0.000 0.274 133 S C 0.205 174.847 174.600 0.070 0.000 1.157 133 S CA -0.972 57.257 58.200 0.049 0.000 0.826 133 S CB 1.664 64.906 63.200 0.071 0.000 1.139 133 S HN 0.172 nan 8.310 nan 0.000 0.474 134 K N -0.361 120.102 120.400 0.105 0.000 2.305 134 K HA 0.226 4.545 4.320 -0.001 0.000 0.199 134 K C -0.588 176.134 176.600 0.204 0.000 1.047 134 K CA 0.880 57.239 56.287 0.119 0.000 0.976 134 K CB -0.342 32.218 32.500 0.100 0.000 0.765 134 K HN 0.722 nan 8.250 nan 0.000 0.474 135 Y N -0.788 119.541 120.300 0.048 0.000 2.409 135 Y HA 0.407 4.956 4.550 -0.001 0.000 0.321 135 Y C -2.127 173.830 175.900 0.094 0.000 1.209 135 Y CA -1.147 56.985 58.100 0.053 0.000 1.086 135 Y CB 1.288 39.771 38.460 0.040 0.000 1.320 135 Y HN -0.059 nan 8.280 nan 0.000 0.440 136 A N 4.949 127.562 122.820 -0.345 0.000 2.465 136 A HA 0.789 5.108 4.320 -0.001 0.000 0.292 136 A C -2.220 175.155 177.584 -0.348 0.000 1.041 136 A CA -0.426 51.524 52.037 -0.145 0.000 0.718 136 A CB 1.458 20.499 19.000 0.069 0.000 1.266 136 A HN 1.170 nan 8.150 nan 0.000 0.403 137 V N 1.462 121.191 119.914 -0.309 0.000 3.087 137 V HA 0.643 4.762 4.120 -0.001 0.000 0.306 137 V C -1.079 174.898 176.094 -0.195 0.000 1.187 137 V CA -0.499 61.633 62.300 -0.282 0.000 0.999 137 V CB 2.109 33.708 31.823 -0.374 0.000 1.049 137 V HN 1.001 nan 8.190 nan 0.000 0.431 138 E N 3.574 123.692 120.200 -0.136 0.000 2.145 138 E HA 0.429 4.779 4.350 -0.001 0.000 0.270 138 E C -1.035 175.504 176.600 -0.101 0.000 0.906 138 E CA -0.843 55.483 56.400 -0.123 0.000 0.761 138 E CB 1.748 31.399 29.700 -0.082 0.000 1.116 138 E HN 0.648 nan 8.360 nan 0.000 0.408 139 L N 4.266 125.426 121.223 -0.105 0.000 2.525 139 L HA -0.071 4.269 4.340 -0.001 0.000 0.278 139 L C 0.426 177.260 176.870 -0.060 0.000 1.218 139 L CA 1.351 56.146 54.840 -0.075 0.000 0.878 139 L CB 0.534 42.553 42.059 -0.068 0.000 1.127 139 L HN 0.787 nan 8.230 nan 0.000 0.492 140 Q N 3.236 123.007 119.800 -0.049 0.000 2.384 140 Q HA 0.313 4.652 4.340 -0.001 0.000 0.264 140 Q C -0.206 175.784 176.000 -0.017 0.000 0.825 140 Q CA -0.008 55.775 55.803 -0.034 0.000 0.984 140 Q CB 0.858 29.577 28.738 -0.031 0.000 1.183 140 Q HN 0.574 nan 8.270 nan 0.000 0.537 141 R N 0.677 121.160 120.500 -0.028 0.000 2.451 141 R HA 0.247 4.586 4.340 -0.001 0.000 0.307 141 R C -2.237 174.048 176.300 -0.024 0.000 0.965 141 R CA -1.817 54.283 56.100 -0.000 0.000 0.865 141 R CB 1.512 31.819 30.300 0.012 0.000 1.174 141 R HN -0.103 nan 8.270 nan 0.000 0.455 142 P HA -0.280 nan 4.420 nan 0.000 0.217 142 P C 0.956 178.269 177.300 0.021 0.000 1.158 142 P CA 1.461 64.580 63.100 0.032 0.000 0.887 142 P CB 0.018 31.757 31.700 0.064 0.000 0.792 143 H N -0.431 118.647 119.070 0.013 0.000 2.524 143 H HA 0.046 4.602 4.556 -0.001 0.000 0.282 143 H C 1.038 176.377 175.328 0.018 0.000 1.016 143 H CA 0.928 56.985 56.048 0.016 0.000 1.270 143 H CB -0.683 29.087 29.762 0.012 0.000 1.394 143 H HN 0.243 nan 8.280 nan 0.000 0.568 144 E N 0.306 120.158 120.200 -0.580 0.000 2.511 144 E HA -0.021 4.329 4.350 -0.001 0.000 0.196 144 E C 1.672 178.185 176.600 -0.145 0.000 1.066 144 E CA 0.075 56.233 56.400 -0.403 0.000 0.871 144 E CB 0.044 29.528 29.700 -0.360 0.000 0.863 144 E HN 0.305 nan 8.360 nan 0.000 0.520 145 I N 0.981 121.500 120.570 -0.086 0.000 2.361 145 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 145 I C 1.954 178.067 176.117 -0.007 0.000 1.133 145 I CA 1.550 62.834 61.300 -0.027 0.000 1.413 145 I CB -0.303 37.696 38.000 -0.002 0.000 1.073 145 I HN -0.044 nan 8.210 nan 0.000 0.424 146 T N 0.860 115.409 114.554 -0.008 0.000 2.684 146 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 146 T C 1.409 176.110 174.700 0.002 0.000 1.036 146 T CA 2.002 64.101 62.100 -0.001 0.000 1.148 146 T CB -0.525 68.350 68.868 0.012 0.000 0.863 146 T HN 0.714 nan 8.240 nan 0.000 0.436 147 D N 0.793 121.190 120.400 -0.004 0.000 2.234 147 D HA -0.002 4.637 4.640 -0.001 0.000 0.205 147 D C 2.011 178.320 176.300 0.015 0.000 0.962 147 D CA 0.540 54.543 54.000 0.006 0.000 0.855 147 D CB -0.641 40.160 40.800 0.002 0.000 0.951 147 D HN 0.335 nan 8.370 nan 0.000 0.500 148 L N 0.296 121.536 121.223 0.028 0.000 2.056 148 L HA -0.095 4.244 4.340 -0.001 0.000 0.207 148 L C 2.477 179.377 176.870 0.050 0.000 1.078 148 L CA 0.636 55.528 54.840 0.087 0.000 0.749 148 L CB -0.357 41.755 42.059 0.089 0.000 0.901 148 L HN 0.061 nan 8.230 nan 0.000 0.433 149 V N -0.135 119.804 119.914 0.041 0.000 2.407 149 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 149 V C 2.081 178.214 176.094 0.065 0.000 1.055 149 V CA 1.760 64.094 62.300 0.056 0.000 1.049 149 V CB -0.499 31.363 31.823 0.064 0.000 0.662 149 V HN 0.424 nan 8.190 nan 0.000 0.455 150 D N -0.010 120.428 120.400 0.063 0.000 2.097 150 D HA -0.109 4.531 4.640 -0.001 0.000 0.197 150 D C 2.452 178.700 176.300 -0.086 0.000 0.984 150 D CA 1.660 55.711 54.000 0.085 0.000 0.826 150 D CB -0.330 40.516 40.800 0.076 0.000 0.973 150 D HN 0.345 nan 8.370 nan 0.000 0.460 151 S N 0.423 116.015 115.700 -0.180 0.000 2.399 151 S HA -0.124 4.346 4.470 -0.001 0.000 0.231 151 S C 2.031 176.141 174.600 -0.816 0.000 1.022 151 S CA 0.999 58.950 58.200 -0.416 0.000 0.983 151 S CB -0.161 62.830 63.200 -0.348 0.000 0.803 151 S HN 0.360 nan 8.310 nan 0.000 0.480 152 A N 1.163 123.558 122.820 -0.709 0.000 1.855 152 A HA -0.039 4.281 4.320 -0.001 0.000 0.215 152 A C 2.338 179.777 177.584 -0.242 0.000 1.191 152 A CA 1.484 53.218 52.037 -0.505 0.000 0.613 152 A CB -0.981 17.966 19.000 -0.087 0.000 0.829 152 A HN 0.330 nan 8.150 nan 0.000 0.442 153 V N 1.090 120.902 119.914 -0.170 0.000 2.332 153 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 153 V C 2.381 178.364 176.094 -0.184 0.000 1.055 153 V CA 2.259 64.450 62.300 -0.183 0.000 1.038 153 V CB -1.064 30.545 31.823 -0.356 0.000 0.651 153 V HN 0.554 nan 8.190 nan 0.000 0.450 154 N N 0.542 119.125 118.700 -0.194 0.000 2.061 154 N HA -0.167 4.572 4.740 -0.001 0.000 0.193 154 N C 1.819 177.257 175.510 -0.119 0.000 1.030 154 N CA 1.940 54.901 53.050 -0.148 0.000 0.856 154 N CB -0.553 37.850 38.487 -0.140 0.000 1.023 154 N HN 0.517 nan 8.380 nan 0.000 0.424 155 A N 0.432 123.162 122.820 -0.150 0.000 1.930 155 A HA 0.211 4.531 4.320 -0.001 0.000 0.215 155 A C 2.293 179.859 177.584 -0.031 0.000 1.176 155 A CA 1.493 53.489 52.037 -0.068 0.000 0.632 155 A CB -0.650 18.329 19.000 -0.034 0.000 0.819 155 A HN 0.303 nan 8.150 nan 0.000 0.445 156 A N -1.053 121.739 122.820 -0.046 0.000 1.933 156 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 156 A C 1.777 179.346 177.584 -0.026 0.000 1.175 156 A CA 1.617 53.643 52.037 -0.018 0.000 0.628 156 A CB -0.313 18.676 19.000 -0.019 0.000 0.814 156 A HN 0.382 nan 8.150 nan 0.000 0.444 157 M N 0.813 120.383 119.600 -0.050 0.000 2.549 157 M HA 0.153 4.632 4.480 -0.001 0.000 0.273 157 M C -0.565 175.714 176.300 -0.035 0.000 1.213 157 M CA 0.444 55.718 55.300 -0.044 0.000 0.976 157 M CB -0.524 32.036 32.600 -0.068 0.000 1.457 157 M HN 0.115 nan 8.290 nan 0.000 0.485 158 T N 1.052 115.590 114.554 -0.027 0.000 2.794 158 T HA 0.297 4.647 4.350 -0.001 0.000 0.280 158 T C 0.326 175.020 174.700 -0.011 0.000 0.987 158 T CA -0.618 61.471 62.100 -0.020 0.000 0.993 158 T CB 1.957 70.815 68.868 -0.017 0.000 0.939 158 T HN 0.105 nan 8.240 nan 0.000 0.449 159 E N 3.893 124.085 120.200 -0.014 0.000 2.384 159 E HA 0.163 4.512 4.350 -0.001 0.000 0.266 159 E C -2.198 174.399 176.600 -0.005 0.000 1.012 159 E CA -1.832 54.561 56.400 -0.010 0.000 0.901 159 E CB 0.460 30.149 29.700 -0.019 0.000 0.967 159 E HN 0.337 nan 8.360 nan 0.000 0.435 160 P HA 0.032 nan 4.420 nan 0.000 0.282 160 P C -0.031 177.272 177.300 0.004 0.000 1.262 160 P CA -0.398 62.703 63.100 0.001 0.000 0.773 160 P CB 0.603 32.306 31.700 0.004 0.000 0.879 161 V N 1.448 121.364 119.914 0.003 0.000 3.096 161 V HA 0.787 4.907 4.120 -0.001 0.000 0.306 161 V C 0.564 176.663 176.094 0.008 0.000 1.088 161 V CA 0.345 62.648 62.300 0.003 0.000 1.129 161 V CB 0.100 31.924 31.823 0.002 0.000 1.014 161 V HN 0.873 nan 8.190 nan 0.000 0.486 162 G N 2.505 111.313 108.800 0.014 0.000 2.430 162 G HA2 0.604 4.564 3.960 -0.001 0.000 0.300 162 G HA3 0.604 4.564 3.960 -0.001 0.000 0.300 162 G C -3.526 171.397 174.900 0.038 0.000 1.330 162 G CA -0.625 44.489 45.100 0.024 0.000 0.813 162 G HN 0.734 nan 8.290 nan 0.000 0.487 163 P HA 0.486 nan 4.420 nan 0.000 0.284 163 P C -0.608 176.766 177.300 0.124 0.000 1.253 163 P CA -0.217 62.932 63.100 0.081 0.000 0.800 163 P CB 1.812 33.559 31.700 0.079 0.000 0.961 164 S N 1.892 117.685 115.700 0.156 0.000 2.501 164 S HA 0.628 5.097 4.470 -0.001 0.000 0.301 164 S C -0.905 173.873 174.600 0.297 0.000 1.096 164 S CA -0.328 58.024 58.200 0.254 0.000 1.063 164 S CB 0.565 63.890 63.200 0.209 0.000 1.042 164 S HN 0.434 nan 8.310 nan 0.000 0.494 165 F N 3.009 123.050 119.950 0.150 0.000 2.520 165 F HA 0.712 5.239 4.527 -0.001 0.000 0.322 165 F C -1.295 174.530 175.800 0.042 0.000 1.103 165 F CA -1.022 57.011 58.000 0.055 0.000 0.926 165 F CB 0.692 39.690 39.000 -0.004 0.000 1.154 165 F HN 0.433 nan 8.300 nan 0.000 0.453 166 I N 4.640 124.730 120.570 -0.801 0.000 2.466 166 I HA 0.270 4.440 4.170 -0.001 0.000 0.289 166 I C -0.612 174.872 176.117 -1.055 0.000 1.026 166 I CA -0.796 60.090 61.300 -0.690 0.000 1.078 166 I CB 1.990 39.831 38.000 -0.266 0.000 1.249 166 I HN 0.524 nan 8.210 nan 0.000 0.429 167 S N 6.874 122.091 115.700 -0.804 0.000 2.480 167 S HA 0.688 5.158 4.470 -0.001 0.000 0.286 167 S C -0.639 173.792 174.600 -0.281 0.000 1.180 167 S CA -0.457 57.439 58.200 -0.506 0.000 1.075 167 S CB 0.508 63.583 63.200 -0.208 0.000 0.996 167 S HN 0.479 nan 8.310 nan 0.000 0.487 168 L N 6.421 127.510 121.223 -0.223 0.000 2.417 168 L HA 0.396 4.735 4.340 -0.001 0.000 0.259 168 L C -2.459 174.366 176.870 -0.076 0.000 1.023 168 L CA -2.021 52.739 54.840 -0.135 0.000 0.901 168 L CB 1.583 43.566 42.059 -0.126 0.000 1.227 168 L HN 0.445 nan 8.230 nan 0.000 0.454 169 P HA -0.035 nan 4.420 nan 0.000 0.262 169 P C 1.191 178.480 177.300 -0.018 0.000 1.182 169 P CA 0.082 63.152 63.100 -0.050 0.000 0.761 169 P CB 1.092 32.757 31.700 -0.058 0.000 0.795 170 V N 3.399 123.307 119.914 -0.009 0.000 2.332 170 V HA -0.262 3.858 4.120 -0.001 0.000 0.248 170 V C 2.025 178.133 176.094 0.023 0.000 1.055 170 V CA 2.509 64.821 62.300 0.020 0.000 1.038 170 V CB -1.029 30.807 31.823 0.022 0.000 0.651 170 V HN 0.686 nan 8.190 nan 0.000 0.450 171 D N 0.158 120.570 120.400 0.020 0.000 2.117 171 D HA -0.196 4.443 4.640 -0.001 0.000 0.197 171 D C 1.994 178.314 176.300 0.033 0.000 0.987 171 D CA 1.475 55.499 54.000 0.041 0.000 0.829 171 D CB -0.508 40.339 40.800 0.079 0.000 0.961 171 D HN 0.449 nan 8.370 nan 0.000 0.460 172 L N -0.448 120.789 121.223 0.022 0.000 2.109 172 L HA -0.038 4.302 4.340 -0.001 0.000 0.207 172 L C 2.643 179.526 176.870 0.021 0.000 1.086 172 L CA 0.243 55.094 54.840 0.020 0.000 0.760 172 L CB -0.423 41.639 42.059 0.006 0.000 0.910 172 L HN 0.036 nan 8.230 nan 0.000 0.437 173 L N 0.589 121.826 121.223 0.024 0.000 2.127 173 L HA -0.093 4.247 4.340 -0.001 0.000 0.211 173 L C 1.995 178.878 176.870 0.022 0.000 1.089 173 L CA 1.892 56.754 54.840 0.037 0.000 0.757 173 L CB -0.779 41.321 42.059 0.069 0.000 0.899 173 L HN 0.140 nan 8.230 nan 0.000 0.434 174 G N -1.699 107.111 108.800 0.017 0.000 3.284 174 G HA2 0.102 4.061 3.960 -0.001 0.000 0.236 174 G HA3 0.102 4.061 3.960 -0.001 0.000 0.236 174 G C 0.367 175.272 174.900 0.009 0.000 1.158 174 G CA 0.509 45.612 45.100 0.005 0.000 0.774 174 G HN 0.382 nan 8.290 nan 0.000 0.545 175 S N -0.208 115.502 115.700 0.017 0.000 2.549 175 S HA 0.464 4.934 4.470 -0.001 0.000 0.297 175 S C 1.304 175.915 174.600 0.019 0.000 1.115 175 S CA 0.243 58.453 58.200 0.018 0.000 1.059 175 S CB 1.702 64.918 63.200 0.026 0.000 1.046 175 S HN 0.270 nan 8.310 nan 0.000 0.506 176 S N 2.028 117.736 115.700 0.012 0.000 2.540 176 S HA 0.235 4.704 4.470 -0.001 0.000 0.218 176 S C 0.346 174.955 174.600 0.015 0.000 0.977 176 S CA -0.381 57.824 58.200 0.009 0.000 0.918 176 S CB -0.364 62.831 63.200 -0.009 0.000 0.806 176 S HN 0.836 nan 8.310 nan 0.000 0.496 177 E N 1.458 121.672 120.200 0.022 0.000 2.606 177 E HA 0.287 4.636 4.350 -0.001 0.000 0.248 177 E C 1.150 177.775 176.600 0.041 0.000 1.005 177 E CA 0.879 57.294 56.400 0.024 0.000 0.946 177 E CB -0.416 29.302 29.700 0.030 0.000 0.928 177 E HN 0.623 nan 8.360 nan 0.000 0.494 178 G N 4.181 112.980 108.800 -0.001 0.000 2.176 178 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.253 178 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.253 178 G C 0.248 175.121 174.900 -0.045 0.000 0.979 178 G CA 0.118 45.181 45.100 -0.062 0.000 0.641 178 G HN 0.572 nan 8.290 nan 0.000 0.530 179 I N 2.102 122.682 120.570 0.016 0.000 2.304 179 I HA 0.549 4.719 4.170 -0.001 0.000 0.291 179 I C 0.512 176.626 176.117 -0.005 0.000 1.018 179 I CA 0.420 61.740 61.300 0.033 0.000 1.260 179 I CB 1.017 39.048 38.000 0.051 0.000 1.390 179 I HN 0.283 nan 8.210 nan 0.000 0.475 180 D N 4.092 124.487 120.400 -0.008 0.000 2.252 180 D HA 0.858 5.498 4.640 -0.001 0.000 0.245 180 D C -0.058 176.234 176.300 -0.013 0.000 1.009 180 D CA 0.113 54.101 54.000 -0.020 0.000 0.870 180 D CB 1.988 42.771 40.800 -0.028 0.000 1.251 180 D HN 0.732 nan 8.370 nan 0.000 0.460 186 P HA 0.458 nan 4.420 nan 0.000 0.270 186 P C -2.596 174.710 177.300 0.010 0.000 1.223 186 P CA -0.681 62.426 63.100 0.013 0.000 0.785 186 P CB -0.602 31.110 31.700 0.019 0.000 0.923 187 P HA 0.072 nan 4.420 nan 0.000 0.266 187 P C 0.485 177.808 177.300 0.039 0.000 1.195 187 P CA -0.028 63.086 63.100 0.023 0.000 0.768 187 P CB 0.375 32.091 31.700 0.026 0.000 0.838 188 A N 3.040 125.891 122.820 0.051 0.000 1.929 188 A HA -0.130 4.189 4.320 -0.001 0.000 0.216 188 A C 0.804 178.506 177.584 0.196 0.000 1.176 188 A CA 1.018 53.137 52.037 0.137 0.000 0.628 188 A CB -1.011 18.065 19.000 0.128 0.000 0.816 188 A HN 0.635 nan 8.150 nan 0.000 0.444 189 N N -0.394 118.372 118.700 0.110 0.000 2.735 189 N HA -0.115 4.625 4.740 -0.001 0.000 0.248 189 N C -0.511 175.021 175.510 0.035 0.000 1.083 189 N CA 1.311 54.399 53.050 0.064 0.000 0.703 189 N CB -2.293 36.222 38.487 0.046 0.000 1.005 189 N HN 0.488 nan 8.380 nan 0.000 0.550 190 T N 1.798 116.382 114.554 0.050 0.000 2.829 190 T HA 0.218 4.567 4.350 -0.001 0.000 0.293 190 T C -1.840 172.836 174.700 -0.040 0.000 0.970 190 T CA -0.540 61.526 62.100 -0.057 0.000 1.168 190 T CB 0.585 69.449 68.868 -0.008 0.000 0.911 190 T HN 0.055 nan 8.240 nan 0.000 0.535 191 P HA 0.262 nan 4.420 nan 0.000 0.267 191 P C 0.428 177.715 177.300 -0.022 0.000 1.205 191 P CA -0.330 62.749 63.100 -0.035 0.000 0.765 191 P CB 0.531 32.204 31.700 -0.045 0.000 0.828 192 A N 3.887 126.704 122.820 -0.006 0.000 2.014 192 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 192 A C 0.859 178.447 177.584 0.005 0.000 1.163 192 A CA 1.268 53.308 52.037 0.004 0.000 0.652 192 A CB -0.511 18.495 19.000 0.010 0.000 0.808 192 A HN 0.664 nan 8.150 nan 0.000 0.449 193 K N -1.325 119.075 120.400 -0.000 0.000 2.509 193 K HA 0.581 4.901 4.320 -0.001 0.000 0.266 193 K C -3.456 173.139 176.600 -0.008 0.000 0.987 193 K CA -2.164 54.125 56.287 0.002 0.000 0.868 193 K CB 1.105 33.609 32.500 0.007 0.000 1.421 193 K HN -0.227 nan 8.250 nan 0.000 0.444 194 P HA -0.022 nan 4.420 nan 0.000 0.265 194 P C -0.559 176.729 177.300 -0.021 0.000 1.193 194 P CA -0.406 62.686 63.100 -0.015 0.000 0.765 194 P CB 0.524 32.220 31.700 -0.007 0.000 0.823 195 V N 3.275 123.174 119.914 -0.025 0.000 2.740 195 V HA 0.380 4.499 4.120 -0.001 0.000 0.303 195 V C 1.181 177.257 176.094 -0.030 0.000 1.054 195 V CA 0.749 63.034 62.300 -0.026 0.000 1.106 195 V CB 0.442 32.250 31.823 -0.025 0.000 0.957 195 V HN 0.796 nan 8.190 nan 0.000 0.486 196 G N 2.932 111.709 108.800 -0.038 0.000 2.600 196 G HA2 0.620 4.580 3.960 -0.001 0.000 0.303 196 G HA3 0.620 4.580 3.960 -0.001 0.000 0.303 196 G C -1.044 173.825 174.900 -0.052 0.000 1.253 196 G CA -0.672 44.397 45.100 -0.051 0.000 0.974 196 G HN 0.570 nan 8.290 nan 0.000 0.483 197 V N 0.051 119.931 119.914 -0.056 0.000 2.546 197 V HA 0.489 4.609 4.120 -0.001 0.000 0.284 197 V C -0.156 175.888 176.094 -0.083 0.000 1.050 197 V CA -0.430 61.841 62.300 -0.050 0.000 0.981 197 V CB 1.246 33.048 31.823 -0.036 0.000 0.990 197 V HN 0.450 nan 8.190 nan 0.000 0.474 198 V N 3.714 123.593 119.914 -0.058 0.000 2.569 198 V HA 0.672 4.792 4.120 -0.001 0.000 0.301 198 V C 0.239 176.354 176.094 0.034 0.000 1.044 198 V CA -0.649 61.607 62.300 -0.073 0.000 0.874 198 V CB 1.732 33.513 31.823 -0.070 0.000 1.002 198 V HN 1.018 nan 8.190 nan 0.000 0.424 199 A N 2.957 125.820 122.820 0.072 0.000 2.363 199 A HA 0.537 4.856 4.320 -0.001 0.000 0.270 199 A C 0.001 177.718 177.584 0.222 0.000 1.121 199 A CA -0.265 51.844 52.037 0.120 0.000 0.800 199 A CB 0.329 19.385 19.000 0.094 0.000 1.052 199 A HN 0.954 nan 8.150 nan 0.000 0.493 200 D N 1.435 121.920 120.400 0.142 0.000 2.488 200 D HA 0.356 4.995 4.640 -0.001 0.000 0.238 200 D C 1.358 177.708 176.300 0.083 0.000 1.138 200 D CA 1.917 55.984 54.000 0.112 0.000 0.873 200 D CB 0.268 41.104 40.800 0.060 0.000 1.183 200 D HN 1.254 nan 8.370 nan 0.000 0.458 201 G N 3.461 112.270 108.800 0.015 0.000 2.143 201 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.249 201 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.249 201 G C 1.014 175.901 174.900 -0.020 0.000 0.981 201 G CA 0.510 45.587 45.100 -0.039 0.000 0.665 201 G HN 0.711 nan 8.290 nan 0.000 0.528 202 W N 0.092 121.375 121.300 -0.029 0.000 2.402 202 W HA -0.043 4.616 4.660 -0.001 0.000 0.286 202 W C 1.481 177.952 176.519 -0.081 0.000 1.221 202 W CA 1.358 58.677 57.345 -0.042 0.000 1.257 202 W CB -0.671 28.769 29.460 -0.033 0.000 1.120 202 W HN 0.387 nan 8.180 nan 0.000 0.551 203 Q N 1.796 121.013 119.800 -0.971 0.000 2.124 203 Q HA -0.122 4.217 4.340 -0.001 0.000 0.202 203 Q C 2.747 178.490 176.000 -0.428 0.000 0.977 203 Q CA 3.585 58.712 55.803 -1.126 0.000 0.850 203 Q CB -0.828 27.279 28.738 -1.053 0.000 0.901 203 Q HN 0.441 nan 8.270 nan 0.000 0.429 204 K N 0.512 120.776 120.400 -0.227 0.000 2.097 204 K HA 0.119 4.438 4.320 -0.001 0.000 0.205 204 K C 2.135 178.734 176.600 -0.002 0.000 1.050 204 K CA 1.305 57.549 56.287 -0.072 0.000 0.938 204 K CB -1.162 31.308 32.500 -0.051 0.000 0.718 204 K HN 0.334 nan 8.250 nan 0.000 0.442 205 A N 1.050 123.881 122.820 0.018 0.000 1.930 205 A HA 0.278 4.598 4.320 -0.001 0.000 0.217 205 A C 2.773 180.441 177.584 0.140 0.000 1.175 205 A CA 1.918 53.999 52.037 0.074 0.000 0.627 205 A CB -0.757 18.293 19.000 0.083 0.000 0.815 205 A HN 0.868 nan 8.150 nan 0.000 0.443 206 A N 0.027 122.954 122.820 0.178 0.000 1.972 206 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 206 A C 1.684 179.476 177.584 0.348 0.000 1.169 206 A CA 1.812 54.057 52.037 0.347 0.000 0.635 206 A CB -0.460 18.731 19.000 0.318 0.000 0.810 206 A HN 0.464 nan 8.150 nan 0.000 0.446 207 D N -0.407 120.113 120.400 0.201 0.000 2.183 207 D HA -0.101 4.538 4.640 -0.001 0.000 0.203 207 D C 2.131 178.537 176.300 0.177 0.000 0.969 207 D CA 1.167 55.282 54.000 0.193 0.000 0.842 207 D CB -0.386 40.492 40.800 0.131 0.000 0.957 207 D HN 0.625 nan 8.370 nan 0.000 0.484 208 Q N 0.516 120.405 119.800 0.149 0.000 2.119 208 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 208 Q C 2.217 178.326 176.000 0.181 0.000 0.972 208 Q CA 1.308 57.189 55.803 0.130 0.000 0.847 208 Q CB -0.090 28.700 28.738 0.087 0.000 0.903 208 Q HN 0.207 nan 8.270 nan 0.000 0.433 209 A N 1.234 124.205 122.820 0.250 0.000 1.902 209 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 209 A C 2.316 180.185 177.584 0.476 0.000 1.181 209 A CA 1.602 53.840 52.037 0.335 0.000 0.623 209 A CB -0.807 18.420 19.000 0.378 0.000 0.818 209 A HN 0.399 nan 8.150 nan 0.000 0.443 210 A N -0.238 122.875 122.820 0.488 0.000 1.933 210 A HA 0.162 4.481 4.320 -0.001 0.000 0.218 210 A C 2.460 180.249 177.584 0.343 0.000 1.175 210 A CA 2.033 54.247 52.037 0.295 0.000 0.628 210 A CB -0.883 18.127 19.000 0.016 0.000 0.814 210 A HN 1.041 nan 8.150 nan 0.000 0.444 211 A N -0.354 122.613 122.820 0.245 0.000 1.930 211 A HA 0.055 4.375 4.320 -0.001 0.000 0.217 211 A C 2.124 179.776 177.584 0.114 0.000 1.175 211 A CA 1.279 53.410 52.037 0.157 0.000 0.627 211 A CB -0.495 18.570 19.000 0.109 0.000 0.815 211 A HN 0.464 nan 8.150 nan 0.000 0.443 212 L N -1.020 120.289 121.223 0.143 0.000 2.093 212 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 212 L C 2.511 179.454 176.870 0.122 0.000 1.085 212 L CA 0.956 55.863 54.840 0.112 0.000 0.755 212 L CB -0.526 41.602 42.059 0.115 0.000 0.904 212 L HN 0.440 nan 8.230 nan 0.000 0.435 213 L N 0.415 121.767 121.223 0.215 0.000 2.083 213 L HA -0.140 4.200 4.340 -0.001 0.000 0.209 213 L C 2.616 179.538 176.870 0.088 0.000 1.083 213 L CA 1.935 56.914 54.840 0.231 0.000 0.752 213 L CB -0.722 41.584 42.059 0.412 0.000 0.899 213 L HN 0.141 nan 8.230 nan 0.000 0.433 214 A N -0.788 122.008 122.820 -0.040 0.000 1.902 214 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 214 A C 2.163 179.611 177.584 -0.227 0.000 1.181 214 A CA 1.860 53.638 52.037 -0.433 0.000 0.623 214 A CB -0.538 18.103 19.000 -0.600 0.000 0.818 214 A HN 0.596 nan 8.150 nan 0.000 0.443 215 E N -0.148 119.991 120.200 -0.102 0.000 2.299 215 E HA 0.249 4.598 4.350 -0.001 0.000 0.193 215 E C 0.906 177.484 176.600 -0.037 0.000 0.998 215 E CA 0.250 56.612 56.400 -0.064 0.000 0.851 215 E CB -0.117 29.567 29.700 -0.027 0.000 0.795 215 E HN 0.589 nan 8.360 nan 0.000 0.492 216 A N 0.848 123.661 122.820 -0.013 0.000 2.425 216 A HA 0.406 4.725 4.320 -0.001 0.000 0.249 216 A C 1.217 178.781 177.584 -0.034 0.000 1.084 216 A CA 0.512 52.553 52.037 0.008 0.000 0.781 216 A CB 0.497 19.523 19.000 0.043 0.000 1.019 216 A HN 0.227 nan 8.150 nan 0.000 0.490 217 K N 0.871 121.247 120.400 -0.040 0.000 2.242 217 K HA 0.107 4.426 4.320 -0.001 0.000 0.200 217 K C 0.587 176.904 176.600 -0.472 0.000 1.050 217 K CA 1.320 57.477 56.287 -0.218 0.000 0.981 217 K CB -0.115 32.303 32.500 -0.137 0.000 0.795 217 K HN 0.883 nan 8.250 nan 0.000 0.477 218 H N 0.635 119.724 119.070 0.033 0.000 2.429 218 H HA 0.254 4.809 4.556 -0.001 0.000 0.231 218 H C -2.900 172.438 175.328 0.015 0.000 1.416 218 H CA -1.883 54.189 56.048 0.040 0.000 1.443 218 H CB 1.350 31.121 29.762 0.014 0.000 1.591 218 H HN 0.284 nan 8.280 nan 0.000 0.507 219 P HA 0.181 nan 4.420 nan 0.000 0.279 219 P C 0.035 177.378 177.300 0.072 0.000 1.252 219 P CA -0.500 62.647 63.100 0.077 0.000 0.811 219 P CB 2.349 34.101 31.700 0.087 0.000 1.035 220 V N -1.183 118.759 119.914 0.047 0.000 3.007 220 V HA 0.556 4.676 4.120 -0.001 0.000 0.311 220 V C -0.694 175.403 176.094 0.004 0.000 1.120 220 V CA -1.168 61.150 62.300 0.030 0.000 0.980 220 V CB 1.788 33.662 31.823 0.085 0.000 1.033 220 V HN 0.265 nan 8.190 nan 0.000 0.429 221 L N 3.223 124.443 121.223 -0.006 0.000 2.264 221 L HA 0.620 4.960 4.340 -0.001 0.000 0.289 221 L C -0.512 176.358 176.870 -0.000 0.000 1.044 221 L CA -0.703 54.130 54.840 -0.012 0.000 0.807 221 L CB 1.683 43.741 42.059 -0.001 0.000 1.192 221 L HN 0.545 nan 8.230 nan 0.000 0.425 222 V N 5.008 124.913 119.914 -0.016 0.000 2.328 222 V HA 0.307 4.426 4.120 -0.001 0.000 0.278 222 V C 0.079 176.196 176.094 0.038 0.000 1.021 222 V CA -0.512 61.808 62.300 0.034 0.000 0.838 222 V CB 1.797 33.619 31.823 -0.002 0.000 0.999 222 V HN 0.417 nan 8.190 nan 0.000 0.447 223 V N 4.699 124.644 119.914 0.052 0.000 2.398 223 V HA 0.776 4.896 4.120 -0.001 0.000 0.286 223 V C 0.766 176.890 176.094 0.051 0.000 1.026 223 V CA -0.165 62.158 62.300 0.038 0.000 0.868 223 V CB 1.573 33.405 31.823 0.016 0.000 0.982 223 V HN 0.886 nan 8.190 nan 0.000 0.443 224 G N 2.308 111.134 108.800 0.043 0.000 2.601 224 G HA2 0.569 4.529 3.960 -0.001 0.000 0.317 224 G HA3 0.569 4.529 3.960 -0.001 0.000 0.317 224 G C 0.892 175.814 174.900 0.037 0.000 1.246 224 G CA 0.011 45.130 45.100 0.032 0.000 1.012 224 G HN 0.888 nan 8.290 nan 0.000 0.494 225 A N -0.460 122.400 122.820 0.067 0.000 2.019 225 A HA 0.195 4.514 4.320 -0.001 0.000 0.219 225 A C 2.612 180.259 177.584 0.105 0.000 1.164 225 A CA 2.324 54.446 52.037 0.142 0.000 0.644 225 A CB -0.689 18.454 19.000 0.239 0.000 0.805 225 A HN 1.304 nan 8.150 nan 0.000 0.449 226 A N -0.104 122.748 122.820 0.053 0.000 2.019 226 A HA 0.158 4.477 4.320 -0.001 0.000 0.219 226 A C 2.410 180.006 177.584 0.020 0.000 1.164 226 A CA 1.839 53.897 52.037 0.035 0.000 0.644 226 A CB -0.806 18.198 19.000 0.008 0.000 0.805 226 A HN 1.016 nan 8.150 nan 0.000 0.449 227 A N 0.104 122.929 122.820 0.010 0.000 1.933 227 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 227 A C 2.070 179.644 177.584 -0.017 0.000 1.175 227 A CA 1.485 53.520 52.037 -0.003 0.000 0.628 227 A CB -0.553 18.445 19.000 -0.004 0.000 0.814 227 A HN 0.528 nan 8.150 nan 0.000 0.444 228 I N -1.066 119.482 120.570 -0.037 0.000 2.202 228 I HA -0.238 3.931 4.170 -0.001 0.000 0.242 228 I C 2.706 178.818 176.117 -0.008 0.000 1.091 228 I CA 1.193 62.435 61.300 -0.097 0.000 1.368 228 I CB -0.430 37.378 38.000 -0.320 0.000 1.058 228 I HN 0.253 nan 8.210 nan 0.000 0.410 229 R N 0.235 120.776 120.500 0.068 0.000 2.105 229 R HA -0.168 4.171 4.340 -0.001 0.000 0.239 229 R C 2.460 178.782 176.300 0.038 0.000 1.135 229 R CA 1.628 57.778 56.100 0.083 0.000 0.967 229 R CB -0.497 29.855 30.300 0.085 0.000 0.861 229 R HN 0.245 nan 8.270 nan 0.000 0.442 230 S N -0.728 114.983 115.700 0.018 0.000 2.474 230 S HA -0.030 4.440 4.470 -0.001 0.000 0.235 230 S C 1.159 175.762 174.600 0.004 0.000 0.997 230 S CA 1.006 59.208 58.200 0.004 0.000 0.949 230 S CB -0.056 63.140 63.200 -0.006 0.000 0.766 230 S HN 0.672 nan 8.310 nan 0.000 0.517 231 G N -0.065 108.736 108.800 0.003 0.000 2.137 231 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.237 231 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.237 231 G C 0.451 175.349 174.900 -0.003 0.000 1.002 231 G CA 0.208 45.307 45.100 -0.000 0.000 0.702 231 G HN 0.897 nan 8.290 nan 0.000 0.515 232 A N -0.686 122.131 122.820 -0.006 0.000 2.345 232 A HA 0.657 4.976 4.320 -0.001 0.000 0.225 232 A C 2.149 179.729 177.584 -0.007 0.000 1.243 232 A CA 1.334 53.373 52.037 0.003 0.000 0.875 232 A CB 0.126 19.136 19.000 0.018 0.000 0.929 232 A HN 0.897 nan 8.150 nan 0.000 0.502 233 V N 1.146 121.044 119.914 -0.027 0.000 2.237 233 V HA -0.155 3.964 4.120 -0.001 0.000 0.245 233 V C -0.099 175.982 176.094 -0.022 0.000 1.046 233 V CA 2.613 64.890 62.300 -0.038 0.000 1.007 233 V CB -1.376 30.407 31.823 -0.067 0.000 0.638 233 V HN 0.371 nan 8.190 nan 0.000 0.445 234 P HA -0.171 nan 4.420 nan 0.000 0.216 234 P C 1.561 178.864 177.300 0.004 0.000 1.150 234 P CA 2.101 65.201 63.100 -0.001 0.000 0.843 234 P CB -0.150 31.552 31.700 0.003 0.000 0.787 235 A N -1.047 121.777 122.820 0.006 0.000 1.929 235 A HA -0.106 4.213 4.320 -0.001 0.000 0.216 235 A C 2.186 179.780 177.584 0.018 0.000 1.176 235 A CA 1.105 53.149 52.037 0.013 0.000 0.628 235 A CB -1.458 17.552 19.000 0.016 0.000 0.816 235 A HN 0.110 nan 8.150 nan 0.000 0.444 236 I N -0.770 119.810 120.570 0.016 0.000 2.315 236 I HA -0.231 3.939 4.170 -0.001 0.000 0.248 236 I C 2.647 178.766 176.117 0.003 0.000 1.117 236 I CA 1.585 62.897 61.300 0.019 0.000 1.404 236 I CB -0.217 37.789 38.000 0.011 0.000 1.071 236 I HN 0.379 nan 8.210 nan 0.000 0.419 237 R N 1.278 121.771 120.500 -0.012 0.000 2.096 237 R HA -0.153 4.186 4.340 -0.001 0.000 0.235 237 R C 2.281 178.588 176.300 0.013 0.000 1.127 237 R CA 1.561 57.647 56.100 -0.024 0.000 0.968 237 R CB -0.205 30.081 30.300 -0.023 0.000 0.861 237 R HN 0.336 nan 8.270 nan 0.000 0.440 238 A N 0.984 123.817 122.820 0.021 0.000 1.929 238 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 238 A C 1.996 179.596 177.584 0.027 0.000 1.176 238 A CA 0.894 52.947 52.037 0.028 0.000 0.628 238 A CB -0.491 18.520 19.000 0.019 0.000 0.816 238 A HN 0.385 nan 8.150 nan 0.000 0.444 239 L N -0.008 121.233 121.223 0.030 0.000 2.012 239 L HA -0.091 4.249 4.340 -0.001 0.000 0.210 239 L C 2.588 179.489 176.870 0.052 0.000 1.073 239 L CA 2.403 57.270 54.840 0.046 0.000 0.748 239 L CB -0.765 41.344 42.059 0.084 0.000 0.891 239 L HN 0.315 nan 8.230 nan 0.000 0.431 240 A N -1.040 121.804 122.820 0.041 0.000 1.929 240 A HA -0.172 4.147 4.320 -0.001 0.000 0.216 240 A C 2.167 179.777 177.584 0.043 0.000 1.176 240 A CA 1.543 53.599 52.037 0.031 0.000 0.628 240 A CB -0.593 18.398 19.000 -0.015 0.000 0.816 240 A HN 0.601 nan 8.150 nan 0.000 0.444 241 E N -0.740 119.495 120.200 0.059 0.000 2.077 241 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 241 E C 2.288 178.924 176.600 0.060 0.000 0.989 241 E CA 1.168 57.621 56.400 0.089 0.000 0.800 241 E CB -0.139 29.628 29.700 0.112 0.000 0.746 241 E HN 0.600 nan 8.360 nan 0.000 0.452 242 R N 0.658 121.184 120.500 0.043 0.000 2.073 242 R HA -0.076 4.264 4.340 -0.001 0.000 0.234 242 R C 1.777 178.098 176.300 0.036 0.000 1.134 242 R CA 1.117 57.235 56.100 0.030 0.000 0.952 242 R CB 0.010 30.317 30.300 0.011 0.000 0.850 242 R HN 0.153 nan 8.270 nan 0.000 0.433 243 L N 0.594 121.844 121.223 0.045 0.000 2.628 243 L HA 0.142 4.482 4.340 -0.001 0.000 0.229 243 L C 0.091 176.993 176.870 0.053 0.000 1.137 243 L CA -0.230 54.645 54.840 0.058 0.000 0.909 243 L CB -0.001 42.106 42.059 0.079 0.000 1.137 243 L HN 0.329 nan 8.230 nan 0.000 0.470 244 N N 1.427 120.156 118.700 0.047 0.000 2.738 244 N HA -0.213 4.526 4.740 -0.001 0.000 0.249 244 N C -0.636 174.886 175.510 0.020 0.000 1.047 244 N CA 0.503 53.578 53.050 0.041 0.000 0.707 244 N CB -1.175 37.337 38.487 0.041 0.000 0.937 244 N HN 0.333 nan 8.380 nan 0.000 0.545 245 I N 0.523 121.099 120.570 0.010 0.000 2.339 245 I HA 0.364 4.534 4.170 -0.001 0.000 0.290 245 I C -1.864 174.187 176.117 -0.110 0.000 0.994 245 I CA -2.110 59.179 61.300 -0.017 0.000 1.191 245 I CB 1.505 39.526 38.000 0.035 0.000 1.343 245 I HN -0.007 nan 8.210 nan 0.000 0.458 246 P HA 0.052 nan 4.420 nan 0.000 0.268 246 P C -0.800 176.337 177.300 -0.273 0.000 1.208 246 P CA -0.105 62.673 63.100 -0.536 0.000 0.777 246 P CB 0.640 31.633 31.700 -1.177 0.000 0.875 247 V N 4.646 124.434 119.914 -0.211 0.000 2.409 247 V HA 0.398 4.517 4.120 -0.001 0.000 0.291 247 V C 0.240 176.328 176.094 -0.010 0.000 1.020 247 V CA -0.314 61.938 62.300 -0.081 0.000 0.848 247 V CB 1.119 32.894 31.823 -0.081 0.000 0.990 247 V HN 0.389 nan 8.190 nan 0.000 0.430 248 I N 4.418 125.008 120.570 0.034 0.000 2.474 248 I HA 0.606 4.775 4.170 -0.001 0.000 0.294 248 I C 0.286 176.465 176.117 0.104 0.000 1.005 248 I CA -0.258 61.098 61.300 0.093 0.000 1.113 248 I CB 2.563 40.642 38.000 0.133 0.000 1.289 248 I HN 0.738 nan 8.210 nan 0.000 0.436 249 T N 0.460 115.082 114.554 0.114 0.000 2.942 249 T HA 0.571 4.920 4.350 -0.001 0.000 0.289 249 T C 0.137 174.926 174.700 0.148 0.000 1.044 249 T CA -0.695 61.473 62.100 0.114 0.000 1.023 249 T CB 1.699 70.625 68.868 0.097 0.000 1.123 249 T HN 0.644 nan 8.240 nan 0.000 0.512 250 T N 0.020 114.647 114.554 0.121 0.000 2.698 250 T HA 0.206 4.555 4.350 -0.001 0.000 0.295 250 T C 0.925 175.755 174.700 0.218 0.000 1.007 250 T CA -0.451 61.701 62.100 0.087 0.000 0.980 250 T CB -0.093 68.766 68.868 -0.014 0.000 1.036 250 T HN 0.532 nan 8.240 nan 0.000 0.526 251 Y N 0.656 121.049 120.300 0.155 0.000 2.114 251 Y HA -0.048 4.502 4.550 -0.001 0.000 0.282 251 Y C 2.360 178.439 175.900 0.299 0.000 1.165 251 Y CA 1.028 59.260 58.100 0.221 0.000 1.148 251 Y CB -1.225 37.368 38.460 0.221 0.000 0.972 251 Y HN 0.675 nan 8.280 nan 0.000 0.504 252 I N -3.271 117.533 120.570 0.390 0.000 3.860 252 I HA 0.415 4.584 4.170 -0.001 0.000 0.319 252 I C 1.759 178.080 176.117 0.342 0.000 1.279 252 I CA 0.712 62.245 61.300 0.387 0.000 1.220 252 I CB -0.292 37.907 38.000 0.332 0.000 1.027 252 I HN -0.021 nan 8.210 nan 0.000 0.428 253 A N 1.128 124.079 122.820 0.219 0.000 2.278 253 A HA 0.178 4.498 4.320 -0.001 0.000 0.212 253 A C 0.891 178.532 177.584 0.095 0.000 1.213 253 A CA -0.177 51.920 52.037 0.101 0.000 0.840 253 A CB -0.462 18.577 19.000 0.064 0.000 0.866 253 A HN 0.350 nan 8.150 nan 0.000 0.489 254 K N -0.171 120.330 120.400 0.169 0.000 2.472 254 K HA 0.286 4.606 4.320 -0.001 0.000 0.280 254 K C 1.099 177.762 176.600 0.104 0.000 1.028 254 K CA 0.952 57.320 56.287 0.136 0.000 1.045 254 K CB 0.052 32.655 32.500 0.172 0.000 0.902 254 K HN 0.604 nan 8.250 nan 0.000 0.478 255 G N 1.106 109.939 108.800 0.055 0.000 2.163 255 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.213 255 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.213 255 G C 0.660 175.552 174.900 -0.015 0.000 0.991 255 G CA 0.118 45.238 45.100 0.032 0.000 0.653 255 G HN 0.538 nan 8.290 nan 0.000 0.518 256 V N -1.648 118.245 119.914 -0.036 0.000 2.720 256 V HA 0.384 4.503 4.120 -0.001 0.000 0.256 256 V C 1.271 177.327 176.094 -0.064 0.000 1.082 256 V CA 1.521 63.783 62.300 -0.063 0.000 1.101 256 V CB -0.365 31.419 31.823 -0.065 0.000 0.693 256 V HN 0.454 nan 8.190 nan 0.000 0.479 257 L N 0.280 121.466 121.223 -0.062 0.000 2.333 257 L HA 0.591 4.930 4.340 -0.001 0.000 0.269 257 L C -2.445 174.434 176.870 0.016 0.000 1.010 257 L CA -2.317 52.475 54.840 -0.079 0.000 0.818 257 L CB 1.812 43.731 42.059 -0.235 0.000 1.306 257 L HN -0.054 nan 8.230 nan 0.000 0.430 258 P HA -0.001 nan 4.420 nan 0.000 0.269 258 P C -0.568 176.793 177.300 0.101 0.000 1.217 258 P CA -0.335 62.821 63.100 0.093 0.000 0.783 258 P CB 0.371 32.141 31.700 0.116 0.000 0.898 259 V N 1.849 121.808 119.914 0.075 0.000 2.599 259 V HA 0.259 4.378 4.120 -0.001 0.000 0.300 259 V C 1.720 177.859 176.094 0.075 0.000 1.034 259 V CA 1.897 64.238 62.300 0.069 0.000 1.115 259 V CB -0.452 31.403 31.823 0.052 0.000 0.934 259 V HN 1.050 nan 8.190 nan 0.000 0.485 260 G N 2.743 111.589 108.800 0.077 0.000 2.241 260 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.244 260 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.244 260 G C 0.393 175.346 174.900 0.088 0.000 0.998 260 G CA 0.240 45.378 45.100 0.063 0.000 0.621 260 G HN 0.911 nan 8.290 nan 0.000 0.519 261 H N 2.588 121.678 119.070 0.033 0.000 3.001 261 H HA 0.172 4.727 4.556 -0.001 0.000 0.334 261 H C 1.937 177.300 175.328 0.058 0.000 1.034 261 H CA 1.195 57.267 56.048 0.040 0.000 1.420 261 H CB 0.702 30.486 29.762 0.038 0.000 1.405 261 H HN 0.695 nan 8.280 nan 0.000 0.593 262 E N 4.217 124.563 120.200 0.243 0.000 2.347 262 E HA -0.075 4.274 4.350 -0.001 0.000 0.196 262 E C 1.237 178.044 176.600 0.345 0.000 1.008 262 E CA 0.562 57.093 56.400 0.219 0.000 0.852 262 E CB 0.134 29.897 29.700 0.106 0.000 0.783 262 E HN 0.569 nan 8.360 nan 0.000 0.505 263 L N 0.851 122.340 121.223 0.443 0.000 2.567 263 L HA 0.116 4.455 4.340 -0.001 0.000 0.225 263 L C 0.939 177.897 176.870 0.146 0.000 1.119 263 L CA -0.340 54.616 54.840 0.192 0.000 0.871 263 L CB -0.188 41.894 42.059 0.039 0.000 1.036 263 L HN 0.040 nan 8.230 nan 0.000 0.459 264 N N 0.310 119.127 118.700 0.196 0.000 2.498 264 N HA -0.103 4.636 4.740 -0.001 0.000 0.277 264 N C 0.256 175.921 175.510 0.258 0.000 1.208 264 N CA 0.253 53.393 53.050 0.150 0.000 1.029 264 N CB 0.115 38.672 38.487 0.116 0.000 1.403 264 N HN 0.056 nan 8.380 nan 0.000 0.500 265 Y N 1.587 121.869 120.300 -0.029 0.000 2.471 265 Y HA 0.277 4.827 4.550 -0.001 0.000 0.286 265 Y C 1.656 177.521 175.900 -0.058 0.000 1.188 265 Y CA 0.236 58.303 58.100 -0.055 0.000 1.286 265 Y CB -0.281 38.134 38.460 -0.076 0.000 1.072 265 Y HN 0.603 nan 8.280 nan 0.000 0.517 266 G N -0.029 108.825 108.800 0.090 0.000 2.710 266 G HA2 0.149 4.108 3.960 -0.001 0.000 0.668 266 G HA3 0.149 4.108 3.960 -0.001 0.000 0.668 266 G C -0.611 174.316 174.900 0.045 0.000 1.320 266 G CA -0.745 44.369 45.100 0.023 0.000 0.860 266 G HN 0.501 nan 8.290 nan 0.000 0.538 267 A N -1.003 121.832 122.820 0.026 0.000 2.279 267 A HA 0.855 5.175 4.320 -0.001 0.000 0.303 267 A C 0.331 177.978 177.584 0.104 0.000 1.108 267 A CA 0.064 52.154 52.037 0.088 0.000 0.830 267 A CB 1.478 20.538 19.000 0.100 0.000 1.106 267 A HN 1.896 nan 8.150 nan 0.000 0.493 268 V N 0.617 120.650 119.914 0.199 0.000 2.547 268 V HA 0.734 4.853 4.120 -0.001 0.000 0.299 268 V C 0.405 176.692 176.094 0.321 0.000 1.040 268 V CA -0.067 62.373 62.300 0.234 0.000 0.913 268 V CB 1.606 33.620 31.823 0.319 0.000 0.992 268 V HN 1.077 nan 8.190 nan 0.000 0.449 269 T N 1.901 116.613 114.554 0.262 0.000 2.916 269 T HA 0.499 4.848 4.350 -0.001 0.000 0.305 269 T C 1.131 175.942 174.700 0.184 0.000 1.119 269 T CA 0.252 62.562 62.100 0.349 0.000 1.008 269 T CB 1.711 70.775 68.868 0.327 0.000 1.129 269 T HN 0.850 nan 8.240 nan 0.000 0.480 270 G N 1.360 110.246 108.800 0.144 0.000 2.485 270 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.221 270 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.221 270 G C 0.714 175.555 174.900 -0.100 0.000 1.115 270 G CA 0.911 45.993 45.100 -0.031 0.000 0.751 270 G HN 0.803 nan 8.290 nan 0.000 0.567 271 Y N 0.619 120.865 120.300 -0.090 0.000 2.490 271 Y HA 0.162 4.711 4.550 -0.001 0.000 0.281 271 Y C 2.810 178.679 175.900 -0.051 0.000 1.174 271 Y CA 0.557 58.671 58.100 0.022 0.000 1.295 271 Y CB -0.220 38.187 38.460 -0.089 0.000 1.062 271 Y HN 0.285 nan 8.280 nan 0.000 0.522 272 M N -1.336 118.272 119.600 0.012 0.000 2.229 272 M HA -0.120 4.359 4.480 -0.001 0.000 0.264 272 M C 0.745 176.951 176.300 -0.156 0.000 1.063 272 M CA 1.909 57.142 55.300 -0.110 0.000 1.114 272 M CB -0.278 32.263 32.600 -0.099 0.000 1.387 272 M HN -0.043 nan 8.290 nan 0.000 0.420 273 D N 1.351 121.662 120.400 -0.150 0.000 2.144 273 D HA -0.011 4.628 4.640 -0.001 0.000 0.200 273 D C 2.304 178.425 176.300 -0.300 0.000 0.978 273 D CA 1.764 55.663 54.000 -0.169 0.000 0.833 273 D CB -0.547 40.159 40.800 -0.156 0.000 0.961 273 D HN 0.604 nan 8.370 nan 0.000 0.470 274 G N 0.423 108.852 108.800 -0.619 0.000 2.403 274 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.216 274 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.216 274 G C 1.747 176.429 174.900 -0.364 0.000 1.154 274 G CA 0.158 44.579 45.100 -1.131 0.000 0.784 274 G HN 0.241 nan 8.290 nan 0.000 0.538 275 I N 0.247 120.739 120.570 -0.130 0.000 2.252 275 I HA -0.050 4.119 4.170 -0.001 0.000 0.245 275 I C 2.464 178.481 176.117 -0.165 0.000 1.102 275 I CA 0.765 62.038 61.300 -0.045 0.000 1.385 275 I CB -0.089 37.676 38.000 -0.391 0.000 1.064 275 I HN 0.093 nan 8.210 nan 0.000 0.414 276 L N 0.133 121.171 121.223 -0.308 0.000 2.418 276 L HA -0.008 4.332 4.340 -0.001 0.000 0.218 276 L C 0.577 177.474 176.870 0.045 0.000 1.125 276 L CA 0.126 54.724 54.840 -0.404 0.000 0.835 276 L CB -0.532 41.303 42.059 -0.372 0.000 0.953 276 L HN 0.391 nan 8.230 nan 0.000 0.454 277 N N 0.310 119.050 118.700 0.068 0.000 2.696 277 N HA -0.298 4.441 4.740 -0.001 0.000 0.256 277 N C -0.850 174.784 175.510 0.206 0.000 1.031 277 N CA 0.490 53.614 53.050 0.123 0.000 0.730 277 N CB -1.058 37.548 38.487 0.199 0.000 0.894 277 N HN 0.273 nan 8.380 nan 0.000 0.544 278 F N 0.063 119.979 119.950 -0.057 0.000 2.688 278 F HA 0.456 4.982 4.527 -0.001 0.000 0.308 278 F C -2.343 173.417 175.800 -0.066 0.000 1.117 278 F CA -1.589 56.384 58.000 -0.045 0.000 0.976 278 F CB 1.620 40.591 39.000 -0.048 0.000 1.291 278 F HN -0.013 nan 8.300 nan 0.000 0.439 279 P HA 0.221 nan 4.420 nan 0.000 0.230 279 P C -0.183 177.031 177.300 -0.144 0.000 1.791 279 P CA 0.338 63.253 63.100 -0.309 0.000 1.020 279 P CB 0.449 31.928 31.700 -0.368 0.000 1.977 280 A N 2.455 125.329 122.820 0.089 0.000 1.897 280 A HA -0.086 4.233 4.320 -0.001 0.000 0.215 280 A C 2.066 179.708 177.584 0.095 0.000 1.181 280 A CA 0.991 53.144 52.037 0.194 0.000 0.620 280 A CB -1.032 18.047 19.000 0.133 0.000 0.821 280 A HN 0.339 nan 8.150 nan 0.000 0.443 281 L N -1.145 120.131 121.223 0.089 0.000 2.093 281 L HA -0.215 4.124 4.340 -0.001 0.000 0.208 281 L C 2.834 179.820 176.870 0.192 0.000 1.085 281 L CA 1.666 56.615 54.840 0.182 0.000 0.755 281 L CB -0.446 41.725 42.059 0.187 0.000 0.904 281 L HN 0.468 nan 8.230 nan 0.000 0.435 282 Q N -0.318 119.538 119.800 0.093 0.000 2.061 282 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 282 Q C 2.112 178.154 176.000 0.070 0.000 0.984 282 Q CA 2.431 58.275 55.803 0.068 0.000 0.846 282 Q CB -0.084 28.646 28.738 -0.013 0.000 0.902 282 Q HN 0.385 nan 8.270 nan 0.000 0.421 283 T N 0.188 114.772 114.554 0.050 0.000 2.746 283 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 283 T C 1.607 176.358 174.700 0.085 0.000 1.039 283 T CA 1.518 63.664 62.100 0.076 0.000 1.142 283 T CB -0.257 68.694 68.868 0.138 0.000 0.866 283 T HN 0.289 nan 8.240 nan 0.000 0.444 284 M N 0.044 119.647 119.600 0.006 0.000 2.175 284 M HA 0.072 4.552 4.480 -0.001 0.000 0.264 284 M C 0.827 176.993 176.300 -0.223 0.000 1.063 284 M CA 1.709 56.898 55.300 -0.184 0.000 1.119 284 M CB -0.190 32.108 32.600 -0.503 0.000 1.377 284 M HN 0.202 nan 8.290 nan 0.000 0.415 285 F N -1.799 118.236 119.950 0.142 0.000 2.789 285 F HA 0.473 4.999 4.527 -0.001 0.000 0.320 285 F C 2.004 177.798 175.800 -0.010 0.000 1.079 285 F CA 0.122 58.161 58.000 0.066 0.000 1.205 285 F CB -1.015 38.061 39.000 0.126 0.000 1.046 285 F HN 0.098 nan 8.300 nan 0.000 0.586 286 A N 1.465 124.375 122.820 0.149 0.000 1.883 286 A HA -0.120 4.199 4.320 -0.001 0.000 0.217 286 A C -0.389 177.195 177.584 0.000 0.000 1.186 286 A CA 1.930 54.010 52.037 0.072 0.000 0.624 286 A CB -1.950 17.076 19.000 0.042 0.000 0.822 286 A HN 0.189 nan 8.150 nan 0.000 0.444 287 P HA 0.107 nan 4.420 nan 0.000 0.236 287 P C 0.103 177.284 177.300 -0.200 0.000 1.177 287 P CA 0.301 63.295 63.100 -0.178 0.000 0.773 287 P CB -0.220 31.320 31.700 -0.266 0.000 0.878 288 V N 3.212 123.014 119.914 -0.187 0.000 2.585 288 V HA -0.015 4.104 4.120 -0.001 0.000 0.296 288 V C 1.423 177.526 176.094 0.015 0.000 1.035 288 V CA 0.944 63.184 62.300 -0.099 0.000 1.084 288 V CB 0.374 32.179 31.823 -0.030 0.000 0.953 288 V HN 0.201 nan 8.190 nan 0.000 0.483 289 D N 2.818 123.250 120.400 0.053 0.000 2.441 289 D HA 0.183 4.823 4.640 -0.001 0.000 0.210 289 D C -0.119 176.206 176.300 0.042 0.000 1.102 289 D CA -0.101 53.933 54.000 0.057 0.000 0.840 289 D CB 0.646 41.492 40.800 0.076 0.000 0.990 289 D HN 0.328 nan 8.370 nan 0.000 0.505 290 L N 1.013 122.254 121.223 0.030 0.000 2.528 290 L HA 0.434 4.773 4.340 -0.001 0.000 0.267 290 L C -1.807 175.037 176.870 -0.044 0.000 0.961 290 L CA -0.862 53.983 54.840 0.007 0.000 0.866 290 L CB 2.195 44.280 42.059 0.044 0.000 1.248 290 L HN -0.183 nan 8.230 nan 0.000 0.404 291 V N 6.312 126.136 119.914 -0.149 0.000 2.347 291 V HA 0.439 4.558 4.120 -0.001 0.000 0.280 291 V C -0.232 175.695 176.094 -0.278 0.000 1.021 291 V CA -0.392 61.725 62.300 -0.304 0.000 0.847 291 V CB 1.350 32.718 31.823 -0.760 0.000 0.990 291 V HN 0.559 nan 8.190 nan 0.000 0.444 292 L N 5.218 126.327 121.223 -0.190 0.000 2.259 292 L HA 0.388 4.727 4.340 -0.001 0.000 0.288 292 L C 0.848 177.595 176.870 -0.204 0.000 1.051 292 L CA 0.005 54.741 54.840 -0.174 0.000 0.824 292 L CB 1.426 43.425 42.059 -0.101 0.000 1.206 292 L HN 0.774 nan 8.230 nan 0.000 0.429 293 T N 0.576 114.988 114.554 -0.236 0.000 2.863 293 T HA 0.407 4.757 4.350 -0.001 0.000 0.299 293 T C 0.036 174.700 174.700 -0.059 0.000 0.973 293 T CA -0.714 61.300 62.100 -0.142 0.000 0.994 293 T CB 0.044 68.799 68.868 -0.188 0.000 0.961 293 T HN 0.139 nan 8.240 nan 0.000 0.552 294 V N 3.581 123.463 119.914 -0.053 0.000 2.408 294 V HA 0.581 4.700 4.120 -0.001 0.000 0.267 294 V C 1.427 177.518 176.094 -0.006 0.000 1.047 294 V CA 0.097 62.353 62.300 -0.073 0.000 0.937 294 V CB 0.014 31.817 31.823 -0.033 0.000 0.999 294 V HN 1.282 nan 8.190 nan 0.000 0.472 295 G N 3.845 112.632 108.800 -0.021 0.000 2.298 295 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.287 295 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.287 295 G C -0.269 174.665 174.900 0.058 0.000 1.075 295 G CA 0.011 45.115 45.100 0.007 0.000 0.960 295 G HN 0.918 nan 8.290 nan 0.000 0.502 296 Y N 0.856 121.153 120.300 -0.006 0.000 2.425 296 Y HA 0.488 5.037 4.550 -0.001 0.000 0.331 296 Y C 0.170 176.117 175.900 0.078 0.000 1.157 296 Y CA 0.037 58.172 58.100 0.058 0.000 1.372 296 Y CB 1.260 39.804 38.460 0.141 0.000 1.253 296 Y HN 0.249 nan 8.280 nan 0.000 0.536 297 D N 4.611 124.537 120.400 -0.791 0.000 2.613 297 D HA 0.021 4.661 4.640 -0.001 0.000 0.230 297 D C -0.211 175.710 176.300 -0.632 0.000 1.365 297 D CA -0.500 53.201 54.000 -0.499 0.000 0.976 297 D CB 0.248 40.918 40.800 -0.216 0.000 1.415 297 D HN 0.547 nan 8.370 nan 0.000 0.589 298 Y N 3.740 123.715 120.300 -0.543 0.000 2.256 298 Y HA -0.124 4.425 4.550 -0.001 0.000 0.288 298 Y C 1.952 177.743 175.900 -0.181 0.000 1.155 298 Y CA 2.201 60.147 58.100 -0.257 0.000 1.203 298 Y CB -0.206 38.258 38.460 0.007 0.000 0.980 298 Y HN 0.535 nan 8.280 nan 0.000 0.530 299 A N 0.112 122.860 122.820 -0.120 0.000 1.978 299 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 299 A C 2.051 179.509 177.584 -0.210 0.000 1.170 299 A CA 1.840 53.779 52.037 -0.164 0.000 0.636 299 A CB -0.664 18.284 19.000 -0.088 0.000 0.810 299 A HN 0.635 nan 8.150 nan 0.000 0.448 300 E N -1.539 118.519 120.200 -0.236 0.000 2.333 300 E HA -0.131 4.219 4.350 -0.001 0.000 0.198 300 E C 0.228 176.598 176.600 -0.383 0.000 1.007 300 E CA 0.564 56.792 56.400 -0.286 0.000 0.845 300 E CB -0.099 29.447 29.700 -0.257 0.000 0.766 300 E HN 0.545 nan 8.360 nan 0.000 0.507 301 D N -0.780 119.434 120.400 -0.309 0.000 3.091 301 D HA -0.153 4.486 4.640 -0.001 0.000 0.216 301 D C -1.024 175.186 176.300 -0.149 0.000 1.129 301 D CA 0.224 54.069 54.000 -0.258 0.000 0.913 301 D CB -0.921 39.776 40.800 -0.172 0.000 1.101 301 D HN 0.063 nan 8.370 nan 0.000 0.426 302 L N 1.710 122.879 121.223 -0.090 0.000 2.302 302 L HA 0.410 4.749 4.340 -0.001 0.000 0.285 302 L C 0.206 177.206 176.870 0.216 0.000 1.090 302 L CA 0.138 55.035 54.840 0.096 0.000 0.866 302 L CB 0.048 42.206 42.059 0.165 0.000 1.244 302 L HN 0.005 nan 8.230 nan 0.000 0.435 303 R N 5.387 125.923 120.500 0.061 0.000 2.536 303 R HA 0.367 4.706 4.340 -0.001 0.000 0.279 303 R C -1.627 174.357 176.300 -0.527 0.000 1.001 303 R CA -1.662 54.426 56.100 -0.020 0.000 1.027 303 R CB 0.460 30.748 30.300 -0.020 0.000 1.096 303 R HN 0.333 nan 8.270 nan 0.000 0.502 304 P HA -0.219 nan 4.420 nan 0.000 0.216 304 P C 1.251 177.736 177.300 -1.359 0.000 1.150 304 P CA 1.563 63.484 63.100 -1.964 0.000 0.843 304 P CB 0.136 31.150 31.700 -1.144 0.000 0.787 305 S N -1.619 113.675 115.700 -0.676 0.000 2.419 305 S HA -0.194 4.275 4.470 -0.001 0.000 0.235 305 S C 1.884 176.254 174.600 -0.383 0.000 1.019 305 S CA 1.328 59.268 58.200 -0.434 0.000 0.982 305 S CB -1.344 61.710 63.200 -0.244 0.000 0.789 305 S HN 0.081 nan 8.310 nan 0.000 0.490 306 M N 0.134 119.500 119.600 -0.390 0.000 2.200 306 M HA 0.088 4.567 4.480 -0.001 0.000 0.265 306 M C 1.957 178.125 176.300 -0.220 0.000 1.066 306 M CA 1.528 56.715 55.300 -0.188 0.000 1.127 306 M CB -0.356 32.218 32.600 -0.044 0.000 1.379 306 M HN 0.796 nan 8.290 nan 0.000 0.420 307 W N -0.077 120.906 121.300 -0.527 0.000 3.197 307 W HA 0.205 4.864 4.660 -0.001 0.000 0.274 307 W C 0.047 176.284 176.519 -0.470 0.000 1.297 307 W CA -0.271 56.453 57.345 -1.036 0.000 1.662 307 W CB -0.726 27.867 29.460 -1.445 0.000 1.106 307 W HN 0.013 nan 8.180 nan 0.000 0.663 308 Q N 2.521 122.109 119.800 -0.355 0.000 3.181 308 Q HA 0.145 4.484 4.340 -0.001 0.000 0.293 308 Q C -0.310 175.652 176.000 -0.063 0.000 1.406 308 Q CA 0.362 56.065 55.803 -0.167 0.000 1.026 308 Q CB -0.011 28.567 28.738 -0.268 0.000 1.630 308 Q HN -0.062 nan 8.270 nan 0.000 0.553 309 K N 0.197 120.614 120.400 0.027 0.000 2.318 309 K HA 0.608 4.928 4.320 -0.001 0.000 0.249 309 K C 0.470 177.110 176.600 0.066 0.000 0.942 309 K CA -0.062 56.258 56.287 0.055 0.000 0.808 309 K CB 2.027 34.601 32.500 0.123 0.000 1.189 309 K HN 0.466 nan 8.250 nan 0.000 0.428 310 G N 2.335 111.157 108.800 0.036 0.000 2.556 310 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.283 310 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.283 310 G C 0.247 175.161 174.900 0.022 0.000 1.177 310 G CA 0.182 45.298 45.100 0.026 0.000 0.978 310 G HN 0.783 nan 8.290 nan 0.000 0.554 311 I N 0.190 120.773 120.570 0.023 0.000 2.938 311 I HA 0.634 4.804 4.170 -0.001 0.000 0.285 311 I C 0.817 176.955 176.117 0.035 0.000 1.182 311 I CA 0.277 61.590 61.300 0.023 0.000 1.388 311 I CB 0.140 38.151 38.000 0.018 0.000 1.390 311 I HN 1.186 nan 8.210 nan 0.000 0.600 312 E N 4.695 124.914 120.200 0.031 0.000 2.414 312 E HA 0.244 4.593 4.350 -0.001 0.000 0.263 312 E C -0.680 175.950 176.600 0.050 0.000 1.000 312 E CA -0.240 56.183 56.400 0.038 0.000 0.914 312 E CB 0.223 29.940 29.700 0.028 0.000 0.948 312 E HN 0.680 nan 8.360 nan 0.000 0.444 313 K N 1.733 122.174 120.400 0.069 0.000 2.259 313 K HA 0.430 4.750 4.320 -0.001 0.000 0.249 313 K C -0.292 176.348 176.600 0.067 0.000 0.942 313 K CA -0.914 55.414 56.287 0.068 0.000 0.816 313 K CB 2.018 34.570 32.500 0.086 0.000 1.155 313 K HN 0.366 nan 8.250 nan 0.000 0.428 314 K N 1.276 121.703 120.400 0.045 0.000 2.118 314 K HA 0.306 4.626 4.320 -0.001 0.000 0.264 314 K C -0.203 176.409 176.600 0.020 0.000 1.000 314 K CA -0.348 55.964 56.287 0.041 0.000 0.929 314 K CB 1.412 33.934 32.500 0.036 0.000 1.021 314 K HN 0.832 nan 8.250 nan 0.000 0.463 315 T N -2.347 112.225 114.554 0.030 0.000 2.876 315 T HA 0.521 4.870 4.350 -0.001 0.000 0.289 315 T C -0.435 174.250 174.700 -0.025 0.000 1.014 315 T CA -0.879 61.221 62.100 -0.001 0.000 0.986 315 T CB 1.421 70.379 68.868 0.151 0.000 1.021 315 T HN 0.137 nan 8.240 nan 0.000 0.458 316 V N 2.572 122.441 119.914 -0.075 0.000 2.407 316 V HA 0.554 4.674 4.120 -0.001 0.000 0.291 316 V C 0.197 176.195 176.094 -0.160 0.000 1.018 316 V CA -1.002 61.231 62.300 -0.112 0.000 0.842 316 V CB 1.441 33.202 31.823 -0.103 0.000 0.996 316 V HN 0.990 nan 8.190 nan 0.000 0.426 317 R N 4.478 124.863 120.500 -0.193 0.000 2.254 317 R HA 0.673 5.012 4.340 -0.001 0.000 0.318 317 R C -1.324 174.822 176.300 -0.258 0.000 1.031 317 R CA -0.411 55.578 56.100 -0.185 0.000 0.905 317 R CB 0.756 30.879 30.300 -0.296 0.000 1.050 317 R HN 0.654 nan 8.270 nan 0.000 0.456 318 I N 2.997 123.397 120.570 -0.283 0.000 2.389 318 I HA 0.322 4.491 4.170 -0.001 0.000 0.288 318 I C -0.482 175.521 176.117 -0.191 0.000 0.999 318 I CA -0.022 61.043 61.300 -0.392 0.000 1.129 318 I CB 2.008 39.540 38.000 -0.779 0.000 1.288 318 I HN 0.552 nan 8.210 nan 0.000 0.444 319 S N 6.711 122.318 115.700 -0.155 0.000 2.537 319 S HA 0.571 5.040 4.470 -0.001 0.000 0.270 319 S C -2.638 171.899 174.600 -0.105 0.000 1.142 319 S CA -1.107 57.044 58.200 -0.083 0.000 0.870 319 S CB 2.056 65.255 63.200 -0.002 0.000 1.112 319 S HN 0.371 nan 8.310 nan 0.000 0.466 320 P HA 0.196 nan 4.420 nan 0.000 0.258 320 P C -0.142 177.122 177.300 -0.060 0.000 1.559 320 P CA 0.123 63.166 63.100 -0.095 0.000 0.855 320 P CB -0.904 30.746 31.700 -0.083 0.000 1.594 321 T N -4.288 110.239 114.554 -0.046 0.000 2.883 321 T HA 0.392 4.742 4.350 -0.001 0.000 0.301 321 T C -0.341 174.344 174.700 -0.025 0.000 1.158 321 T CA -0.768 61.316 62.100 -0.026 0.000 1.007 321 T CB 1.211 70.075 68.868 -0.006 0.000 1.186 321 T HN -0.235 nan 8.240 nan 0.000 0.499 322 V N 2.709 122.612 119.914 -0.019 0.000 2.740 322 V HA 0.219 4.338 4.120 -0.001 0.000 0.303 322 V C 0.986 177.071 176.094 -0.014 0.000 1.054 322 V CA -0.541 61.747 62.300 -0.021 0.000 1.106 322 V CB 0.521 32.335 31.823 -0.015 0.000 0.957 322 V HN 1.000 nan 8.190 nan 0.000 0.486 323 N N 6.726 125.408 118.700 -0.029 0.000 2.429 323 N HA 0.076 4.815 4.740 -0.001 0.000 0.271 323 N C -1.153 174.349 175.510 -0.014 0.000 1.272 323 N CA -1.382 51.653 53.050 -0.024 0.000 0.921 323 N CB 0.951 39.387 38.487 -0.086 0.000 1.128 323 N HN 0.411 nan 8.380 nan 0.000 0.481 324 P HA 0.093 nan 4.420 nan 0.000 0.255 324 P C 0.150 177.443 177.300 -0.012 0.000 1.248 324 P CA 0.534 63.638 63.100 0.006 0.000 0.807 324 P CB -0.075 31.642 31.700 0.028 0.000 1.150 325 I N -3.915 116.634 120.570 -0.034 0.000 2.944 325 I HA 0.412 4.581 4.170 -0.001 0.000 0.334 325 I C -1.958 174.107 176.117 -0.087 0.000 1.420 325 I CA -2.462 58.783 61.300 -0.093 0.000 0.856 325 I CB 1.171 39.025 38.000 -0.244 0.000 2.091 325 I HN -0.349 nan 8.210 nan 0.000 0.571 326 P HA -0.196 nan 4.420 nan 0.000 0.221 326 P C 1.514 178.781 177.300 -0.057 0.000 1.145 326 P CA 1.192 64.252 63.100 -0.066 0.000 0.795 326 P CB 0.070 31.735 31.700 -0.059 0.000 0.775 327 R N 0.060 120.525 120.500 -0.059 0.000 2.120 327 R HA -0.061 4.279 4.340 -0.001 0.000 0.234 327 R C 1.614 177.876 176.300 -0.064 0.000 1.123 327 R CA 1.286 57.354 56.100 -0.053 0.000 0.975 327 R CB -0.176 30.096 30.300 -0.046 0.000 0.866 327 R HN 0.068 nan 8.270 nan 0.000 0.446 328 V N -1.131 118.724 119.914 -0.100 0.000 2.908 328 V HA 0.059 4.178 4.120 -0.001 0.000 0.240 328 V C -0.222 175.843 176.094 -0.049 0.000 1.117 328 V CA 0.327 62.551 62.300 -0.126 0.000 1.133 328 V CB 0.222 31.866 31.823 -0.299 0.000 0.857 328 V HN 0.175 nan 8.190 nan 0.000 0.478 329 Y N 2.211 122.397 120.300 -0.191 0.000 2.363 329 Y HA 0.556 5.106 4.550 -0.001 0.000 0.325 329 Y C -0.101 175.742 175.900 -0.095 0.000 0.984 329 Y CA -1.863 56.152 58.100 -0.141 0.000 1.248 329 Y CB 0.789 39.158 38.460 -0.152 0.000 1.116 329 Y HN 0.029 nan 8.280 nan 0.000 0.470 330 R N 7.435 127.949 120.500 0.023 0.000 2.505 330 R HA 0.305 4.645 4.340 -0.001 0.000 0.284 330 R C -2.639 173.571 176.300 -0.150 0.000 1.324 330 R CA -1.635 54.392 56.100 -0.121 0.000 1.432 330 R CB 0.878 31.151 30.300 -0.045 0.000 1.107 330 R HN 0.478 nan 8.270 nan 0.000 0.587 331 P HA 0.020 nan 4.420 nan 0.000 0.269 331 P C 0.013 177.239 177.300 -0.123 0.000 1.209 331 P CA -0.143 62.790 63.100 -0.279 0.000 0.776 331 P CB 1.172 32.551 31.700 -0.534 0.000 0.876 332 D N 0.116 120.490 120.400 -0.042 0.000 2.178 332 D HA -0.027 4.613 4.640 -0.001 0.000 0.201 332 D C 0.340 176.619 176.300 -0.035 0.000 0.980 332 D CA 1.377 55.363 54.000 -0.023 0.000 0.842 332 D CB 0.328 41.132 40.800 0.008 0.000 0.948 332 D HN 0.120 nan 8.370 nan 0.000 0.472 333 V N 1.014 120.895 119.914 -0.055 0.000 2.623 333 V HA 0.169 4.288 4.120 -0.001 0.000 0.304 333 V C -0.940 175.090 176.094 -0.106 0.000 1.054 333 V CA -0.935 61.335 62.300 -0.050 0.000 0.882 333 V CB 2.586 34.407 31.823 -0.003 0.000 1.002 333 V HN -0.157 nan 8.190 nan 0.000 0.424 334 D N 3.417 123.755 120.400 -0.104 0.000 2.425 334 D HA 0.511 5.150 4.640 -0.001 0.000 0.240 334 D C -0.855 175.395 176.300 -0.083 0.000 1.080 334 D CA -0.157 53.760 54.000 -0.139 0.000 0.836 334 D CB 2.005 42.715 40.800 -0.151 0.000 1.125 334 D HN 0.269 nan 8.370 nan 0.000 0.525 335 V N 4.442 124.285 119.914 -0.118 0.000 2.293 335 V HA 0.271 4.391 4.120 -0.001 0.000 0.275 335 V C 0.222 176.244 176.094 -0.119 0.000 1.021 335 V CA -0.874 61.384 62.300 -0.069 0.000 0.815 335 V CB 1.370 33.117 31.823 -0.126 0.000 1.025 335 V HN 0.349 nan 8.190 nan 0.000 0.448 336 V N 4.912 124.791 119.914 -0.058 0.000 2.320 336 V HA 0.638 4.757 4.120 -0.001 0.000 0.265 336 V C 0.337 176.314 176.094 -0.195 0.000 1.048 336 V CA 0.460 62.699 62.300 -0.102 0.000 0.865 336 V CB 0.816 32.609 31.823 -0.050 0.000 1.043 336 V HN 1.011 nan 8.190 nan 0.000 0.474 337 T N 2.645 117.007 114.554 -0.320 0.000 2.658 337 T HA 0.233 4.582 4.350 -0.001 0.000 0.305 337 T C -1.584 172.878 174.700 -0.398 0.000 1.551 337 T CA -0.622 61.137 62.100 -0.568 0.000 0.985 337 T CB 1.700 69.780 68.868 -1.312 0.000 1.731 337 T HN 0.682 nan 8.240 nan 0.000 0.486 338 D N 0.451 120.607 120.400 -0.406 0.000 2.382 338 D HA 0.312 4.952 4.640 -0.001 0.000 0.245 338 D C 1.473 177.671 176.300 -0.170 0.000 1.120 338 D CA 0.060 53.925 54.000 -0.225 0.000 0.890 338 D CB 0.984 41.684 40.800 -0.167 0.000 1.201 338 D HN 0.227 nan 8.370 nan 0.000 0.433 339 V N 3.509 123.375 119.914 -0.079 0.000 2.307 339 V HA -0.179 3.940 4.120 -0.001 0.000 0.245 339 V C 2.183 178.320 176.094 0.071 0.000 1.045 339 V CA 1.284 63.586 62.300 0.003 0.000 1.024 339 V CB -0.700 31.122 31.823 -0.002 0.000 0.651 339 V HN 0.601 nan 8.190 nan 0.000 0.449 340 L N 1.018 122.256 121.223 0.024 0.000 2.046 340 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 340 L C 2.436 179.332 176.870 0.043 0.000 1.077 340 L CA 2.382 57.242 54.840 0.034 0.000 0.747 340 L CB -1.010 41.059 42.059 0.017 0.000 0.896 340 L HN 0.230 nan 8.230 nan 0.000 0.432 341 A N -0.977 121.846 122.820 0.005 0.000 1.933 341 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 341 A C 2.252 179.911 177.584 0.124 0.000 1.175 341 A CA 1.766 53.823 52.037 0.034 0.000 0.628 341 A CB -1.149 17.784 19.000 -0.112 0.000 0.814 341 A HN 0.597 nan 8.150 nan 0.000 0.444 342 F N 0.712 120.601 119.950 -0.102 0.000 2.113 342 F HA -0.122 4.404 4.527 -0.001 0.000 0.297 342 F C 2.067 177.978 175.800 0.186 0.000 1.103 342 F CA 1.963 59.995 58.000 0.054 0.000 1.248 342 F CB -0.433 38.507 39.000 -0.099 0.000 0.999 342 F HN 0.003 nan 8.300 nan 0.000 0.475 343 V N 0.705 120.540 119.914 -0.132 0.000 2.427 343 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 343 V C 2.243 178.296 176.094 -0.069 0.000 1.051 343 V CA 2.236 64.417 62.300 -0.199 0.000 1.048 343 V CB -0.694 31.133 31.823 0.006 0.000 0.666 343 V HN 0.379 nan 8.190 nan 0.000 0.456 344 E N -0.714 119.498 120.200 0.021 0.000 2.107 344 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 344 E C 2.104 178.744 176.600 0.066 0.000 0.982 344 E CA 1.278 57.705 56.400 0.045 0.000 0.809 344 E CB -0.157 29.586 29.700 0.071 0.000 0.756 344 E HN 0.779 nan 8.360 nan 0.000 0.459 345 H N -0.661 118.439 119.070 0.050 0.000 2.395 345 H HA -0.110 4.445 4.556 -0.001 0.000 0.299 345 H C 1.758 177.065 175.328 -0.035 0.000 1.070 345 H CA 1.278 57.353 56.048 0.045 0.000 1.356 345 H CB 0.027 29.897 29.762 0.181 0.000 1.401 345 H HN 0.101 nan 8.280 nan 0.000 0.524 346 F N 1.319 121.195 119.950 -0.123 0.000 2.234 346 F HA -0.100 4.427 4.527 -0.001 0.000 0.299 346 F C 2.208 177.853 175.800 -0.258 0.000 1.087 346 F CA 1.083 58.920 58.000 -0.271 0.000 1.340 346 F CB -0.026 38.552 39.000 -0.704 0.000 1.031 346 F HN 0.179 nan 8.300 nan 0.000 0.500 347 E N -0.238 119.889 120.200 -0.122 0.000 2.038 347 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 347 E C 2.228 178.673 176.600 -0.259 0.000 1.000 347 E CA 2.033 58.325 56.400 -0.181 0.000 0.803 347 E CB -0.813 28.832 29.700 -0.091 0.000 0.750 347 E HN 0.334 nan 8.360 nan 0.000 0.448 348 T N 1.115 115.530 114.554 -0.233 0.000 2.746 348 T HA -0.108 4.241 4.350 -0.001 0.000 0.267 348 T C 1.879 176.384 174.700 -0.326 0.000 1.039 348 T CA 1.520 63.464 62.100 -0.259 0.000 1.142 348 T CB -0.203 68.500 68.868 -0.276 0.000 0.866 348 T HN 0.270 nan 8.240 nan 0.000 0.444 349 A N 1.359 123.949 122.820 -0.383 0.000 2.067 349 A HA -0.019 4.300 4.320 -0.001 0.000 0.219 349 A C 2.222 179.409 177.584 -0.663 0.000 1.158 349 A CA 1.688 53.489 52.037 -0.392 0.000 0.661 349 A CB -0.576 18.272 19.000 -0.252 0.000 0.801 349 A HN 0.594 nan 8.150 nan 0.000 0.452 350 T N -4.662 109.360 114.554 -0.887 0.000 3.182 350 T HA 0.561 4.911 4.350 -0.001 0.000 0.277 350 T C 1.308 175.527 174.700 -0.802 0.000 1.013 350 T CA 0.631 61.852 62.100 -1.464 0.000 0.900 350 T CB 0.379 68.379 68.868 -1.447 0.000 1.098 350 T HN 0.385 nan 8.240 nan 0.000 0.543 351 A N 2.209 124.755 122.820 -0.456 0.000 2.019 351 A HA 0.008 4.328 4.320 -0.001 0.000 0.219 351 A C 2.476 179.979 177.584 -0.134 0.000 1.164 351 A CA 1.675 53.568 52.037 -0.239 0.000 0.644 351 A CB -0.717 18.180 19.000 -0.172 0.000 0.805 351 A HN 0.763 nan 8.150 nan 0.000 0.449 352 S N -1.703 113.945 115.700 -0.086 0.000 2.540 352 S HA 0.319 4.789 4.470 -0.001 0.000 0.218 352 S C 0.094 174.818 174.600 0.206 0.000 0.977 352 S CA -0.625 57.607 58.200 0.054 0.000 0.918 352 S CB -0.311 62.927 63.200 0.064 0.000 0.806 352 S HN 0.095 nan 8.310 nan 0.000 0.496 353 F N 3.221 123.125 119.950 -0.076 0.000 2.563 353 F HA 0.549 5.076 4.527 -0.001 0.000 0.363 353 F C 1.521 177.292 175.800 -0.049 0.000 1.123 353 F CA -1.025 56.935 58.000 -0.067 0.000 1.307 353 F CB -0.303 38.645 39.000 -0.086 0.000 1.115 353 F HN 0.199 nan 8.300 nan 0.000 0.592 354 G N 1.035 109.903 108.800 0.113 0.000 2.503 354 G HA2 0.463 4.423 3.960 -0.001 0.000 0.257 354 G HA3 0.463 4.423 3.960 -0.001 0.000 0.257 354 G C -0.414 174.521 174.900 0.057 0.000 1.214 354 G CA -0.353 44.779 45.100 0.053 0.000 0.839 354 G HN 0.914 nan 8.290 nan 0.000 0.559 355 A N 1.724 124.568 122.820 0.041 0.000 2.483 355 A HA 0.433 4.752 4.320 -0.001 0.000 0.238 355 A C 0.719 178.314 177.584 0.017 0.000 1.070 355 A CA 0.004 52.063 52.037 0.038 0.000 0.770 355 A CB 0.321 19.340 19.000 0.031 0.000 1.008 355 A HN 0.536 nan 8.150 nan 0.000 0.497 356 K N 0.912 121.322 120.400 0.017 0.000 2.090 356 K HA 0.201 4.520 4.320 -0.001 0.000 0.250 356 K C 0.023 176.613 176.600 -0.018 0.000 1.004 356 K CA -0.273 56.003 56.287 -0.018 0.000 0.919 356 K CB 0.695 33.186 32.500 -0.014 0.000 1.045 356 K HN 0.798 nan 8.250 nan 0.000 0.471 357 Q N 2.784 122.545 119.800 -0.065 0.000 2.406 357 Q HA 0.053 4.392 4.340 -0.001 0.000 0.242 357 Q C -0.267 175.753 176.000 0.033 0.000 1.036 357 Q CA -0.411 55.381 55.803 -0.018 0.000 0.904 357 Q CB 0.456 29.175 28.738 -0.032 0.000 1.244 357 Q HN 0.388 nan 8.270 nan 0.000 0.478 358 R N 3.018 123.588 120.500 0.116 0.000 2.641 358 R HA 0.129 4.469 4.340 -0.001 0.000 0.269 358 R C 0.015 176.524 176.300 0.349 0.000 1.074 358 R CA -0.541 55.693 56.100 0.223 0.000 1.133 358 R CB 0.353 30.722 30.300 0.115 0.000 1.029 358 R HN 0.557 nan 8.270 nan 0.000 0.488 359 H N 0.066 119.336 119.070 0.334 0.000 2.544 359 H HA 0.186 4.742 4.556 -0.001 0.000 0.365 359 H C -1.079 174.392 175.328 0.238 0.000 1.268 359 H CA -0.818 55.380 56.048 0.251 0.000 1.400 359 H CB 0.785 30.616 29.762 0.115 0.000 1.538 359 H HN 0.726 nan 8.280 nan 0.000 0.597 360 D N 0.875 121.302 120.400 0.044 0.000 2.280 360 D HA 0.188 4.828 4.640 -0.001 0.000 0.243 360 D C 0.832 177.055 176.300 -0.127 0.000 1.129 360 D CA -0.569 53.401 54.000 -0.050 0.000 0.848 360 D CB 0.130 40.940 40.800 0.017 0.000 1.107 360 D HN 0.626 nan 8.370 nan 0.000 0.471 361 I N 0.217 120.611 120.570 -0.293 0.000 3.947 361 I HA 0.346 4.515 4.170 -0.001 0.000 0.327 361 I C 0.901 176.892 176.117 -0.210 0.000 1.519 361 I CA -0.500 60.641 61.300 -0.264 0.000 1.122 361 I CB 0.568 38.290 38.000 -0.462 0.000 1.146 361 I HN 0.106 nan 8.210 nan 0.000 0.442 362 E N 2.468 122.571 120.200 -0.162 0.000 2.130 362 E HA -0.128 4.221 4.350 -0.001 0.000 0.196 362 E C -0.428 176.129 176.600 -0.072 0.000 0.998 362 E CA 1.583 57.913 56.400 -0.117 0.000 0.806 362 E CB -1.574 28.083 29.700 -0.072 0.000 0.738 362 E HN 0.485 nan 8.360 nan 0.000 0.459 363 P HA -0.142 nan 4.420 nan 0.000 0.215 363 P C 1.731 178.968 177.300 -0.105 0.000 1.153 363 P CA 0.779 63.919 63.100 0.066 0.000 0.853 363 P CB -0.059 31.800 31.700 0.265 0.000 0.788 364 L N -0.197 120.992 121.223 -0.056 0.000 2.017 364 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 364 L C 2.315 179.026 176.870 -0.266 0.000 1.073 364 L CA 1.826 56.528 54.840 -0.229 0.000 0.745 364 L CB -1.007 41.023 42.059 -0.048 0.000 0.894 364 L HN -0.235 nan 8.230 nan 0.000 0.432 365 R N -0.564 119.819 120.500 -0.195 0.000 2.105 365 R HA -0.129 4.211 4.340 -0.001 0.000 0.239 365 R C 2.229 178.453 176.300 -0.126 0.000 1.135 365 R CA 1.358 57.364 56.100 -0.157 0.000 0.967 365 R CB -0.576 29.633 30.300 -0.152 0.000 0.861 365 R HN 0.562 nan 8.270 nan 0.000 0.442 366 A N 0.581 123.318 122.820 -0.139 0.000 1.929 366 A HA -0.129 4.191 4.320 -0.001 0.000 0.216 366 A C 2.070 179.581 177.584 -0.122 0.000 1.176 366 A CA 1.139 53.115 52.037 -0.101 0.000 0.628 366 A CB -0.258 18.697 19.000 -0.076 0.000 0.816 366 A HN 0.090 nan 8.150 nan 0.000 0.444 367 R N 0.247 120.582 120.500 -0.274 0.000 2.075 367 R HA 0.021 4.361 4.340 -0.001 0.000 0.232 367 R C 1.723 177.979 176.300 -0.074 0.000 1.126 367 R CA 1.664 57.586 56.100 -0.296 0.000 0.963 367 R CB -0.735 29.047 30.300 -0.864 0.000 0.858 367 R HN 0.540 nan 8.270 nan 0.000 0.435 368 I N 0.167 120.675 120.570 -0.104 0.000 2.179 368 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 368 I C 2.245 178.472 176.117 0.182 0.000 1.088 368 I CA 1.446 62.806 61.300 0.100 0.000 1.357 368 I CB -0.377 37.630 38.000 0.011 0.000 1.051 368 I HN 0.292 nan 8.210 nan 0.000 0.409 369 A N 0.049 122.912 122.820 0.072 0.000 1.972 369 A HA -0.268 4.051 4.320 -0.001 0.000 0.219 369 A C 2.319 179.940 177.584 0.062 0.000 1.169 369 A CA 1.932 54.005 52.037 0.060 0.000 0.635 369 A CB -0.629 18.382 19.000 0.019 0.000 0.810 369 A HN 0.551 nan 8.150 nan 0.000 0.446 370 E N -1.404 118.839 120.200 0.070 0.000 2.106 370 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 370 E C 1.623 178.260 176.600 0.062 0.000 0.984 370 E CA 0.944 57.378 56.400 0.058 0.000 0.806 370 E CB -0.230 29.498 29.700 0.047 0.000 0.750 370 E HN 0.541 nan 8.360 nan 0.000 0.458 371 F N 1.093 120.981 119.950 -0.103 0.000 2.102 371 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 371 F C 2.246 177.941 175.800 -0.176 0.000 1.105 371 F CA 1.111 58.968 58.000 -0.239 0.000 1.239 371 F CB -0.335 38.427 39.000 -0.397 0.000 0.991 371 F HN 0.034 nan 8.300 nan 0.000 0.474 372 L N -0.833 120.373 121.223 -0.029 0.000 2.127 372 L HA -0.202 4.137 4.340 -0.001 0.000 0.211 372 L C 2.182 179.059 176.870 0.012 0.000 1.089 372 L CA 1.258 56.069 54.840 -0.049 0.000 0.757 372 L CB -0.735 41.325 42.059 0.002 0.000 0.899 372 L HN 0.124 nan 8.230 nan 0.000 0.434 373 A N -1.711 121.122 122.820 0.023 0.000 2.379 373 A HA 0.001 4.321 4.320 -0.001 0.000 0.236 373 A C 0.387 177.979 177.584 0.014 0.000 1.272 373 A CA -0.318 51.729 52.037 0.016 0.000 0.886 373 A CB -0.356 18.652 19.000 0.012 0.000 0.962 373 A HN 0.209 nan 8.150 nan 0.000 0.504 374 D N 1.663 122.081 120.400 0.031 0.000 2.455 374 D HA 0.024 4.664 4.640 -0.001 0.000 0.265 374 D C -1.480 174.836 176.300 0.027 0.000 1.284 374 D CA -1.073 52.949 54.000 0.037 0.000 0.944 374 D CB 0.979 41.855 40.800 0.128 0.000 1.121 374 D HN 0.232 nan 8.370 nan 0.000 0.525 375 P HA 0.075 nan 4.420 nan 0.000 0.261 375 P C 0.190 177.450 177.300 -0.066 0.000 1.268 375 P CA -0.105 62.979 63.100 -0.027 0.000 0.833 375 P CB 0.361 32.042 31.700 -0.032 0.000 1.231 376 E N 0.488 120.626 120.200 -0.104 0.000 2.398 376 E HA 0.142 4.492 4.350 -0.001 0.000 0.263 376 E C -0.375 176.046 176.600 -0.299 0.000 1.046 376 E CA 0.333 56.560 56.400 -0.288 0.000 0.908 376 E CB 0.523 29.892 29.700 -0.552 0.000 0.963 376 E HN -0.036 nan 8.360 nan 0.000 0.431 377 T N 3.625 117.988 114.554 -0.319 0.000 2.767 377 T HA 0.295 4.644 4.350 -0.001 0.000 0.284 377 T C -1.009 173.490 174.700 -0.334 0.000 0.973 377 T CA -0.298 61.680 62.100 -0.203 0.000 0.996 377 T CB 0.119 68.921 68.868 -0.110 0.000 0.927 377 T HN 0.232 nan 8.240 nan 0.000 0.456 378 Y N 0.639 120.907 120.300 -0.052 0.000 2.419 378 Y HA 0.491 5.040 4.550 -0.001 0.000 0.328 378 Y C 1.686 177.559 175.900 -0.045 0.000 1.162 378 Y CA -0.842 57.230 58.100 -0.047 0.000 1.174 378 Y CB 0.633 39.060 38.460 -0.056 0.000 1.228 378 Y HN 0.769 nan 8.280 nan 0.000 0.473 379 E N 0.950 121.215 120.200 0.108 0.000 2.274 379 E HA -0.077 4.272 4.350 -0.001 0.000 0.194 379 E C 0.568 177.191 176.600 0.039 0.000 0.996 379 E CA 1.627 58.055 56.400 0.046 0.000 0.840 379 E CB -0.597 29.120 29.700 0.029 0.000 0.772 379 E HN 0.872 nan 8.360 nan 0.000 0.491 380 D N -0.710 119.724 120.400 0.057 0.000 1.585 380 D HA 0.354 4.994 4.640 -0.001 0.000 0.318 380 D C 1.368 177.656 176.300 -0.020 0.000 1.129 380 D CA 1.372 55.373 54.000 0.001 0.000 0.954 380 D CB -0.209 40.570 40.800 -0.035 0.000 1.611 380 D HN 0.431 nan 8.370 nan 0.000 0.555 381 G N -1.143 107.619 108.800 -0.062 0.000 3.234 381 G HA2 0.541 4.501 3.960 -0.001 0.000 0.159 381 G HA3 0.541 4.501 3.960 -0.001 0.000 0.159 381 G C -0.523 174.330 174.900 -0.078 0.000 1.175 381 G CA -0.530 44.527 45.100 -0.072 0.000 0.900 381 G HN 0.104 nan 8.290 nan 0.000 0.621 382 M N 0.246 119.767 119.600 -0.131 0.000 2.197 382 M HA 0.443 4.922 4.480 -0.001 0.000 0.305 382 M C 0.178 176.285 176.300 -0.322 0.000 1.162 382 M CA -0.332 54.871 55.300 -0.161 0.000 1.099 382 M CB 0.900 33.409 32.600 -0.151 0.000 1.430 382 M HN 0.152 nan 8.290 nan 0.000 0.481 383 R N 0.370 120.618 120.500 -0.419 0.000 2.540 383 R HA 0.312 4.651 4.340 -0.001 0.000 0.287 383 R C 0.780 176.760 176.300 -0.533 0.000 0.980 383 R CA -0.393 55.361 56.100 -0.577 0.000 0.966 383 R CB 1.083 30.878 30.300 -0.842 0.000 1.106 383 R HN 0.551 nan 8.270 nan 0.000 0.480 384 V N 2.343 121.990 119.914 -0.445 0.000 2.407 384 V HA -0.263 3.856 4.120 -0.001 0.000 0.248 384 V C 1.957 177.977 176.094 -0.123 0.000 1.055 384 V CA 2.280 64.395 62.300 -0.308 0.000 1.049 384 V CB -0.885 30.659 31.823 -0.465 0.000 0.662 384 V HN 0.844 nan 8.190 nan 0.000 0.455 385 H N 0.050 119.145 119.070 0.043 0.000 2.421 385 H HA -0.155 4.400 4.556 -0.001 0.000 0.298 385 H C 2.123 177.370 175.328 -0.135 0.000 1.087 385 H CA 1.462 57.453 56.048 -0.095 0.000 1.330 385 H CB -0.521 29.092 29.762 -0.247 0.000 1.388 385 H HN 0.454 nan 8.280 nan 0.000 0.526 386 Q N 0.800 120.422 119.800 -0.297 0.000 2.123 386 Q HA -0.050 4.289 4.340 -0.001 0.000 0.199 386 Q C 2.491 178.435 176.000 -0.093 0.000 0.966 386 Q CA 1.292 57.002 55.803 -0.156 0.000 0.845 386 Q CB 0.105 28.738 28.738 -0.174 0.000 0.907 386 Q HN 0.389 nan 8.270 nan 0.000 0.439 387 V N 1.026 120.873 119.914 -0.111 0.000 2.295 387 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 387 V C 2.089 178.189 176.094 0.010 0.000 1.049 387 V CA 1.654 63.916 62.300 -0.063 0.000 1.024 387 V CB -0.392 31.376 31.823 -0.091 0.000 0.648 387 V HN 0.328 nan 8.190 nan 0.000 0.447 388 I N 0.219 120.820 120.570 0.053 0.000 2.353 388 I HA -0.207 3.963 4.170 -0.001 0.000 0.248 388 I C 2.293 178.474 176.117 0.107 0.000 1.119 388 I CA 1.748 63.125 61.300 0.128 0.000 1.417 388 I CB -0.393 37.738 38.000 0.218 0.000 1.078 388 I HN 0.364 nan 8.210 nan 0.000 0.421 389 D N 0.640 121.072 120.400 0.054 0.000 2.116 389 D HA -0.195 4.444 4.640 -0.001 0.000 0.193 389 D C 2.219 178.554 176.300 0.058 0.000 0.998 389 D CA 1.838 55.865 54.000 0.047 0.000 0.836 389 D CB 0.118 40.925 40.800 0.011 0.000 0.951 389 D HN 0.157 nan 8.370 nan 0.000 0.449 390 S N -0.683 115.043 115.700 0.043 0.000 2.382 390 S HA -0.156 4.313 4.470 -0.001 0.000 0.228 390 S C 2.061 176.718 174.600 0.095 0.000 1.027 390 S CA 1.024 59.252 58.200 0.047 0.000 0.991 390 S CB -0.267 62.941 63.200 0.013 0.000 0.823 390 S HN 0.350 nan 8.310 nan 0.000 0.469 391 M N 1.500 121.175 119.600 0.125 0.000 2.132 391 M HA -0.096 4.384 4.480 -0.001 0.000 0.263 391 M C 1.833 178.302 176.300 0.281 0.000 1.065 391 M CA 1.063 56.509 55.300 0.243 0.000 1.122 391 M CB -0.569 32.188 32.600 0.261 0.000 1.365 391 M HN 0.206 nan 8.290 nan 0.000 0.411 392 N N 0.078 118.886 118.700 0.181 0.000 2.084 392 N HA -0.121 4.618 4.740 -0.001 0.000 0.190 392 N C 1.683 177.259 175.510 0.110 0.000 1.030 392 N CA 1.880 55.009 53.050 0.132 0.000 0.849 392 N CB -0.933 37.618 38.487 0.107 0.000 1.012 392 N HN 0.290 nan 8.380 nan 0.000 0.423 393 T N 1.094 115.710 114.554 0.103 0.000 2.635 393 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 393 T C 2.089 176.850 174.700 0.102 0.000 1.040 393 T CA 1.317 63.466 62.100 0.083 0.000 1.156 393 T CB -0.369 68.538 68.868 0.066 0.000 0.863 393 T HN 0.005 nan 8.240 nan 0.000 0.430 394 V N 1.101 121.112 119.914 0.161 0.000 2.591 394 V HA -0.079 4.041 4.120 -0.001 0.000 0.249 394 V C 2.361 178.584 176.094 0.215 0.000 1.053 394 V CA 1.407 63.829 62.300 0.204 0.000 1.068 394 V CB -0.589 31.381 31.823 0.245 0.000 0.689 394 V HN 0.381 nan 8.190 nan 0.000 0.462 395 M N 0.853 120.560 119.600 0.178 0.000 2.108 395 M HA -0.193 4.287 4.480 -0.001 0.000 0.261 395 M C 2.020 178.279 176.300 -0.068 0.000 1.066 395 M CA 1.992 57.202 55.300 -0.149 0.000 1.107 395 M CB -0.723 31.722 32.600 -0.258 0.000 1.356 395 M HN 0.422 nan 8.290 nan 0.000 0.406 396 E N -0.426 119.776 120.200 0.003 0.000 2.110 396 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 396 E C 1.754 178.362 176.600 0.013 0.000 0.988 396 E CA 1.551 57.956 56.400 0.008 0.000 0.804 396 E CB -0.092 29.623 29.700 0.026 0.000 0.745 396 E HN 0.715 nan 8.360 nan 0.000 0.458 397 E N -0.180 120.038 120.200 0.031 0.000 2.106 397 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 397 E C 1.852 178.467 176.600 0.026 0.000 0.984 397 E CA 1.001 57.420 56.400 0.032 0.000 0.806 397 E CB -0.013 29.714 29.700 0.046 0.000 0.750 397 E HN 0.311 nan 8.360 nan 0.000 0.458 398 A N 1.016 123.853 122.820 0.028 0.000 2.030 398 A HA 0.337 4.657 4.320 -0.001 0.000 0.215 398 A C 1.262 178.841 177.584 -0.008 0.000 1.164 398 A CA 0.431 52.483 52.037 0.024 0.000 0.697 398 A CB 0.155 19.194 19.000 0.066 0.000 0.827 398 A HN 0.204 nan 8.150 nan 0.000 0.457 399 A N 0.814 123.613 122.820 -0.036 0.000 2.327 399 A HA 0.520 4.840 4.320 -0.001 0.000 0.283 399 A C -0.103 177.472 177.584 -0.015 0.000 1.127 399 A CA -0.554 51.459 52.037 -0.040 0.000 0.810 399 A CB 0.211 19.170 19.000 -0.069 0.000 1.066 399 A HN 0.303 nan 8.150 nan 0.000 0.492 400 E N 1.447 121.642 120.200 -0.008 0.000 2.418 400 E HA 0.154 4.503 4.350 -0.001 0.000 0.261 400 E C -2.252 174.349 176.600 0.001 0.000 1.070 400 E CA -1.532 54.868 56.400 -0.000 0.000 0.931 400 E CB -0.349 29.353 29.700 0.004 0.000 0.954 400 E HN 0.350 nan 8.360 nan 0.000 0.439 401 P HA 0.017 nan 4.420 nan 0.000 0.264 401 P C 0.607 177.914 177.300 0.012 0.000 1.183 401 P CA 0.945 64.052 63.100 0.010 0.000 0.763 401 P CB 0.370 32.077 31.700 0.012 0.000 0.807 402 G N 1.084 109.893 108.800 0.016 0.000 2.162 402 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.260 402 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.260 402 G C -0.005 174.905 174.900 0.017 0.000 0.976 402 G CA -0.044 45.067 45.100 0.019 0.000 0.655 402 G HN 0.577 nan 8.290 nan 0.000 0.533 403 E N -1.038 119.167 120.200 0.009 0.000 2.404 403 E HA 0.647 4.997 4.350 -0.001 0.000 0.264 403 E C 0.356 176.947 176.600 -0.015 0.000 0.946 403 E CA -0.536 55.866 56.400 0.004 0.000 0.806 403 E CB 1.993 31.693 29.700 0.000 0.000 1.334 403 E HN 1.563 nan 8.360 nan 0.000 0.429 404 G N 0.214 108.998 108.800 -0.027 0.000 2.712 404 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.686 404 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.686 404 G C -0.847 174.034 174.900 -0.033 0.000 1.181 404 G CA -0.641 44.415 45.100 -0.073 0.000 0.762 404 G HN 0.387 nan 8.290 nan 0.000 0.641 405 T N 1.457 115.980 114.554 -0.052 0.000 2.928 405 T HA 0.612 4.962 4.350 -0.001 0.000 0.296 405 T C 0.231 174.943 174.700 0.021 0.000 1.000 405 T CA -0.445 61.664 62.100 0.015 0.000 0.989 405 T CB 1.389 70.274 68.868 0.027 0.000 1.005 405 T HN 0.662 nan 8.240 nan 0.000 0.442 406 I N 3.130 123.766 120.570 0.109 0.000 2.321 406 I HA 0.439 4.608 4.170 -0.001 0.000 0.291 406 I C -0.258 175.928 176.117 0.115 0.000 0.998 406 I CA -0.916 60.504 61.300 0.200 0.000 1.227 406 I CB 1.415 39.619 38.000 0.340 0.000 1.368 406 I HN 0.281 nan 8.210 nan 0.000 0.466 407 V N 5.007 124.970 119.914 0.081 0.000 2.532 407 V HA 0.407 4.526 4.120 -0.001 0.000 0.295 407 V C 0.059 176.177 176.094 0.039 0.000 1.041 407 V CA -0.410 61.873 62.300 -0.030 0.000 0.926 407 V CB 1.788 33.615 31.823 0.006 0.000 0.992 407 V HN 0.748 nan 8.190 nan 0.000 0.457 408 S N 2.366 118.040 115.700 -0.044 0.000 2.532 408 S HA 0.354 4.823 4.470 -0.001 0.000 0.299 408 S C -0.432 174.315 174.600 0.245 0.000 1.105 408 S CA -0.670 57.630 58.200 0.166 0.000 1.018 408 S CB 1.278 64.559 63.200 0.136 0.000 1.021 408 S HN 0.901 nan 8.310 nan 0.000 0.483 409 D N 2.108 122.759 120.400 0.417 0.000 2.325 409 D HA 0.245 4.885 4.640 -0.001 0.000 0.262 409 D C -0.131 176.342 176.300 0.288 0.000 1.263 409 D CA -0.060 54.209 54.000 0.449 0.000 1.020 409 D CB 0.459 41.560 40.800 0.501 0.000 1.117 409 D HN 0.406 nan 8.370 nan 0.000 0.545 410 I N -0.669 120.071 120.570 0.283 0.000 2.493 410 I HA 0.610 4.779 4.170 -0.001 0.000 0.298 410 I C 0.962 177.127 176.117 0.079 0.000 0.998 410 I CA -0.330 60.977 61.300 0.012 0.000 1.137 410 I CB 0.577 38.626 38.000 0.081 0.000 1.310 410 I HN 0.616 nan 8.210 nan 0.000 0.445 411 G N 3.718 112.385 108.800 -0.222 0.000 2.356 411 G HA2 0.053 4.012 3.960 -0.001 0.000 0.288 411 G HA3 0.053 4.012 3.960 -0.001 0.000 0.288 411 G C -0.353 174.422 174.900 -0.210 0.000 1.302 411 G CA -0.640 44.446 45.100 -0.023 0.000 0.887 411 G HN 0.316 nan 8.290 nan 0.000 0.521 412 F N 0.948 120.805 119.950 -0.154 0.000 2.134 412 F HA 0.048 4.575 4.527 -0.001 0.000 0.299 412 F C 2.604 178.358 175.800 -0.075 0.000 1.097 412 F CA 2.265 60.143 58.000 -0.203 0.000 1.264 412 F CB -0.616 38.160 39.000 -0.373 0.000 1.001 412 F HN 0.461 nan 8.300 nan 0.000 0.479 413 F N 0.301 120.266 119.950 0.025 0.000 2.250 413 F HA -0.089 4.438 4.527 -0.001 0.000 0.301 413 F C 2.312 178.156 175.800 0.074 0.000 1.077 413 F CA 1.402 59.414 58.000 0.021 0.000 1.348 413 F CB -1.292 37.758 39.000 0.084 0.000 1.040 413 F HN -0.098 nan 8.300 nan 0.000 0.509 414 R N 0.697 120.450 120.500 -1.244 0.000 2.096 414 R HA -0.178 4.161 4.340 -0.001 0.000 0.235 414 R C 2.037 178.010 176.300 -0.546 0.000 1.127 414 R CA 1.984 57.542 56.100 -0.903 0.000 0.968 414 R CB -1.023 28.650 30.300 -1.044 0.000 0.861 414 R HN 0.448 nan 8.270 nan 0.000 0.440 415 H N -0.889 117.959 119.070 -0.369 0.000 2.462 415 H HA -0.092 4.463 4.556 -0.001 0.000 0.292 415 H C 1.694 176.854 175.328 -0.280 0.000 1.049 415 H CA 1.108 56.939 56.048 -0.362 0.000 1.334 415 H CB -0.211 29.293 29.762 -0.431 0.000 1.404 415 H HN 0.256 nan 8.280 nan 0.000 0.544 416 Y N 0.673 120.873 120.300 -0.165 0.000 2.200 416 Y HA -0.098 4.452 4.550 -0.001 0.000 0.290 416 Y C 2.869 178.777 175.900 0.013 0.000 1.137 416 Y CA 1.046 59.159 58.100 0.021 0.000 1.163 416 Y CB -0.714 37.920 38.460 0.290 0.000 0.988 416 Y HN 0.201 nan 8.280 nan 0.000 0.518 417 G N -0.301 108.593 108.800 0.157 0.000 2.469 417 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.219 417 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.219 417 G C 1.822 176.386 174.900 -0.560 0.000 1.150 417 G CA 1.541 46.635 45.100 -0.011 0.000 0.763 417 G HN 0.292 nan 8.290 nan 0.000 0.561 418 V N 0.811 120.456 119.914 -0.449 0.000 2.295 418 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 418 V C 2.909 178.747 176.094 -0.427 0.000 1.049 418 V CA 1.656 63.670 62.300 -0.476 0.000 1.024 418 V CB -0.418 31.224 31.823 -0.300 0.000 0.648 418 V HN 0.351 nan 8.190 nan 0.000 0.447 419 L N -1.853 119.076 121.223 -0.490 0.000 2.109 419 L HA -0.047 4.292 4.340 -0.001 0.000 0.207 419 L C 2.172 178.702 176.870 -0.567 0.000 1.086 419 L CA 1.483 55.917 54.840 -0.676 0.000 0.760 419 L CB -0.312 40.998 42.059 -1.247 0.000 0.910 419 L HN 0.291 nan 8.230 nan 0.000 0.437 420 F N -0.570 119.301 119.950 -0.131 0.000 2.680 420 F HA 0.335 4.861 4.527 -0.001 0.000 0.290 420 F C 1.424 177.185 175.800 -0.065 0.000 1.114 420 F CA -0.736 57.233 58.000 -0.051 0.000 1.333 420 F CB -0.509 38.529 39.000 0.063 0.000 1.091 420 F HN -0.209 nan 8.300 nan 0.000 0.606 421 A N 1.741 124.551 122.820 -0.017 0.000 2.477 421 A HA 0.257 4.576 4.320 -0.001 0.000 0.246 421 A C 0.697 178.256 177.584 -0.041 0.000 1.078 421 A CA -0.375 51.638 52.037 -0.039 0.000 0.770 421 A CB -0.039 18.864 19.000 -0.161 0.000 1.011 421 A HN 0.310 nan 8.150 nan 0.000 0.494 422 R N 1.870 122.409 120.500 0.065 0.000 2.489 422 R HA 0.391 4.730 4.340 -0.001 0.000 0.287 422 R C -0.382 175.975 176.300 0.094 0.000 1.053 422 R CA 0.635 56.776 56.100 0.068 0.000 1.036 422 R CB 0.263 30.607 30.300 0.074 0.000 0.966 422 R HN 0.823 nan 8.270 nan 0.000 0.432 423 A N 4.230 127.099 122.820 0.082 0.000 2.457 423 A HA 0.186 4.506 4.320 -0.001 0.000 0.283 423 A C -0.771 176.858 177.584 0.074 0.000 1.166 423 A CA -0.717 51.386 52.037 0.110 0.000 0.740 423 A CB 1.358 20.446 19.000 0.147 0.000 1.181 423 A HN 0.843 nan 8.150 nan 0.000 0.446 424 D N 1.497 121.934 120.400 0.061 0.000 2.368 424 D HA 0.153 4.793 4.640 -0.001 0.000 0.218 424 D C 0.500 176.823 176.300 0.038 0.000 1.112 424 D CA 0.739 54.766 54.000 0.046 0.000 0.834 424 D CB 0.239 41.060 40.800 0.034 0.000 0.953 424 D HN 0.762 nan 8.370 nan 0.000 0.505 425 Q N -1.681 118.145 119.800 0.042 0.000 2.575 425 Q HA 0.507 4.847 4.340 -0.001 0.000 0.290 425 Q C -3.007 172.997 176.000 0.007 0.000 0.963 425 Q CA -2.137 53.679 55.803 0.022 0.000 0.783 425 Q CB 1.192 29.946 28.738 0.027 0.000 1.467 425 Q HN -0.264 nan 8.270 nan 0.000 0.402 426 P HA 0.010 nan 4.420 nan 0.000 0.262 426 P C -0.814 176.420 177.300 -0.110 0.000 1.182 426 P CA 0.481 63.451 63.100 -0.217 0.000 0.761 426 P CB -0.095 31.388 31.700 -0.361 0.000 0.795 427 F N 0.945 120.939 119.950 0.074 0.000 3.084 427 F HA -0.184 4.342 4.527 -0.001 0.000 0.286 427 F C 1.659 177.504 175.800 0.074 0.000 0.855 427 F CA 1.141 59.184 58.000 0.072 0.000 1.091 427 F CB -2.638 36.388 39.000 0.044 0.000 1.177 427 F HN 0.486 nan 8.300 nan 0.000 0.542 428 G N -1.240 107.699 108.800 0.232 0.000 2.534 428 G HA2 0.056 4.016 3.960 -0.001 0.000 0.217 428 G HA3 0.056 4.016 3.960 -0.001 0.000 0.217 428 G C 0.155 175.206 174.900 0.252 0.000 1.128 428 G CA 0.604 45.816 45.100 0.186 0.000 0.784 428 G HN 0.353 nan 8.290 nan 0.000 0.542 429 F N 0.930 120.965 119.950 0.141 0.000 2.460 429 F HA 0.650 5.176 4.527 -0.001 0.000 0.341 429 F C -0.979 174.925 175.800 0.173 0.000 1.130 429 F CA -1.531 56.552 58.000 0.139 0.000 0.962 429 F CB 1.265 40.338 39.000 0.122 0.000 1.171 429 F HN -0.254 nan 8.300 nan 0.000 0.436 430 L N 6.105 127.061 121.223 -0.445 0.000 2.333 430 L HA 0.643 4.982 4.340 -0.001 0.000 0.280 430 L C -0.166 176.468 176.870 -0.393 0.000 1.004 430 L CA -0.405 54.276 54.840 -0.266 0.000 0.820 430 L CB 2.074 44.076 42.059 -0.094 0.000 1.247 430 L HN 0.719 nan 8.230 nan 0.000 0.416 431 T N 0.612 115.041 114.554 -0.210 0.000 2.762 431 T HA 0.252 4.601 4.350 -0.001 0.000 0.301 431 T C -1.199 173.325 174.700 -0.292 0.000 1.299 431 T CA -0.351 61.649 62.100 -0.167 0.000 1.005 431 T CB 2.076 70.787 68.868 -0.262 0.000 1.377 431 T HN 0.403 nan 8.240 nan 0.000 0.504 432 S N 1.147 116.399 115.700 -0.747 0.000 2.404 432 S HA 0.585 5.054 4.470 -0.001 0.000 0.309 432 S C 1.058 175.526 174.600 -0.220 0.000 1.076 432 S CA -0.004 57.793 58.200 -0.672 0.000 1.095 432 S CB 0.116 62.667 63.200 -1.082 0.000 0.972 432 S HN 0.801 nan 8.310 nan 0.000 0.484 433 A N 4.505 127.287 122.820 -0.063 0.000 1.935 433 A HA 0.277 4.596 4.320 -0.001 0.000 0.214 433 A C 1.905 179.464 177.584 -0.041 0.000 1.178 433 A CA 1.106 53.168 52.037 0.041 0.000 0.640 433 A CB -0.853 18.124 19.000 -0.039 0.000 0.825 433 A HN 0.849 nan 8.150 nan 0.000 0.447 434 G N -1.680 107.077 108.800 -0.073 0.000 2.437 434 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.212 434 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.212 434 G C 1.632 176.497 174.900 -0.058 0.000 1.174 434 G CA 1.124 46.179 45.100 -0.075 0.000 0.811 434 G HN 0.525 nan 8.290 nan 0.000 0.537 435 C N 0.131 119.399 119.300 -0.054 0.000 2.513 435 C HA 0.371 4.831 4.460 -0.001 0.000 0.292 435 C C 1.737 176.705 174.990 -0.038 0.000 1.359 435 C CA 1.143 60.142 59.018 -0.032 0.000 1.778 435 C CB -0.558 27.185 27.740 0.006 0.000 2.180 435 C HN 0.462 nan 8.230 nan 0.000 0.509 436 S N 1.592 117.245 115.700 -0.078 0.000 3.559 436 S HA -0.173 4.297 4.470 -0.001 0.000 0.369 436 S C 0.155 174.751 174.600 -0.007 0.000 0.987 436 S CA 0.725 58.880 58.200 -0.075 0.000 1.187 436 S CB -1.860 61.321 63.200 -0.032 0.000 0.914 436 S HN 0.897 nan 8.310 nan 0.000 0.480 437 S N 2.030 117.771 115.700 0.069 0.000 2.531 437 S HA 0.489 4.958 4.470 -0.001 0.000 0.279 437 S C 0.631 175.416 174.600 0.307 0.000 1.305 437 S CA -0.797 57.485 58.200 0.137 0.000 1.058 437 S CB -0.029 63.270 63.200 0.165 0.000 0.899 437 S HN 0.526 nan 8.310 nan 0.000 0.493 438 F N 3.517 123.492 119.950 0.041 0.000 2.539 438 F HA 0.531 5.058 4.527 -0.001 0.000 0.340 438 F C 1.300 177.170 175.800 0.117 0.000 1.185 438 F CA -0.943 57.118 58.000 0.103 0.000 1.333 438 F CB -1.164 37.894 39.000 0.096 0.000 1.152 438 F HN 0.856 nan 8.300 nan 0.000 0.602 439 G N 1.773 110.707 108.800 0.222 0.000 2.176 439 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.253 439 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.253 439 G C 0.712 175.858 174.900 0.410 0.000 0.979 439 G CA 0.403 45.601 45.100 0.164 0.000 0.641 439 G HN 1.052 nan 8.290 nan 0.000 0.530 440 Y N 1.641 122.143 120.300 0.336 0.000 2.256 440 Y HA 0.071 4.621 4.550 -0.001 0.000 0.288 440 Y C 2.510 178.434 175.900 0.040 0.000 1.155 440 Y CA 2.527 60.738 58.100 0.186 0.000 1.203 440 Y CB -0.472 38.092 38.460 0.172 0.000 0.980 440 Y HN 0.248 nan 8.280 nan 0.000 0.530 441 G N 0.763 109.657 108.800 0.156 0.000 2.514 441 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.217 441 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.217 441 G C 1.754 176.616 174.900 -0.063 0.000 1.198 441 G CA 1.500 46.644 45.100 0.073 0.000 0.780 441 G HN 0.490 nan 8.290 nan 0.000 0.565 442 I N 1.925 122.469 120.570 -0.042 0.000 2.127 442 I HA -0.133 4.037 4.170 -0.001 0.000 0.241 442 I C 0.095 176.108 176.117 -0.175 0.000 1.075 442 I CA 1.384 62.642 61.300 -0.071 0.000 1.334 442 I CB -0.781 37.167 38.000 -0.086 0.000 1.040 442 I HN 0.205 nan 8.210 nan 0.000 0.405 443 P HA -0.166 nan 4.420 nan 0.000 0.217 443 P C 1.312 178.342 177.300 -0.449 0.000 1.150 443 P CA 1.972 64.841 63.100 -0.385 0.000 0.832 443 P CB -0.062 31.321 31.700 -0.527 0.000 0.787 444 A N 0.351 122.832 122.820 -0.566 0.000 1.930 444 A HA 0.035 4.354 4.320 -0.001 0.000 0.217 444 A C 2.447 179.854 177.584 -0.295 0.000 1.175 444 A CA 1.833 53.526 52.037 -0.574 0.000 0.627 444 A CB -1.431 17.023 19.000 -0.910 0.000 0.815 444 A HN 0.214 nan 8.150 nan 0.000 0.443 445 A N -0.077 122.624 122.820 -0.198 0.000 1.930 445 A HA -0.024 4.295 4.320 -0.001 0.000 0.217 445 A C 2.088 179.626 177.584 -0.078 0.000 1.175 445 A CA 1.365 53.351 52.037 -0.085 0.000 0.627 445 A CB -0.537 18.454 19.000 -0.015 0.000 0.815 445 A HN 0.480 nan 8.150 nan 0.000 0.443 446 I N -0.349 120.151 120.570 -0.116 0.000 2.142 446 I HA -0.214 3.955 4.170 -0.001 0.000 0.240 446 I C 2.734 178.794 176.117 -0.095 0.000 1.078 446 I CA 1.298 62.546 61.300 -0.087 0.000 1.343 446 I CB -0.601 37.334 38.000 -0.110 0.000 1.046 446 I HN 0.394 nan 8.210 nan 0.000 0.405 447 G N 0.180 108.861 108.800 -0.198 0.000 2.422 447 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.218 447 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.218 447 G C 1.818 176.660 174.900 -0.097 0.000 1.146 447 G CA 0.817 45.804 45.100 -0.188 0.000 0.769 447 G HN 0.502 nan 8.290 nan 0.000 0.547 448 A N 0.046 122.807 122.820 -0.098 0.000 1.930 448 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 448 A C 2.294 179.871 177.584 -0.012 0.000 1.175 448 A CA 2.151 54.158 52.037 -0.050 0.000 0.627 448 A CB -0.347 18.625 19.000 -0.047 0.000 0.815 448 A HN 0.406 nan 8.150 nan 0.000 0.443 449 Q N -0.498 119.299 119.800 -0.006 0.000 2.123 449 Q HA 0.035 4.374 4.340 -0.001 0.000 0.199 449 Q C 1.918 177.933 176.000 0.024 0.000 0.966 449 Q CA 1.707 57.521 55.803 0.018 0.000 0.845 449 Q CB -0.395 28.360 28.738 0.029 0.000 0.907 449 Q HN 0.677 nan 8.270 nan 0.000 0.439 450 M N -0.920 118.697 119.600 0.028 0.000 2.296 450 M HA -0.033 4.446 4.480 -0.001 0.000 0.265 450 M C 1.952 178.275 176.300 0.039 0.000 1.064 450 M CA 1.290 56.617 55.300 0.046 0.000 1.109 450 M CB -0.119 32.535 32.600 0.090 0.000 1.396 450 M HN 0.301 nan 8.290 nan 0.000 0.430 451 A N 0.395 123.232 122.820 0.029 0.000 2.016 451 A HA 0.025 4.344 4.320 -0.001 0.000 0.217 451 A C 1.206 178.809 177.584 0.031 0.000 1.162 451 A CA 0.840 52.895 52.037 0.030 0.000 0.662 451 A CB -0.025 18.987 19.000 0.019 0.000 0.812 451 A HN 0.410 nan 8.150 nan 0.000 0.450 452 R N -0.404 120.113 120.500 0.028 0.000 2.748 452 R HA 0.212 4.551 4.340 -0.001 0.000 0.283 452 R C -2.246 174.069 176.300 0.025 0.000 1.507 452 R CA -1.502 54.615 56.100 0.028 0.000 1.666 452 R CB 1.024 31.341 30.300 0.029 0.000 1.237 452 R HN 0.237 nan 8.270 nan 0.000 0.633 453 P HA -0.136 nan 4.420 nan 0.000 0.220 453 P C -0.057 177.258 177.300 0.024 0.000 1.148 453 P CA 1.207 64.322 63.100 0.025 0.000 0.803 453 P CB 0.385 32.099 31.700 0.022 0.000 0.782 454 D N -0.927 119.486 120.400 0.021 0.000 2.402 454 D HA 0.104 4.744 4.640 -0.001 0.000 0.216 454 D C 0.575 176.884 176.300 0.016 0.000 1.128 454 D CA 0.219 54.231 54.000 0.019 0.000 0.833 454 D CB 0.499 41.309 40.800 0.017 0.000 0.971 454 D HN 0.359 nan 8.370 nan 0.000 0.503 455 Q N 0.924 120.733 119.800 0.015 0.000 2.301 455 Q HA 0.408 4.748 4.340 -0.001 0.000 0.267 455 Q C -2.569 173.432 176.000 0.002 0.000 1.035 455 Q CA -2.030 53.775 55.803 0.003 0.000 0.856 455 Q CB 2.061 30.800 28.738 0.001 0.000 1.337 455 Q HN -0.120 nan 8.270 nan 0.000 0.450 456 P HA 0.060 nan 4.420 nan 0.000 0.271 456 P C -1.063 176.201 177.300 -0.060 0.000 1.216 456 P CA -0.030 63.051 63.100 -0.032 0.000 0.771 456 P CB 0.636 32.245 31.700 -0.151 0.000 0.864 457 T N 3.888 118.489 114.554 0.079 0.000 2.847 457 T HA 0.523 4.872 4.350 -0.001 0.000 0.291 457 T C -0.714 174.206 174.700 0.366 0.000 0.998 457 T CA -0.166 62.006 62.100 0.119 0.000 0.967 457 T CB 0.084 69.009 68.868 0.095 0.000 0.954 457 T HN 0.054 nan 8.240 nan 0.000 0.441 458 F N 2.688 122.671 119.950 0.055 0.000 2.480 458 F HA 0.727 5.254 4.527 -0.001 0.000 0.329 458 F C -0.183 175.651 175.800 0.056 0.000 1.091 458 F CA -2.157 55.878 58.000 0.059 0.000 0.972 458 F CB 1.630 40.674 39.000 0.073 0.000 1.150 458 F HN 0.310 nan 8.300 nan 0.000 0.467 459 L N 4.820 126.167 121.223 0.208 0.000 2.362 459 L HA 0.666 5.006 4.340 -0.001 0.000 0.275 459 L C -1.279 175.639 176.870 0.080 0.000 0.998 459 L CA -0.537 54.383 54.840 0.133 0.000 0.820 459 L CB 1.558 43.674 42.059 0.095 0.000 1.270 459 L HN 0.582 nan 8.230 nan 0.000 0.415 460 I N 4.692 125.335 120.570 0.122 0.000 2.404 460 I HA 0.870 5.039 4.170 -0.001 0.000 0.293 460 I C -0.857 175.271 176.117 0.018 0.000 0.992 460 I CA -0.239 61.082 61.300 0.034 0.000 1.149 460 I CB 1.483 39.565 38.000 0.135 0.000 1.315 460 I HN 0.899 nan 8.210 nan 0.000 0.446 461 A N 4.821 127.453 122.820 -0.314 0.000 2.539 461 A HA 0.807 5.126 4.320 -0.001 0.000 0.296 461 A C -0.541 176.518 177.584 -0.874 0.000 1.073 461 A CA -0.388 51.410 52.037 -0.399 0.000 0.700 461 A CB 1.333 20.356 19.000 0.038 0.000 1.296 461 A HN 0.825 nan 8.150 nan 0.000 0.405 462 G N -0.236 108.043 108.800 -0.868 0.000 2.477 462 G HA2 0.436 4.396 3.960 -0.001 0.000 0.304 462 G HA3 0.436 4.396 3.960 -0.001 0.000 0.304 462 G C 0.471 175.260 174.900 -0.185 0.000 1.175 462 G CA 0.323 45.135 45.100 -0.479 0.000 0.907 462 G HN 0.815 nan 8.290 nan 0.000 0.509 463 D N 0.229 120.547 120.400 -0.137 0.000 2.149 463 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 463 D C 2.145 178.522 176.300 0.129 0.000 0.990 463 D CA 1.424 55.367 54.000 -0.095 0.000 0.839 463 D CB -0.791 40.083 40.800 0.122 0.000 0.948 463 D HN 0.470 nan 8.370 nan 0.000 0.460 464 G N 0.979 109.941 108.800 0.271 0.000 2.511 464 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 464 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 464 G C 1.800 176.785 174.900 0.142 0.000 1.218 464 G CA 1.387 46.699 45.100 0.354 0.000 0.788 464 G HN 0.485 nan 8.290 nan 0.000 0.560 465 G N -0.122 108.807 108.800 0.216 0.000 2.403 465 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.216 465 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.216 465 G C 1.643 176.491 174.900 -0.086 0.000 1.154 465 G CA 0.812 45.922 45.100 0.017 0.000 0.784 465 G HN 0.332 nan 8.290 nan 0.000 0.538 466 F N 0.940 120.830 119.950 -0.099 0.000 2.102 466 F HA -0.074 4.452 4.527 -0.001 0.000 0.298 466 F C 2.426 178.209 175.800 -0.028 0.000 1.105 466 F CA 1.848 59.776 58.000 -0.120 0.000 1.239 466 F CB -0.220 38.602 39.000 -0.297 0.000 0.991 466 F HN 0.242 nan 8.300 nan 0.000 0.474 467 H N -0.191 118.841 119.070 -0.063 0.000 2.495 467 H HA -0.015 4.540 4.556 -0.001 0.000 0.287 467 H C 2.447 177.594 175.328 -0.303 0.000 1.033 467 H CA 1.010 57.007 56.048 -0.085 0.000 1.307 467 H CB -0.443 29.362 29.762 0.071 0.000 1.401 467 H HN 0.353 nan 8.280 nan 0.000 0.555 468 S N -0.949 114.474 115.700 -0.462 0.000 2.442 468 S HA -0.138 4.332 4.470 -0.001 0.000 0.236 468 S C 1.361 175.650 174.600 -0.517 0.000 1.007 468 S CA 1.432 59.226 58.200 -0.677 0.000 0.965 468 S CB -0.023 62.290 63.200 -1.479 0.000 0.773 468 S HN 0.418 nan 8.310 nan 0.000 0.504 469 N N 0.127 118.567 118.700 -0.434 0.000 2.545 469 N HA 0.199 4.939 4.740 -0.001 0.000 0.283 469 N C 0.693 175.977 175.510 -0.376 0.000 1.596 469 N CA 0.545 53.402 53.050 -0.322 0.000 0.862 469 N CB 0.585 38.984 38.487 -0.146 0.000 1.422 469 N HN 0.341 nan 8.380 nan 0.000 0.489 470 S N -2.141 113.307 115.700 -0.420 0.000 2.522 470 S HA 0.021 4.490 4.470 -0.001 0.000 0.227 470 S C 1.569 176.049 174.600 -0.200 0.000 0.986 470 S CA 0.523 58.441 58.200 -0.470 0.000 0.929 470 S CB -0.035 63.073 63.200 -0.152 0.000 0.769 470 S HN 0.134 nan 8.310 nan 0.000 0.529 471 S N 1.991 117.605 115.700 -0.143 0.000 2.447 471 S HA -0.014 4.455 4.470 -0.001 0.000 0.233 471 S C 1.159 175.737 174.600 -0.037 0.000 1.006 471 S CA 0.753 58.917 58.200 -0.061 0.000 0.957 471 S CB -0.334 62.838 63.200 -0.047 0.000 0.773 471 S HN 0.542 nan 8.310 nan 0.000 0.507 472 D N 1.233 121.596 120.400 -0.061 0.000 2.352 472 D HA 0.109 4.748 4.640 -0.001 0.000 0.232 472 D C 1.483 177.771 176.300 -0.020 0.000 1.055 472 D CA 0.077 54.058 54.000 -0.031 0.000 0.891 472 D CB -0.012 40.764 40.800 -0.040 0.000 0.897 472 D HN 0.348 nan 8.370 nan 0.000 0.529 473 L N 0.735 121.950 121.223 -0.013 0.000 2.043 473 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 473 L C 2.550 179.442 176.870 0.037 0.000 1.075 473 L CA 1.180 56.045 54.840 0.042 0.000 0.752 473 L CB -0.237 41.873 42.059 0.086 0.000 0.891 473 L HN 0.022 nan 8.230 nan 0.000 0.432 474 E N -0.211 120.005 120.200 0.027 0.000 2.110 474 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 474 E C 1.962 178.579 176.600 0.029 0.000 0.988 474 E CA 1.895 58.312 56.400 0.028 0.000 0.804 474 E CB 0.022 29.737 29.700 0.026 0.000 0.745 474 E HN 0.454 nan 8.360 nan 0.000 0.458 475 T N 1.474 116.043 114.554 0.025 0.000 2.746 475 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 475 T C 2.065 176.782 174.700 0.028 0.000 1.039 475 T CA 1.224 63.340 62.100 0.026 0.000 1.142 475 T CB -0.170 68.711 68.868 0.022 0.000 0.866 475 T HN 0.184 nan 8.240 nan 0.000 0.444 476 I N 1.250 121.837 120.570 0.028 0.000 2.208 476 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 476 I C 2.887 179.028 176.117 0.040 0.000 1.097 476 I CA 1.192 62.513 61.300 0.035 0.000 1.363 476 I CB -0.442 37.584 38.000 0.045 0.000 1.051 476 I HN 0.213 nan 8.210 nan 0.000 0.413 477 A N 0.681 123.525 122.820 0.040 0.000 1.873 477 A HA -0.243 4.076 4.320 -0.001 0.000 0.215 477 A C 2.418 180.022 177.584 0.033 0.000 1.186 477 A CA 1.789 53.849 52.037 0.039 0.000 0.616 477 A CB -0.625 18.398 19.000 0.037 0.000 0.823 477 A HN 0.361 nan 8.150 nan 0.000 0.442 478 R N -0.293 120.225 120.500 0.030 0.000 2.081 478 R HA -0.015 4.324 4.340 -0.001 0.000 0.235 478 R C 1.641 177.955 176.300 0.023 0.000 1.131 478 R CA 1.534 57.650 56.100 0.026 0.000 0.960 478 R CB -0.358 29.958 30.300 0.026 0.000 0.856 478 R HN 0.496 nan 8.270 nan 0.000 0.436 479 L N 0.604 121.841 121.223 0.025 0.000 2.492 479 L HA 0.026 4.365 4.340 -0.001 0.000 0.223 479 L C 0.426 177.311 176.870 0.025 0.000 1.132 479 L CA 0.125 54.979 54.840 0.022 0.000 0.850 479 L CB -0.378 41.697 42.059 0.026 0.000 0.966 479 L HN 0.357 nan 8.230 nan 0.000 0.454 480 N N 0.953 119.671 118.700 0.030 0.000 2.725 480 N HA -0.207 4.532 4.740 -0.001 0.000 0.251 480 N C -0.569 174.964 175.510 0.038 0.000 1.031 480 N CA 0.459 53.530 53.050 0.034 0.000 0.720 480 N CB -1.289 37.215 38.487 0.029 0.000 0.930 480 N HN 0.250 nan 8.380 nan 0.000 0.543 481 L N 0.762 122.010 121.223 0.042 0.000 2.278 481 L HA 0.323 4.663 4.340 -0.001 0.000 0.287 481 L C -1.209 175.697 176.870 0.060 0.000 1.072 481 L CA -1.613 53.255 54.840 0.046 0.000 0.819 481 L CB 0.891 42.976 42.059 0.042 0.000 1.176 481 L HN 0.063 nan 8.230 nan 0.000 0.435 482 P HA 0.047 nan 4.420 nan 0.000 0.261 482 P C 0.111 177.477 177.300 0.109 0.000 1.650 482 P CA 0.059 63.207 63.100 0.081 0.000 0.846 482 P CB -0.366 31.376 31.700 0.070 0.000 1.758 483 I N 0.043 120.676 120.570 0.105 0.000 2.648 483 I HA -0.013 4.157 4.170 -0.001 0.000 0.284 483 I C 0.742 176.934 176.117 0.125 0.000 1.153 483 I CA -0.050 61.326 61.300 0.126 0.000 1.426 483 I CB 0.774 38.830 38.000 0.093 0.000 1.381 483 I HN -0.150 nan 8.210 nan 0.000 0.571 484 V N 5.765 125.757 119.914 0.130 0.000 2.350 484 V HA 0.289 4.408 4.120 -0.001 0.000 0.276 484 V C 0.148 176.205 176.094 -0.062 0.000 1.028 484 V CA -0.415 61.885 62.300 -0.000 0.000 0.860 484 V CB 1.224 32.893 31.823 -0.257 0.000 0.990 484 V HN 0.740 nan 8.190 nan 0.000 0.453 485 T N 4.728 119.230 114.554 -0.087 0.000 2.794 485 T HA 0.554 4.903 4.350 -0.001 0.000 0.280 485 T C -0.306 174.244 174.700 -0.249 0.000 0.987 485 T CA -0.356 61.659 62.100 -0.142 0.000 0.993 485 T CB 1.646 70.426 68.868 -0.146 0.000 0.939 485 T HN 0.331 nan 8.240 nan 0.000 0.449 486 V N 4.158 123.920 119.914 -0.252 0.000 2.357 486 V HA 0.371 4.491 4.120 -0.001 0.000 0.284 486 V C -0.125 175.717 176.094 -0.420 0.000 1.018 486 V CA -0.773 61.350 62.300 -0.296 0.000 0.841 486 V CB 1.613 33.314 31.823 -0.202 0.000 0.991 486 V HN 0.699 nan 8.190 nan 0.000 0.437 487 V N 6.195 125.780 119.914 -0.548 0.000 2.333 487 V HA 0.287 4.406 4.120 -0.001 0.000 0.274 487 V C 0.123 175.901 176.094 -0.527 0.000 1.028 487 V CA -0.603 61.268 62.300 -0.715 0.000 0.851 487 V CB 1.682 32.848 31.823 -1.094 0.000 1.000 487 V HN 0.733 nan 8.190 nan 0.000 0.456 488 V N 2.522 122.141 119.914 -0.492 0.000 2.408 488 V HA 0.571 4.691 4.120 -0.001 0.000 0.267 488 V C -0.037 175.879 176.094 -0.296 0.000 1.047 488 V CA -0.346 61.736 62.300 -0.363 0.000 0.937 488 V CB 1.136 32.762 31.823 -0.328 0.000 0.999 488 V HN 0.762 nan 8.190 nan 0.000 0.472 489 N N 4.712 123.285 118.700 -0.212 0.000 2.443 489 N HA 0.393 5.133 4.740 -0.001 0.000 0.269 489 N C 0.035 175.519 175.510 -0.044 0.000 0.985 489 N CA -0.481 52.512 53.050 -0.094 0.000 0.921 489 N CB 1.632 40.102 38.487 -0.027 0.000 1.195 489 N HN 0.892 nan 8.380 nan 0.000 0.492 490 N N 2.308 121.030 118.700 0.036 0.000 2.238 490 N HA 0.071 4.810 4.740 -0.001 0.000 0.235 490 N C -1.039 174.549 175.510 0.131 0.000 1.209 490 N CA -0.172 52.902 53.050 0.041 0.000 0.879 490 N CB 0.040 38.528 38.487 0.001 0.000 1.136 490 N HN 0.461 nan 8.380 nan 0.000 0.517 491 D N 0.075 120.596 120.400 0.202 0.000 2.751 491 D HA -0.137 4.502 4.640 -0.001 0.000 0.233 491 D C -0.916 175.577 176.300 0.321 0.000 1.149 491 D CA 1.209 55.384 54.000 0.292 0.000 0.682 491 D CB -1.638 39.269 40.800 0.179 0.000 1.068 491 D HN 0.449 nan 8.370 nan 0.000 0.429 492 T N 0.126 114.894 114.554 0.357 0.000 2.932 492 T HA 0.201 4.550 4.350 -0.001 0.000 0.318 492 T C -0.110 174.762 174.700 0.288 0.000 1.265 492 T CA -0.831 61.369 62.100 0.166 0.000 1.036 492 T CB 1.467 70.432 68.868 0.162 0.000 1.209 492 T HN -0.164 nan 8.240 nan 0.000 0.484 493 N N 1.842 120.606 118.700 0.107 0.000 2.819 493 N HA 0.202 4.941 4.740 -0.001 0.000 0.284 493 N C 1.446 177.060 175.510 0.173 0.000 1.196 493 N CA -0.029 53.152 53.050 0.219 0.000 1.114 493 N CB 0.630 39.201 38.487 0.140 0.000 1.437 493 N HN 0.882 nan 8.380 nan 0.000 0.518 494 G N 1.544 110.505 108.800 0.268 0.000 2.418 494 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 494 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 494 G C 1.458 176.363 174.900 0.008 0.000 1.158 494 G CA 0.055 45.316 45.100 0.269 0.000 0.771 494 G HN 0.490 nan 8.290 nan 0.000 0.545 495 L N 0.343 121.564 121.223 -0.004 0.000 2.051 495 L HA -0.157 4.183 4.340 -0.001 0.000 0.214 495 L C 2.659 179.479 176.870 -0.084 0.000 1.076 495 L CA 1.459 56.231 54.840 -0.113 0.000 0.758 495 L CB -0.246 41.861 42.059 0.080 0.000 0.890 495 L HN 0.145 nan 8.230 nan 0.000 0.433 496 I N -0.416 120.157 120.570 0.006 0.000 2.406 496 I HA -0.228 3.941 4.170 -0.001 0.000 0.249 496 I C 2.413 178.497 176.117 -0.055 0.000 1.122 496 I CA 1.050 62.359 61.300 0.014 0.000 1.431 496 I CB -1.326 36.674 38.000 0.001 0.000 1.087 496 I HN 0.369 nan 8.210 nan 0.000 0.424 497 E N 1.257 121.421 120.200 -0.061 0.000 2.110 497 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 497 E C 2.389 178.831 176.600 -0.264 0.000 0.988 497 E CA 0.840 57.215 56.400 -0.043 0.000 0.804 497 E CB 0.040 29.836 29.700 0.160 0.000 0.745 497 E HN 0.394 nan 8.360 nan 0.000 0.458 498 L N 0.051 120.852 121.223 -0.703 0.000 2.017 498 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 498 L C 1.973 178.399 176.870 -0.740 0.000 1.073 498 L CA 1.682 55.761 54.840 -1.268 0.000 0.745 498 L CB -0.436 40.553 42.059 -1.785 0.000 0.894 498 L HN 0.286 nan 8.230 nan 0.000 0.432 499 Y N 0.707 120.730 120.300 -0.462 0.000 2.274 499 Y HA -0.252 4.297 4.550 -0.001 0.000 0.290 499 Y C 2.866 178.621 175.900 -0.242 0.000 1.145 499 Y CA 1.459 59.375 58.100 -0.305 0.000 1.203 499 Y CB -0.343 37.984 38.460 -0.221 0.000 0.984 499 Y HN 0.351 nan 8.280 nan 0.000 0.533 500 Q N -0.237 119.501 119.800 -0.103 0.000 2.096 500 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 500 Q C 1.893 177.823 176.000 -0.117 0.000 0.982 500 Q CA 1.440 57.146 55.803 -0.162 0.000 0.850 500 Q CB -0.267 28.390 28.738 -0.135 0.000 0.901 500 Q HN 0.546 nan 8.270 nan 0.000 0.422 501 N N 0.448 119.068 118.700 -0.134 0.000 2.270 501 N HA -0.062 4.678 4.740 -0.001 0.000 0.181 501 N C 1.869 177.248 175.510 -0.217 0.000 1.016 501 N CA 0.837 53.823 53.050 -0.106 0.000 0.870 501 N CB 0.032 38.492 38.487 -0.044 0.000 0.979 501 N HN 0.249 nan 8.380 nan 0.000 0.431 502 I N 0.616 121.036 120.570 -0.250 0.000 2.226 502 I HA -0.159 4.010 4.170 -0.001 0.000 0.245 502 I C 2.440 178.407 176.117 -0.250 0.000 1.100 502 I CA 1.279 62.430 61.300 -0.248 0.000 1.374 502 I CB -0.412 37.443 38.000 -0.241 0.000 1.057 502 I HN 0.124 nan 8.210 nan 0.000 0.413 503 G N -0.952 107.801 108.800 -0.077 0.000 2.426 503 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.214 503 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.214 503 G C 1.107 176.039 174.900 0.053 0.000 1.156 503 G CA 0.502 45.644 45.100 0.070 0.000 0.802 503 G HN 0.404 nan 8.290 nan 0.000 0.534 504 H N -1.603 117.353 119.070 -0.190 0.000 3.360 504 H HA 0.243 4.798 4.556 -0.001 0.000 0.262 504 H C 0.498 175.837 175.328 0.020 0.000 1.149 504 H CA -0.650 55.361 56.048 -0.061 0.000 1.181 504 H CB 0.159 29.907 29.762 -0.023 0.000 1.564 504 H HN 0.357 nan 8.280 nan 0.000 0.565 505 H N 0.373 119.521 119.070 0.129 0.000 2.861 505 H HA -0.183 4.372 4.556 -0.001 0.000 0.289 505 H C 0.213 175.597 175.328 0.094 0.000 1.176 505 H CA 1.362 57.463 56.048 0.088 0.000 1.146 505 H CB -1.130 28.670 29.762 0.063 0.000 1.330 505 H HN 0.589 nan 8.280 nan 0.000 0.379 506 R N -1.767 118.827 120.500 0.158 0.000 2.741 506 R HA 0.632 4.971 4.340 -0.001 0.000 0.274 506 R C -1.171 175.181 176.300 0.087 0.000 1.029 506 R CA -0.710 55.466 56.100 0.127 0.000 0.880 506 R CB 1.026 31.403 30.300 0.129 0.000 1.264 506 R HN -0.028 nan 8.270 nan 0.000 0.465 507 S N -0.446 115.306 115.700 0.087 0.000 2.713 507 S HA 0.387 4.856 4.470 -0.001 0.000 0.283 507 S C -1.053 173.612 174.600 0.108 0.000 1.161 507 S CA -0.548 57.695 58.200 0.071 0.000 0.999 507 S CB 0.811 64.054 63.200 0.071 0.000 1.039 507 S HN 0.647 nan 8.310 nan 0.000 0.548 508 H N 0.317 119.368 119.070 -0.032 0.000 3.177 508 H HA 0.326 4.881 4.556 -0.001 0.000 0.314 508 H C -0.247 175.058 175.328 -0.037 0.000 1.059 508 H CA -0.513 55.517 56.048 -0.031 0.000 1.515 508 H CB 0.295 30.028 29.762 -0.048 0.000 1.672 508 H HN 0.447 nan 8.280 nan 0.000 0.514 509 D N 4.679 124.916 120.400 -0.272 0.000 2.133 509 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 509 D C -0.788 175.378 176.300 -0.223 0.000 0.997 509 D CA 1.036 54.913 54.000 -0.205 0.000 0.840 509 D CB -0.894 39.808 40.800 -0.165 0.000 0.947 509 D HN 0.542 nan 8.370 nan 0.000 0.452 510 P HA -0.043 nan 4.420 nan 0.000 0.221 510 P C 0.823 178.093 177.300 -0.049 0.000 1.145 510 P CA 1.358 64.363 63.100 -0.158 0.000 0.795 510 P CB 0.014 31.625 31.700 -0.148 0.000 0.775 511 A N -1.077 121.742 122.820 -0.001 0.000 2.178 511 A HA 0.099 4.419 4.320 -0.001 0.000 0.211 511 A C 1.698 179.237 177.584 -0.076 0.000 1.157 511 A CA 1.258 53.298 52.037 0.005 0.000 0.780 511 A CB -0.571 18.462 19.000 0.055 0.000 0.828 511 A HN 0.205 nan 8.150 nan 0.000 0.476 512 V N -5.982 113.845 119.914 -0.144 0.000 3.359 512 V HA 0.341 4.460 4.120 -0.001 0.000 0.270 512 V C -0.095 175.737 176.094 -0.436 0.000 1.583 512 V CA -0.390 61.775 62.300 -0.225 0.000 1.019 512 V CB -0.108 31.655 31.823 -0.100 0.000 0.831 512 V HN 0.052 nan 8.190 nan 0.000 0.426 513 K N 1.492 121.672 120.400 -0.368 0.000 2.156 513 K HA 0.661 4.980 4.320 -0.001 0.000 0.271 513 K C -1.231 175.144 176.600 -0.376 0.000 0.995 513 K CA -0.278 55.811 56.287 -0.330 0.000 0.890 513 K CB 1.770 34.191 32.500 -0.132 0.000 1.073 513 K HN 0.280 nan 8.250 nan 0.000 0.454 514 F N -0.619 119.375 119.950 0.073 0.000 2.557 514 F HA 0.474 5.001 4.527 -0.001 0.000 0.336 514 F C 1.408 177.235 175.800 0.045 0.000 1.058 514 F CA -0.800 57.242 58.000 0.070 0.000 0.988 514 F CB 0.704 39.766 39.000 0.103 0.000 1.275 514 F HN 0.566 nan 8.300 nan 0.000 0.488 515 G N -0.505 108.444 108.800 0.249 0.000 2.588 515 G HA2 0.446 4.405 3.960 -0.001 0.000 0.278 515 G HA3 0.446 4.405 3.960 -0.001 0.000 0.278 515 G C -0.085 174.874 174.900 0.099 0.000 1.307 515 G CA -0.459 44.718 45.100 0.128 0.000 1.016 515 G HN 0.889 nan 8.290 nan 0.000 0.503 516 G N -1.736 107.082 108.800 0.030 0.000 2.406 516 G HA2 0.449 4.409 3.960 -0.001 0.000 0.251 516 G HA3 0.449 4.409 3.960 -0.001 0.000 0.251 516 G C -0.703 174.128 174.900 -0.114 0.000 1.271 516 G CA -0.103 44.985 45.100 -0.020 0.000 0.859 516 G HN 0.591 nan 8.290 nan 0.000 0.540 517 V N 2.734 122.512 119.914 -0.226 0.000 2.540 517 V HA 0.251 4.370 4.120 -0.001 0.000 0.302 517 V C -0.724 175.040 176.094 -0.549 0.000 1.035 517 V CA -0.920 61.065 62.300 -0.525 0.000 0.873 517 V CB 2.037 33.243 31.823 -1.029 0.000 0.992 517 V HN 0.756 nan 8.190 nan 0.000 0.428 518 D N 3.246 123.371 120.400 -0.458 0.000 2.441 518 D HA 0.273 4.913 4.640 -0.001 0.000 0.221 518 D C 0.572 176.645 176.300 -0.378 0.000 1.156 518 D CA -0.208 53.609 54.000 -0.304 0.000 0.896 518 D CB 0.679 41.368 40.800 -0.184 0.000 1.028 518 D HN 0.375 nan 8.370 nan 0.000 0.509 519 F N 1.985 121.835 119.950 -0.166 0.000 2.293 519 F HA -0.133 4.393 4.527 -0.001 0.000 0.300 519 F C 2.325 178.030 175.800 -0.158 0.000 1.086 519 F CA 0.249 58.147 58.000 -0.171 0.000 1.375 519 F CB -0.151 38.707 39.000 -0.237 0.000 1.045 519 F HN 0.274 nan 8.300 nan 0.000 0.516 520 V N -0.043 119.856 119.914 -0.025 0.000 2.270 520 V HA -0.296 3.824 4.120 -0.001 0.000 0.245 520 V C 2.603 178.652 176.094 -0.075 0.000 1.043 520 V CA 1.899 64.148 62.300 -0.084 0.000 1.014 520 V CB -1.258 30.508 31.823 -0.094 0.000 0.645 520 V HN 0.338 nan 8.190 nan 0.000 0.447 521 A N -0.553 122.220 122.820 -0.078 0.000 1.933 521 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 521 A C 2.164 179.712 177.584 -0.058 0.000 1.175 521 A CA 2.037 54.033 52.037 -0.069 0.000 0.628 521 A CB -0.560 18.392 19.000 -0.079 0.000 0.814 521 A HN 0.458 nan 8.150 nan 0.000 0.444 522 L N -0.350 120.829 121.223 -0.073 0.000 2.017 522 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 522 L C 2.784 179.672 176.870 0.029 0.000 1.073 522 L CA 2.073 56.894 54.840 -0.032 0.000 0.745 522 L CB -0.576 41.454 42.059 -0.049 0.000 0.894 522 L HN 0.348 nan 8.230 nan 0.000 0.432 523 A N -0.960 121.884 122.820 0.040 0.000 1.908 523 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 523 A C 2.218 179.805 177.584 0.006 0.000 1.181 523 A CA 2.047 54.105 52.037 0.035 0.000 0.627 523 A CB -0.676 18.311 19.000 -0.022 0.000 0.818 523 A HN 0.588 nan 8.150 nan 0.000 0.445 524 E N -0.598 119.592 120.200 -0.017 0.000 2.152 524 E HA 0.000 4.349 4.350 -0.001 0.000 0.192 524 E C 2.172 178.771 176.600 -0.001 0.000 0.983 524 E CA 0.695 57.088 56.400 -0.012 0.000 0.818 524 E CB -0.219 29.468 29.700 -0.023 0.000 0.758 524 E HN 0.621 nan 8.360 nan 0.000 0.467 525 A N 1.184 124.003 122.820 -0.002 0.000 2.070 525 A HA -0.151 4.168 4.320 -0.001 0.000 0.220 525 A C 1.692 179.284 177.584 0.012 0.000 1.159 525 A CA 1.103 53.141 52.037 0.002 0.000 0.656 525 A CB -0.209 18.790 19.000 -0.003 0.000 0.800 525 A HN 0.171 nan 8.150 nan 0.000 0.453 526 N N -1.093 117.620 118.700 0.021 0.000 2.336 526 N HA 0.135 4.875 4.740 -0.001 0.000 0.189 526 N C 0.906 176.433 175.510 0.027 0.000 1.113 526 N CA 0.821 53.887 53.050 0.027 0.000 0.858 526 N CB 0.471 38.981 38.487 0.040 0.000 0.970 526 N HN 0.598 nan 8.380 nan 0.000 0.471 527 G N 0.748 109.562 108.800 0.023 0.000 2.132 527 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.228 527 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.228 527 G C -0.314 174.606 174.900 0.034 0.000 1.000 527 G CA -0.208 44.908 45.100 0.026 0.000 0.693 527 G HN 0.140 nan 8.290 nan 0.000 0.515 528 V N 1.380 121.311 119.914 0.029 0.000 2.378 528 V HA 0.405 4.524 4.120 -0.001 0.000 0.288 528 V C 0.004 176.101 176.094 0.005 0.000 1.016 528 V CA -1.221 61.097 62.300 0.031 0.000 0.840 528 V CB 1.613 33.451 31.823 0.026 0.000 0.994 528 V HN 0.269 nan 8.190 nan 0.000 0.431 529 D N 3.511 123.945 120.400 0.056 0.000 2.400 529 D HA 0.601 5.240 4.640 -0.001 0.000 0.238 529 D C 0.216 176.391 176.300 -0.209 0.000 1.157 529 D CA 0.527 54.564 54.000 0.062 0.000 0.889 529 D CB 1.599 42.561 40.800 0.269 0.000 1.199 529 D HN 0.848 nan 8.370 nan 0.000 0.436 530 A N 0.451 123.091 122.820 -0.300 0.000 2.601 530 A HA 0.689 5.008 4.320 -0.001 0.000 0.291 530 A C -0.702 176.661 177.584 -0.369 0.000 1.075 530 A CA -0.586 51.069 52.037 -0.636 0.000 0.671 530 A CB 2.195 20.970 19.000 -0.374 0.000 1.277 530 A HN 0.442 nan 8.150 nan 0.000 0.417 531 T N -0.630 113.695 114.554 -0.381 0.000 2.802 531 T HA 0.585 4.934 4.350 -0.001 0.000 0.311 531 T C -1.117 173.504 174.700 -0.131 0.000 1.405 531 T CA -0.522 61.498 62.100 -0.134 0.000 1.016 531 T CB 1.382 70.278 68.868 0.047 0.000 1.352 531 T HN 0.948 nan 8.240 nan 0.000 0.498 532 R N 1.264 121.719 120.500 -0.075 0.000 2.486 532 R HA 0.816 5.155 4.340 -0.001 0.000 0.286 532 R C -1.160 175.108 176.300 -0.053 0.000 0.999 532 R CA -0.413 55.644 56.100 -0.072 0.000 0.993 532 R CB 1.055 31.321 30.300 -0.056 0.000 1.084 532 R HN 0.717 nan 8.270 nan 0.000 0.487 533 A N 1.722 124.504 122.820 -0.063 0.000 2.437 533 A HA 0.336 4.655 4.320 -0.001 0.000 0.293 533 A C -0.123 177.425 177.584 -0.061 0.000 1.038 533 A CA -0.555 51.451 52.037 -0.051 0.000 0.708 533 A CB 1.680 20.651 19.000 -0.049 0.000 1.251 533 A HN 0.861 nan 8.150 nan 0.000 0.409 534 T N -1.622 112.903 114.554 -0.048 0.000 3.043 534 T HA 0.353 4.703 4.350 -0.001 0.000 0.272 534 T C 0.136 174.811 174.700 -0.041 0.000 0.990 534 T CA 0.445 62.516 62.100 -0.049 0.000 0.897 534 T CB -0.657 68.188 68.868 -0.039 0.000 1.111 534 T HN 1.114 nan 8.240 nan 0.000 0.529 535 N N -0.286 118.391 118.700 -0.038 0.000 3.020 535 N HA 0.389 5.128 4.740 -0.001 0.000 0.248 535 N C 0.321 175.812 175.510 -0.031 0.000 1.480 535 N CA -1.108 51.924 53.050 -0.031 0.000 0.874 535 N CB 0.920 39.393 38.487 -0.023 0.000 1.433 535 N HN -0.153 nan 8.380 nan 0.000 0.530 536 R N -0.218 120.266 120.500 -0.026 0.000 2.091 536 R HA -0.115 4.224 4.340 -0.001 0.000 0.238 536 R C 1.403 177.692 176.300 -0.018 0.000 1.136 536 R CA 1.807 57.894 56.100 -0.023 0.000 0.959 536 R CB -0.196 30.094 30.300 -0.017 0.000 0.856 536 R HN 0.779 nan 8.270 nan 0.000 0.437 537 E N 0.942 121.133 120.200 -0.016 0.000 2.051 537 E HA -0.212 4.137 4.350 -0.001 0.000 0.192 537 E C 1.634 178.227 176.600 -0.013 0.000 0.991 537 E CA 1.288 57.680 56.400 -0.013 0.000 0.799 537 E CB 0.165 29.857 29.700 -0.013 0.000 0.748 537 E HN 0.362 nan 8.360 nan 0.000 0.449 538 E N 0.073 120.264 120.200 -0.015 0.000 2.106 538 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 538 E C 2.120 178.713 176.600 -0.012 0.000 0.984 538 E CA 0.696 57.089 56.400 -0.013 0.000 0.806 538 E CB -0.011 29.679 29.700 -0.017 0.000 0.750 538 E HN 0.202 nan 8.360 nan 0.000 0.458 539 L N 0.860 122.070 121.223 -0.022 0.000 2.072 539 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 539 L C 2.003 178.861 176.870 -0.019 0.000 1.079 539 L CA 1.383 56.207 54.840 -0.028 0.000 0.752 539 L CB -0.273 41.761 42.059 -0.043 0.000 0.906 539 L HN 0.096 nan 8.230 nan 0.000 0.436 540 L N -0.482 120.734 121.223 -0.012 0.000 2.042 540 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 540 L C 2.660 179.525 176.870 -0.008 0.000 1.076 540 L CA 1.325 56.164 54.840 -0.002 0.000 0.749 540 L CB -0.905 41.156 42.059 0.004 0.000 0.893 540 L HN 0.396 nan 8.230 nan 0.000 0.432 541 A N -0.228 122.586 122.820 -0.010 0.000 1.898 541 A HA -0.134 4.185 4.320 -0.001 0.000 0.216 541 A C 2.507 180.075 177.584 -0.026 0.000 1.181 541 A CA 1.629 53.656 52.037 -0.017 0.000 0.620 541 A CB -0.659 18.333 19.000 -0.012 0.000 0.819 541 A HN 0.406 nan 8.150 nan 0.000 0.442 542 A N -0.328 122.496 122.820 0.006 0.000 1.930 542 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 542 A C 2.135 179.727 177.584 0.013 0.000 1.175 542 A CA 1.406 53.486 52.037 0.071 0.000 0.627 542 A CB -0.564 18.521 19.000 0.141 0.000 0.815 542 A HN 0.458 nan 8.150 nan 0.000 0.443 543 L N -1.142 120.058 121.223 -0.039 0.000 2.141 543 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 543 L C 2.834 179.647 176.870 -0.095 0.000 1.094 543 L CA 1.297 56.065 54.840 -0.120 0.000 0.763 543 L CB -0.347 41.643 42.059 -0.114 0.000 0.908 543 L HN 0.338 nan 8.230 nan 0.000 0.437 544 R N -0.246 120.219 120.500 -0.057 0.000 2.093 544 R HA -0.122 4.217 4.340 -0.001 0.000 0.224 544 R C 2.278 178.517 176.300 -0.102 0.000 1.101 544 R CA 0.866 56.943 56.100 -0.038 0.000 0.979 544 R CB -0.149 30.140 30.300 -0.019 0.000 0.877 544 R HN 0.236 nan 8.270 nan 0.000 0.441 545 K N 0.539 120.832 120.400 -0.178 0.000 2.026 545 K HA -0.121 4.198 4.320 -0.001 0.000 0.208 545 K C 2.063 178.389 176.600 -0.457 0.000 1.048 545 K CA 1.776 57.879 56.287 -0.306 0.000 0.929 545 K CB -0.339 31.934 32.500 -0.378 0.000 0.713 545 K HN 0.220 nan 8.250 nan 0.000 0.439 546 G N 0.222 108.685 108.800 -0.563 0.000 2.422 546 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 546 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.218 546 G C 1.563 176.374 174.900 -0.149 0.000 1.146 546 G CA 0.870 45.690 45.100 -0.465 0.000 0.769 546 G HN 0.460 nan 8.290 nan 0.000 0.547 547 A N 0.476 123.259 122.820 -0.062 0.000 2.015 547 A HA 0.110 4.430 4.320 -0.001 0.000 0.219 547 A C 1.996 179.601 177.584 0.036 0.000 1.163 547 A CA 1.636 53.727 52.037 0.089 0.000 0.646 547 A CB -0.133 18.987 19.000 0.200 0.000 0.806 547 A HN 0.421 nan 8.150 nan 0.000 0.448 548 E N -1.148 119.034 120.200 -0.031 0.000 2.476 548 E HA 0.176 4.526 4.350 -0.001 0.000 0.196 548 E C 1.245 177.814 176.600 -0.052 0.000 1.029 548 E CA -0.306 56.076 56.400 -0.030 0.000 0.896 548 E CB 0.238 29.915 29.700 -0.038 0.000 1.012 548 E HN 0.422 nan 8.360 nan 0.000 0.475 549 L N -0.007 121.168 121.223 -0.081 0.000 2.156 549 L HA 0.119 4.458 4.340 -0.001 0.000 0.208 549 L C 1.492 178.345 176.870 -0.028 0.000 1.095 549 L CA 1.676 56.464 54.840 -0.087 0.000 0.770 549 L CB -0.202 41.768 42.059 -0.148 0.000 0.914 549 L HN 0.271 nan 8.230 nan 0.000 0.439 550 G N -0.074 108.725 108.800 -0.002 0.000 2.153 550 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.252 550 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.252 550 G C 0.501 175.417 174.900 0.027 0.000 0.994 550 G CA 0.579 45.688 45.100 0.015 0.000 0.698 550 G HN 0.427 nan 8.290 nan 0.000 0.521 551 R N -0.536 119.986 120.500 0.038 0.000 2.710 551 R HA 0.429 4.769 4.340 -0.001 0.000 0.270 551 R C -2.715 173.639 176.300 0.090 0.000 1.021 551 R CA -1.803 54.332 56.100 0.058 0.000 0.889 551 R CB 2.311 32.647 30.300 0.059 0.000 1.243 551 R HN 0.040 nan 8.270 nan 0.000 0.464 552 P HA 0.089 nan 4.420 nan 0.000 0.269 552 P C -1.060 176.369 177.300 0.216 0.000 1.217 552 P CA 0.260 63.435 63.100 0.127 0.000 0.783 552 P CB 0.538 32.293 31.700 0.091 0.000 0.898 553 F N 1.107 121.047 119.950 -0.015 0.000 2.641 553 F HA 0.591 5.117 4.527 -0.001 0.000 0.308 553 F C -1.692 174.068 175.800 -0.068 0.000 1.105 553 F CA -1.006 56.969 58.000 -0.041 0.000 0.964 553 F CB 1.568 40.533 39.000 -0.059 0.000 1.294 553 F HN 0.174 nan 8.300 nan 0.000 0.442 554 L N 5.885 126.696 121.223 -0.687 0.000 2.401 554 L HA 0.754 5.094 4.340 -0.001 0.000 0.266 554 L C -1.685 174.782 176.870 -0.672 0.000 0.991 554 L CA -0.474 54.058 54.840 -0.513 0.000 0.818 554 L CB 1.896 43.755 42.059 -0.334 0.000 1.321 554 L HN 0.572 nan 8.230 nan 0.000 0.413 555 I N 3.682 123.995 120.570 -0.430 0.000 2.447 555 I HA 0.377 4.547 4.170 -0.001 0.000 0.287 555 I C -0.645 175.296 176.117 -0.293 0.000 1.023 555 I CA -0.451 60.657 61.300 -0.320 0.000 1.083 555 I CB 1.974 39.859 38.000 -0.191 0.000 1.245 555 I HN 0.587 nan 8.210 nan 0.000 0.434 556 E N 6.059 126.118 120.200 -0.235 0.000 2.197 556 E HA 0.569 4.918 4.350 -0.001 0.000 0.281 556 E C -1.564 174.936 176.600 -0.167 0.000 0.995 556 E CA -0.576 55.699 56.400 -0.208 0.000 0.808 556 E CB 1.745 31.384 29.700 -0.101 0.000 1.093 556 E HN 0.375 nan 8.360 nan 0.000 0.394 557 V N 7.010 126.812 119.914 -0.187 0.000 2.443 557 V HA 0.344 4.464 4.120 -0.001 0.000 0.293 557 V C -2.279 173.724 176.094 -0.153 0.000 1.021 557 V CA -1.881 60.325 62.300 -0.156 0.000 0.848 557 V CB 1.544 33.265 31.823 -0.170 0.000 0.998 557 V HN 0.721 nan 8.190 nan 0.000 0.424 558 P HA 0.244 nan 4.420 nan 0.000 0.271 558 P C -0.597 176.606 177.300 -0.163 0.000 1.220 558 P CA 0.291 63.322 63.100 -0.115 0.000 0.768 558 P CB 1.410 33.062 31.700 -0.080 0.000 0.848 559 V N 0.929 120.717 119.914 -0.210 0.000 3.160 559 V HA 0.700 4.819 4.120 -0.001 0.000 0.310 559 V C -0.804 175.080 176.094 -0.350 0.000 1.181 559 V CA -0.971 61.142 62.300 -0.312 0.000 1.047 559 V CB 2.245 33.813 31.823 -0.424 0.000 1.068 559 V HN 0.450 nan 8.190 nan 0.000 0.441 560 N N -0.557 117.885 118.700 -0.431 0.000 2.647 560 N HA 0.695 5.435 4.740 -0.001 0.000 0.266 560 N C -1.000 174.209 175.510 -0.501 0.000 1.373 560 N CA -0.521 52.276 53.050 -0.423 0.000 0.807 560 N CB 2.120 40.473 38.487 -0.223 0.000 1.513 560 N HN 0.740 nan 8.380 nan 0.000 0.505 561 Y N -0.211 120.060 120.300 -0.048 0.000 2.594 561 Y HA 0.258 4.807 4.550 -0.001 0.000 0.283 561 Y C 0.018 175.927 175.900 0.015 0.000 1.140 561 Y CA 0.092 58.245 58.100 0.088 0.000 1.261 561 Y CB 0.275 38.923 38.460 0.314 0.000 1.358 561 Y HN 0.518 nan 8.280 nan 0.000 0.513 562 D N 1.160 121.502 120.400 -0.096 0.000 3.082 562 D HA -0.196 4.443 4.640 -0.001 0.000 0.234 562 D C -1.140 175.204 176.300 0.073 0.000 1.159 562 D CA 0.307 54.243 54.000 -0.106 0.000 0.875 562 D CB -1.228 39.579 40.800 0.013 0.000 0.946 562 D HN 0.118 nan 8.370 nan 0.000 0.411 563 F N -0.381 119.727 119.950 0.264 0.000 2.378 563 F HA 0.559 5.085 4.527 -0.001 0.000 0.325 563 F C 1.023 176.968 175.800 0.241 0.000 1.097 563 F CA -1.040 57.133 58.000 0.288 0.000 1.079 563 F CB 0.599 39.663 39.000 0.108 0.000 1.240 563 F HN -0.006 nan 8.300 nan 0.000 0.519 564 Q N 2.870 123.013 119.800 0.572 0.000 2.563 564 Q HA 0.243 4.582 4.340 -0.001 0.000 0.232 564 Q C -1.837 174.431 176.000 0.447 0.000 1.106 564 Q CA -1.855 54.190 55.803 0.403 0.000 0.913 564 Q CB 1.272 30.186 28.738 0.292 0.000 1.175 564 Q HN 0.432 nan 8.270 nan 0.000 0.540 565 P HA -0.204 nan 4.420 nan 0.000 0.218 565 P C 1.095 178.554 177.300 0.264 0.000 1.146 565 P CA 1.261 64.492 63.100 0.218 0.000 0.813 565 P CB 0.234 31.982 31.700 0.079 0.000 0.778 566 G N -0.277 108.651 108.800 0.215 0.000 2.598 566 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.215 566 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.215 566 G C 1.474 176.418 174.900 0.074 0.000 1.131 566 G CA 0.592 45.779 45.100 0.144 0.000 0.785 566 G HN 0.440 nan 8.290 nan 0.000 0.539 567 G N -0.347 108.467 108.800 0.024 0.000 3.314 567 G HA2 0.313 4.273 3.960 -0.001 0.000 0.238 567 G HA3 0.313 4.273 3.960 -0.001 0.000 0.238 567 G C 0.197 174.834 174.900 -0.439 0.000 1.184 567 G CA -0.388 44.589 45.100 -0.206 0.000 0.806 567 G HN 0.295 nan 8.290 nan 0.000 0.536 568 F N 0.430 120.340 119.950 -0.067 0.000 2.791 568 F HA 0.298 4.824 4.527 -0.001 0.000 0.308 568 F C 2.033 177.741 175.800 -0.152 0.000 1.138 568 F CA -0.515 57.401 58.000 -0.141 0.000 1.294 568 F CB 0.929 39.795 39.000 -0.224 0.000 0.975 568 F HN 0.088 nan 8.300 nan 0.000 0.512 569 G N 0.314 109.110 108.800 -0.007 0.000 2.448 569 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.219 569 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.219 569 G C 1.870 176.741 174.900 -0.049 0.000 1.127 569 G CA 0.913 45.999 45.100 -0.022 0.000 0.766 569 G HN 0.430 nan 8.290 nan 0.000 0.552 570 A N 0.507 123.284 122.820 -0.072 0.000 2.125 570 A HA 0.160 4.479 4.320 -0.001 0.000 0.219 570 A C 2.241 179.761 177.584 -0.107 0.000 1.156 570 A CA 0.749 52.734 52.037 -0.085 0.000 0.671 570 A CB -0.261 18.689 19.000 -0.084 0.000 0.794 570 A HN 0.386 nan 8.150 nan 0.000 0.459 571 L N -0.289 120.858 121.223 -0.128 0.000 2.456 571 L HA -0.037 4.303 4.340 -0.001 0.000 0.224 571 L C 1.089 177.915 176.870 -0.074 0.000 1.148 571 L CA 0.005 54.749 54.840 -0.160 0.000 0.825 571 L CB -0.438 41.487 42.059 -0.223 0.000 0.937 571 L HN 0.222 nan 8.230 nan 0.000 0.450 572 S N 0.000 115.667 115.700 -0.055 0.000 2.498 572 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 572 S CA 0.000 58.179 58.200 -0.036 0.000 1.107 572 S CB 0.000 63.184 63.200 -0.027 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517