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 1upc_1_D 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 XXPNPPANTP 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 0.000 177.250 177.300 -0.083 0.000 1.155 12 P CA 0.000 63.007 63.100 -0.155 0.000 0.800 12 P CB 0.000 31.543 31.700 -0.261 0.000 0.726 13 T N -0.065 114.476 114.554 -0.022 0.000 2.883 13 T HA 0.684 5.034 4.350 0.001 0.000 0.284 13 T C 1.170 175.902 174.700 0.054 0.000 1.041 13 T CA 0.241 62.350 62.100 0.015 0.000 1.007 13 T CB 1.559 70.430 68.868 0.006 0.000 1.220 13 T HN 0.377 nan 8.240 nan 0.000 0.552 14 A N 0.409 123.259 122.820 0.049 0.000 2.066 14 A HA 0.266 4.587 4.320 0.001 0.000 0.218 14 A C 2.347 179.970 177.584 0.065 0.000 1.157 14 A CA 1.772 53.846 52.037 0.062 0.000 0.670 14 A CB -1.011 18.018 19.000 0.049 0.000 0.804 14 A HN 0.869 nan 8.150 nan 0.000 0.453 15 A N -0.402 122.441 122.820 0.039 0.000 1.883 15 A HA -0.234 4.086 4.320 0.001 0.000 0.217 15 A C 2.003 179.593 177.584 0.009 0.000 1.186 15 A CA 2.077 54.108 52.037 -0.010 0.000 0.624 15 A CB -0.976 17.964 19.000 -0.099 0.000 0.822 15 A HN 0.807 nan 8.150 nan 0.000 0.444 16 H N -0.531 118.510 119.070 -0.048 0.000 2.321 16 H HA 0.035 4.592 4.556 0.001 0.000 0.300 16 H C 2.157 177.485 175.328 0.001 0.000 1.087 16 H CA 1.874 57.903 56.048 -0.032 0.000 1.319 16 H CB -0.150 29.596 29.762 -0.026 0.000 1.379 16 H HN 0.412 nan 8.280 nan 0.000 0.501 17 A N 0.635 123.592 122.820 0.229 0.000 1.933 17 A HA -0.111 4.210 4.320 0.001 0.000 0.218 17 A C 2.331 179.971 177.584 0.094 0.000 1.175 17 A CA 1.452 53.594 52.037 0.175 0.000 0.628 17 A CB -0.758 18.327 19.000 0.141 0.000 0.814 17 A HN 0.517 nan 8.150 nan 0.000 0.444 18 L N -0.376 120.895 121.223 0.080 0.000 2.027 18 L HA -0.044 4.297 4.340 0.001 0.000 0.206 18 L C 2.187 179.104 176.870 0.079 0.000 1.074 18 L CA 1.730 56.624 54.840 0.090 0.000 0.745 18 L CB -0.540 41.594 42.059 0.125 0.000 0.898 18 L HN 0.364 nan 8.230 nan 0.000 0.433 19 L N -0.984 120.254 121.223 0.024 0.000 2.156 19 L HA -0.126 4.215 4.340 0.001 0.000 0.208 19 L C 2.688 179.537 176.870 -0.035 0.000 1.095 19 L CA 1.280 56.122 54.840 0.004 0.000 0.770 19 L CB -0.592 41.428 42.059 -0.064 0.000 0.914 19 L HN 0.444 nan 8.230 nan 0.000 0.439 20 S N -0.141 115.503 115.700 -0.095 0.000 2.383 20 S HA -0.190 4.281 4.470 0.001 0.000 0.227 20 S C 2.164 176.765 174.600 0.001 0.000 1.026 20 S CA 1.056 59.201 58.200 -0.092 0.000 0.981 20 S CB -0.021 63.117 63.200 -0.103 0.000 0.818 20 S HN 0.233 nan 8.310 nan 0.000 0.472 21 R N 0.912 121.440 120.500 0.047 0.000 2.119 21 R HA 0.304 4.645 4.340 0.001 0.000 0.222 21 R C 2.141 178.539 176.300 0.163 0.000 1.088 21 R CA 1.026 57.182 56.100 0.093 0.000 0.984 21 R CB -0.913 29.458 30.300 0.118 0.000 0.884 21 R HN 0.483 nan 8.270 nan 0.000 0.447 22 L N -0.013 121.291 121.223 0.135 0.000 2.083 22 L HA -0.116 4.225 4.340 0.001 0.000 0.209 22 L C 2.688 179.630 176.870 0.119 0.000 1.083 22 L CA 1.438 56.366 54.840 0.146 0.000 0.752 22 L CB -0.425 41.709 42.059 0.126 0.000 0.899 22 L HN 0.194 nan 8.230 nan 0.000 0.433 23 R N 0.263 120.800 120.500 0.062 0.000 2.092 23 R HA -0.156 4.185 4.340 0.001 0.000 0.231 23 R C 1.713 178.021 176.300 0.014 0.000 1.119 23 R CA 1.619 57.738 56.100 0.030 0.000 0.970 23 R CB -0.209 30.090 30.300 -0.002 0.000 0.864 23 R HN 0.357 nan 8.270 nan 0.000 0.440 24 D N -0.334 120.058 120.400 -0.014 0.000 2.221 24 D HA -0.159 4.481 4.640 0.001 0.000 0.204 24 D C 1.211 177.417 176.300 -0.155 0.000 0.982 24 D CA 1.137 55.081 54.000 -0.094 0.000 0.857 24 D CB -0.275 40.434 40.800 -0.152 0.000 0.934 24 D HN 0.391 nan 8.370 nan 0.000 0.475 25 H N -0.878 118.199 119.070 0.012 0.000 2.524 25 H HA 0.264 4.821 4.556 0.002 0.000 0.280 25 H C 1.485 176.822 175.328 0.015 0.000 1.018 25 H CA 0.729 56.785 56.048 0.012 0.000 1.165 25 H CB 0.559 30.328 29.762 0.012 0.000 1.411 25 H HN 0.222 nan 8.280 nan 0.000 0.569 26 G N 0.714 109.566 108.800 0.086 0.000 2.175 26 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 26 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 26 G C 0.403 175.338 174.900 0.058 0.000 0.982 26 G CA 0.274 45.410 45.100 0.060 0.000 0.641 26 G HN 0.226 nan 8.290 nan 0.000 0.527 27 V N 1.132 121.091 119.914 0.074 0.000 2.529 27 V HA 0.481 4.602 4.120 0.001 0.000 0.292 27 V C 1.646 177.759 176.094 0.032 0.000 1.028 27 V CA 1.329 63.665 62.300 0.060 0.000 1.074 27 V CB 1.250 33.120 31.823 0.078 0.000 0.958 27 V HN 0.659 nan 8.190 nan 0.000 0.481 28 G N 4.617 113.423 108.800 0.011 0.000 2.944 28 G HA2 0.173 4.134 3.960 0.001 0.000 0.220 28 G HA3 0.173 4.134 3.960 0.001 0.000 0.220 28 G C 0.452 175.307 174.900 -0.074 0.000 1.100 28 G CA -0.119 44.969 45.100 -0.019 0.000 0.780 28 G HN 0.506 nan 8.290 nan 0.000 0.539 29 K N 0.608 120.939 120.400 -0.114 0.000 2.422 29 K HA 0.582 4.903 4.320 0.001 0.000 0.251 29 K C -1.556 174.862 176.600 -0.303 0.000 0.933 29 K CA -0.628 55.476 56.287 -0.306 0.000 0.798 29 K CB 2.990 35.161 32.500 -0.549 0.000 1.238 29 K HN -0.126 nan 8.250 nan 0.000 0.428 30 V N 3.592 123.260 119.914 -0.410 0.000 2.378 30 V HA 0.402 4.523 4.120 0.001 0.000 0.288 30 V C -0.680 174.924 176.094 -0.816 0.000 1.016 30 V CA -0.812 61.272 62.300 -0.360 0.000 0.840 30 V CB 0.409 32.149 31.823 -0.139 0.000 0.994 30 V HN 0.508 nan 8.190 nan 0.000 0.431 31 F N 3.174 122.860 119.950 -0.439 0.000 2.396 31 F HA 0.831 5.359 4.527 0.001 0.000 0.343 31 F C 1.002 176.530 175.800 -0.452 0.000 1.104 31 F CA 0.338 58.043 58.000 -0.491 0.000 1.161 31 F CB 1.685 40.533 39.000 -0.254 0.000 1.146 31 F HN 0.698 nan 8.300 nan 0.000 0.522 32 G N 0.843 109.443 108.800 -0.333 0.000 2.325 32 G HA2 0.473 4.434 3.960 0.001 0.000 0.295 32 G HA3 0.473 4.434 3.960 0.001 0.000 0.295 32 G C -2.355 172.731 174.900 0.310 0.000 1.274 32 G CA -0.747 44.415 45.100 0.103 0.000 0.857 32 G HN 0.450 nan 8.290 nan 0.000 0.499 33 V N 0.457 120.619 119.914 0.413 0.000 2.525 33 V HA 0.548 4.669 4.120 0.001 0.000 0.299 33 V C 0.010 176.314 176.094 0.351 0.000 1.034 33 V CA -0.684 61.809 62.300 0.322 0.000 0.863 33 V CB 1.397 33.326 31.823 0.175 0.000 0.999 33 V HN 0.716 nan 8.190 nan 0.000 0.423 34 V N 4.292 124.297 119.914 0.152 0.000 2.498 34 V HA 0.712 4.833 4.120 0.001 0.000 0.279 34 V C 0.965 177.136 176.094 0.128 0.000 1.048 34 V CA 0.368 62.727 62.300 0.097 0.000 0.967 34 V CB 1.157 32.847 31.823 -0.221 0.000 0.988 34 V HN 0.956 nan 8.190 nan 0.000 0.473 35 G N 3.609 112.529 108.800 0.200 0.000 2.857 35 G HA2 0.346 4.307 3.960 0.001 0.000 0.217 35 G HA3 0.346 4.307 3.960 0.001 0.000 0.217 35 G C 0.810 175.779 174.900 0.116 0.000 1.357 35 G CA -0.334 44.851 45.100 0.141 0.000 1.033 35 G HN 0.757 nan 8.290 nan 0.000 0.571 36 R N -0.121 120.440 120.500 0.101 0.000 2.293 36 R HA -0.051 4.290 4.340 0.001 0.000 0.219 36 R C 1.580 177.929 176.300 0.082 0.000 1.091 36 R CA 1.802 57.950 56.100 0.080 0.000 1.004 36 R CB -0.265 30.081 30.300 0.077 0.000 0.865 36 R HN 0.567 nan 8.270 nan 0.000 0.469 37 E N 1.491 121.765 120.200 0.123 0.000 2.510 37 E HA -0.135 4.215 4.350 0.001 0.000 0.202 37 E C 1.448 178.094 176.600 0.076 0.000 1.072 37 E CA 1.054 57.535 56.400 0.134 0.000 0.883 37 E CB -0.034 29.817 29.700 0.253 0.000 0.818 37 E HN 0.503 nan 8.360 nan 0.000 0.548 38 A N 1.662 124.510 122.820 0.047 0.000 2.024 38 A HA -0.017 4.303 4.320 0.001 0.000 0.220 38 A C 2.470 180.030 177.584 -0.041 0.000 1.164 38 A CA 1.732 53.753 52.037 -0.027 0.000 0.643 38 A CB -0.605 18.382 19.000 -0.021 0.000 0.806 38 A HN 0.439 nan 8.150 nan 0.000 0.451 39 A N -0.967 121.848 122.820 -0.009 0.000 2.070 39 A HA 0.002 4.323 4.320 0.001 0.000 0.220 39 A C 2.211 179.781 177.584 -0.023 0.000 1.159 39 A CA 1.952 53.983 52.037 -0.011 0.000 0.656 39 A CB -0.359 18.647 19.000 0.010 0.000 0.800 39 A HN 0.452 nan 8.150 nan 0.000 0.453 40 S N -1.960 113.724 115.700 -0.027 0.000 2.505 40 S HA 0.396 4.867 4.470 0.001 0.000 0.216 40 S C 0.266 174.802 174.600 -0.107 0.000 1.018 40 S CA -0.072 58.106 58.200 -0.037 0.000 0.911 40 S CB 0.218 63.420 63.200 0.004 0.000 0.818 40 S HN 0.487 nan 8.310 nan 0.000 0.497 41 I N 1.203 121.656 120.570 -0.195 0.000 2.548 41 I HA 0.325 4.496 4.170 0.001 0.000 0.287 41 I C -0.123 175.687 176.117 -0.511 0.000 1.103 41 I CA -0.512 60.526 61.300 -0.436 0.000 1.049 41 I CB 1.374 38.958 38.000 -0.694 0.000 1.232 41 I HN 0.040 nan 8.210 nan 0.000 0.429 42 L N 6.861 127.833 121.223 -0.417 0.000 2.202 42 L HA 0.194 4.535 4.340 0.001 0.000 0.205 42 L C 0.292 177.052 176.870 -0.184 0.000 1.083 42 L CA 0.941 55.632 54.840 -0.247 0.000 0.790 42 L CB 0.054 42.031 42.059 -0.137 0.000 0.942 42 L HN 0.839 nan 8.230 nan 0.000 0.452 43 F N -0.420 119.396 119.950 -0.224 0.000 2.536 43 F HA -0.196 4.332 4.527 0.001 0.000 0.299 43 F C 0.614 176.350 175.800 -0.107 0.000 0.654 43 F CA 0.568 58.453 58.000 -0.192 0.000 1.632 43 F CB -1.859 36.990 39.000 -0.252 0.000 2.021 43 F HN 0.341 nan 8.300 nan 0.000 0.311 44 D N -0.935 119.462 120.400 -0.005 0.000 2.479 44 D HA 0.180 4.820 4.640 0.001 0.000 0.218 44 D C 1.213 177.499 176.300 -0.023 0.000 1.177 44 D CA 0.201 54.200 54.000 -0.002 0.000 0.830 44 D CB -0.005 40.794 40.800 -0.003 0.000 1.014 44 D HN 0.278 nan 8.370 nan 0.000 0.503 45 E N -0.126 120.040 120.200 -0.056 0.000 2.268 45 E HA 0.044 4.394 4.350 0.001 0.000 0.195 45 E C 0.105 176.663 176.600 -0.069 0.000 0.995 45 E CA 0.687 57.068 56.400 -0.031 0.000 0.836 45 E CB 0.391 30.060 29.700 -0.051 0.000 0.763 45 E HN 0.141 nan 8.360 nan 0.000 0.491 46 V N 0.910 120.760 119.914 -0.106 0.000 2.577 46 V HA 0.169 4.289 4.120 0.001 0.000 0.303 46 V C -0.402 175.660 176.094 -0.053 0.000 1.042 46 V CA -1.043 61.177 62.300 -0.133 0.000 0.872 46 V CB 1.886 33.585 31.823 -0.207 0.000 0.998 46 V HN -0.005 nan 8.190 nan 0.000 0.423 47 E N 2.716 122.896 120.200 -0.034 0.000 2.360 47 E HA 0.461 4.811 4.350 0.001 0.000 0.269 47 E C 1.137 177.727 176.600 -0.017 0.000 1.022 47 E CA 1.046 57.436 56.400 -0.016 0.000 0.887 47 E CB 0.860 30.557 29.700 -0.006 0.000 0.990 47 E HN 1.077 nan 8.360 nan 0.000 0.426 48 G N 3.858 112.650 108.800 -0.012 0.000 2.176 48 G HA2 -0.255 3.705 3.960 0.001 0.000 0.232 48 G HA3 -0.255 3.705 3.960 0.001 0.000 0.232 48 G C 0.010 174.901 174.900 -0.015 0.000 0.986 48 G CA 0.067 45.160 45.100 -0.012 0.000 0.643 48 G HN 0.560 nan 8.290 nan 0.000 0.522 49 I N 2.122 122.685 120.570 -0.012 0.000 2.439 49 I HA 0.424 4.595 4.170 0.001 0.000 0.285 49 I C -1.226 174.891 176.117 -0.000 0.000 1.021 49 I CA -0.911 60.384 61.300 -0.007 0.000 1.091 49 I CB 1.023 39.032 38.000 0.014 0.000 1.242 49 I HN 0.021 nan 8.210 nan 0.000 0.439 50 D N 7.022 127.395 120.400 -0.044 0.000 2.198 50 D HA 0.225 4.866 4.640 0.001 0.000 0.247 50 D C -0.830 175.399 176.300 -0.119 0.000 1.010 50 D CA -0.240 53.731 54.000 -0.049 0.000 0.880 50 D CB 2.310 43.060 40.800 -0.083 0.000 1.209 50 D HN 0.231 nan 8.370 nan 0.000 0.451 51 F N 1.278 121.088 119.950 -0.233 0.000 2.412 51 F HA 0.208 4.736 4.527 0.001 0.000 0.348 51 F C -0.179 175.426 175.800 -0.325 0.000 1.102 51 F CA -0.362 57.408 58.000 -0.383 0.000 1.196 51 F CB 0.943 39.635 39.000 -0.512 0.000 1.144 51 F HN -0.029 nan 8.300 nan 0.000 0.541 52 V N 7.816 127.230 119.914 -0.832 0.000 2.313 52 V HA 0.222 4.343 4.120 0.001 0.000 0.278 52 V C -0.508 175.342 176.094 -0.407 0.000 1.017 52 V CA -0.843 61.148 62.300 -0.516 0.000 0.823 52 V CB 1.037 32.443 31.823 -0.694 0.000 1.010 52 V HN 0.575 nan 8.190 nan 0.000 0.443 53 L N 6.552 127.753 121.223 -0.037 0.000 2.331 53 L HA 0.626 4.967 4.340 0.001 0.000 0.278 53 L C 0.705 177.620 176.870 0.075 0.000 1.106 53 L CA 0.919 55.840 54.840 0.134 0.000 0.824 53 L CB 1.316 43.492 42.059 0.193 0.000 1.142 53 L HN 0.869 nan 8.230 nan 0.000 0.443 54 T N 1.730 116.341 114.554 0.095 0.000 2.938 54 T HA 0.528 4.879 4.350 0.001 0.000 0.285 54 T C 0.927 175.688 174.700 0.101 0.000 1.028 54 T CA -0.824 61.328 62.100 0.086 0.000 1.005 54 T CB 1.285 70.203 68.868 0.082 0.000 1.157 54 T HN 0.493 nan 8.240 nan 0.000 0.550 55 R N -0.269 120.291 120.500 0.100 0.000 2.276 55 R HA 0.240 4.580 4.340 0.001 0.000 0.196 55 R C 0.441 176.847 176.300 0.177 0.000 0.961 55 R CA 0.462 56.629 56.100 0.111 0.000 1.024 55 R CB -0.675 29.673 30.300 0.080 0.000 0.940 55 R HN 0.780 nan 8.270 nan 0.000 0.480 56 H N -0.701 118.408 119.070 0.065 0.000 3.046 56 H HA 0.127 4.684 4.556 0.001 0.000 0.363 56 H C -0.215 175.178 175.328 0.109 0.000 1.203 56 H CA -0.255 55.845 56.048 0.087 0.000 1.169 56 H CB 1.921 31.738 29.762 0.090 0.000 1.851 56 H HN -0.217 nan 8.280 nan 0.000 0.546 57 E N 2.634 122.713 120.200 -0.202 0.000 2.150 57 E HA -0.101 4.250 4.350 0.001 0.000 0.193 57 E C 1.548 178.226 176.600 0.129 0.000 0.985 57 E CA 0.987 57.372 56.400 -0.025 0.000 0.814 57 E CB -0.036 29.613 29.700 -0.085 0.000 0.752 57 E HN 0.445 nan 8.360 nan 0.000 0.466 58 F N 1.467 121.517 119.950 0.167 0.000 2.091 58 F HA -0.282 4.246 4.527 0.002 0.000 0.299 58 F C 2.018 177.867 175.800 0.081 0.000 1.103 58 F CA 1.815 59.923 58.000 0.181 0.000 1.228 58 F CB -0.704 38.469 39.000 0.289 0.000 0.984 58 F HN -0.066 nan 8.300 nan 0.000 0.477 59 T N 0.683 115.240 114.554 0.005 0.000 2.746 59 T HA -0.138 4.213 4.350 0.001 0.000 0.267 59 T C 2.234 176.796 174.700 -0.231 0.000 1.039 59 T CA 1.426 63.410 62.100 -0.193 0.000 1.142 59 T CB -0.850 68.010 68.868 -0.013 0.000 0.866 59 T HN 0.393 nan 8.240 nan 0.000 0.444 60 A N 1.331 124.098 122.820 -0.089 0.000 1.902 60 A HA 0.096 4.416 4.320 0.001 0.000 0.217 60 A C 2.612 180.085 177.584 -0.185 0.000 1.181 60 A CA 1.893 53.887 52.037 -0.071 0.000 0.623 60 A CB -1.316 17.718 19.000 0.057 0.000 0.818 60 A HN 0.514 nan 8.150 nan 0.000 0.443 61 G N -0.826 107.882 108.800 -0.153 0.000 2.402 61 G HA2 -0.053 3.908 3.960 0.001 0.000 0.216 61 G HA3 -0.053 3.908 3.960 0.001 0.000 0.216 61 G C 1.485 176.229 174.900 -0.261 0.000 1.162 61 G CA 1.170 46.184 45.100 -0.143 0.000 0.777 61 G HN 0.313 nan 8.290 nan 0.000 0.539 62 V N 1.484 121.151 119.914 -0.412 0.000 2.453 62 V HA -0.063 4.058 4.120 0.001 0.000 0.247 62 V C 3.303 179.098 176.094 -0.498 0.000 1.048 62 V CA 1.781 63.806 62.300 -0.458 0.000 1.049 62 V CB -0.686 30.725 31.823 -0.687 0.000 0.672 62 V HN 0.462 nan 8.190 nan 0.000 0.457 63 A N 0.302 122.756 122.820 -0.610 0.000 1.883 63 A HA -0.207 4.113 4.320 0.001 0.000 0.217 63 A C 2.440 179.488 177.584 -0.893 0.000 1.186 63 A CA 2.397 53.943 52.037 -0.818 0.000 0.624 63 A CB -0.873 17.413 19.000 -1.190 0.000 0.822 63 A HN 0.575 nan 8.150 nan 0.000 0.444 64 A N 0.035 122.356 122.820 -0.832 0.000 1.902 64 A HA -0.191 4.129 4.320 0.001 0.000 0.217 64 A C 1.797 179.234 177.584 -0.246 0.000 1.181 64 A CA 2.174 53.947 52.037 -0.439 0.000 0.623 64 A CB -0.866 18.027 19.000 -0.177 0.000 0.818 64 A HN 0.678 nan 8.150 nan 0.000 0.443 65 D N -0.593 119.670 120.400 -0.229 0.000 2.106 65 D HA -0.160 4.481 4.640 0.001 0.000 0.191 65 D C 1.675 177.871 176.300 -0.175 0.000 0.997 65 D CA 2.016 55.923 54.000 -0.153 0.000 0.834 65 D CB -0.119 40.614 40.800 -0.113 0.000 0.956 65 D HN 0.143 nan 8.370 nan 0.000 0.448 66 V N -0.004 119.769 119.914 -0.235 0.000 2.323 66 V HA -0.134 3.986 4.120 0.001 0.000 0.244 66 V C 2.444 178.415 176.094 -0.205 0.000 1.041 66 V CA 1.314 63.474 62.300 -0.234 0.000 1.025 66 V CB -0.586 31.069 31.823 -0.279 0.000 0.656 66 V HN 0.315 nan 8.190 nan 0.000 0.451 67 L N 0.984 122.088 121.223 -0.199 0.000 2.043 67 L HA -0.172 4.169 4.340 0.001 0.000 0.212 67 L C 2.402 179.230 176.870 -0.071 0.000 1.075 67 L CA 2.496 57.274 54.840 -0.104 0.000 0.752 67 L CB -0.921 41.109 42.059 -0.048 0.000 0.891 67 L HN 0.258 nan 8.230 nan 0.000 0.432 68 A N -0.802 121.967 122.820 -0.086 0.000 1.930 68 A HA -0.203 4.118 4.320 0.001 0.000 0.217 68 A C 2.515 180.053 177.584 -0.076 0.000 1.175 68 A CA 1.541 53.545 52.037 -0.055 0.000 0.627 68 A CB -0.558 18.413 19.000 -0.049 0.000 0.815 68 A HN 0.508 nan 8.150 nan 0.000 0.443 69 R N -0.240 120.169 120.500 -0.152 0.000 2.066 69 R HA -0.013 4.328 4.340 0.001 0.000 0.232 69 R C 1.869 178.026 176.300 -0.240 0.000 1.131 69 R CA 1.701 57.648 56.100 -0.256 0.000 0.955 69 R CB -0.351 29.679 30.300 -0.450 0.000 0.851 69 R HN 0.506 nan 8.270 nan 0.000 0.432 70 I N 0.562 121.015 120.570 -0.195 0.000 2.286 70 I HA -0.204 3.967 4.170 0.001 0.000 0.245 70 I C 2.220 178.376 176.117 0.065 0.000 1.104 70 I CA 1.697 62.983 61.300 -0.023 0.000 1.397 70 I CB -0.284 37.707 38.000 -0.014 0.000 1.072 70 I HN 0.403 nan 8.210 nan 0.000 0.417 71 T N -2.012 112.557 114.554 0.025 0.000 3.067 71 T HA 0.124 4.475 4.350 0.001 0.000 0.261 71 T C 1.719 176.451 174.700 0.053 0.000 1.110 71 T CA 0.565 62.691 62.100 0.044 0.000 1.113 71 T CB -0.038 68.849 68.868 0.032 0.000 0.917 71 T HN 0.512 nan 8.240 nan 0.000 0.499 72 G N 1.837 110.667 108.800 0.050 0.000 2.166 72 G HA2 -0.288 3.673 3.960 0.001 0.000 0.260 72 G HA3 -0.288 3.673 3.960 0.001 0.000 0.260 72 G C 0.113 175.035 174.900 0.038 0.000 0.986 72 G CA 0.303 45.435 45.100 0.053 0.000 0.683 72 G HN 0.714 nan 8.290 nan 0.000 0.527 73 R N -0.128 120.390 120.500 0.031 0.000 2.778 73 R HA 0.497 4.837 4.340 0.001 0.000 0.277 73 R C -2.815 173.501 176.300 0.026 0.000 0.977 73 R CA -2.266 53.855 56.100 0.035 0.000 0.950 73 R CB 1.470 31.796 30.300 0.044 0.000 1.165 73 R HN -0.011 nan 8.270 nan 0.000 0.474 74 P HA -0.040 nan 4.420 nan 0.000 0.265 74 P C -0.729 176.593 177.300 0.035 0.000 1.193 74 P CA 0.275 63.383 63.100 0.014 0.000 0.765 74 P CB 0.672 32.367 31.700 -0.010 0.000 0.823 75 Q N 1.078 120.900 119.800 0.036 0.000 2.873 75 Q HA 0.859 5.199 4.340 0.001 0.000 0.297 75 Q C -0.949 175.102 176.000 0.085 0.000 1.064 75 Q CA -0.955 54.893 55.803 0.074 0.000 0.816 75 Q CB 2.210 30.992 28.738 0.073 0.000 1.481 75 Q HN 0.415 nan 8.270 nan 0.000 0.488 76 A N 0.182 123.086 122.820 0.140 0.000 2.488 76 A HA 0.748 5.069 4.320 0.001 0.000 0.298 76 A C -0.641 177.064 177.584 0.202 0.000 1.044 76 A CA -0.541 51.589 52.037 0.154 0.000 0.693 76 A CB 0.633 19.728 19.000 0.158 0.000 1.272 76 A HN 0.817 nan 8.150 nan 0.000 0.402 77 C N -0.208 119.204 119.300 0.187 0.000 3.154 77 C HA 0.982 5.443 4.460 0.001 0.000 0.312 77 C C -1.014 174.140 174.990 0.274 0.000 1.349 77 C CA -0.940 58.199 59.018 0.203 0.000 1.518 77 C CB 1.456 29.270 27.740 0.123 0.000 1.934 77 C HN 1.082 nan 8.230 nan 0.000 0.462 78 W N 1.043 122.403 121.300 0.101 0.000 3.129 78 W HA 0.658 5.319 4.660 0.001 0.000 0.333 78 W C -0.935 175.688 176.519 0.174 0.000 1.141 78 W CA 0.024 57.477 57.345 0.178 0.000 1.224 78 W CB 2.243 31.872 29.460 0.283 0.000 1.393 78 W HN 1.319 nan 8.180 nan 0.000 0.499 79 A N 2.387 125.149 122.820 -0.096 0.000 2.602 79 A HA 0.635 4.956 4.320 0.001 0.000 0.290 79 A C -0.963 176.610 177.584 -0.018 0.000 1.114 79 A CA -0.441 51.646 52.037 0.083 0.000 0.683 79 A CB 1.820 20.847 19.000 0.046 0.000 1.281 79 A HN 0.407 nan 8.150 nan 0.000 0.416 80 T N 0.119 114.738 114.554 0.108 0.000 2.810 80 T HA 0.543 4.894 4.350 0.001 0.000 0.277 80 T C 0.565 175.284 174.700 0.032 0.000 0.973 80 T CA -0.066 62.095 62.100 0.102 0.000 0.949 80 T CB -0.002 68.946 68.868 0.133 0.000 1.075 80 T HN 1.158 nan 8.240 nan 0.000 0.537 81 L N 0.559 121.801 121.223 0.032 0.000 2.479 81 L HA 0.550 4.891 4.340 0.001 0.000 0.270 81 L C 1.254 178.120 176.870 -0.007 0.000 1.236 81 L CA 0.012 54.857 54.840 0.009 0.000 0.823 81 L CB -0.875 41.188 42.059 0.005 0.000 1.098 81 L HN 0.923 nan 8.230 nan 0.000 0.500 82 G N 1.815 110.604 108.800 -0.018 0.000 2.602 82 G HA2 -0.320 3.640 3.960 0.001 0.000 0.310 82 G HA3 -0.320 3.640 3.960 0.001 0.000 0.310 82 G C -1.115 173.765 174.900 -0.034 0.000 1.183 82 G CA 0.316 45.394 45.100 -0.038 0.000 0.979 82 G HN 0.776 nan 8.290 nan 0.000 0.545 83 P HA 0.007 nan 4.420 nan 0.000 0.223 83 P C 1.939 179.223 177.300 -0.027 0.000 1.151 83 P CA 2.299 65.383 63.100 -0.028 0.000 0.787 83 P CB -0.674 31.012 31.700 -0.023 0.000 0.788 84 G N 0.869 109.660 108.800 -0.015 0.000 2.459 84 G HA2 -0.289 3.672 3.960 0.001 0.000 0.217 84 G HA3 -0.289 3.672 3.960 0.001 0.000 0.217 84 G C 1.548 176.439 174.900 -0.015 0.000 1.183 84 G CA 1.082 46.178 45.100 -0.007 0.000 0.776 84 G HN 0.160 nan 8.290 nan 0.000 0.552 85 M N 1.921 121.514 119.600 -0.012 0.000 2.117 85 M HA -0.116 4.365 4.480 0.001 0.000 0.262 85 M C 2.749 179.009 176.300 -0.066 0.000 1.065 85 M CA 2.555 57.839 55.300 -0.026 0.000 1.114 85 M CB -1.174 31.419 32.600 -0.013 0.000 1.361 85 M HN 0.411 nan 8.290 nan 0.000 0.408 86 T N -1.316 113.205 114.554 -0.055 0.000 2.867 86 T HA -0.090 4.261 4.350 0.001 0.000 0.268 86 T C 1.572 176.262 174.700 -0.017 0.000 1.057 86 T CA 1.529 63.600 62.100 -0.048 0.000 1.136 86 T CB -0.577 68.269 68.868 -0.036 0.000 0.874 86 T HN 0.322 nan 8.240 nan 0.000 0.466 87 N N 1.151 119.839 118.700 -0.020 0.000 2.188 87 N HA 0.111 4.852 4.740 0.001 0.000 0.184 87 N C 1.813 177.351 175.510 0.046 0.000 1.018 87 N CA 0.625 53.670 53.050 -0.008 0.000 0.858 87 N CB -0.573 37.798 38.487 -0.192 0.000 0.989 87 N HN 0.315 nan 8.380 nan 0.000 0.426 88 L N 1.059 122.291 121.223 0.015 0.000 2.201 88 L HA -0.120 4.221 4.340 0.001 0.000 0.212 88 L C 2.066 178.968 176.870 0.053 0.000 1.105 88 L CA 1.124 55.992 54.840 0.048 0.000 0.775 88 L CB -0.481 41.596 42.059 0.031 0.000 0.913 88 L HN 0.267 nan 8.230 nan 0.000 0.440 89 S N -1.816 113.887 115.700 0.006 0.000 2.399 89 S HA -0.192 4.279 4.470 0.001 0.000 0.231 89 S C 1.765 176.393 174.600 0.047 0.000 1.022 89 S CA 1.712 59.897 58.200 -0.025 0.000 0.983 89 S CB -0.603 62.551 63.200 -0.076 0.000 0.803 89 S HN 0.408 nan 8.310 nan 0.000 0.480 90 T N 1.512 116.140 114.554 0.123 0.000 2.867 90 T HA 0.077 4.428 4.350 0.001 0.000 0.268 90 T C 1.948 176.850 174.700 0.336 0.000 1.057 90 T CA 1.274 63.496 62.100 0.203 0.000 1.136 90 T CB -0.980 67.988 68.868 0.167 0.000 0.874 90 T HN 0.655 nan 8.240 nan 0.000 0.466 91 G N 1.325 110.314 108.800 0.315 0.000 2.402 91 G HA2 -0.098 3.863 3.960 0.001 0.000 0.216 91 G HA3 -0.098 3.863 3.960 0.001 0.000 0.216 91 G C 1.511 176.453 174.900 0.069 0.000 1.162 91 G CA 0.328 45.510 45.100 0.135 0.000 0.777 91 G HN 0.482 nan 8.290 nan 0.000 0.539 92 I N 1.407 122.010 120.570 0.055 0.000 2.226 92 I HA -0.190 3.981 4.170 0.001 0.000 0.245 92 I C 3.261 179.395 176.117 0.028 0.000 1.100 92 I CA 0.984 62.299 61.300 0.026 0.000 1.374 92 I CB -0.190 37.800 38.000 -0.016 0.000 1.057 92 I HN 0.248 nan 8.210 nan 0.000 0.413 93 A N 0.238 123.083 122.820 0.041 0.000 1.930 93 A HA -0.180 4.141 4.320 0.001 0.000 0.217 93 A C 2.365 179.980 177.584 0.052 0.000 1.175 93 A CA 2.222 54.281 52.037 0.037 0.000 0.627 93 A CB -0.978 18.046 19.000 0.038 0.000 0.815 93 A HN 0.363 nan 8.150 nan 0.000 0.443 94 T N -0.507 114.102 114.554 0.092 0.000 2.684 94 T HA -0.157 4.194 4.350 0.001 0.000 0.267 94 T C 2.289 177.015 174.700 0.043 0.000 1.036 94 T CA 1.866 64.022 62.100 0.094 0.000 1.148 94 T CB -0.311 68.647 68.868 0.150 0.000 0.863 94 T HN 0.567 nan 8.240 nan 0.000 0.436 95 S N 0.055 115.771 115.700 0.028 0.000 2.383 95 S HA -0.063 4.408 4.470 0.001 0.000 0.227 95 S C 2.148 176.753 174.600 0.008 0.000 1.026 95 S CA 1.095 59.299 58.200 0.008 0.000 0.981 95 S CB -0.475 62.728 63.200 0.005 0.000 0.818 95 S HN 0.280 nan 8.310 nan 0.000 0.472 96 V N 0.883 120.805 119.914 0.013 0.000 2.453 96 V HA 0.095 4.216 4.120 0.001 0.000 0.247 96 V C 2.091 178.187 176.094 0.004 0.000 1.048 96 V CA 1.569 63.875 62.300 0.010 0.000 1.049 96 V CB -0.242 31.588 31.823 0.011 0.000 0.672 96 V HN 0.543 nan 8.190 nan 0.000 0.457 97 L N -0.580 120.643 121.223 0.001 0.000 2.202 97 L HA 0.032 4.373 4.340 0.001 0.000 0.205 97 L C 2.031 178.887 176.870 -0.023 0.000 1.083 97 L CA 1.198 56.032 54.840 -0.011 0.000 0.790 97 L CB -0.333 41.717 42.059 -0.015 0.000 0.942 97 L HN 0.289 nan 8.230 nan 0.000 0.452 98 D N -0.038 120.351 120.400 -0.019 0.000 2.323 98 D HA 0.004 4.645 4.640 0.001 0.000 0.209 98 D C -0.198 176.088 176.300 -0.024 0.000 0.973 98 D CA 0.231 54.214 54.000 -0.029 0.000 0.874 98 D CB 0.246 41.031 40.800 -0.025 0.000 0.930 98 D HN -0.016 nan 8.370 nan 0.000 0.521 99 R N 0.222 120.713 120.500 -0.016 0.000 2.093 99 R HA -0.077 4.264 4.340 0.001 0.000 0.372 99 R C -0.779 175.510 176.300 -0.020 0.000 1.105 99 R CA 0.137 56.230 56.100 -0.011 0.000 0.794 99 R CB -3.037 27.259 30.300 -0.006 0.000 2.512 99 R HN 0.323 nan 8.270 nan 0.000 0.483 100 S N 0.363 116.051 115.700 -0.019 0.000 2.537 100 S HA 0.727 5.198 4.470 0.001 0.000 0.270 100 S C -2.936 171.654 174.600 -0.017 0.000 1.142 100 S CA -1.549 56.633 58.200 -0.029 0.000 0.870 100 S CB 3.635 66.803 63.200 -0.054 0.000 1.112 100 S HN 0.213 nan 8.310 nan 0.000 0.466 101 P HA 0.341 nan 4.420 nan 0.000 0.268 101 P C -0.888 176.407 177.300 -0.009 0.000 1.541 101 P CA -0.241 62.852 63.100 -0.012 0.000 1.093 101 P CB 0.447 32.139 31.700 -0.013 0.000 1.551 102 V N 5.728 125.644 119.914 0.002 0.000 2.495 102 V HA 0.309 4.430 4.120 0.001 0.000 0.298 102 V C 0.479 176.595 176.094 0.037 0.000 1.031 102 V CA -0.761 61.548 62.300 0.016 0.000 0.871 102 V CB 2.136 33.965 31.823 0.009 0.000 0.988 102 V HN 0.320 nan 8.190 nan 0.000 0.432 103 I N 4.459 125.055 120.570 0.043 0.000 2.291 103 I HA 0.491 4.662 4.170 0.001 0.000 0.290 103 I C 0.596 176.766 176.117 0.089 0.000 1.050 103 I CA -0.226 61.106 61.300 0.054 0.000 1.245 103 I CB 0.867 38.885 38.000 0.030 0.000 1.405 103 I HN 0.667 nan 8.210 nan 0.000 0.478 104 A N 8.322 131.213 122.820 0.120 0.000 2.274 104 A HA 0.817 5.138 4.320 0.001 0.000 0.309 104 A C -0.418 177.212 177.584 0.076 0.000 1.226 104 A CA -0.423 51.712 52.037 0.163 0.000 0.853 104 A CB 0.660 19.818 19.000 0.264 0.000 1.146 104 A HN 0.682 nan 8.150 nan 0.000 0.518 105 L N 1.968 123.158 121.223 -0.056 0.000 2.385 105 L HA 0.796 5.137 4.340 0.001 0.000 0.273 105 L C 0.115 176.648 176.870 -0.561 0.000 0.990 105 L CA -0.401 54.204 54.840 -0.392 0.000 0.821 105 L CB 2.161 43.988 42.059 -0.387 0.000 1.279 105 L HN 0.788 nan 8.230 nan 0.000 0.412 106 A N 1.964 124.455 122.820 -0.548 0.000 2.449 106 A HA 0.912 5.233 4.320 0.001 0.000 0.302 106 A C -0.498 176.877 177.584 -0.349 0.000 1.048 106 A CA -0.427 51.381 52.037 -0.383 0.000 0.708 106 A CB 1.665 20.714 19.000 0.081 0.000 1.274 106 A HN 0.767 nan 8.150 nan 0.000 0.410 107 A N 0.655 123.332 122.820 -0.239 0.000 2.346 107 A HA 0.635 4.956 4.320 0.001 0.000 0.252 107 A C 0.122 177.680 177.584 -0.044 0.000 1.089 107 A CA 0.109 52.096 52.037 -0.084 0.000 0.797 107 A CB 0.580 19.618 19.000 0.063 0.000 1.047 107 A HN 1.123 nan 8.150 nan 0.000 0.494 108 Q N -0.343 119.438 119.800 -0.032 0.000 2.544 108 Q HA 0.546 4.887 4.340 0.001 0.000 0.291 108 Q C -0.444 175.537 176.000 -0.031 0.000 1.068 108 Q CA -0.355 55.431 55.803 -0.029 0.000 0.785 108 Q CB 1.669 30.379 28.738 -0.046 0.000 1.481 108 Q HN 0.748 nan 8.270 nan 0.000 0.430 109 S N 1.317 116.992 115.700 -0.042 0.000 2.569 109 S HA 0.073 4.544 4.470 0.001 0.000 0.274 109 S C -0.504 174.027 174.600 -0.116 0.000 1.353 109 S CA -0.216 57.947 58.200 -0.062 0.000 1.023 109 S CB 0.063 63.224 63.200 -0.066 0.000 0.876 109 S HN 0.539 nan 8.310 nan 0.000 0.540 110 E N 1.504 121.609 120.200 -0.158 0.000 2.481 110 E HA 0.009 4.360 4.350 0.001 0.000 0.263 110 E C 1.328 177.714 176.600 -0.357 0.000 0.992 110 E CA 0.451 56.700 56.400 -0.251 0.000 0.938 110 E CB 0.339 29.821 29.700 -0.362 0.000 0.933 110 E HN 0.641 nan 8.360 nan 0.000 0.453 111 S N 2.615 118.169 115.700 -0.243 0.000 2.383 111 S HA -0.295 4.176 4.470 0.001 0.000 0.229 111 S C 1.621 176.087 174.600 -0.224 0.000 1.030 111 S CA 1.800 59.892 58.200 -0.180 0.000 1.002 111 S CB -0.649 62.511 63.200 -0.067 0.000 0.829 111 S HN 0.771 nan 8.310 nan 0.000 0.467 112 H N -0.203 118.821 119.070 -0.078 0.000 2.547 112 H HA 0.372 4.928 4.556 0.001 0.000 0.272 112 H C 1.008 176.258 175.328 -0.129 0.000 0.989 112 H CA 1.047 57.050 56.048 -0.075 0.000 1.214 112 H CB -0.420 29.336 29.762 -0.009 0.000 1.389 112 H HN 0.463 nan 8.280 nan 0.000 0.577 113 D N 0.199 120.330 120.400 -0.448 0.000 2.501 113 D HA 0.159 4.800 4.640 0.001 0.000 0.224 113 D C -0.408 175.644 176.300 -0.413 0.000 1.202 113 D CA -0.291 53.544 54.000 -0.274 0.000 0.829 113 D CB -0.086 40.620 40.800 -0.157 0.000 1.023 113 D HN 0.370 nan 8.370 nan 0.000 0.499 114 I N 1.592 121.812 120.570 -0.582 0.000 2.389 114 I HA 0.116 4.287 4.170 0.001 0.000 0.295 114 I C -0.570 175.146 176.117 -0.667 0.000 1.117 114 I CA 0.075 61.111 61.300 -0.440 0.000 1.317 114 I CB -0.036 37.784 38.000 -0.299 0.000 1.431 114 I HN -0.074 nan 8.210 nan 0.000 0.521 115 F N 7.360 127.305 119.950 -0.008 0.000 2.691 115 F HA 0.388 4.916 4.527 0.001 0.000 0.371 115 F C -2.238 173.561 175.800 -0.002 0.000 1.159 115 F CA -2.820 55.180 58.000 -0.000 0.000 1.174 115 F CB 0.601 39.606 39.000 0.008 0.000 1.419 115 F HN 0.243 nan 8.300 nan 0.000 0.514 116 P HA 0.032 nan 4.420 nan 0.000 0.262 116 P C 0.160 177.502 177.300 0.070 0.000 1.182 116 P CA 0.730 63.865 63.100 0.058 0.000 0.761 116 P CB 0.415 32.132 31.700 0.029 0.000 0.795 117 N N 0.832 119.560 118.700 0.046 0.000 2.863 117 N HA -0.169 4.572 4.740 0.001 0.000 0.245 117 N C 0.200 175.740 175.510 0.050 0.000 1.001 117 N CA 1.382 54.454 53.050 0.037 0.000 0.901 117 N CB -1.406 37.096 38.487 0.026 0.000 1.124 117 N HN 0.521 nan 8.380 nan 0.000 0.582 118 D N -0.914 119.536 120.400 0.083 0.000 3.165 118 D HA 0.074 4.715 4.640 0.001 0.000 0.264 118 D C 0.184 176.550 176.300 0.111 0.000 1.363 118 D CA 0.594 54.643 54.000 0.081 0.000 1.166 118 D CB -0.249 40.592 40.800 0.067 0.000 1.291 118 D HN 0.010 nan 8.370 nan 0.000 0.390 119 T N 1.203 115.863 114.554 0.177 0.000 2.946 119 T HA -0.064 4.286 4.350 0.001 0.000 0.312 119 T C 0.257 175.041 174.700 0.139 0.000 1.066 119 T CA 0.367 62.577 62.100 0.182 0.000 1.138 119 T CB 0.194 69.183 68.868 0.201 0.000 1.014 119 T HN 0.113 nan 8.240 nan 0.000 0.544 120 H N 2.609 121.713 119.070 0.057 0.000 3.107 120 H HA 0.040 4.597 4.556 0.001 0.000 0.301 120 H C 1.046 176.394 175.328 0.034 0.000 0.981 120 H CA 0.935 57.007 56.048 0.040 0.000 1.443 120 H CB -0.016 29.768 29.762 0.037 0.000 1.479 120 H HN 0.786 nan 8.280 nan 0.000 0.564 121 Q N 1.623 121.186 119.800 -0.395 0.000 2.416 121 Q HA -0.257 4.084 4.340 0.001 0.000 0.235 121 Q C -0.618 175.315 176.000 -0.111 0.000 0.773 121 Q CA 1.021 56.644 55.803 -0.299 0.000 1.286 121 Q CB -1.714 26.815 28.738 -0.348 0.000 1.556 121 Q HN 0.623 nan 8.270 nan 0.000 0.650 122 C N 1.466 120.733 119.300 -0.054 0.000 2.239 122 C HA 0.656 5.117 4.460 0.001 0.000 0.325 122 C C 0.200 175.182 174.990 -0.013 0.000 1.231 122 C CA -0.510 58.497 59.018 -0.018 0.000 1.652 122 C CB -0.435 27.313 27.740 0.013 0.000 2.284 122 C HN 0.323 nan 8.230 nan 0.000 0.499 123 L N 4.193 125.405 121.223 -0.019 0.000 2.303 123 L HA 0.469 4.810 4.340 0.001 0.000 0.266 123 L C 0.031 176.893 176.870 -0.013 0.000 1.011 123 L CA -0.542 54.288 54.840 -0.016 0.000 0.818 123 L CB 1.102 43.145 42.059 -0.028 0.000 1.326 123 L HN 0.451 nan 8.230 nan 0.000 0.435 124 D N 0.229 120.620 120.400 -0.014 0.000 2.551 124 D HA 0.086 4.727 4.640 0.001 0.000 0.223 124 D C 0.868 177.158 176.300 -0.016 0.000 1.144 124 D CA 0.205 54.197 54.000 -0.013 0.000 1.025 124 D CB 0.675 41.468 40.800 -0.013 0.000 1.085 124 D HN 0.446 nan 8.370 nan 0.000 0.506 125 S N 0.952 116.657 115.700 0.008 0.000 2.370 125 S HA -0.139 4.331 4.470 0.001 0.000 0.226 125 S C 2.140 176.736 174.600 -0.007 0.000 1.033 125 S CA 0.731 58.937 58.200 0.009 0.000 1.011 125 S CB 0.074 63.376 63.200 0.170 0.000 0.852 125 S HN 0.441 nan 8.310 nan 0.000 0.457 126 V N 1.814 121.780 119.914 0.087 0.000 2.407 126 V HA -0.183 3.938 4.120 0.001 0.000 0.248 126 V C 2.579 178.663 176.094 -0.018 0.000 1.055 126 V CA 1.684 64.031 62.300 0.077 0.000 1.049 126 V CB -1.127 30.728 31.823 0.052 0.000 0.662 126 V HN 0.553 nan 8.190 nan 0.000 0.455 127 A N -0.385 122.417 122.820 -0.030 0.000 1.968 127 A HA -0.067 4.253 4.320 0.001 0.000 0.217 127 A C 2.149 179.695 177.584 -0.063 0.000 1.169 127 A CA 1.391 53.404 52.037 -0.041 0.000 0.638 127 A CB -0.433 18.549 19.000 -0.030 0.000 0.812 127 A HN 0.509 nan 8.150 nan 0.000 0.446 128 I N -0.688 119.830 120.570 -0.088 0.000 2.353 128 I HA -0.153 4.018 4.170 0.001 0.000 0.248 128 I C 1.952 177.976 176.117 -0.155 0.000 1.119 128 I CA 0.968 62.200 61.300 -0.113 0.000 1.417 128 I CB 0.022 37.948 38.000 -0.123 0.000 1.078 128 I HN 0.139 nan 8.210 nan 0.000 0.421 129 V N 0.318 120.096 119.914 -0.227 0.000 3.307 129 V HA 0.081 4.202 4.120 0.001 0.000 0.253 129 V C 2.493 178.497 176.094 -0.149 0.000 1.149 129 V CA 1.026 63.153 62.300 -0.289 0.000 1.112 129 V CB -0.142 31.262 31.823 -0.698 0.000 0.777 129 V HN 0.376 nan 8.190 nan 0.000 0.464 130 A N 1.367 124.131 122.820 -0.093 0.000 1.917 130 A HA -0.148 4.173 4.320 0.001 0.000 0.219 130 A C 0.431 177.995 177.584 -0.034 0.000 1.182 130 A CA 2.215 54.225 52.037 -0.045 0.000 0.633 130 A CB -1.788 17.189 19.000 -0.039 0.000 0.819 130 A HN 0.560 nan 8.150 nan 0.000 0.448 131 P HA -0.035 nan 4.420 nan 0.000 0.233 131 P C 0.972 178.258 177.300 -0.024 0.000 1.167 131 P CA 1.141 64.224 63.100 -0.028 0.000 0.770 131 P CB -0.107 31.574 31.700 -0.032 0.000 0.837 132 M N -2.824 116.755 119.600 -0.036 0.000 2.685 132 M HA 0.403 4.884 4.480 0.001 0.000 0.355 132 M C -0.388 175.904 176.300 -0.013 0.000 1.197 132 M CA -0.401 54.883 55.300 -0.027 0.000 0.947 132 M CB 0.505 33.080 32.600 -0.042 0.000 1.346 132 M HN -0.264 nan 8.290 nan 0.000 0.516 133 S N -1.449 114.253 115.700 0.004 0.000 2.638 133 S HA 0.576 5.047 4.470 0.001 0.000 0.274 133 S C 0.197 174.834 174.600 0.062 0.000 1.157 133 S CA -0.987 57.237 58.200 0.040 0.000 0.826 133 S CB 1.627 64.865 63.200 0.063 0.000 1.139 133 S HN 0.154 nan 8.310 nan 0.000 0.474 134 K N -0.366 120.091 120.400 0.094 0.000 2.243 134 K HA 0.212 4.533 4.320 0.001 0.000 0.201 134 K C -0.410 176.302 176.600 0.187 0.000 1.051 134 K CA 1.045 57.397 56.287 0.107 0.000 0.970 134 K CB -0.336 32.216 32.500 0.087 0.000 0.755 134 K HN 0.727 nan 8.250 nan 0.000 0.465 135 Y N -0.920 119.401 120.300 0.036 0.000 2.474 135 Y HA 0.431 4.982 4.550 0.001 0.000 0.326 135 Y C -2.090 173.859 175.900 0.082 0.000 1.160 135 Y CA -1.100 57.023 58.100 0.040 0.000 1.056 135 Y CB 1.561 40.034 38.460 0.021 0.000 1.330 135 Y HN -0.054 nan 8.280 nan 0.000 0.447 136 A N 4.825 127.442 122.820 -0.340 0.000 2.480 136 A HA 0.743 5.064 4.320 0.001 0.000 0.289 136 A C -2.269 175.118 177.584 -0.328 0.000 1.044 136 A CA -0.388 51.570 52.037 -0.131 0.000 0.761 136 A CB 1.315 20.355 19.000 0.066 0.000 1.289 136 A HN 1.188 nan 8.150 nan 0.000 0.401 137 V N 1.510 121.257 119.914 -0.279 0.000 3.120 137 V HA 0.675 4.795 4.120 0.001 0.000 0.303 137 V C -1.126 174.858 176.094 -0.183 0.000 1.238 137 V CA -0.470 61.666 62.300 -0.273 0.000 1.008 137 V CB 2.089 33.684 31.823 -0.379 0.000 1.064 137 V HN 1.007 nan 8.190 nan 0.000 0.434 138 E N 3.401 123.522 120.200 -0.132 0.000 2.171 138 E HA 0.468 4.819 4.350 0.001 0.000 0.271 138 E C -1.253 175.287 176.600 -0.101 0.000 0.916 138 E CA -0.828 55.501 56.400 -0.118 0.000 0.774 138 E CB 1.883 31.535 29.700 -0.080 0.000 1.128 138 E HN 0.658 nan 8.360 nan 0.000 0.403 139 L N 4.022 125.184 121.223 -0.103 0.000 2.453 139 L HA 0.045 4.386 4.340 0.001 0.000 0.272 139 L C 0.384 177.215 176.870 -0.064 0.000 1.182 139 L CA 1.067 55.861 54.840 -0.078 0.000 0.858 139 L CB 0.657 42.674 42.059 -0.071 0.000 1.120 139 L HN 0.750 nan 8.230 nan 0.000 0.474 140 Q N 3.429 123.194 119.800 -0.057 0.000 2.384 140 Q HA 0.309 4.650 4.340 0.001 0.000 0.264 140 Q C -0.235 175.747 176.000 -0.030 0.000 0.825 140 Q CA -0.023 55.754 55.803 -0.043 0.000 0.984 140 Q CB 0.980 29.694 28.738 -0.041 0.000 1.183 140 Q HN 0.576 nan 8.270 nan 0.000 0.537 141 R N 0.760 121.230 120.500 -0.050 0.000 2.451 141 R HA 0.250 4.591 4.340 0.001 0.000 0.307 141 R C -2.254 174.009 176.300 -0.061 0.000 0.965 141 R CA -1.809 54.270 56.100 -0.034 0.000 0.865 141 R CB 1.578 31.854 30.300 -0.041 0.000 1.174 141 R HN -0.131 nan 8.270 nan 0.000 0.455 142 P HA -0.282 nan 4.420 nan 0.000 0.216 142 P C 0.978 178.294 177.300 0.028 0.000 1.157 142 P CA 1.445 64.561 63.100 0.027 0.000 0.880 142 P CB 0.021 31.757 31.700 0.060 0.000 0.791 143 H N -0.363 118.718 119.070 0.018 0.000 2.521 143 H HA 0.018 4.575 4.556 0.001 0.000 0.286 143 H C 1.180 176.524 175.328 0.027 0.000 1.034 143 H CA 1.003 57.064 56.048 0.022 0.000 1.278 143 H CB -0.740 29.032 29.762 0.017 0.000 1.386 143 H HN 0.235 nan 8.280 nan 0.000 0.567 144 E N 0.334 120.202 120.200 -0.554 0.000 2.472 144 E HA -0.067 4.284 4.350 0.001 0.000 0.200 144 E C 1.798 178.332 176.600 -0.110 0.000 1.046 144 E CA 0.293 56.481 56.400 -0.354 0.000 0.871 144 E CB -0.041 29.456 29.700 -0.339 0.000 0.806 144 E HN 0.319 nan 8.360 nan 0.000 0.533 145 I N 0.986 121.523 120.570 -0.055 0.000 2.454 145 I HA -0.242 3.929 4.170 0.001 0.000 0.254 145 I C 1.898 178.030 176.117 0.025 0.000 1.156 145 I CA 1.561 62.859 61.300 -0.003 0.000 1.433 145 I CB -0.325 37.688 38.000 0.021 0.000 1.082 145 I HN -0.032 nan 8.210 nan 0.000 0.432 146 T N 0.758 115.335 114.554 0.038 0.000 2.708 146 T HA -0.197 4.154 4.350 0.001 0.000 0.266 146 T C 1.436 176.168 174.700 0.053 0.000 1.037 146 T CA 1.826 63.962 62.100 0.061 0.000 1.146 146 T CB -0.535 68.377 68.868 0.074 0.000 0.865 146 T HN 0.685 nan 8.240 nan 0.000 0.435 147 D N 1.119 121.539 120.400 0.032 0.000 2.219 147 D HA -0.041 4.600 4.640 0.001 0.000 0.205 147 D C 1.958 178.268 176.300 0.016 0.000 0.970 147 D CA 0.696 54.711 54.000 0.026 0.000 0.851 147 D CB -0.642 40.171 40.800 0.022 0.000 0.943 147 D HN 0.349 nan 8.370 nan 0.000 0.488 148 L N 0.126 121.364 121.223 0.024 0.000 2.072 148 L HA -0.069 4.271 4.340 0.001 0.000 0.205 148 L C 2.561 179.432 176.870 0.001 0.000 1.079 148 L CA 0.492 55.367 54.840 0.058 0.000 0.752 148 L CB -0.401 41.700 42.059 0.070 0.000 0.906 148 L HN 0.037 nan 8.230 nan 0.000 0.436 149 V N 0.143 120.058 119.914 0.002 0.000 2.332 149 V HA -0.311 3.809 4.120 0.001 0.000 0.248 149 V C 2.142 178.165 176.094 -0.118 0.000 1.055 149 V CA 1.989 64.271 62.300 -0.030 0.000 1.038 149 V CB -0.521 31.326 31.823 0.040 0.000 0.651 149 V HN 0.441 nan 8.190 nan 0.000 0.450 150 D N -0.161 120.215 120.400 -0.039 0.000 2.117 150 D HA -0.114 4.527 4.640 0.001 0.000 0.197 150 D C 2.447 178.643 176.300 -0.173 0.000 0.987 150 D CA 1.643 55.618 54.000 -0.040 0.000 0.829 150 D CB -0.290 40.549 40.800 0.064 0.000 0.961 150 D HN 0.370 nan 8.370 nan 0.000 0.460 151 S N 0.309 115.868 115.700 -0.235 0.000 2.383 151 S HA -0.093 4.377 4.470 0.001 0.000 0.227 151 S C 2.050 176.174 174.600 -0.794 0.000 1.026 151 S CA 0.965 58.898 58.200 -0.444 0.000 0.981 151 S CB -0.114 62.844 63.200 -0.402 0.000 0.818 151 S HN 0.359 nan 8.310 nan 0.000 0.472 152 A N 1.110 123.492 122.820 -0.731 0.000 1.873 152 A HA -0.028 4.293 4.320 0.001 0.000 0.215 152 A C 2.328 179.721 177.584 -0.319 0.000 1.186 152 A CA 1.410 53.118 52.037 -0.548 0.000 0.616 152 A CB -0.906 17.988 19.000 -0.177 0.000 0.823 152 A HN 0.333 nan 8.150 nan 0.000 0.442 153 V N 1.054 120.782 119.914 -0.310 0.000 2.295 153 V HA -0.278 3.843 4.120 0.001 0.000 0.246 153 V C 2.350 178.330 176.094 -0.191 0.000 1.049 153 V CA 2.164 64.296 62.300 -0.279 0.000 1.024 153 V CB -1.052 30.470 31.823 -0.502 0.000 0.648 153 V HN 0.544 nan 8.190 nan 0.000 0.447 154 N N 0.703 119.288 118.700 -0.192 0.000 2.061 154 N HA -0.188 4.553 4.740 0.001 0.000 0.193 154 N C 1.814 177.259 175.510 -0.109 0.000 1.030 154 N CA 1.980 54.954 53.050 -0.127 0.000 0.856 154 N CB -0.549 37.863 38.487 -0.124 0.000 1.023 154 N HN 0.520 nan 8.380 nan 0.000 0.424 155 A N 0.328 123.056 122.820 -0.154 0.000 1.970 155 A HA 0.225 4.546 4.320 0.001 0.000 0.216 155 A C 2.278 179.841 177.584 -0.036 0.000 1.170 155 A CA 1.481 53.474 52.037 -0.074 0.000 0.645 155 A CB -0.558 18.412 19.000 -0.051 0.000 0.816 155 A HN 0.312 nan 8.150 nan 0.000 0.447 156 A N -1.138 121.648 122.820 -0.058 0.000 1.969 156 A HA 0.028 4.349 4.320 0.001 0.000 0.218 156 A C 1.850 179.419 177.584 -0.026 0.000 1.169 156 A CA 1.492 53.512 52.037 -0.029 0.000 0.635 156 A CB -0.294 18.681 19.000 -0.041 0.000 0.810 156 A HN 0.378 nan 8.150 nan 0.000 0.445 157 M N 0.719 120.297 119.600 -0.037 0.000 2.453 157 M HA 0.114 4.595 4.480 0.001 0.000 0.239 157 M C -0.318 175.974 176.300 -0.015 0.000 1.151 157 M CA 0.494 55.782 55.300 -0.021 0.000 0.989 157 M CB -0.689 31.898 32.600 -0.021 0.000 1.548 157 M HN 0.132 nan 8.290 nan 0.000 0.479 158 T N 1.454 115.999 114.554 -0.015 0.000 2.799 158 T HA 0.243 4.594 4.350 0.001 0.000 0.286 158 T C 0.444 175.142 174.700 -0.004 0.000 0.973 158 T CA -0.576 61.519 62.100 -0.009 0.000 1.035 158 T CB 1.659 70.522 68.868 -0.008 0.000 0.932 158 T HN 0.109 nan 8.240 nan 0.000 0.469 159 E N 3.590 123.786 120.200 -0.006 0.000 2.392 159 E HA 0.166 4.517 4.350 0.001 0.000 0.264 159 E C -2.212 174.388 176.600 -0.001 0.000 1.024 159 E CA -1.883 54.514 56.400 -0.004 0.000 0.903 159 E CB 0.355 30.049 29.700 -0.011 0.000 0.963 159 E HN 0.349 nan 8.360 nan 0.000 0.432 160 P HA 0.015 nan 4.420 nan 0.000 0.276 160 P C -0.101 177.202 177.300 0.006 0.000 1.243 160 P CA -0.373 62.730 63.100 0.004 0.000 0.768 160 P CB 0.471 32.175 31.700 0.007 0.000 0.856 161 V N 1.543 121.459 119.914 0.004 0.000 2.872 161 V HA 0.689 4.810 4.120 0.001 0.000 0.307 161 V C 0.601 176.698 176.094 0.004 0.000 1.072 161 V CA 0.508 62.809 62.300 0.003 0.000 1.148 161 V CB -0.047 31.777 31.823 0.002 0.000 0.954 161 V HN 0.865 nan 8.190 nan 0.000 0.490 162 G N 3.291 112.096 108.800 0.007 0.000 2.428 162 G HA2 0.601 4.562 3.960 0.001 0.000 0.304 162 G HA3 0.601 4.562 3.960 0.001 0.000 0.304 162 G C -3.493 171.421 174.900 0.023 0.000 1.303 162 G CA -0.563 44.545 45.100 0.013 0.000 0.825 162 G HN 0.732 nan 8.290 nan 0.000 0.484 163 P HA 0.477 nan 4.420 nan 0.000 0.284 163 P C -0.682 176.679 177.300 0.102 0.000 1.253 163 P CA -0.145 62.991 63.100 0.059 0.000 0.800 163 P CB 1.809 33.544 31.700 0.059 0.000 0.961 164 S N 1.867 117.643 115.700 0.127 0.000 2.513 164 S HA 0.640 5.111 4.470 0.001 0.000 0.299 164 S C -1.030 173.729 174.600 0.263 0.000 1.087 164 S CA -0.330 58.000 58.200 0.218 0.000 1.012 164 S CB 0.740 64.029 63.200 0.149 0.000 1.044 164 S HN 0.444 nan 8.310 nan 0.000 0.485 165 F N 3.084 123.111 119.950 0.127 0.000 2.529 165 F HA 0.696 5.224 4.527 0.002 0.000 0.320 165 F C -1.431 174.384 175.800 0.026 0.000 1.118 165 F CA -0.992 57.029 58.000 0.036 0.000 0.915 165 F CB 0.722 39.713 39.000 -0.016 0.000 1.161 165 F HN 0.443 nan 8.300 nan 0.000 0.445 166 I N 4.824 124.862 120.570 -0.886 0.000 2.439 166 I HA 0.261 4.431 4.170 0.001 0.000 0.285 166 I C -0.410 175.034 176.117 -1.121 0.000 1.021 166 I CA -0.802 60.046 61.300 -0.753 0.000 1.091 166 I CB 1.833 39.648 38.000 -0.308 0.000 1.242 166 I HN 0.509 nan 8.210 nan 0.000 0.439 167 S N 7.049 122.223 115.700 -0.876 0.000 2.513 167 S HA 0.634 5.105 4.470 0.001 0.000 0.276 167 S C -0.496 173.939 174.600 -0.275 0.000 1.254 167 S CA -0.392 57.520 58.200 -0.480 0.000 1.053 167 S CB 0.313 63.417 63.200 -0.159 0.000 0.958 167 S HN 0.472 nan 8.310 nan 0.000 0.491 168 L N 6.885 127.977 121.223 -0.217 0.000 2.417 168 L HA 0.389 4.730 4.340 0.001 0.000 0.259 168 L C -2.449 174.381 176.870 -0.066 0.000 1.023 168 L CA -2.041 52.722 54.840 -0.129 0.000 0.901 168 L CB 1.536 43.521 42.059 -0.124 0.000 1.227 168 L HN 0.432 nan 8.230 nan 0.000 0.454 169 P HA -0.033 nan 4.420 nan 0.000 0.264 169 P C 1.201 178.492 177.300 -0.015 0.000 1.183 169 P CA 0.088 63.158 63.100 -0.049 0.000 0.763 169 P CB 1.110 32.770 31.700 -0.065 0.000 0.807 170 V N 3.346 123.258 119.914 -0.003 0.000 2.332 170 V HA -0.259 3.862 4.120 0.001 0.000 0.248 170 V C 2.052 178.162 176.094 0.026 0.000 1.055 170 V CA 2.509 64.826 62.300 0.029 0.000 1.038 170 V CB -1.062 30.782 31.823 0.035 0.000 0.651 170 V HN 0.674 nan 8.190 nan 0.000 0.450 171 D N 0.268 120.678 120.400 0.017 0.000 2.117 171 D HA -0.205 4.436 4.640 0.001 0.000 0.197 171 D C 1.965 178.285 176.300 0.032 0.000 0.987 171 D CA 1.536 55.559 54.000 0.037 0.000 0.829 171 D CB -0.520 40.320 40.800 0.067 0.000 0.961 171 D HN 0.450 nan 8.370 nan 0.000 0.460 172 L N -0.554 120.681 121.223 0.020 0.000 2.179 172 L HA -0.003 4.338 4.340 0.001 0.000 0.208 172 L C 2.571 179.455 176.870 0.023 0.000 1.096 172 L CA 0.133 54.985 54.840 0.019 0.000 0.779 172 L CB -0.325 41.736 42.059 0.003 0.000 0.922 172 L HN 0.033 nan 8.230 nan 0.000 0.443 173 L N 0.434 121.674 121.223 0.027 0.000 2.131 173 L HA -0.059 4.282 4.340 0.001 0.000 0.210 173 L C 2.035 178.922 176.870 0.029 0.000 1.092 173 L CA 1.825 56.690 54.840 0.042 0.000 0.759 173 L CB -0.753 41.350 42.059 0.075 0.000 0.903 173 L HN 0.124 nan 8.230 nan 0.000 0.435 174 G N -1.708 107.106 108.800 0.023 0.000 3.141 174 G HA2 0.067 4.028 3.960 0.001 0.000 0.218 174 G HA3 0.067 4.028 3.960 0.001 0.000 0.218 174 G C 0.456 175.364 174.900 0.013 0.000 1.170 174 G CA 0.499 45.606 45.100 0.011 0.000 0.769 174 G HN 0.364 nan 8.290 nan 0.000 0.546 175 S N -0.201 115.512 115.700 0.021 0.000 2.565 175 S HA 0.462 4.933 4.470 0.001 0.000 0.290 175 S C 1.282 175.895 174.600 0.022 0.000 1.150 175 S CA 0.179 58.393 58.200 0.023 0.000 1.058 175 S CB 1.568 64.786 63.200 0.030 0.000 1.032 175 S HN 0.251 nan 8.310 nan 0.000 0.510 176 S N 1.928 117.637 115.700 0.016 0.000 2.539 176 S HA 0.260 4.731 4.470 0.001 0.000 0.221 176 S C 0.269 174.879 174.600 0.017 0.000 0.987 176 S CA -0.457 57.750 58.200 0.011 0.000 0.929 176 S CB -0.299 62.896 63.200 -0.009 0.000 0.832 176 S HN 0.823 nan 8.310 nan 0.000 0.492 177 E N 1.418 121.635 120.200 0.028 0.000 2.480 177 E HA 0.323 4.674 4.350 0.001 0.000 0.258 177 E C 1.227 177.859 176.600 0.053 0.000 0.984 177 E CA 0.981 57.401 56.400 0.033 0.000 0.930 177 E CB -0.228 29.497 29.700 0.041 0.000 0.936 177 E HN 0.549 nan 8.360 nan 0.000 0.466 178 G N 4.058 112.865 108.800 0.011 0.000 2.184 178 G HA2 -0.293 3.668 3.960 0.001 0.000 0.264 178 G HA3 -0.293 3.668 3.960 0.001 0.000 0.264 178 G C 0.216 175.084 174.900 -0.053 0.000 0.975 178 G CA 0.247 45.317 45.100 -0.050 0.000 0.642 178 G HN 0.552 nan 8.290 nan 0.000 0.536 179 I N 1.892 122.466 120.570 0.006 0.000 2.321 179 I HA 0.566 4.736 4.170 0.001 0.000 0.291 179 I C 0.316 176.421 176.117 -0.019 0.000 0.998 179 I CA 0.426 61.737 61.300 0.019 0.000 1.227 179 I CB 1.330 39.353 38.000 0.038 0.000 1.368 179 I HN 0.263 nan 8.210 nan 0.000 0.466 180 D N 4.205 124.591 120.400 -0.023 0.000 2.505 180 D HA 0.756 5.397 4.640 0.001 0.000 0.249 180 D C 0.124 176.408 176.300 -0.027 0.000 1.082 180 D CA -0.062 53.919 54.000 -0.032 0.000 0.839 180 D CB 1.793 42.571 40.800 -0.038 0.000 1.317 180 D HN 0.701 nan 8.370 nan 0.000 0.497 185 N N 3.296 122.008 118.700 0.020 0.000 2.520 185 N HA 0.381 5.122 4.740 0.001 0.000 0.273 185 N C -1.790 173.724 175.510 0.007 0.000 1.155 185 N CA -0.726 52.336 53.050 0.020 0.000 0.967 185 N CB 0.593 39.093 38.487 0.023 0.000 1.092 185 N HN 0.343 nan 8.380 nan 0.000 0.457 186 P HA 0.295 nan 4.420 nan 0.000 0.272 186 P C -2.536 174.754 177.300 -0.017 0.000 1.230 186 P CA -0.926 62.175 63.100 0.002 0.000 0.788 186 P CB -0.459 31.248 31.700 0.012 0.000 0.949 187 P HA 0.046 nan 4.420 nan 0.000 0.268 187 P C 0.403 177.662 177.300 -0.068 0.000 1.208 187 P CA -0.035 63.041 63.100 -0.041 0.000 0.777 187 P CB 0.337 32.023 31.700 -0.024 0.000 0.875 188 A N 2.276 125.017 122.820 -0.132 0.000 1.935 188 A HA -0.060 4.261 4.320 0.001 0.000 0.214 188 A C 0.693 178.226 177.584 -0.086 0.000 1.178 188 A CA 0.548 52.436 52.037 -0.248 0.000 0.640 188 A CB -0.950 17.715 19.000 -0.559 0.000 0.825 188 A HN 0.634 nan 8.150 nan 0.000 0.447 189 N N 0.601 119.275 118.700 -0.044 0.000 2.716 189 N HA -0.117 4.624 4.740 0.001 0.000 0.250 189 N C -0.578 174.966 175.510 0.057 0.000 1.033 189 N CA 1.345 54.401 53.050 0.011 0.000 0.727 189 N CB -2.134 36.365 38.487 0.020 0.000 0.950 189 N HN 0.480 nan 8.380 nan 0.000 0.541 190 T N 1.840 116.439 114.554 0.075 0.000 2.829 190 T HA 0.203 4.554 4.350 0.001 0.000 0.293 190 T C -1.721 173.026 174.700 0.079 0.000 0.970 190 T CA -0.571 61.619 62.100 0.151 0.000 1.168 190 T CB 0.551 69.528 68.868 0.182 0.000 0.911 190 T HN 0.089 nan 8.240 nan 0.000 0.535 191 P HA 0.258 nan 4.420 nan 0.000 0.268 191 P C 0.397 177.720 177.300 0.037 0.000 1.204 191 P CA -0.334 62.788 63.100 0.038 0.000 0.768 191 P CB 0.532 32.247 31.700 0.025 0.000 0.842 192 A N 3.625 126.464 122.820 0.032 0.000 2.016 192 A HA -0.024 4.297 4.320 0.001 0.000 0.217 192 A C 0.841 178.443 177.584 0.030 0.000 1.162 192 A CA 1.237 53.293 52.037 0.032 0.000 0.662 192 A CB -0.496 18.520 19.000 0.028 0.000 0.812 192 A HN 0.665 nan 8.150 nan 0.000 0.450 193 K N -1.218 119.197 120.400 0.025 0.000 2.512 193 K HA 0.590 4.911 4.320 0.001 0.000 0.263 193 K C -3.424 173.185 176.600 0.016 0.000 0.966 193 K CA -2.136 54.165 56.287 0.024 0.000 0.851 193 K CB 1.135 33.649 32.500 0.023 0.000 1.395 193 K HN -0.225 nan 8.250 nan 0.000 0.440 194 P HA -0.047 nan 4.420 nan 0.000 0.265 194 P C -0.584 176.715 177.300 -0.002 0.000 1.187 194 P CA -0.401 62.702 63.100 0.005 0.000 0.766 194 P CB 0.456 32.159 31.700 0.005 0.000 0.820 195 V N 2.739 122.650 119.914 -0.005 0.000 2.715 195 V HA 0.477 4.598 4.120 0.001 0.000 0.299 195 V C 1.128 177.211 176.094 -0.017 0.000 1.054 195 V CA 0.763 63.057 62.300 -0.010 0.000 1.077 195 V CB 0.607 32.425 31.823 -0.007 0.000 0.972 195 V HN 0.833 nan 8.190 nan 0.000 0.484 196 G N 2.264 111.047 108.800 -0.028 0.000 2.730 196 G HA2 0.709 4.670 3.960 0.001 0.000 0.289 196 G HA3 0.709 4.670 3.960 0.001 0.000 0.289 196 G C -0.854 174.019 174.900 -0.044 0.000 1.341 196 G CA -0.364 44.712 45.100 -0.040 0.000 0.932 196 G HN 0.936 nan 8.290 nan 0.000 0.481 197 V N -2.111 117.773 119.914 -0.050 0.000 2.716 197 V HA 0.856 4.976 4.120 0.001 0.000 0.304 197 V C -0.434 175.612 176.094 -0.080 0.000 1.053 197 V CA -0.917 61.355 62.300 -0.046 0.000 0.984 197 V CB 1.453 33.260 31.823 -0.027 0.000 1.021 197 V HN 0.574 nan 8.190 nan 0.000 0.467 198 V N 2.765 122.645 119.914 -0.057 0.000 2.569 198 V HA 0.774 4.895 4.120 0.001 0.000 0.301 198 V C 0.439 176.551 176.094 0.031 0.000 1.044 198 V CA -0.153 62.100 62.300 -0.079 0.000 0.874 198 V CB 1.372 33.148 31.823 -0.079 0.000 1.002 198 V HN 1.399 nan 8.190 nan 0.000 0.424 199 A N 2.783 125.646 122.820 0.072 0.000 2.354 199 A HA 0.531 4.852 4.320 0.001 0.000 0.269 199 A C -0.009 177.705 177.584 0.216 0.000 1.109 199 A CA -0.262 51.846 52.037 0.118 0.000 0.800 199 A CB 0.300 19.356 19.000 0.095 0.000 1.045 199 A HN 0.953 nan 8.150 nan 0.000 0.489 200 D N 1.290 121.769 120.400 0.132 0.000 2.493 200 D HA 0.354 4.995 4.640 0.001 0.000 0.240 200 D C 1.367 177.709 176.300 0.070 0.000 1.142 200 D CA 1.954 56.014 54.000 0.100 0.000 0.872 200 D CB 0.224 41.056 40.800 0.052 0.000 1.173 200 D HN 1.231 nan 8.370 nan 0.000 0.467 201 G N 3.864 112.662 108.800 -0.003 0.000 2.160 201 G HA2 -0.275 3.686 3.960 0.001 0.000 0.251 201 G HA3 -0.275 3.686 3.960 0.001 0.000 0.251 201 G C 1.026 175.905 174.900 -0.035 0.000 1.008 201 G CA 0.508 45.569 45.100 -0.065 0.000 0.724 201 G HN 0.732 nan 8.290 nan 0.000 0.514 202 W N -0.284 120.997 121.300 -0.033 0.000 2.392 202 W HA -0.085 4.576 4.660 0.001 0.000 0.279 202 W C 1.396 177.885 176.519 -0.050 0.000 1.225 202 W CA 1.287 58.613 57.345 -0.032 0.000 1.233 202 W CB -0.591 28.852 29.460 -0.029 0.000 1.122 202 W HN 0.410 nan 8.180 nan 0.000 0.561 203 Q N 1.398 120.650 119.800 -0.912 0.000 2.046 203 Q HA -0.158 4.183 4.340 0.001 0.000 0.200 203 Q C 2.405 178.217 176.000 -0.314 0.000 0.975 203 Q CA 2.400 57.573 55.803 -1.050 0.000 0.836 203 Q CB -0.627 27.445 28.738 -1.109 0.000 0.896 203 Q HN 0.269 nan 8.270 nan 0.000 0.428 204 K N 0.179 120.463 120.400 -0.194 0.000 2.063 204 K HA -0.175 4.146 4.320 0.001 0.000 0.208 204 K C 1.958 178.583 176.600 0.041 0.000 1.048 204 K CA 1.329 57.591 56.287 -0.041 0.000 0.928 204 K CB -0.200 32.275 32.500 -0.041 0.000 0.713 204 K HN 0.222 nan 8.250 nan 0.000 0.442 205 A N 1.026 123.881 122.820 0.059 0.000 1.902 205 A HA -0.095 4.226 4.320 0.001 0.000 0.217 205 A C 2.324 180.033 177.584 0.208 0.000 1.181 205 A CA 1.861 53.968 52.037 0.117 0.000 0.623 205 A CB -0.768 18.303 19.000 0.117 0.000 0.818 205 A HN 0.491 nan 8.150 nan 0.000 0.443 206 A N -0.061 122.938 122.820 0.300 0.000 1.972 206 A HA -0.178 4.143 4.320 0.001 0.000 0.219 206 A C 1.709 179.579 177.584 0.477 0.000 1.169 206 A CA 1.873 54.229 52.037 0.532 0.000 0.635 206 A CB -0.515 18.893 19.000 0.680 0.000 0.810 206 A HN 0.477 nan 8.150 nan 0.000 0.446 207 D N -0.387 120.194 120.400 0.301 0.000 2.144 207 D HA -0.124 4.517 4.640 0.001 0.000 0.200 207 D C 2.144 178.563 176.300 0.199 0.000 0.978 207 D CA 1.332 55.462 54.000 0.218 0.000 0.833 207 D CB -0.406 40.477 40.800 0.138 0.000 0.961 207 D HN 0.625 nan 8.370 nan 0.000 0.470 208 Q N 0.273 120.179 119.800 0.178 0.000 2.167 208 Q HA -0.018 4.323 4.340 0.001 0.000 0.202 208 Q C 2.134 178.252 176.000 0.197 0.000 0.970 208 Q CA 1.243 57.135 55.803 0.148 0.000 0.855 208 Q CB -0.031 28.770 28.738 0.104 0.000 0.911 208 Q HN 0.208 nan 8.270 nan 0.000 0.438 209 A N 1.008 123.997 122.820 0.282 0.000 1.930 209 A HA -0.056 4.265 4.320 0.001 0.000 0.217 209 A C 2.294 180.185 177.584 0.513 0.000 1.175 209 A CA 1.345 53.598 52.037 0.360 0.000 0.627 209 A CB -0.699 18.529 19.000 0.380 0.000 0.815 209 A HN 0.380 nan 8.150 nan 0.000 0.443 210 A N 0.100 123.239 122.820 0.533 0.000 1.908 210 A HA 0.100 4.420 4.320 0.001 0.000 0.218 210 A C 2.498 180.267 177.584 0.307 0.000 1.181 210 A CA 2.201 54.385 52.037 0.244 0.000 0.627 210 A CB -1.033 17.927 19.000 -0.066 0.000 0.818 210 A HN 1.070 nan 8.150 nan 0.000 0.445 211 A N -0.336 122.623 122.820 0.231 0.000 1.933 211 A HA -0.045 4.276 4.320 0.001 0.000 0.218 211 A C 2.163 179.819 177.584 0.120 0.000 1.175 211 A CA 1.533 53.663 52.037 0.154 0.000 0.628 211 A CB -0.582 18.481 19.000 0.105 0.000 0.814 211 A HN 0.490 nan 8.150 nan 0.000 0.444 212 L N -1.170 120.144 121.223 0.150 0.000 2.093 212 L HA -0.136 4.205 4.340 0.001 0.000 0.208 212 L C 2.509 179.457 176.870 0.130 0.000 1.085 212 L CA 0.938 55.848 54.840 0.117 0.000 0.755 212 L CB -0.552 41.577 42.059 0.117 0.000 0.904 212 L HN 0.441 nan 8.230 nan 0.000 0.435 213 L N 0.448 121.808 121.223 0.229 0.000 2.042 213 L HA -0.176 4.164 4.340 0.001 0.000 0.210 213 L C 2.635 179.577 176.870 0.120 0.000 1.076 213 L CA 2.028 57.017 54.840 0.249 0.000 0.749 213 L CB -0.731 41.579 42.059 0.418 0.000 0.893 213 L HN 0.158 nan 8.230 nan 0.000 0.432 214 A N -0.583 122.246 122.820 0.015 0.000 1.902 214 A HA -0.170 4.150 4.320 0.001 0.000 0.217 214 A C 2.293 179.746 177.584 -0.218 0.000 1.181 214 A CA 2.044 53.850 52.037 -0.386 0.000 0.623 214 A CB -1.141 17.501 19.000 -0.596 0.000 0.818 214 A HN 0.542 nan 8.150 nan 0.000 0.443 215 E N -0.514 119.624 120.200 -0.104 0.000 2.427 215 E HA 0.483 4.834 4.350 0.001 0.000 0.196 215 E C 0.881 177.447 176.600 -0.057 0.000 1.028 215 E CA 0.722 57.077 56.400 -0.074 0.000 0.864 215 E CB -0.726 28.952 29.700 -0.036 0.000 0.813 215 E HN 1.020 nan 8.360 nan 0.000 0.514 216 A N -0.530 122.266 122.820 -0.040 0.000 2.310 216 A HA 0.614 4.935 4.320 0.001 0.000 0.299 216 A C 1.564 179.088 177.584 -0.100 0.000 1.147 216 A CA 0.375 52.389 52.037 -0.039 0.000 0.818 216 A CB 1.001 20.007 19.000 0.010 0.000 1.096 216 A HN 0.493 nan 8.150 nan 0.000 0.495 217 K N 0.662 120.956 120.400 -0.177 0.000 2.211 217 K HA 0.087 4.408 4.320 0.001 0.000 0.201 217 K C 0.474 176.701 176.600 -0.620 0.000 1.052 217 K CA 1.339 57.377 56.287 -0.415 0.000 0.973 217 K CB -0.148 32.045 32.500 -0.512 0.000 0.766 217 K HN 0.842 nan 8.250 nan 0.000 0.466 218 H N 0.329 119.412 119.070 0.021 0.000 2.488 218 H HA 0.284 4.841 4.556 0.001 0.000 0.237 218 H C -2.952 172.376 175.328 0.000 0.000 1.395 218 H CA -2.502 53.556 56.048 0.017 0.000 1.491 218 H CB 1.040 30.780 29.762 -0.037 0.000 1.567 218 H HN 0.275 nan 8.280 nan 0.000 0.508 219 P HA 0.172 nan 4.420 nan 0.000 0.276 219 P C 0.043 177.387 177.300 0.073 0.000 1.244 219 P CA -0.467 62.681 63.100 0.080 0.000 0.801 219 P CB 2.218 33.976 31.700 0.097 0.000 1.006 220 V N -0.591 119.351 119.914 0.047 0.000 2.876 220 V HA 0.542 4.663 4.120 0.001 0.000 0.312 220 V C -0.608 175.486 176.094 -0.000 0.000 1.085 220 V CA -1.166 61.151 62.300 0.028 0.000 0.945 220 V CB 1.812 33.684 31.823 0.083 0.000 1.017 220 V HN 0.259 nan 8.190 nan 0.000 0.428 221 L N 3.603 124.819 121.223 -0.012 0.000 2.257 221 L HA 0.562 4.903 4.340 0.001 0.000 0.290 221 L C -0.433 176.433 176.870 -0.007 0.000 1.044 221 L CA -0.638 54.191 54.840 -0.018 0.000 0.810 221 L CB 1.552 43.606 42.059 -0.008 0.000 1.193 221 L HN 0.544 nan 8.230 nan 0.000 0.425 222 V N 5.074 124.978 119.914 -0.017 0.000 2.348 222 V HA 0.280 4.400 4.120 0.001 0.000 0.270 222 V C 0.208 176.321 176.094 0.031 0.000 1.037 222 V CA -0.485 61.833 62.300 0.030 0.000 0.872 222 V CB 1.693 33.526 31.823 0.016 0.000 1.002 222 V HN 0.411 nan 8.190 nan 0.000 0.464 223 V N 4.626 124.565 119.914 0.041 0.000 2.435 223 V HA 0.802 4.923 4.120 0.001 0.000 0.290 223 V C 0.747 176.862 176.094 0.034 0.000 1.030 223 V CA -0.170 62.146 62.300 0.027 0.000 0.881 223 V CB 1.579 33.407 31.823 0.008 0.000 0.983 223 V HN 0.900 nan 8.190 nan 0.000 0.445 224 G N 2.023 110.836 108.800 0.022 0.000 2.667 224 G HA2 0.578 4.539 3.960 0.001 0.000 0.310 224 G HA3 0.578 4.539 3.960 0.001 0.000 0.310 224 G C 0.844 175.754 174.900 0.017 0.000 1.259 224 G CA -0.012 45.092 45.100 0.006 0.000 1.019 224 G HN 0.897 nan 8.290 nan 0.000 0.496 225 A N -0.398 122.448 122.820 0.043 0.000 2.019 225 A HA 0.187 4.508 4.320 0.001 0.000 0.219 225 A C 2.634 180.271 177.584 0.089 0.000 1.164 225 A CA 2.366 54.469 52.037 0.109 0.000 0.644 225 A CB -0.729 18.397 19.000 0.211 0.000 0.805 225 A HN 1.371 nan 8.150 nan 0.000 0.449 226 A N -0.045 122.802 122.820 0.045 0.000 2.024 226 A HA 0.105 4.426 4.320 0.001 0.000 0.220 226 A C 2.418 180.014 177.584 0.020 0.000 1.164 226 A CA 1.967 54.023 52.037 0.032 0.000 0.643 226 A CB -0.852 18.152 19.000 0.007 0.000 0.806 226 A HN 1.067 nan 8.150 nan 0.000 0.451 227 A N -0.074 122.752 122.820 0.009 0.000 1.933 227 A HA -0.074 4.247 4.320 0.001 0.000 0.218 227 A C 2.074 179.653 177.584 -0.010 0.000 1.175 227 A CA 1.527 53.563 52.037 -0.000 0.000 0.628 227 A CB -0.532 18.466 19.000 -0.004 0.000 0.814 227 A HN 0.533 nan 8.150 nan 0.000 0.444 228 I N -1.223 119.332 120.570 -0.025 0.000 2.233 228 I HA -0.203 3.968 4.170 0.001 0.000 0.243 228 I C 2.668 178.797 176.117 0.019 0.000 1.093 228 I CA 1.003 62.261 61.300 -0.070 0.000 1.380 228 I CB -0.379 37.457 38.000 -0.272 0.000 1.067 228 I HN 0.235 nan 8.210 nan 0.000 0.413 229 R N 0.161 120.714 120.500 0.089 0.000 2.139 229 R HA -0.176 4.165 4.340 0.001 0.000 0.243 229 R C 2.430 178.759 176.300 0.048 0.000 1.145 229 R CA 1.608 57.764 56.100 0.094 0.000 0.976 229 R CB -0.441 29.912 30.300 0.088 0.000 0.866 229 R HN 0.237 nan 8.270 nan 0.000 0.449 230 S N -0.889 114.827 115.700 0.026 0.000 2.481 230 S HA 0.003 4.474 4.470 0.001 0.000 0.231 230 S C 1.093 175.701 174.600 0.014 0.000 0.996 230 S CA 0.919 59.126 58.200 0.013 0.000 0.942 230 S CB 0.071 63.272 63.200 0.002 0.000 0.768 230 S HN 0.663 nan 8.310 nan 0.000 0.520 231 G N 0.112 108.920 108.800 0.014 0.000 2.149 231 G HA2 -0.177 3.784 3.960 0.001 0.000 0.235 231 G HA3 -0.177 3.784 3.960 0.001 0.000 0.235 231 G C 0.432 175.337 174.900 0.007 0.000 1.018 231 G CA 0.218 45.324 45.100 0.011 0.000 0.728 231 G HN 0.845 nan 8.290 nan 0.000 0.508 232 A N -0.826 121.997 122.820 0.004 0.000 2.345 232 A HA 0.652 4.973 4.320 0.001 0.000 0.225 232 A C 2.149 179.735 177.584 0.004 0.000 1.243 232 A CA 1.359 53.404 52.037 0.012 0.000 0.875 232 A CB 0.168 19.184 19.000 0.025 0.000 0.929 232 A HN 0.906 nan 8.150 nan 0.000 0.502 233 V N 1.049 120.955 119.914 -0.014 0.000 2.244 233 V HA -0.136 3.985 4.120 0.001 0.000 0.244 233 V C -0.123 175.966 176.094 -0.007 0.000 1.042 233 V CA 2.503 64.789 62.300 -0.024 0.000 1.006 233 V CB -1.369 30.423 31.823 -0.052 0.000 0.641 233 V HN 0.356 nan 8.190 nan 0.000 0.446 234 P HA -0.181 nan 4.420 nan 0.000 0.216 234 P C 1.608 178.917 177.300 0.015 0.000 1.153 234 P CA 2.146 65.252 63.100 0.010 0.000 0.858 234 P CB -0.164 31.543 31.700 0.011 0.000 0.789 235 A N -1.215 121.614 122.820 0.015 0.000 1.969 235 A HA -0.121 4.200 4.320 0.001 0.000 0.218 235 A C 2.207 179.806 177.584 0.025 0.000 1.169 235 A CA 1.164 53.213 52.037 0.020 0.000 0.635 235 A CB -1.451 17.563 19.000 0.023 0.000 0.810 235 A HN 0.124 nan 8.150 nan 0.000 0.445 236 I N -1.115 119.469 120.570 0.024 0.000 2.286 236 I HA -0.191 3.979 4.170 0.001 0.000 0.245 236 I C 2.656 178.780 176.117 0.011 0.000 1.104 236 I CA 1.411 62.727 61.300 0.026 0.000 1.397 236 I CB -0.216 37.794 38.000 0.017 0.000 1.072 236 I HN 0.370 nan 8.210 nan 0.000 0.417 237 R N 1.305 121.806 120.500 0.001 0.000 2.073 237 R HA -0.192 4.149 4.340 0.001 0.000 0.234 237 R C 2.357 178.670 176.300 0.023 0.000 1.134 237 R CA 1.770 57.867 56.100 -0.006 0.000 0.952 237 R CB -0.321 29.987 30.300 0.013 0.000 0.850 237 R HN 0.330 nan 8.270 nan 0.000 0.433 238 A N 1.097 123.935 122.820 0.029 0.000 1.902 238 A HA -0.168 4.153 4.320 0.001 0.000 0.217 238 A C 2.078 179.679 177.584 0.029 0.000 1.181 238 A CA 1.415 53.471 52.037 0.032 0.000 0.623 238 A CB -0.644 18.369 19.000 0.022 0.000 0.818 238 A HN 0.430 nan 8.150 nan 0.000 0.443 239 L N -0.381 120.861 121.223 0.031 0.000 2.046 239 L HA -0.043 4.297 4.340 0.001 0.000 0.208 239 L C 2.625 179.525 176.870 0.049 0.000 1.077 239 L CA 2.258 57.124 54.840 0.044 0.000 0.747 239 L CB -0.641 41.468 42.059 0.083 0.000 0.896 239 L HN 0.318 nan 8.230 nan 0.000 0.432 240 A N -0.903 121.938 122.820 0.034 0.000 1.898 240 A HA -0.181 4.140 4.320 0.001 0.000 0.216 240 A C 2.167 179.766 177.584 0.025 0.000 1.181 240 A CA 1.600 53.646 52.037 0.015 0.000 0.620 240 A CB -0.604 18.372 19.000 -0.039 0.000 0.819 240 A HN 0.585 nan 8.150 nan 0.000 0.442 241 E N -0.704 119.521 120.200 0.042 0.000 2.051 241 E HA -0.221 4.130 4.350 0.001 0.000 0.192 241 E C 2.305 178.943 176.600 0.063 0.000 0.991 241 E CA 1.322 57.772 56.400 0.083 0.000 0.799 241 E CB -0.186 29.583 29.700 0.115 0.000 0.748 241 E HN 0.605 nan 8.360 nan 0.000 0.449 242 R N 0.747 121.275 120.500 0.046 0.000 2.083 242 R HA -0.127 4.214 4.340 0.001 0.000 0.237 242 R C 1.766 178.091 176.300 0.041 0.000 1.137 242 R CA 1.301 57.421 56.100 0.034 0.000 0.951 242 R CB -0.084 30.224 30.300 0.014 0.000 0.851 242 R HN 0.168 nan 8.270 nan 0.000 0.434 243 L N 0.609 121.861 121.223 0.049 0.000 2.667 243 L HA 0.141 4.482 4.340 0.001 0.000 0.232 243 L C 0.055 176.965 176.870 0.067 0.000 1.138 243 L CA -0.228 54.651 54.840 0.065 0.000 0.921 243 L CB -0.029 42.079 42.059 0.081 0.000 1.180 243 L HN 0.344 nan 8.230 nan 0.000 0.487 244 N N 1.499 120.234 118.700 0.058 0.000 2.738 244 N HA -0.216 4.525 4.740 0.001 0.000 0.249 244 N C -0.643 174.891 175.510 0.041 0.000 1.047 244 N CA 0.471 53.555 53.050 0.057 0.000 0.707 244 N CB -1.069 37.459 38.487 0.069 0.000 0.937 244 N HN 0.336 nan 8.380 nan 0.000 0.545 245 I N 0.500 121.079 120.570 0.015 0.000 2.339 245 I HA 0.357 4.528 4.170 0.001 0.000 0.290 245 I C -1.898 174.144 176.117 -0.125 0.000 0.994 245 I CA -2.120 59.172 61.300 -0.013 0.000 1.191 245 I CB 1.486 39.506 38.000 0.033 0.000 1.343 245 I HN 0.003 nan 8.210 nan 0.000 0.458 246 P HA 0.043 nan 4.420 nan 0.000 0.267 246 P C -0.734 176.372 177.300 -0.323 0.000 1.200 246 P CA -0.077 62.667 63.100 -0.593 0.000 0.772 246 P CB 0.657 31.613 31.700 -1.239 0.000 0.855 247 V N 4.991 124.745 119.914 -0.268 0.000 2.384 247 V HA 0.393 4.514 4.120 0.001 0.000 0.287 247 V C 0.296 176.364 176.094 -0.042 0.000 1.020 247 V CA -0.294 61.935 62.300 -0.119 0.000 0.850 247 V CB 1.047 32.804 31.823 -0.109 0.000 0.987 247 V HN 0.389 nan 8.190 nan 0.000 0.436 248 I N 4.394 124.970 120.570 0.011 0.000 2.530 248 I HA 0.679 4.850 4.170 0.001 0.000 0.297 248 I C 0.250 176.420 176.117 0.088 0.000 1.011 248 I CA -0.229 61.116 61.300 0.076 0.000 1.107 248 I CB 2.593 40.670 38.000 0.128 0.000 1.285 248 I HN 0.748 nan 8.210 nan 0.000 0.436 249 T N -0.044 114.570 114.554 0.099 0.000 2.916 249 T HA 0.576 4.927 4.350 0.001 0.000 0.292 249 T C 0.027 174.800 174.700 0.121 0.000 1.064 249 T CA -0.744 61.412 62.100 0.093 0.000 1.011 249 T CB 1.645 70.557 68.868 0.073 0.000 1.152 249 T HN 0.646 nan 8.240 nan 0.000 0.510 250 T N -0.084 114.523 114.554 0.089 0.000 2.698 250 T HA 0.212 4.563 4.350 0.001 0.000 0.295 250 T C 0.928 175.734 174.700 0.176 0.000 1.007 250 T CA -0.401 61.727 62.100 0.047 0.000 0.980 250 T CB -0.117 68.718 68.868 -0.055 0.000 1.036 250 T HN 0.543 nan 8.240 nan 0.000 0.526 251 Y N 0.546 120.924 120.300 0.129 0.000 2.128 251 Y HA -0.020 4.531 4.550 0.001 0.000 0.284 251 Y C 2.395 178.470 175.900 0.292 0.000 1.154 251 Y CA 0.863 59.084 58.100 0.201 0.000 1.149 251 Y CB -1.256 37.334 38.460 0.216 0.000 0.976 251 Y HN 0.690 nan 8.280 nan 0.000 0.505 252 I N -3.033 117.756 120.570 0.364 0.000 3.883 252 I HA 0.430 4.601 4.170 0.001 0.000 0.326 252 I C 1.724 178.017 176.117 0.292 0.000 1.283 252 I CA 0.770 62.286 61.300 0.359 0.000 1.161 252 I CB -0.202 37.987 38.000 0.315 0.000 1.012 252 I HN -0.009 nan 8.210 nan 0.000 0.421 253 A N 1.064 123.992 122.820 0.179 0.000 2.251 253 A HA 0.194 4.515 4.320 0.001 0.000 0.209 253 A C 0.964 178.587 177.584 0.066 0.000 1.187 253 A CA -0.197 51.880 52.037 0.067 0.000 0.823 253 A CB -0.353 18.670 19.000 0.039 0.000 0.846 253 A HN 0.367 nan 8.150 nan 0.000 0.486 254 K N -0.328 120.154 120.400 0.136 0.000 2.511 254 K HA 0.257 4.578 4.320 0.001 0.000 0.280 254 K C 1.141 177.789 176.600 0.080 0.000 1.008 254 K CA 1.026 57.378 56.287 0.109 0.000 1.050 254 K CB 0.027 32.612 32.500 0.143 0.000 0.889 254 K HN 0.629 nan 8.250 nan 0.000 0.484 255 G N 0.857 109.684 108.800 0.045 0.000 2.179 255 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 255 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 255 G C 0.626 175.522 174.900 -0.008 0.000 0.990 255 G CA 0.141 45.259 45.100 0.029 0.000 0.646 255 G HN 0.544 nan 8.290 nan 0.000 0.517 256 V N -1.532 118.366 119.914 -0.027 0.000 2.970 256 V HA 0.486 4.607 4.120 0.001 0.000 0.260 256 V C 1.199 177.275 176.094 -0.030 0.000 1.100 256 V CA 1.243 63.516 62.300 -0.046 0.000 1.122 256 V CB -0.300 31.489 31.823 -0.055 0.000 0.721 256 V HN 0.424 nan 8.190 nan 0.000 0.483 257 L N 0.360 121.570 121.223 -0.021 0.000 2.342 257 L HA 0.601 4.941 4.340 0.001 0.000 0.271 257 L C -2.512 174.398 176.870 0.066 0.000 1.008 257 L CA -2.237 52.605 54.840 0.004 0.000 0.818 257 L CB 1.937 43.926 42.059 -0.117 0.000 1.296 257 L HN -0.053 nan 8.230 nan 0.000 0.427 258 P HA 0.041 nan 4.420 nan 0.000 0.270 258 P C -0.713 176.650 177.300 0.105 0.000 1.223 258 P CA -0.424 62.736 63.100 0.101 0.000 0.785 258 P CB 0.431 32.189 31.700 0.097 0.000 0.923 259 V N 1.650 121.608 119.914 0.072 0.000 2.617 259 V HA 0.233 4.354 4.120 0.001 0.000 0.304 259 V C 1.738 177.871 176.094 0.065 0.000 1.040 259 V CA 1.644 63.982 62.300 0.064 0.000 1.149 259 V CB -0.730 31.123 31.823 0.049 0.000 0.914 259 V HN 1.049 nan 8.190 nan 0.000 0.487 260 G N 2.606 111.447 108.800 0.068 0.000 2.217 260 G HA2 -0.254 3.707 3.960 0.001 0.000 0.246 260 G HA3 -0.254 3.707 3.960 0.001 0.000 0.246 260 G C 0.347 175.294 174.900 0.079 0.000 0.990 260 G CA 0.256 45.390 45.100 0.056 0.000 0.627 260 G HN 0.953 nan 8.290 nan 0.000 0.522 261 H N 2.326 121.413 119.070 0.028 0.000 3.034 261 H HA 0.166 4.723 4.556 0.001 0.000 0.324 261 H C 1.962 177.320 175.328 0.051 0.000 1.015 261 H CA 1.133 57.202 56.048 0.035 0.000 1.429 261 H CB 0.619 30.402 29.762 0.036 0.000 1.429 261 H HN 0.690 nan 8.280 nan 0.000 0.585 262 E N 4.178 124.580 120.200 0.336 0.000 2.204 262 E HA -0.132 4.219 4.350 0.001 0.000 0.195 262 E C 1.503 178.294 176.600 0.318 0.000 0.990 262 E CA 0.849 57.401 56.400 0.254 0.000 0.821 262 E CB 0.156 29.954 29.700 0.163 0.000 0.750 262 E HN 0.560 nan 8.360 nan 0.000 0.477 263 L N 0.714 122.130 121.223 0.322 0.000 2.585 263 L HA 0.108 4.449 4.340 0.001 0.000 0.226 263 L C 0.921 177.808 176.870 0.029 0.000 1.113 263 L CA -0.350 54.526 54.840 0.059 0.000 0.876 263 L CB -0.108 41.862 42.059 -0.148 0.000 1.072 263 L HN 0.050 nan 8.230 nan 0.000 0.468 264 N N 0.359 119.111 118.700 0.088 0.000 2.410 264 N HA -0.103 4.638 4.740 0.001 0.000 0.281 264 N C 0.294 175.941 175.510 0.228 0.000 1.241 264 N CA 0.253 53.364 53.050 0.102 0.000 0.998 264 N CB 0.156 38.697 38.487 0.089 0.000 1.376 264 N HN 0.062 nan 8.380 nan 0.000 0.490 265 Y N 1.535 121.796 120.300 -0.064 0.000 2.471 265 Y HA 0.247 4.797 4.550 0.001 0.000 0.286 265 Y C 1.728 177.576 175.900 -0.086 0.000 1.188 265 Y CA 0.225 58.271 58.100 -0.090 0.000 1.286 265 Y CB -0.365 38.022 38.460 -0.121 0.000 1.072 265 Y HN 0.597 nan 8.280 nan 0.000 0.517 266 G N -0.106 108.739 108.800 0.076 0.000 2.710 266 G HA2 0.144 4.105 3.960 0.001 0.000 0.668 266 G HA3 0.144 4.105 3.960 0.001 0.000 0.668 266 G C -0.609 174.310 174.900 0.031 0.000 1.320 266 G CA -0.754 44.353 45.100 0.011 0.000 0.860 266 G HN 0.502 nan 8.290 nan 0.000 0.538 267 A N -1.028 121.797 122.820 0.009 0.000 2.279 267 A HA 0.834 5.154 4.320 0.001 0.000 0.303 267 A C 0.306 177.940 177.584 0.083 0.000 1.108 267 A CA 0.037 52.115 52.037 0.067 0.000 0.830 267 A CB 1.513 20.557 19.000 0.074 0.000 1.106 267 A HN 1.877 nan 8.150 nan 0.000 0.493 268 V N 0.878 120.899 119.914 0.178 0.000 2.472 268 V HA 0.696 4.817 4.120 0.001 0.000 0.290 268 V C 0.449 176.720 176.094 0.296 0.000 1.037 268 V CA -0.009 62.421 62.300 0.217 0.000 0.908 268 V CB 1.593 33.595 31.823 0.298 0.000 0.985 268 V HN 1.077 nan 8.190 nan 0.000 0.454 269 T N 2.139 116.843 114.554 0.250 0.000 2.909 269 T HA 0.509 4.860 4.350 0.001 0.000 0.299 269 T C 1.141 175.967 174.700 0.210 0.000 1.073 269 T CA 0.239 62.552 62.100 0.356 0.000 0.999 269 T CB 1.754 70.839 68.868 0.361 0.000 1.098 269 T HN 0.803 nan 8.240 nan 0.000 0.477 270 G N 1.216 110.122 108.800 0.175 0.000 2.462 270 G HA2 -0.129 3.832 3.960 0.001 0.000 0.220 270 G HA3 -0.129 3.832 3.960 0.001 0.000 0.220 270 G C 0.705 175.561 174.900 -0.073 0.000 1.121 270 G CA 0.778 45.873 45.100 -0.009 0.000 0.758 270 G HN 0.803 nan 8.290 nan 0.000 0.559 271 Y N 0.682 120.958 120.300 -0.040 0.000 2.529 271 Y HA 0.162 4.713 4.550 0.001 0.000 0.290 271 Y C 2.793 178.675 175.900 -0.030 0.000 1.177 271 Y CA 0.528 58.657 58.100 0.049 0.000 1.305 271 Y CB -0.200 38.195 38.460 -0.108 0.000 1.047 271 Y HN 0.286 nan 8.280 nan 0.000 0.522 272 M N -1.606 118.014 119.600 0.034 0.000 2.254 272 M HA -0.082 4.399 4.480 0.001 0.000 0.265 272 M C 0.815 177.038 176.300 -0.127 0.000 1.066 272 M CA 1.783 57.028 55.300 -0.093 0.000 1.123 272 M CB -0.229 32.317 32.600 -0.090 0.000 1.388 272 M HN -0.064 nan 8.290 nan 0.000 0.425 273 D N 1.463 121.798 120.400 -0.110 0.000 2.117 273 D HA -0.021 4.620 4.640 0.001 0.000 0.198 273 D C 2.309 178.458 176.300 -0.252 0.000 0.982 273 D CA 1.839 55.763 54.000 -0.126 0.000 0.828 273 D CB -0.528 40.202 40.800 -0.117 0.000 0.967 273 D HN 0.594 nan 8.370 nan 0.000 0.464 274 G N 0.151 108.636 108.800 -0.525 0.000 2.448 274 G HA2 -0.130 3.831 3.960 0.001 0.000 0.218 274 G HA3 -0.130 3.831 3.960 0.001 0.000 0.218 274 G C 1.721 176.352 174.900 -0.448 0.000 1.135 274 G CA 0.126 44.573 45.100 -1.088 0.000 0.784 274 G HN 0.248 nan 8.290 nan 0.000 0.543 275 I N -0.046 120.435 120.570 -0.149 0.000 2.333 275 I HA 0.041 4.212 4.170 0.001 0.000 0.246 275 I C 2.406 178.451 176.117 -0.120 0.000 1.106 275 I CA 0.597 61.878 61.300 -0.030 0.000 1.411 275 I CB 0.003 37.785 38.000 -0.363 0.000 1.082 275 I HN 0.084 nan 8.210 nan 0.000 0.420 276 L N -0.105 120.963 121.223 -0.259 0.000 2.418 276 L HA 0.025 4.366 4.340 0.001 0.000 0.218 276 L C 0.407 177.324 176.870 0.078 0.000 1.125 276 L CA 0.198 54.825 54.840 -0.354 0.000 0.835 276 L CB -0.363 41.498 42.059 -0.330 0.000 0.953 276 L HN 0.362 nan 8.230 nan 0.000 0.454 277 N N -0.126 118.622 118.700 0.080 0.000 2.727 277 N HA -0.270 4.471 4.740 0.001 0.000 0.251 277 N C -0.860 174.778 175.510 0.214 0.000 1.040 277 N CA 0.440 53.568 53.050 0.130 0.000 0.712 277 N CB -0.949 37.667 38.487 0.215 0.000 0.912 277 N HN 0.249 nan 8.380 nan 0.000 0.545 278 F N -0.207 119.713 119.950 -0.050 0.000 2.688 278 F HA 0.449 4.976 4.527 0.001 0.000 0.308 278 F C -2.316 173.449 175.800 -0.059 0.000 1.117 278 F CA -1.567 56.409 58.000 -0.040 0.000 0.976 278 F CB 1.656 40.631 39.000 -0.042 0.000 1.291 278 F HN -0.077 nan 8.300 nan 0.000 0.439 279 P HA 0.225 nan 4.420 nan 0.000 0.230 279 P C -0.265 176.992 177.300 -0.072 0.000 1.791 279 P CA 0.325 63.255 63.100 -0.282 0.000 1.020 279 P CB 0.481 31.961 31.700 -0.366 0.000 1.977 280 A N 2.554 125.476 122.820 0.170 0.000 1.898 280 A HA -0.062 4.259 4.320 0.001 0.000 0.214 280 A C 2.099 179.757 177.584 0.124 0.000 1.183 280 A CA 0.854 53.040 52.037 0.249 0.000 0.622 280 A CB -1.040 18.056 19.000 0.159 0.000 0.824 280 A HN 0.331 nan 8.150 nan 0.000 0.444 281 L N -0.519 120.776 121.223 0.120 0.000 2.083 281 L HA -0.224 4.117 4.340 0.001 0.000 0.209 281 L C 2.874 179.882 176.870 0.230 0.000 1.083 281 L CA 1.165 56.135 54.840 0.215 0.000 0.752 281 L CB -0.476 41.707 42.059 0.207 0.000 0.899 281 L HN 0.430 nan 8.230 nan 0.000 0.433 282 Q N -0.643 119.232 119.800 0.125 0.000 2.119 282 Q HA -0.138 4.203 4.340 0.001 0.000 0.201 282 Q C 2.213 178.268 176.000 0.092 0.000 0.972 282 Q CA 1.864 57.726 55.803 0.098 0.000 0.847 282 Q CB -0.406 28.341 28.738 0.016 0.000 0.903 282 Q HN 0.499 nan 8.270 nan 0.000 0.433 283 T N 1.197 115.798 114.554 0.078 0.000 2.777 283 T HA -0.116 4.235 4.350 0.001 0.000 0.266 283 T C 1.874 176.626 174.700 0.087 0.000 1.040 283 T CA 1.174 63.329 62.100 0.091 0.000 1.141 283 T CB -0.135 68.833 68.868 0.167 0.000 0.868 283 T HN 0.158 nan 8.240 nan 0.000 0.444 284 M N -0.434 119.166 119.600 0.000 0.000 2.175 284 M HA 0.045 4.526 4.480 0.001 0.000 0.264 284 M C 0.817 176.985 176.300 -0.219 0.000 1.063 284 M CA 1.724 56.909 55.300 -0.192 0.000 1.119 284 M CB 0.068 32.341 32.600 -0.546 0.000 1.377 284 M HN 0.210 nan 8.290 nan 0.000 0.415 285 F N -2.219 117.836 119.950 0.175 0.000 2.789 285 F HA 0.411 4.938 4.527 0.001 0.000 0.320 285 F C 1.986 177.804 175.800 0.030 0.000 1.079 285 F CA 0.170 58.231 58.000 0.101 0.000 1.205 285 F CB -0.824 38.263 39.000 0.145 0.000 1.046 285 F HN 0.018 nan 8.300 nan 0.000 0.586 286 A N 1.366 124.300 122.820 0.190 0.000 1.908 286 A HA -0.103 4.218 4.320 0.001 0.000 0.218 286 A C -0.533 177.083 177.584 0.053 0.000 1.181 286 A CA 1.881 53.985 52.037 0.112 0.000 0.627 286 A CB -1.876 17.169 19.000 0.075 0.000 0.818 286 A HN 0.196 nan 8.150 nan 0.000 0.445 287 P HA 0.178 nan 4.420 nan 0.000 0.255 287 P C -0.037 177.214 177.300 -0.081 0.000 1.248 287 P CA 0.134 63.196 63.100 -0.064 0.000 0.807 287 P CB 0.004 31.617 31.700 -0.145 0.000 1.150 288 V N 3.138 122.984 119.914 -0.112 0.000 2.637 288 V HA 0.021 4.142 4.120 0.001 0.000 0.296 288 V C 1.387 177.511 176.094 0.050 0.000 1.046 288 V CA 0.804 63.074 62.300 -0.051 0.000 1.066 288 V CB 0.679 32.520 31.823 0.030 0.000 0.968 288 V HN 0.177 nan 8.190 nan 0.000 0.483 289 D N 2.853 123.290 120.400 0.062 0.000 2.474 289 D HA 0.181 4.822 4.640 0.001 0.000 0.213 289 D C -0.146 176.175 176.300 0.035 0.000 1.120 289 D CA -0.102 53.929 54.000 0.052 0.000 0.836 289 D CB 0.639 41.467 40.800 0.047 0.000 1.019 289 D HN 0.318 nan 8.370 nan 0.000 0.507 290 L N 0.970 122.209 121.223 0.027 0.000 2.476 290 L HA 0.501 4.842 4.340 0.001 0.000 0.269 290 L C -1.784 175.062 176.870 -0.041 0.000 0.965 290 L CA -0.868 53.976 54.840 0.006 0.000 0.845 290 L CB 2.280 44.363 42.059 0.039 0.000 1.259 290 L HN -0.172 nan 8.230 nan 0.000 0.403 291 V N 6.092 125.922 119.914 -0.138 0.000 2.417 291 V HA 0.521 4.642 4.120 0.001 0.000 0.291 291 V C -0.503 175.432 176.094 -0.265 0.000 1.024 291 V CA -0.443 61.687 62.300 -0.284 0.000 0.861 291 V CB 1.587 32.987 31.823 -0.705 0.000 0.985 291 V HN 0.577 nan 8.190 nan 0.000 0.436 292 L N 4.599 125.699 121.223 -0.205 0.000 2.324 292 L HA 0.412 4.753 4.340 0.001 0.000 0.274 292 L C 0.666 177.417 176.870 -0.198 0.000 1.012 292 L CA -0.217 54.511 54.840 -0.185 0.000 0.859 292 L CB 1.672 43.658 42.059 -0.121 0.000 1.224 292 L HN 0.782 nan 8.230 nan 0.000 0.429 293 T N 0.014 114.434 114.554 -0.224 0.000 2.987 293 T HA 0.347 4.698 4.350 0.001 0.000 0.288 293 T C 0.142 174.817 174.700 -0.043 0.000 0.981 293 T CA -0.623 61.415 62.100 -0.104 0.000 1.031 293 T CB -0.060 68.764 68.868 -0.074 0.000 0.976 293 T HN 0.141 nan 8.240 nan 0.000 0.612 294 V N 3.709 123.594 119.914 -0.048 0.000 2.372 294 V HA 0.567 4.688 4.120 0.001 0.000 0.261 294 V C 1.427 177.516 176.094 -0.008 0.000 1.055 294 V CA 0.192 62.451 62.300 -0.068 0.000 0.930 294 V CB -0.122 31.679 31.823 -0.036 0.000 1.031 294 V HN 1.266 nan 8.190 nan 0.000 0.479 295 G N 3.923 112.714 108.800 -0.014 0.000 2.248 295 G HA2 -0.302 3.659 3.960 0.001 0.000 0.263 295 G HA3 -0.302 3.659 3.960 0.001 0.000 0.263 295 G C -0.207 174.722 174.900 0.049 0.000 1.082 295 G CA -0.123 44.982 45.100 0.009 0.000 0.863 295 G HN 0.839 nan 8.290 nan 0.000 0.495 296 Y N 0.984 121.284 120.300 -0.000 0.000 2.597 296 Y HA 0.462 5.013 4.550 0.001 0.000 0.336 296 Y C 0.238 176.186 175.900 0.079 0.000 1.216 296 Y CA 0.446 58.584 58.100 0.064 0.000 1.463 296 Y CB 1.081 39.633 38.460 0.155 0.000 1.303 296 Y HN 0.223 nan 8.280 nan 0.000 0.576 297 D N 4.675 124.621 120.400 -0.757 0.000 2.452 297 D HA -0.001 4.640 4.640 0.001 0.000 0.226 297 D C -0.151 175.804 176.300 -0.575 0.000 1.366 297 D CA -0.482 53.254 54.000 -0.441 0.000 0.986 297 D CB 0.142 40.817 40.800 -0.208 0.000 1.420 297 D HN 0.575 nan 8.370 nan 0.000 0.583 298 Y N 3.427 123.466 120.300 -0.435 0.000 2.298 298 Y HA -0.186 4.365 4.550 0.001 0.000 0.287 298 Y C 1.964 177.772 175.900 -0.153 0.000 1.164 298 Y CA 2.219 60.211 58.100 -0.180 0.000 1.229 298 Y CB -0.150 38.346 38.460 0.059 0.000 0.977 298 Y HN 0.539 nan 8.280 nan 0.000 0.538 299 A N -0.252 122.513 122.820 -0.092 0.000 2.019 299 A HA -0.190 4.131 4.320 0.001 0.000 0.219 299 A C 2.079 179.545 177.584 -0.196 0.000 1.164 299 A CA 1.670 53.623 52.037 -0.140 0.000 0.644 299 A CB -0.594 18.364 19.000 -0.070 0.000 0.805 299 A HN 0.603 nan 8.150 nan 0.000 0.449 300 E N -1.570 118.489 120.200 -0.236 0.000 2.347 300 E HA -0.098 4.253 4.350 0.001 0.000 0.196 300 E C 0.128 176.507 176.600 -0.368 0.000 1.008 300 E CA 0.502 56.729 56.400 -0.290 0.000 0.852 300 E CB -0.012 29.523 29.700 -0.276 0.000 0.783 300 E HN 0.524 nan 8.360 nan 0.000 0.505 301 D N -0.707 119.509 120.400 -0.306 0.000 3.091 301 D HA -0.162 4.479 4.640 0.001 0.000 0.216 301 D C -1.073 175.137 176.300 -0.150 0.000 1.129 301 D CA 0.206 54.054 54.000 -0.253 0.000 0.913 301 D CB -0.908 39.800 40.800 -0.152 0.000 1.101 301 D HN 0.056 nan 8.370 nan 0.000 0.426 302 L N 1.639 122.796 121.223 -0.109 0.000 2.282 302 L HA 0.435 4.776 4.340 0.001 0.000 0.287 302 L C 0.154 177.126 176.870 0.171 0.000 1.075 302 L CA 0.126 55.004 54.840 0.063 0.000 0.839 302 L CB 0.202 42.335 42.059 0.124 0.000 1.219 302 L HN 0.018 nan 8.230 nan 0.000 0.434 303 R N 5.398 125.919 120.500 0.036 0.000 2.598 303 R HA 0.425 4.766 4.340 0.001 0.000 0.279 303 R C -1.718 174.269 176.300 -0.521 0.000 0.984 303 R CA -1.731 54.349 56.100 -0.033 0.000 0.999 303 R CB 0.504 30.788 30.300 -0.027 0.000 1.114 303 R HN 0.315 nan 8.270 nan 0.000 0.493 304 P HA -0.246 nan 4.420 nan 0.000 0.216 304 P C 1.221 177.676 177.300 -1.409 0.000 1.153 304 P CA 1.712 63.618 63.100 -1.991 0.000 0.858 304 P CB 0.116 31.123 31.700 -1.155 0.000 0.789 305 S N -1.585 113.697 115.700 -0.696 0.000 2.440 305 S HA -0.192 4.279 4.470 0.001 0.000 0.238 305 S C 1.850 176.220 174.600 -0.385 0.000 1.010 305 S CA 1.346 59.282 58.200 -0.441 0.000 0.972 305 S CB -1.381 61.670 63.200 -0.249 0.000 0.774 305 S HN 0.107 nan 8.310 nan 0.000 0.501 306 M N 0.111 119.473 119.600 -0.397 0.000 2.254 306 M HA 0.088 4.569 4.480 0.001 0.000 0.265 306 M C 1.938 178.082 176.300 -0.261 0.000 1.066 306 M CA 1.429 56.605 55.300 -0.207 0.000 1.123 306 M CB -0.398 32.162 32.600 -0.068 0.000 1.388 306 M HN 0.790 nan 8.290 nan 0.000 0.425 307 W N 0.012 120.988 121.300 -0.540 0.000 3.211 307 W HA 0.222 4.883 4.660 0.002 0.000 0.292 307 W C 0.020 176.256 176.519 -0.473 0.000 1.268 307 W CA -0.324 56.401 57.345 -1.034 0.000 1.702 307 W CB -0.705 27.965 29.460 -1.317 0.000 1.092 307 W HN 0.005 nan 8.180 nan 0.000 0.643 308 Q N 2.599 122.198 119.800 -0.336 0.000 3.026 308 Q HA 0.150 4.491 4.340 0.001 0.000 0.258 308 Q C -0.463 175.508 176.000 -0.048 0.000 1.388 308 Q CA 0.383 56.099 55.803 -0.145 0.000 1.000 308 Q CB 0.004 28.596 28.738 -0.244 0.000 1.634 308 Q HN -0.102 nan 8.270 nan 0.000 0.571 309 K N 0.701 121.126 120.400 0.041 0.000 2.443 309 K HA 0.590 4.911 4.320 0.001 0.000 0.252 309 K C 0.335 176.988 176.600 0.088 0.000 0.933 309 K CA -0.082 56.249 56.287 0.073 0.000 0.792 309 K CB 2.016 34.607 32.500 0.152 0.000 1.185 309 K HN 0.502 nan 8.250 nan 0.000 0.425 310 G N 2.799 111.631 108.800 0.054 0.000 2.527 310 G HA2 -0.300 3.661 3.960 0.001 0.000 0.262 310 G HA3 -0.300 3.661 3.960 0.001 0.000 0.262 310 G C 0.127 175.053 174.900 0.044 0.000 1.153 310 G CA -0.038 45.091 45.100 0.048 0.000 0.954 310 G HN 0.759 nan 8.290 nan 0.000 0.552 311 I N -0.250 120.350 120.570 0.050 0.000 2.836 311 I HA 0.539 4.710 4.170 0.001 0.000 0.285 311 I C 0.415 176.563 176.117 0.052 0.000 1.174 311 I CA -0.609 60.718 61.300 0.046 0.000 1.405 311 I CB 0.485 38.514 38.000 0.048 0.000 1.385 311 I HN 0.424 nan 8.210 nan 0.000 0.594 312 E N 4.178 124.404 120.200 0.043 0.000 2.529 312 E HA 0.054 4.404 4.350 0.001 0.000 0.259 312 E C -0.700 175.934 176.600 0.058 0.000 0.966 312 E CA 0.528 56.956 56.400 0.047 0.000 0.937 312 E CB 0.387 30.108 29.700 0.035 0.000 0.923 312 E HN 0.498 nan 8.360 nan 0.000 0.468 313 K N 2.092 122.536 120.400 0.074 0.000 2.221 313 K HA 0.376 4.696 4.320 0.001 0.000 0.243 313 K C 0.026 176.665 176.600 0.064 0.000 0.968 313 K CA -0.833 55.497 56.287 0.071 0.000 0.846 313 K CB 1.505 34.060 32.500 0.092 0.000 1.141 313 K HN 0.067 nan 8.250 nan 0.000 0.434 314 K N 1.105 121.530 120.400 0.042 0.000 2.118 314 K HA 0.410 4.731 4.320 0.001 0.000 0.254 314 K C -0.477 176.132 176.600 0.016 0.000 0.961 314 K CA -0.492 55.818 56.287 0.039 0.000 0.876 314 K CB 1.863 34.383 32.500 0.034 0.000 1.077 314 K HN 0.866 nan 8.250 nan 0.000 0.440 315 T N -2.311 112.259 114.554 0.028 0.000 2.876 315 T HA 0.583 4.934 4.350 0.001 0.000 0.289 315 T C -0.479 174.207 174.700 -0.023 0.000 1.014 315 T CA -0.832 61.265 62.100 -0.005 0.000 0.986 315 T CB 1.394 70.350 68.868 0.147 0.000 1.021 315 T HN 0.110 nan 8.240 nan 0.000 0.458 316 V N 2.571 122.440 119.914 -0.075 0.000 2.483 316 V HA 0.574 4.694 4.120 0.001 0.000 0.297 316 V C 0.095 176.096 176.094 -0.155 0.000 1.027 316 V CA -0.991 61.242 62.300 -0.111 0.000 0.855 316 V CB 1.520 33.276 31.823 -0.110 0.000 0.995 316 V HN 1.009 nan 8.190 nan 0.000 0.424 317 R N 4.667 125.059 120.500 -0.181 0.000 2.265 317 R HA 0.710 5.051 4.340 0.001 0.000 0.319 317 R C -1.446 174.707 176.300 -0.245 0.000 1.006 317 R CA -0.489 55.509 56.100 -0.169 0.000 0.880 317 R CB 0.940 31.077 30.300 -0.270 0.000 1.077 317 R HN 0.653 nan 8.270 nan 0.000 0.454 318 I N 3.063 123.471 120.570 -0.270 0.000 2.382 318 I HA 0.312 4.483 4.170 0.001 0.000 0.286 318 I C -0.496 175.516 176.117 -0.175 0.000 1.002 318 I CA -0.054 61.025 61.300 -0.367 0.000 1.135 318 I CB 1.959 39.533 38.000 -0.709 0.000 1.288 318 I HN 0.559 nan 8.210 nan 0.000 0.448 319 S N 6.776 122.392 115.700 -0.140 0.000 2.537 319 S HA 0.575 5.046 4.470 0.001 0.000 0.270 319 S C -2.597 171.945 174.600 -0.097 0.000 1.142 319 S CA -1.136 57.020 58.200 -0.074 0.000 0.870 319 S CB 2.017 65.219 63.200 0.003 0.000 1.112 319 S HN 0.348 nan 8.310 nan 0.000 0.466 320 P HA 0.184 nan 4.420 nan 0.000 0.259 320 P C -0.050 177.217 177.300 -0.055 0.000 1.480 320 P CA 0.181 63.228 63.100 -0.088 0.000 0.842 320 P CB -0.877 30.778 31.700 -0.074 0.000 1.513 321 T N -4.240 110.289 114.554 -0.041 0.000 2.900 321 T HA 0.418 4.769 4.350 0.001 0.000 0.303 321 T C -0.288 174.398 174.700 -0.023 0.000 1.142 321 T CA -0.794 61.293 62.100 -0.023 0.000 1.007 321 T CB 1.256 70.123 68.868 -0.003 0.000 1.156 321 T HN -0.245 nan 8.240 nan 0.000 0.490 322 V N 2.745 122.648 119.914 -0.019 0.000 2.740 322 V HA 0.185 4.306 4.120 0.001 0.000 0.303 322 V C 1.076 177.160 176.094 -0.017 0.000 1.054 322 V CA -0.566 61.721 62.300 -0.022 0.000 1.106 322 V CB 0.349 32.162 31.823 -0.017 0.000 0.957 322 V HN 1.001 nan 8.190 nan 0.000 0.486 323 N N 6.570 125.249 118.700 -0.036 0.000 2.386 323 N HA 0.022 4.763 4.740 0.001 0.000 0.273 323 N C -1.007 174.491 175.510 -0.021 0.000 1.331 323 N CA -1.185 51.843 53.050 -0.036 0.000 0.891 323 N CB 0.896 39.324 38.487 -0.099 0.000 1.139 323 N HN 0.436 nan 8.380 nan 0.000 0.487 324 P HA 0.034 nan 4.420 nan 0.000 0.235 324 P C 0.435 177.720 177.300 -0.025 0.000 1.177 324 P CA 0.753 63.854 63.100 0.000 0.000 0.785 324 P CB 0.052 31.769 31.700 0.027 0.000 0.885 325 I N -3.746 116.795 120.570 -0.049 0.000 2.998 325 I HA 0.406 4.577 4.170 0.001 0.000 0.338 325 I C -1.821 174.235 176.117 -0.102 0.000 1.413 325 I CA -2.433 58.799 61.300 -0.114 0.000 0.880 325 I CB 0.998 38.827 38.000 -0.285 0.000 2.051 325 I HN -0.314 nan 8.210 nan 0.000 0.561 326 P HA -0.211 nan 4.420 nan 0.000 0.221 326 P C 1.509 178.772 177.300 -0.062 0.000 1.145 326 P CA 1.198 64.253 63.100 -0.075 0.000 0.795 326 P CB 0.082 31.742 31.700 -0.067 0.000 0.775 327 R N 0.157 120.618 120.500 -0.065 0.000 2.127 327 R HA -0.077 4.264 4.340 0.001 0.000 0.238 327 R C 1.714 177.975 176.300 -0.064 0.000 1.134 327 R CA 1.448 57.514 56.100 -0.057 0.000 0.975 327 R CB -0.228 30.040 30.300 -0.053 0.000 0.865 327 R HN 0.070 nan 8.270 nan 0.000 0.447 328 V N -1.193 118.663 119.914 -0.096 0.000 3.048 328 V HA 0.046 4.167 4.120 0.001 0.000 0.241 328 V C -0.168 175.904 176.094 -0.037 0.000 1.129 328 V CA 0.351 62.583 62.300 -0.113 0.000 1.128 328 V CB 0.206 31.867 31.823 -0.269 0.000 0.849 328 V HN 0.201 nan 8.190 nan 0.000 0.475 329 Y N 2.204 122.395 120.300 -0.181 0.000 2.426 329 Y HA 0.547 5.097 4.550 0.001 0.000 0.325 329 Y C -0.092 175.750 175.900 -0.096 0.000 0.989 329 Y CA -1.884 56.134 58.100 -0.137 0.000 1.284 329 Y CB 0.684 39.046 38.460 -0.163 0.000 1.104 329 Y HN 0.048 nan 8.280 nan 0.000 0.481 330 R N 7.384 127.909 120.500 0.043 0.000 2.423 330 R HA 0.316 4.657 4.340 0.001 0.000 0.293 330 R C -2.516 173.699 176.300 -0.141 0.000 1.196 330 R CA -1.687 54.345 56.100 -0.113 0.000 1.262 330 R CB 0.757 31.031 30.300 -0.043 0.000 1.116 330 R HN 0.464 nan 8.270 nan 0.000 0.566 331 P HA -0.007 nan 4.420 nan 0.000 0.269 331 P C -0.043 177.189 177.300 -0.112 0.000 1.209 331 P CA -0.128 62.814 63.100 -0.263 0.000 0.776 331 P CB 1.065 32.477 31.700 -0.479 0.000 0.876 332 D N 0.201 120.579 120.400 -0.035 0.000 2.144 332 D HA -0.037 4.603 4.640 0.001 0.000 0.199 332 D C 0.375 176.657 176.300 -0.029 0.000 0.984 332 D CA 1.451 55.441 54.000 -0.017 0.000 0.834 332 D CB 0.277 41.084 40.800 0.012 0.000 0.955 332 D HN 0.125 nan 8.370 nan 0.000 0.465 333 V N 1.078 120.964 119.914 -0.048 0.000 2.623 333 V HA 0.178 4.299 4.120 0.001 0.000 0.304 333 V C -0.863 175.173 176.094 -0.098 0.000 1.054 333 V CA -0.920 61.354 62.300 -0.042 0.000 0.882 333 V CB 2.556 34.384 31.823 0.008 0.000 1.002 333 V HN -0.148 nan 8.190 nan 0.000 0.424 334 D N 3.348 123.693 120.400 -0.091 0.000 2.414 334 D HA 0.478 5.119 4.640 0.001 0.000 0.232 334 D C -0.782 175.478 176.300 -0.068 0.000 1.070 334 D CA -0.134 53.792 54.000 -0.123 0.000 0.839 334 D CB 2.010 42.729 40.800 -0.135 0.000 1.079 334 D HN 0.278 nan 8.370 nan 0.000 0.521 335 V N 4.551 124.400 119.914 -0.108 0.000 2.277 335 V HA 0.225 4.346 4.120 0.001 0.000 0.269 335 V C 0.303 176.338 176.094 -0.099 0.000 1.036 335 V CA -0.848 61.422 62.300 -0.051 0.000 0.821 335 V CB 1.297 33.051 31.823 -0.116 0.000 1.052 335 V HN 0.323 nan 8.190 nan 0.000 0.462 336 V N 4.872 124.761 119.914 -0.042 0.000 2.339 336 V HA 0.596 4.717 4.120 0.001 0.000 0.261 336 V C 0.386 176.368 176.094 -0.187 0.000 1.058 336 V CA 0.524 62.770 62.300 -0.090 0.000 0.897 336 V CB 0.637 32.434 31.823 -0.043 0.000 1.052 336 V HN 0.993 nan 8.190 nan 0.000 0.480 337 T N 2.599 116.972 114.554 -0.301 0.000 2.663 337 T HA 0.214 4.564 4.350 0.001 0.000 0.305 337 T C -1.536 172.938 174.700 -0.376 0.000 1.660 337 T CA -0.667 61.112 62.100 -0.535 0.000 0.976 337 T CB 1.642 69.764 68.868 -1.244 0.000 1.705 337 T HN 0.683 nan 8.240 nan 0.000 0.494 338 D N 0.651 120.819 120.400 -0.387 0.000 2.424 338 D HA 0.263 4.904 4.640 0.001 0.000 0.244 338 D C 1.484 177.687 176.300 -0.162 0.000 1.134 338 D CA 0.169 54.038 54.000 -0.219 0.000 0.881 338 D CB 0.912 41.613 40.800 -0.166 0.000 1.191 338 D HN 0.246 nan 8.370 nan 0.000 0.445 339 V N 3.881 123.752 119.914 -0.072 0.000 2.295 339 V HA -0.189 3.932 4.120 0.001 0.000 0.246 339 V C 2.186 178.326 176.094 0.076 0.000 1.049 339 V CA 1.222 63.528 62.300 0.010 0.000 1.024 339 V CB -0.691 31.135 31.823 0.005 0.000 0.648 339 V HN 0.602 nan 8.190 nan 0.000 0.447 340 L N 1.013 122.254 121.223 0.030 0.000 2.012 340 L HA -0.140 4.201 4.340 0.001 0.000 0.210 340 L C 2.489 179.390 176.870 0.052 0.000 1.073 340 L CA 2.460 57.325 54.840 0.040 0.000 0.748 340 L CB -1.085 40.988 42.059 0.023 0.000 0.891 340 L HN 0.245 nan 8.230 nan 0.000 0.431 341 A N -1.036 121.794 122.820 0.015 0.000 1.940 341 A HA -0.292 4.029 4.320 0.001 0.000 0.219 341 A C 2.280 179.951 177.584 0.146 0.000 1.176 341 A CA 1.954 54.019 52.037 0.047 0.000 0.631 341 A CB -1.208 17.735 19.000 -0.095 0.000 0.814 341 A HN 0.590 nan 8.150 nan 0.000 0.446 342 F N 0.844 120.749 119.950 -0.076 0.000 2.102 342 F HA -0.151 4.377 4.527 0.002 0.000 0.298 342 F C 2.146 178.071 175.800 0.208 0.000 1.105 342 F CA 2.087 60.145 58.000 0.097 0.000 1.239 342 F CB -0.503 38.464 39.000 -0.055 0.000 0.991 342 F HN 0.012 nan 8.300 nan 0.000 0.474 343 V N 0.591 120.451 119.914 -0.089 0.000 2.407 343 V HA -0.272 3.849 4.120 0.001 0.000 0.248 343 V C 2.282 178.328 176.094 -0.080 0.000 1.055 343 V CA 2.278 64.475 62.300 -0.172 0.000 1.049 343 V CB -0.752 31.089 31.823 0.030 0.000 0.662 343 V HN 0.384 nan 8.190 nan 0.000 0.455 344 E N -0.656 119.553 120.200 0.015 0.000 2.072 344 E HA -0.230 4.121 4.350 0.001 0.000 0.190 344 E C 2.166 178.794 176.600 0.046 0.000 0.982 344 E CA 1.321 57.744 56.400 0.038 0.000 0.803 344 E CB -0.178 29.566 29.700 0.074 0.000 0.755 344 E HN 0.753 nan 8.360 nan 0.000 0.453 345 H N -0.636 118.455 119.070 0.035 0.000 2.389 345 H HA -0.131 4.426 4.556 0.001 0.000 0.299 345 H C 1.663 176.960 175.328 -0.051 0.000 1.081 345 H CA 1.387 57.456 56.048 0.035 0.000 1.345 345 H CB -0.026 29.846 29.762 0.184 0.000 1.393 345 H HN 0.104 nan 8.280 nan 0.000 0.520 346 F N 1.150 120.913 119.950 -0.311 0.000 2.259 346 F HA -0.065 4.463 4.527 0.002 0.000 0.298 346 F C 2.196 177.785 175.800 -0.353 0.000 1.088 346 F CA 1.057 58.801 58.000 -0.428 0.000 1.358 346 F CB -0.011 38.521 39.000 -0.781 0.000 1.040 346 F HN 0.178 nan 8.300 nan 0.000 0.505 347 E N -0.395 119.695 120.200 -0.183 0.000 2.058 347 E HA -0.188 4.162 4.350 0.001 0.000 0.194 347 E C 2.204 178.626 176.600 -0.297 0.000 0.997 347 E CA 1.964 58.233 56.400 -0.219 0.000 0.801 347 E CB -0.736 28.896 29.700 -0.113 0.000 0.746 347 E HN 0.329 nan 8.360 nan 0.000 0.450 348 T N 1.056 115.440 114.554 -0.284 0.000 2.746 348 T HA -0.099 4.252 4.350 0.001 0.000 0.267 348 T C 1.875 176.346 174.700 -0.382 0.000 1.039 348 T CA 1.452 63.375 62.100 -0.296 0.000 1.142 348 T CB -0.166 68.532 68.868 -0.284 0.000 0.866 348 T HN 0.261 nan 8.240 nan 0.000 0.444 349 A N 1.246 123.770 122.820 -0.493 0.000 2.119 349 A HA -0.003 4.318 4.320 0.001 0.000 0.217 349 A C 2.229 179.375 177.584 -0.731 0.000 1.153 349 A CA 1.674 53.411 52.037 -0.499 0.000 0.692 349 A CB -0.534 18.206 19.000 -0.432 0.000 0.799 349 A HN 0.593 nan 8.150 nan 0.000 0.458 350 T N -4.959 109.031 114.554 -0.941 0.000 3.132 350 T HA 0.545 4.896 4.350 0.001 0.000 0.274 350 T C 1.443 175.644 174.700 -0.831 0.000 1.011 350 T CA 0.749 61.945 62.100 -1.506 0.000 0.899 350 T CB 0.268 68.238 68.868 -1.496 0.000 1.089 350 T HN 0.390 nan 8.240 nan 0.000 0.543 351 A N 2.525 125.060 122.820 -0.474 0.000 1.948 351 A HA -0.070 4.251 4.320 0.001 0.000 0.220 351 A C 2.534 180.044 177.584 -0.123 0.000 1.177 351 A CA 2.074 53.966 52.037 -0.241 0.000 0.636 351 A CB -1.008 17.885 19.000 -0.179 0.000 0.815 351 A HN 0.814 nan 8.150 nan 0.000 0.449 352 S N -1.630 114.029 115.700 -0.068 0.000 2.593 352 S HA 0.255 4.726 4.470 0.001 0.000 0.217 352 S C 0.156 174.884 174.600 0.214 0.000 0.966 352 S CA -0.539 57.701 58.200 0.067 0.000 0.914 352 S CB -0.395 62.852 63.200 0.078 0.000 0.776 352 S HN 0.123 nan 8.310 nan 0.000 0.523 353 F N 2.950 122.850 119.950 -0.083 0.000 2.459 353 F HA 0.580 5.108 4.527 0.001 0.000 0.346 353 F C 1.443 177.213 175.800 -0.050 0.000 1.128 353 F CA -1.357 56.599 58.000 -0.073 0.000 1.268 353 F CB -0.085 38.858 39.000 -0.095 0.000 1.161 353 F HN 0.164 nan 8.300 nan 0.000 0.583 354 G N 1.378 110.241 108.800 0.106 0.000 2.403 354 G HA2 0.448 4.409 3.960 0.001 0.000 0.259 354 G HA3 0.448 4.409 3.960 0.001 0.000 0.259 354 G C -0.256 174.683 174.900 0.065 0.000 1.244 354 G CA -0.344 44.787 45.100 0.052 0.000 0.849 354 G HN 0.927 nan 8.290 nan 0.000 0.532 355 A N 2.661 125.516 122.820 0.058 0.000 2.555 355 A HA 0.361 4.682 4.320 0.001 0.000 0.233 355 A C 0.784 178.395 177.584 0.045 0.000 1.060 355 A CA 0.204 52.275 52.037 0.058 0.000 0.759 355 A CB 0.301 19.331 19.000 0.051 0.000 0.995 355 A HN 0.575 nan 8.150 nan 0.000 0.506 356 K N 1.135 121.567 120.400 0.054 0.000 2.109 356 K HA 0.280 4.601 4.320 0.001 0.000 0.243 356 K C -0.162 176.480 176.600 0.070 0.000 1.006 356 K CA -0.434 55.878 56.287 0.041 0.000 0.917 356 K CB 0.535 33.065 32.500 0.050 0.000 1.081 356 K HN 0.736 nan 8.250 nan 0.000 0.468 357 Q N 2.252 122.101 119.800 0.081 0.000 2.314 357 Q HA 0.123 4.464 4.340 0.001 0.000 0.257 357 Q C 0.202 176.384 176.000 0.303 0.000 0.975 357 Q CA -0.253 55.648 55.803 0.163 0.000 0.933 357 Q CB 0.845 29.690 28.738 0.179 0.000 1.195 357 Q HN 0.450 nan 8.270 nan 0.000 0.426 358 R N 2.291 122.937 120.500 0.244 0.000 2.490 358 R HA 0.206 4.547 4.340 0.001 0.000 0.278 358 R C 0.222 176.674 176.300 0.254 0.000 1.069 358 R CA -0.631 55.641 56.100 0.286 0.000 1.080 358 R CB 0.489 30.892 30.300 0.170 0.000 1.030 358 R HN 0.569 nan 8.270 nan 0.000 0.491 359 H N 0.396 119.508 119.070 0.069 0.000 2.690 359 H HA 0.089 4.646 4.556 0.001 0.000 0.365 359 H C -1.027 174.345 175.328 0.073 0.000 1.142 359 H CA -0.639 55.368 56.048 -0.069 0.000 1.417 359 H CB 0.659 30.293 29.762 -0.215 0.000 1.446 359 H HN 0.755 nan 8.280 nan 0.000 0.599 360 D N 2.077 122.461 120.400 -0.027 0.000 2.316 360 D HA 0.164 4.805 4.640 0.001 0.000 0.245 360 D C 0.799 177.000 176.300 -0.164 0.000 1.171 360 D CA -0.562 53.383 54.000 -0.092 0.000 0.856 360 D CB -0.061 40.723 40.800 -0.027 0.000 1.090 360 D HN 0.638 nan 8.370 nan 0.000 0.476 361 I N 0.419 120.796 120.570 -0.321 0.000 3.707 361 I HA 0.370 4.541 4.170 0.001 0.000 0.330 361 I C 0.982 176.954 176.117 -0.241 0.000 1.572 361 I CA -0.542 60.572 61.300 -0.311 0.000 1.104 361 I CB 0.614 38.282 38.000 -0.553 0.000 1.240 361 I HN 0.123 nan 8.210 nan 0.000 0.475 362 E N 2.489 122.589 120.200 -0.166 0.000 2.085 362 E HA -0.101 4.250 4.350 0.001 0.000 0.194 362 E C -0.415 176.130 176.600 -0.091 0.000 0.994 362 E CA 1.582 57.908 56.400 -0.122 0.000 0.801 362 E CB -1.357 28.298 29.700 -0.074 0.000 0.743 362 E HN 0.475 nan 8.360 nan 0.000 0.453 363 P HA -0.137 nan 4.420 nan 0.000 0.216 363 P C 1.642 178.820 177.300 -0.202 0.000 1.150 363 P CA 0.769 63.877 63.100 0.013 0.000 0.837 363 P CB -0.034 31.800 31.700 0.224 0.000 0.786 364 L N -0.446 120.659 121.223 -0.196 0.000 2.072 364 L HA -0.037 4.304 4.340 0.001 0.000 0.205 364 L C 2.297 178.968 176.870 -0.330 0.000 1.079 364 L CA 1.724 56.330 54.840 -0.391 0.000 0.752 364 L CB -0.874 41.089 42.059 -0.161 0.000 0.906 364 L HN -0.220 nan 8.230 nan 0.000 0.436 365 R N -0.552 119.811 120.500 -0.229 0.000 2.081 365 R HA -0.082 4.259 4.340 0.001 0.000 0.235 365 R C 2.238 178.460 176.300 -0.130 0.000 1.131 365 R CA 1.284 57.283 56.100 -0.169 0.000 0.960 365 R CB -0.616 29.592 30.300 -0.153 0.000 0.856 365 R HN 0.514 nan 8.270 nan 0.000 0.436 366 A N 1.071 123.811 122.820 -0.134 0.000 1.902 366 A HA -0.197 4.123 4.320 0.001 0.000 0.217 366 A C 2.121 179.645 177.584 -0.099 0.000 1.181 366 A CA 1.475 53.457 52.037 -0.091 0.000 0.623 366 A CB -0.345 18.613 19.000 -0.070 0.000 0.818 366 A HN 0.092 nan 8.150 nan 0.000 0.443 367 R N 0.012 120.376 120.500 -0.228 0.000 2.115 367 R HA 0.068 4.409 4.340 0.001 0.000 0.230 367 R C 1.661 177.933 176.300 -0.046 0.000 1.111 367 R CA 1.437 57.403 56.100 -0.223 0.000 0.976 367 R CB -0.722 29.149 30.300 -0.715 0.000 0.870 367 R HN 0.567 nan 8.270 nan 0.000 0.445 368 I N -0.061 120.458 120.570 -0.084 0.000 2.233 368 I HA -0.158 4.012 4.170 0.001 0.000 0.243 368 I C 2.204 178.415 176.117 0.156 0.000 1.093 368 I CA 1.252 62.612 61.300 0.101 0.000 1.380 368 I CB -0.358 37.656 38.000 0.023 0.000 1.067 368 I HN 0.244 nan 8.210 nan 0.000 0.413 369 A N 0.032 122.889 122.820 0.061 0.000 1.940 369 A HA -0.286 4.035 4.320 0.001 0.000 0.219 369 A C 2.310 179.928 177.584 0.056 0.000 1.176 369 A CA 2.034 54.102 52.037 0.051 0.000 0.631 369 A CB -0.656 18.353 19.000 0.015 0.000 0.814 369 A HN 0.519 nan 8.150 nan 0.000 0.446 370 E N -1.363 118.878 120.200 0.068 0.000 2.072 370 E HA -0.168 4.183 4.350 0.001 0.000 0.191 370 E C 1.681 178.310 176.600 0.047 0.000 0.985 370 E CA 1.046 57.477 56.400 0.052 0.000 0.801 370 E CB -0.210 29.522 29.700 0.054 0.000 0.750 370 E HN 0.573 nan 8.360 nan 0.000 0.452 371 F N 0.983 120.864 119.950 -0.114 0.000 2.134 371 F HA -0.147 4.381 4.527 0.001 0.000 0.299 371 F C 2.234 177.917 175.800 -0.195 0.000 1.097 371 F CA 1.078 58.926 58.000 -0.254 0.000 1.264 371 F CB -0.225 38.522 39.000 -0.423 0.000 1.001 371 F HN 0.050 nan 8.300 nan 0.000 0.479 372 L N -1.055 120.156 121.223 -0.020 0.000 2.201 372 L HA -0.151 4.190 4.340 0.001 0.000 0.212 372 L C 2.298 179.179 176.870 0.018 0.000 1.105 372 L CA 1.055 55.869 54.840 -0.043 0.000 0.775 372 L CB -0.681 41.374 42.059 -0.007 0.000 0.913 372 L HN 0.116 nan 8.230 nan 0.000 0.440 373 A N -1.785 121.051 122.820 0.026 0.000 2.267 373 A HA -0.039 4.282 4.320 0.001 0.000 0.213 373 A C 0.607 178.204 177.584 0.021 0.000 1.192 373 A CA -0.253 51.796 52.037 0.020 0.000 0.851 373 A CB -0.232 18.776 19.000 0.013 0.000 0.881 373 A HN 0.240 nan 8.150 nan 0.000 0.494 374 D N 1.488 121.910 120.400 0.037 0.000 2.899 374 D HA -0.058 4.583 4.640 0.001 0.000 0.254 374 D C -1.386 174.937 176.300 0.039 0.000 1.320 374 D CA -0.595 53.434 54.000 0.048 0.000 0.929 374 D CB 0.846 41.738 40.800 0.153 0.000 1.148 374 D HN 0.244 nan 8.370 nan 0.000 0.571 375 P HA 0.019 nan 4.420 nan 0.000 0.251 375 P C 0.422 177.692 177.300 -0.051 0.000 1.223 375 P CA -0.007 63.083 63.100 -0.018 0.000 0.796 375 P CB 0.369 32.054 31.700 -0.026 0.000 1.068 376 E N 0.375 120.522 120.200 -0.088 0.000 2.418 376 E HA 0.099 4.450 4.350 0.001 0.000 0.261 376 E C -0.366 176.077 176.600 -0.262 0.000 1.070 376 E CA 0.607 56.858 56.400 -0.249 0.000 0.931 376 E CB 0.403 29.818 29.700 -0.475 0.000 0.954 376 E HN -0.023 nan 8.360 nan 0.000 0.439 377 T N 2.967 117.326 114.554 -0.325 0.000 2.779 377 T HA 0.332 4.683 4.350 0.001 0.000 0.280 377 T C -1.112 173.400 174.700 -0.313 0.000 0.987 377 T CA -0.399 61.584 62.100 -0.195 0.000 0.966 377 T CB 0.230 69.031 68.868 -0.111 0.000 0.933 377 T HN 0.235 nan 8.240 nan 0.000 0.442 378 Y N 0.872 121.141 120.300 -0.051 0.000 2.419 378 Y HA 0.495 5.046 4.550 0.001 0.000 0.328 378 Y C 1.747 177.619 175.900 -0.046 0.000 1.162 378 Y CA -0.612 57.459 58.100 -0.048 0.000 1.174 378 Y CB 0.574 38.999 38.460 -0.059 0.000 1.228 378 Y HN 0.813 nan 8.280 nan 0.000 0.473 379 E N 1.319 121.580 120.200 0.102 0.000 2.007 379 E HA -0.201 4.150 4.350 0.001 0.000 0.194 379 E C 1.129 177.751 176.600 0.037 0.000 0.999 379 E CA 2.165 58.591 56.400 0.043 0.000 0.811 379 E CB -0.975 28.742 29.700 0.029 0.000 0.762 379 E HN 0.832 nan 8.360 nan 0.000 0.450 380 D N -0.006 120.417 120.400 0.038 0.000 2.003 380 D HA 0.248 4.888 4.640 0.001 0.000 0.251 380 D C 1.438 177.725 176.300 -0.023 0.000 1.063 380 D CA 1.104 55.101 54.000 -0.005 0.000 0.968 380 D CB -1.057 39.724 40.800 -0.032 0.000 1.349 380 D HN 0.579 nan 8.370 nan 0.000 0.514 381 G N -1.324 107.438 108.800 -0.063 0.000 3.119 381 G HA2 0.590 4.551 3.960 0.001 0.000 0.206 381 G HA3 0.590 4.551 3.960 0.001 0.000 0.206 381 G C -0.282 174.566 174.900 -0.087 0.000 1.313 381 G CA -0.807 44.239 45.100 -0.090 0.000 1.010 381 G HN 0.163 nan 8.290 nan 0.000 0.578 382 M N 0.060 119.578 119.600 -0.138 0.000 2.267 382 M HA 0.420 4.901 4.480 0.001 0.000 0.303 382 M C 0.191 176.292 176.300 -0.331 0.000 1.164 382 M CA -0.382 54.818 55.300 -0.166 0.000 1.060 382 M CB 1.049 33.560 32.600 -0.148 0.000 1.455 382 M HN 0.190 nan 8.290 nan 0.000 0.483 383 R N 0.467 120.705 120.500 -0.437 0.000 2.540 383 R HA 0.305 4.646 4.340 0.001 0.000 0.287 383 R C 0.761 176.736 176.300 -0.541 0.000 0.980 383 R CA -0.368 55.381 56.100 -0.585 0.000 0.966 383 R CB 1.141 30.933 30.300 -0.847 0.000 1.106 383 R HN 0.552 nan 8.270 nan 0.000 0.480 384 V N 2.370 122.022 119.914 -0.438 0.000 2.407 384 V HA -0.275 3.846 4.120 0.001 0.000 0.248 384 V C 2.003 178.023 176.094 -0.124 0.000 1.055 384 V CA 2.320 64.449 62.300 -0.285 0.000 1.049 384 V CB -0.881 30.705 31.823 -0.394 0.000 0.662 384 V HN 0.845 nan 8.190 nan 0.000 0.455 385 H N -0.036 119.062 119.070 0.045 0.000 2.421 385 H HA -0.158 4.399 4.556 0.001 0.000 0.298 385 H C 2.132 177.403 175.328 -0.096 0.000 1.087 385 H CA 1.480 57.497 56.048 -0.051 0.000 1.330 385 H CB -0.566 29.089 29.762 -0.178 0.000 1.388 385 H HN 0.439 nan 8.280 nan 0.000 0.526 386 Q N 0.763 120.395 119.800 -0.279 0.000 2.167 386 Q HA -0.060 4.281 4.340 0.001 0.000 0.202 386 Q C 2.446 178.399 176.000 -0.079 0.000 0.970 386 Q CA 1.351 57.075 55.803 -0.133 0.000 0.855 386 Q CB 0.115 28.764 28.738 -0.148 0.000 0.911 386 Q HN 0.401 nan 8.270 nan 0.000 0.438 387 V N 0.675 120.530 119.914 -0.098 0.000 2.358 387 V HA -0.240 3.881 4.120 0.001 0.000 0.246 387 V C 2.031 178.137 176.094 0.020 0.000 1.047 387 V CA 1.547 63.816 62.300 -0.052 0.000 1.035 387 V CB -0.345 31.431 31.823 -0.078 0.000 0.658 387 V HN 0.311 nan 8.190 nan 0.000 0.452 388 I N 0.315 120.925 120.570 0.067 0.000 2.353 388 I HA -0.204 3.967 4.170 0.001 0.000 0.248 388 I C 2.272 178.461 176.117 0.121 0.000 1.119 388 I CA 1.751 63.136 61.300 0.142 0.000 1.417 388 I CB -0.351 37.792 38.000 0.239 0.000 1.078 388 I HN 0.341 nan 8.210 nan 0.000 0.421 389 D N 0.380 120.822 120.400 0.071 0.000 2.123 389 D HA -0.182 4.459 4.640 0.001 0.000 0.196 389 D C 2.220 178.559 176.300 0.066 0.000 0.992 389 D CA 1.721 55.757 54.000 0.060 0.000 0.833 389 D CB 0.133 40.947 40.800 0.025 0.000 0.954 389 D HN 0.185 nan 8.370 nan 0.000 0.455 390 S N -0.570 115.159 115.700 0.049 0.000 2.368 390 S HA -0.160 4.311 4.470 0.001 0.000 0.225 390 S C 2.068 176.723 174.600 0.092 0.000 1.030 390 S CA 0.999 59.228 58.200 0.048 0.000 0.999 390 S CB -0.293 62.915 63.200 0.013 0.000 0.844 390 S HN 0.334 nan 8.310 nan 0.000 0.459 391 M N 1.673 121.344 119.600 0.119 0.000 2.108 391 M HA -0.124 4.357 4.480 0.001 0.000 0.261 391 M C 1.860 178.331 176.300 0.285 0.000 1.066 391 M CA 1.147 56.586 55.300 0.233 0.000 1.107 391 M CB -0.583 32.171 32.600 0.256 0.000 1.356 391 M HN 0.204 nan 8.290 nan 0.000 0.406 392 N N -0.073 118.741 118.700 0.190 0.000 2.084 392 N HA -0.118 4.623 4.740 0.001 0.000 0.190 392 N C 1.689 177.273 175.510 0.124 0.000 1.030 392 N CA 1.864 55.003 53.050 0.147 0.000 0.849 392 N CB -0.878 37.681 38.487 0.118 0.000 1.012 392 N HN 0.299 nan 8.380 nan 0.000 0.423 393 T N 0.932 115.553 114.554 0.112 0.000 2.665 393 T HA -0.075 4.276 4.350 0.001 0.000 0.268 393 T C 2.052 176.816 174.700 0.107 0.000 1.035 393 T CA 1.242 63.396 62.100 0.089 0.000 1.151 393 T CB -0.304 68.606 68.868 0.070 0.000 0.862 393 T HN 0.009 nan 8.240 nan 0.000 0.438 394 V N 1.003 121.016 119.914 0.165 0.000 2.591 394 V HA -0.051 4.069 4.120 0.001 0.000 0.249 394 V C 2.328 178.560 176.094 0.230 0.000 1.053 394 V CA 1.283 63.708 62.300 0.209 0.000 1.068 394 V CB -0.575 31.393 31.823 0.242 0.000 0.689 394 V HN 0.376 nan 8.190 nan 0.000 0.462 395 M N 1.110 120.833 119.600 0.205 0.000 2.117 395 M HA -0.185 4.296 4.480 0.001 0.000 0.262 395 M C 2.076 178.348 176.300 -0.047 0.000 1.065 395 M CA 2.094 57.328 55.300 -0.109 0.000 1.114 395 M CB -0.718 31.758 32.600 -0.208 0.000 1.361 395 M HN 0.446 nan 8.290 nan 0.000 0.408 396 E N -0.441 119.769 120.200 0.016 0.000 2.204 396 E HA -0.233 4.117 4.350 0.001 0.000 0.195 396 E C 1.661 178.272 176.600 0.017 0.000 0.990 396 E CA 1.580 57.989 56.400 0.015 0.000 0.821 396 E CB -0.109 29.610 29.700 0.031 0.000 0.750 396 E HN 0.741 nan 8.360 nan 0.000 0.477 397 E N -0.004 120.216 120.200 0.034 0.000 2.051 397 E HA -0.087 4.264 4.350 0.001 0.000 0.189 397 E C 2.009 178.624 176.600 0.025 0.000 0.979 397 E CA 0.859 57.279 56.400 0.033 0.000 0.803 397 E CB -0.049 29.680 29.700 0.048 0.000 0.761 397 E HN 0.347 nan 8.360 nan 0.000 0.451 398 A N 1.288 124.124 122.820 0.028 0.000 1.970 398 A HA 0.205 4.526 4.320 0.001 0.000 0.216 398 A C 1.326 178.904 177.584 -0.011 0.000 1.170 398 A CA 0.771 52.821 52.037 0.021 0.000 0.645 398 A CB -0.043 18.990 19.000 0.054 0.000 0.816 398 A HN 0.213 nan 8.150 nan 0.000 0.447 399 A N 0.724 123.522 122.820 -0.037 0.000 2.309 399 A HA 0.533 4.854 4.320 0.001 0.000 0.298 399 A C -0.099 177.475 177.584 -0.017 0.000 1.165 399 A CA -0.640 51.372 52.037 -0.041 0.000 0.821 399 A CB 0.292 19.249 19.000 -0.072 0.000 1.102 399 A HN 0.308 nan 8.150 nan 0.000 0.500 400 E N 1.858 122.052 120.200 -0.010 0.000 2.459 400 E HA 0.101 4.452 4.350 0.001 0.000 0.264 400 E C -2.183 174.417 176.600 -0.000 0.000 1.055 400 E CA -1.186 55.213 56.400 -0.002 0.000 0.957 400 E CB -0.294 29.407 29.700 0.002 0.000 0.952 400 E HN 0.402 nan 8.360 nan 0.000 0.448 401 P HA 0.025 nan 4.420 nan 0.000 0.265 401 P C 0.580 177.886 177.300 0.010 0.000 1.193 401 P CA 0.581 63.686 63.100 0.008 0.000 0.765 401 P CB 0.354 32.060 31.700 0.009 0.000 0.823 402 G N 1.232 110.040 108.800 0.014 0.000 2.153 402 G HA2 -0.235 3.726 3.960 0.001 0.000 0.252 402 G HA3 -0.235 3.726 3.960 0.001 0.000 0.252 402 G C -0.064 174.846 174.900 0.017 0.000 0.994 402 G CA 0.091 45.202 45.100 0.018 0.000 0.698 402 G HN 0.607 nan 8.290 nan 0.000 0.521 403 E N -1.279 118.927 120.200 0.009 0.000 2.423 403 E HA 0.658 5.009 4.350 0.001 0.000 0.269 403 E C 0.371 176.963 176.600 -0.014 0.000 0.948 403 E CA -0.502 55.901 56.400 0.004 0.000 0.802 403 E CB 1.992 31.692 29.700 -0.000 0.000 1.339 403 E HN 1.552 nan 8.360 nan 0.000 0.445 404 G N 0.251 109.036 108.800 -0.026 0.000 2.692 404 G HA2 -0.095 3.866 3.960 0.001 0.000 0.686 404 G HA3 -0.095 3.866 3.960 0.001 0.000 0.686 404 G C -0.835 174.049 174.900 -0.026 0.000 1.243 404 G CA -0.610 44.449 45.100 -0.068 0.000 0.782 404 G HN 0.384 nan 8.290 nan 0.000 0.625 405 T N 1.380 115.906 114.554 -0.045 0.000 2.879 405 T HA 0.623 4.973 4.350 0.001 0.000 0.290 405 T C 0.242 174.956 174.700 0.023 0.000 0.993 405 T CA -0.438 61.673 62.100 0.019 0.000 0.975 405 T CB 1.434 70.318 68.868 0.027 0.000 0.981 405 T HN 0.663 nan 8.240 nan 0.000 0.439 406 I N 2.948 123.585 120.570 0.111 0.000 2.336 406 I HA 0.473 4.644 4.170 0.001 0.000 0.292 406 I C -0.352 175.825 176.117 0.101 0.000 0.991 406 I CA -0.931 60.487 61.300 0.197 0.000 1.227 406 I CB 1.502 39.704 38.000 0.337 0.000 1.366 406 I HN 0.277 nan 8.210 nan 0.000 0.466 407 V N 5.002 124.961 119.914 0.076 0.000 2.483 407 V HA 0.443 4.564 4.120 0.001 0.000 0.295 407 V C -0.024 176.093 176.094 0.038 0.000 1.035 407 V CA -0.441 61.841 62.300 -0.030 0.000 0.896 407 V CB 1.792 33.626 31.823 0.019 0.000 0.986 407 V HN 0.768 nan 8.190 nan 0.000 0.447 408 S N 2.755 118.423 115.700 -0.053 0.000 2.500 408 S HA 0.395 4.866 4.470 0.001 0.000 0.301 408 S C -0.445 174.288 174.600 0.220 0.000 1.092 408 S CA -0.677 57.618 58.200 0.158 0.000 1.030 408 S CB 1.509 64.814 63.200 0.176 0.000 1.031 408 S HN 0.870 nan 8.310 nan 0.000 0.483 409 D N 1.982 122.621 120.400 0.399 0.000 2.348 409 D HA 0.272 4.913 4.640 0.001 0.000 0.272 409 D C -0.117 176.326 176.300 0.238 0.000 1.237 409 D CA -0.092 54.167 54.000 0.432 0.000 1.042 409 D CB 0.444 41.556 40.800 0.520 0.000 1.117 409 D HN 0.466 nan 8.370 nan 0.000 0.548 410 I N -0.690 120.042 120.570 0.270 0.000 2.530 410 I HA 0.614 4.785 4.170 0.001 0.000 0.297 410 I C 0.909 177.075 176.117 0.082 0.000 1.011 410 I CA -0.344 60.965 61.300 0.016 0.000 1.107 410 I CB 0.626 38.689 38.000 0.105 0.000 1.285 410 I HN 0.607 nan 8.210 nan 0.000 0.436 411 G N 3.630 112.309 108.800 -0.200 0.000 2.359 411 G HA2 0.069 4.030 3.960 0.001 0.000 0.293 411 G HA3 0.069 4.030 3.960 0.001 0.000 0.293 411 G C -0.315 174.517 174.900 -0.114 0.000 1.300 411 G CA -0.676 44.443 45.100 0.032 0.000 0.888 411 G HN 0.330 nan 8.290 nan 0.000 0.541 412 F N 0.878 120.799 119.950 -0.049 0.000 2.120 412 F HA -0.016 4.512 4.527 0.002 0.000 0.300 412 F C 2.558 178.365 175.800 0.013 0.000 1.095 412 F CA 2.614 60.548 58.000 -0.110 0.000 1.249 412 F CB -0.493 38.348 39.000 -0.266 0.000 0.995 412 F HN 0.465 nan 8.300 nan 0.000 0.480 413 F N 0.051 120.043 119.950 0.070 0.000 2.269 413 F HA -0.051 4.477 4.527 0.001 0.000 0.301 413 F C 2.347 178.208 175.800 0.102 0.000 1.082 413 F CA 1.333 59.369 58.000 0.061 0.000 1.360 413 F CB -1.340 37.731 39.000 0.118 0.000 1.041 413 F HN -0.122 nan 8.300 nan 0.000 0.512 414 R N 0.798 120.634 120.500 -1.107 0.000 2.096 414 R HA -0.180 4.160 4.340 0.001 0.000 0.235 414 R C 2.071 178.035 176.300 -0.560 0.000 1.127 414 R CA 2.008 57.601 56.100 -0.845 0.000 0.968 414 R CB -1.061 28.634 30.300 -1.009 0.000 0.861 414 R HN 0.468 nan 8.270 nan 0.000 0.440 415 H N -1.010 117.820 119.070 -0.400 0.000 2.491 415 H HA -0.114 4.443 4.556 0.001 0.000 0.290 415 H C 1.667 176.792 175.328 -0.338 0.000 1.050 415 H CA 1.187 56.988 56.048 -0.411 0.000 1.309 415 H CB -0.170 29.289 29.762 -0.504 0.000 1.392 415 H HN 0.269 nan 8.280 nan 0.000 0.554 416 Y N 0.742 120.927 120.300 -0.191 0.000 2.200 416 Y HA -0.088 4.463 4.550 0.001 0.000 0.290 416 Y C 2.885 178.784 175.900 -0.001 0.000 1.137 416 Y CA 1.021 59.132 58.100 0.017 0.000 1.163 416 Y CB -0.657 37.971 38.460 0.281 0.000 0.988 416 Y HN 0.196 nan 8.280 nan 0.000 0.518 417 G N -0.368 108.511 108.800 0.132 0.000 2.469 417 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 417 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 417 G C 1.832 176.384 174.900 -0.581 0.000 1.150 417 G CA 1.510 46.593 45.100 -0.029 0.000 0.763 417 G HN 0.288 nan 8.290 nan 0.000 0.561 418 V N 0.839 120.437 119.914 -0.527 0.000 2.295 418 V HA -0.139 3.982 4.120 0.001 0.000 0.246 418 V C 2.932 178.732 176.094 -0.489 0.000 1.049 418 V CA 1.693 63.650 62.300 -0.571 0.000 1.024 418 V CB -0.425 31.163 31.823 -0.392 0.000 0.648 418 V HN 0.359 nan 8.190 nan 0.000 0.447 419 L N -1.680 119.205 121.223 -0.564 0.000 2.093 419 L HA -0.090 4.251 4.340 0.001 0.000 0.208 419 L C 2.117 178.609 176.870 -0.632 0.000 1.085 419 L CA 1.558 55.938 54.840 -0.766 0.000 0.755 419 L CB -0.336 40.883 42.059 -1.400 0.000 0.904 419 L HN 0.304 nan 8.230 nan 0.000 0.435 420 F N -0.802 119.057 119.950 -0.151 0.000 2.712 420 F HA 0.354 4.881 4.527 0.001 0.000 0.297 420 F C 1.337 177.099 175.800 -0.064 0.000 1.114 420 F CA -0.778 57.184 58.000 -0.064 0.000 1.305 420 F CB -0.465 38.563 39.000 0.047 0.000 1.086 420 F HN -0.211 nan 8.300 nan 0.000 0.599 421 A N 1.978 124.786 122.820 -0.020 0.000 2.440 421 A HA 0.363 4.684 4.320 0.001 0.000 0.251 421 A C 0.663 178.238 177.584 -0.014 0.000 1.089 421 A CA -0.429 51.600 52.037 -0.014 0.000 0.779 421 A CB 0.050 18.981 19.000 -0.115 0.000 1.022 421 A HN 0.341 nan 8.150 nan 0.000 0.492 422 R N 1.920 122.467 120.500 0.078 0.000 2.438 422 R HA 0.499 4.840 4.340 0.001 0.000 0.287 422 R C -0.522 175.837 176.300 0.100 0.000 1.077 422 R CA 0.411 56.555 56.100 0.073 0.000 1.034 422 R CB 0.526 30.873 30.300 0.078 0.000 0.993 422 R HN 0.799 nan 8.270 nan 0.000 0.459 423 A N 3.802 126.673 122.820 0.085 0.000 2.411 423 A HA 0.212 4.533 4.320 0.001 0.000 0.285 423 A C -0.827 176.801 177.584 0.074 0.000 1.129 423 A CA -0.759 51.344 52.037 0.111 0.000 0.736 423 A CB 1.547 20.636 19.000 0.148 0.000 1.186 423 A HN 0.879 nan 8.150 nan 0.000 0.445 424 D N 1.345 121.782 120.400 0.062 0.000 2.395 424 D HA 0.150 4.791 4.640 0.001 0.000 0.213 424 D C 0.498 176.822 176.300 0.039 0.000 1.110 424 D CA 0.745 54.773 54.000 0.046 0.000 0.835 424 D CB 0.299 41.119 40.800 0.035 0.000 0.965 424 D HN 0.757 nan 8.370 nan 0.000 0.505 425 Q N -1.445 118.380 119.800 0.042 0.000 2.511 425 Q HA 0.560 4.901 4.340 0.001 0.000 0.289 425 Q C -2.976 173.026 176.000 0.003 0.000 1.021 425 Q CA -2.244 53.572 55.803 0.022 0.000 0.785 425 Q CB 1.402 30.159 28.738 0.030 0.000 1.472 425 Q HN -0.254 nan 8.270 nan 0.000 0.411 426 P HA 0.052 nan 4.420 nan 0.000 0.265 426 P C -0.898 176.309 177.300 -0.156 0.000 1.193 426 P CA 0.291 63.249 63.100 -0.236 0.000 0.765 426 P CB -0.031 31.440 31.700 -0.382 0.000 0.823 427 F N 0.780 120.773 119.950 0.071 0.000 3.084 427 F HA -0.185 4.343 4.527 0.001 0.000 0.286 427 F C 1.633 177.475 175.800 0.070 0.000 0.855 427 F CA 1.118 59.158 58.000 0.066 0.000 1.091 427 F CB -2.634 36.389 39.000 0.039 0.000 1.177 427 F HN 0.483 nan 8.300 nan 0.000 0.542 428 G N -1.209 107.724 108.800 0.222 0.000 2.464 428 G HA2 0.049 4.010 3.960 0.001 0.000 0.217 428 G HA3 0.049 4.010 3.960 0.001 0.000 0.217 428 G C 0.187 175.234 174.900 0.246 0.000 1.138 428 G CA 0.606 45.814 45.100 0.180 0.000 0.793 428 G HN 0.340 nan 8.290 nan 0.000 0.539 429 F N 0.751 120.781 119.950 0.133 0.000 2.449 429 F HA 0.689 5.217 4.527 0.001 0.000 0.342 429 F C -1.466 174.434 175.800 0.167 0.000 1.127 429 F CA -1.721 56.358 58.000 0.131 0.000 0.975 429 F CB 1.734 40.800 39.000 0.111 0.000 1.146 429 F HN -0.245 nan 8.300 nan 0.000 0.444 430 L N 5.666 126.597 121.223 -0.487 0.000 2.349 430 L HA 0.647 4.988 4.340 0.001 0.000 0.278 430 L C -0.161 176.455 176.870 -0.423 0.000 0.996 430 L CA -0.232 54.436 54.840 -0.285 0.000 0.825 430 L CB 1.426 43.430 42.059 -0.092 0.000 1.243 430 L HN 0.786 nan 8.230 nan 0.000 0.412 431 T N 0.991 115.389 114.554 -0.261 0.000 2.754 431 T HA 0.441 4.792 4.350 0.001 0.000 0.296 431 T C -1.074 173.434 174.700 -0.320 0.000 1.205 431 T CA -0.413 61.554 62.100 -0.222 0.000 1.009 431 T CB 1.687 70.378 68.868 -0.295 0.000 1.368 431 T HN 0.391 nan 8.240 nan 0.000 0.509 432 S N 1.014 116.280 115.700 -0.724 0.000 2.404 432 S HA 0.585 5.056 4.470 0.001 0.000 0.309 432 S C 1.062 175.544 174.600 -0.198 0.000 1.076 432 S CA -0.020 57.799 58.200 -0.635 0.000 1.095 432 S CB 0.133 62.711 63.200 -1.037 0.000 0.972 432 S HN 0.809 nan 8.310 nan 0.000 0.484 433 A N 4.436 127.223 122.820 -0.054 0.000 1.975 433 A HA 0.275 4.596 4.320 0.001 0.000 0.215 433 A C 1.870 179.430 177.584 -0.040 0.000 1.170 433 A CA 1.129 53.185 52.037 0.032 0.000 0.656 433 A CB -0.780 18.168 19.000 -0.087 0.000 0.821 433 A HN 0.853 nan 8.150 nan 0.000 0.449 434 G N -1.824 106.934 108.800 -0.070 0.000 2.559 434 G HA2 -0.032 3.929 3.960 0.001 0.000 0.209 434 G HA3 -0.032 3.929 3.960 0.001 0.000 0.209 434 G C 1.592 176.462 174.900 -0.050 0.000 1.151 434 G CA 1.072 46.131 45.100 -0.070 0.000 0.824 434 G HN 0.535 nan 8.290 nan 0.000 0.543 435 C N -0.263 119.010 119.300 -0.044 0.000 2.520 435 C HA 0.429 4.890 4.460 0.001 0.000 0.291 435 C C 1.668 176.645 174.990 -0.022 0.000 1.364 435 C CA 1.271 60.278 59.018 -0.019 0.000 1.781 435 C CB -0.368 27.383 27.740 0.018 0.000 2.171 435 C HN 0.452 nan 8.230 nan 0.000 0.516 436 S N 1.360 117.028 115.700 -0.054 0.000 3.783 436 S HA -0.159 4.312 4.470 0.001 0.000 0.360 436 S C 0.085 174.691 174.600 0.009 0.000 1.006 436 S CA 0.731 58.898 58.200 -0.055 0.000 1.115 436 S CB -1.884 61.304 63.200 -0.020 0.000 0.893 436 S HN 0.913 nan 8.310 nan 0.000 0.475 437 S N 2.321 118.076 115.700 0.092 0.000 2.510 437 S HA 0.488 4.959 4.470 0.001 0.000 0.279 437 S C 0.656 175.454 174.600 0.330 0.000 1.284 437 S CA -0.740 57.556 58.200 0.160 0.000 1.059 437 S CB -0.100 63.241 63.200 0.236 0.000 0.901 437 S HN 0.550 nan 8.310 nan 0.000 0.491 438 F N 3.780 123.776 119.950 0.076 0.000 2.589 438 F HA 0.492 5.020 4.527 0.001 0.000 0.352 438 F C 1.286 177.164 175.800 0.130 0.000 1.168 438 F CA -0.684 57.393 58.000 0.128 0.000 1.353 438 F CB -1.180 37.892 39.000 0.120 0.000 1.116 438 F HN 0.840 nan 8.300 nan 0.000 0.608 439 G N 2.235 111.213 108.800 0.296 0.000 2.217 439 G HA2 -0.399 3.561 3.960 0.001 0.000 0.246 439 G HA3 -0.399 3.561 3.960 0.001 0.000 0.246 439 G C 0.759 175.940 174.900 0.470 0.000 0.990 439 G CA 0.364 45.600 45.100 0.226 0.000 0.627 439 G HN 1.047 nan 8.290 nan 0.000 0.522 440 Y N 1.852 122.387 120.300 0.393 0.000 2.256 440 Y HA 0.081 4.632 4.550 0.001 0.000 0.288 440 Y C 2.530 178.473 175.900 0.072 0.000 1.155 440 Y CA 2.477 60.707 58.100 0.217 0.000 1.203 440 Y CB -0.488 38.087 38.460 0.192 0.000 0.980 440 Y HN 0.280 nan 8.280 nan 0.000 0.530 441 G N 1.052 109.982 108.800 0.217 0.000 2.514 441 G HA2 -0.324 3.637 3.960 0.001 0.000 0.217 441 G HA3 -0.324 3.637 3.960 0.001 0.000 0.217 441 G C 1.719 176.609 174.900 -0.017 0.000 1.198 441 G CA 1.652 46.826 45.100 0.123 0.000 0.780 441 G HN 0.504 nan 8.290 nan 0.000 0.565 442 I N 1.974 122.551 120.570 0.012 0.000 2.091 442 I HA -0.151 4.020 4.170 0.001 0.000 0.239 442 I C 0.136 176.173 176.117 -0.133 0.000 1.061 442 I CA 1.583 62.869 61.300 -0.022 0.000 1.317 442 I CB -0.982 36.996 38.000 -0.036 0.000 1.031 442 I HN 0.214 nan 8.210 nan 0.000 0.401 443 P HA -0.166 nan 4.420 nan 0.000 0.217 443 P C 1.352 178.398 177.300 -0.423 0.000 1.150 443 P CA 1.998 64.894 63.100 -0.341 0.000 0.832 443 P CB -0.079 31.336 31.700 -0.475 0.000 0.787 444 A N 0.484 122.967 122.820 -0.562 0.000 1.930 444 A HA -0.027 4.294 4.320 0.001 0.000 0.217 444 A C 2.462 179.881 177.584 -0.275 0.000 1.175 444 A CA 2.026 53.730 52.037 -0.554 0.000 0.627 444 A CB -1.474 17.012 19.000 -0.857 0.000 0.815 444 A HN 0.225 nan 8.150 nan 0.000 0.443 445 A N -0.161 122.552 122.820 -0.177 0.000 1.930 445 A HA -0.023 4.298 4.320 0.001 0.000 0.217 445 A C 2.096 179.644 177.584 -0.059 0.000 1.175 445 A CA 1.365 53.361 52.037 -0.067 0.000 0.627 445 A CB -0.536 18.466 19.000 0.004 0.000 0.815 445 A HN 0.486 nan 8.150 nan 0.000 0.443 446 I N -0.382 120.135 120.570 -0.088 0.000 2.179 446 I HA -0.211 3.960 4.170 0.001 0.000 0.242 446 I C 2.703 178.782 176.117 -0.062 0.000 1.088 446 I CA 1.260 62.529 61.300 -0.052 0.000 1.357 446 I CB -0.542 37.424 38.000 -0.057 0.000 1.051 446 I HN 0.402 nan 8.210 nan 0.000 0.409 447 G N 0.170 108.871 108.800 -0.165 0.000 2.402 447 G HA2 -0.197 3.764 3.960 0.001 0.000 0.216 447 G HA3 -0.197 3.764 3.960 0.001 0.000 0.216 447 G C 1.841 176.685 174.900 -0.094 0.000 1.162 447 G CA 0.761 45.756 45.100 -0.175 0.000 0.777 447 G HN 0.487 nan 8.290 nan 0.000 0.539 448 A N 0.214 122.977 122.820 -0.095 0.000 1.898 448 A HA -0.067 4.254 4.320 0.001 0.000 0.216 448 A C 2.305 179.883 177.584 -0.011 0.000 1.181 448 A CA 2.213 54.219 52.037 -0.050 0.000 0.620 448 A CB -0.409 18.563 19.000 -0.048 0.000 0.819 448 A HN 0.406 nan 8.150 nan 0.000 0.442 449 Q N -0.635 119.164 119.800 -0.002 0.000 2.172 449 Q HA 0.025 4.366 4.340 0.001 0.000 0.200 449 Q C 1.898 177.914 176.000 0.026 0.000 0.964 449 Q CA 1.710 57.526 55.803 0.020 0.000 0.855 449 Q CB -0.379 28.378 28.738 0.032 0.000 0.918 449 Q HN 0.680 nan 8.270 nan 0.000 0.444 450 M N -1.134 118.484 119.600 0.030 0.000 2.254 450 M HA 0.002 4.483 4.480 0.001 0.000 0.265 450 M C 1.936 178.260 176.300 0.039 0.000 1.066 450 M CA 1.203 56.531 55.300 0.047 0.000 1.123 450 M CB -0.064 32.592 32.600 0.094 0.000 1.388 450 M HN 0.317 nan 8.290 nan 0.000 0.425 451 A N 0.307 123.143 122.820 0.027 0.000 1.970 451 A HA 0.004 4.324 4.320 0.001 0.000 0.216 451 A C 1.274 178.875 177.584 0.028 0.000 1.170 451 A CA 0.963 53.015 52.037 0.025 0.000 0.645 451 A CB -0.067 18.938 19.000 0.009 0.000 0.816 451 A HN 0.402 nan 8.150 nan 0.000 0.447 452 R N -0.376 120.139 120.500 0.025 0.000 2.748 452 R HA 0.200 4.541 4.340 0.001 0.000 0.283 452 R C -2.171 174.142 176.300 0.023 0.000 1.507 452 R CA -1.520 54.595 56.100 0.026 0.000 1.666 452 R CB 0.927 31.243 30.300 0.026 0.000 1.237 452 R HN 0.285 nan 8.270 nan 0.000 0.633 453 P HA -0.143 nan 4.420 nan 0.000 0.219 453 P C -0.144 177.169 177.300 0.022 0.000 1.146 453 P CA 1.234 64.348 63.100 0.023 0.000 0.808 453 P CB 0.357 32.069 31.700 0.021 0.000 0.779 454 D N -0.493 119.918 120.400 0.019 0.000 2.491 454 D HA 0.124 4.765 4.640 0.001 0.000 0.228 454 D C 0.475 176.782 176.300 0.012 0.000 1.183 454 D CA 0.201 54.211 54.000 0.016 0.000 0.827 454 D CB 0.357 41.166 40.800 0.014 0.000 0.989 454 D HN 0.360 nan 8.370 nan 0.000 0.494 455 Q N 0.781 120.587 119.800 0.010 0.000 2.365 455 Q HA 0.403 4.743 4.340 0.001 0.000 0.269 455 Q C -2.639 173.354 176.000 -0.012 0.000 1.061 455 Q CA -2.063 53.737 55.803 -0.004 0.000 0.816 455 Q CB 2.515 31.250 28.738 -0.004 0.000 1.325 455 Q HN -0.128 nan 8.270 nan 0.000 0.446 456 P HA 0.023 nan 4.420 nan 0.000 0.268 456 P C -0.991 176.251 177.300 -0.097 0.000 1.205 456 P CA 0.076 63.133 63.100 -0.072 0.000 0.771 456 P CB 0.558 32.138 31.700 -0.201 0.000 0.858 457 T N 3.902 118.475 114.554 0.031 0.000 2.864 457 T HA 0.482 4.833 4.350 0.001 0.000 0.299 457 T C -0.735 174.162 174.700 0.328 0.000 1.011 457 T CA -0.188 61.965 62.100 0.089 0.000 0.975 457 T CB -0.038 68.879 68.868 0.082 0.000 0.962 457 T HN 0.047 nan 8.240 nan 0.000 0.448 458 F N 2.768 122.753 119.950 0.059 0.000 2.450 458 F HA 0.729 5.257 4.527 0.001 0.000 0.332 458 F C -0.116 175.721 175.800 0.063 0.000 1.093 458 F CA -2.173 55.865 58.000 0.063 0.000 1.003 458 F CB 1.572 40.618 39.000 0.078 0.000 1.151 458 F HN 0.293 nan 8.300 nan 0.000 0.474 459 L N 4.909 126.264 121.223 0.220 0.000 2.362 459 L HA 0.648 4.989 4.340 0.001 0.000 0.275 459 L C -1.292 175.634 176.870 0.094 0.000 0.998 459 L CA -0.540 54.386 54.840 0.142 0.000 0.820 459 L CB 1.529 43.650 42.059 0.103 0.000 1.270 459 L HN 0.580 nan 8.230 nan 0.000 0.415 460 I N 4.699 125.358 120.570 0.148 0.000 2.441 460 I HA 0.883 5.054 4.170 0.001 0.000 0.295 460 I C -0.881 175.314 176.117 0.130 0.000 0.994 460 I CA -0.262 61.094 61.300 0.093 0.000 1.144 460 I CB 1.554 39.669 38.000 0.192 0.000 1.314 460 I HN 0.903 nan 8.210 nan 0.000 0.445 461 A N 4.753 127.437 122.820 -0.226 0.000 2.594 461 A HA 0.769 5.090 4.320 0.001 0.000 0.295 461 A C -0.647 176.437 177.584 -0.833 0.000 1.071 461 A CA -0.311 51.555 52.037 -0.285 0.000 0.685 461 A CB 1.246 20.282 19.000 0.060 0.000 1.285 461 A HN 0.832 nan 8.150 nan 0.000 0.405 462 G N -0.323 107.985 108.800 -0.820 0.000 2.522 462 G HA2 0.455 4.416 3.960 0.001 0.000 0.304 462 G HA3 0.455 4.416 3.960 0.001 0.000 0.304 462 G C 0.437 175.233 174.900 -0.173 0.000 1.210 462 G CA 0.318 45.122 45.100 -0.493 0.000 0.960 462 G HN 0.815 nan 8.290 nan 0.000 0.497 463 D N -0.358 119.982 120.400 -0.101 0.000 2.117 463 D HA -0.097 4.544 4.640 0.001 0.000 0.198 463 D C 2.186 178.563 176.300 0.128 0.000 0.982 463 D CA 1.303 55.271 54.000 -0.054 0.000 0.828 463 D CB -0.764 40.120 40.800 0.140 0.000 0.967 463 D HN 0.477 nan 8.370 nan 0.000 0.464 464 G N 0.901 109.853 108.800 0.254 0.000 2.433 464 G HA2 -0.176 3.785 3.960 0.001 0.000 0.216 464 G HA3 -0.176 3.785 3.960 0.001 0.000 0.216 464 G C 1.765 176.710 174.900 0.074 0.000 1.186 464 G CA 1.232 46.504 45.100 0.287 0.000 0.779 464 G HN 0.480 nan 8.290 nan 0.000 0.543 465 G N 0.043 108.947 108.800 0.173 0.000 2.394 465 G HA2 -0.078 3.883 3.960 0.001 0.000 0.214 465 G HA3 -0.078 3.883 3.960 0.001 0.000 0.214 465 G C 1.633 176.484 174.900 -0.082 0.000 1.176 465 G CA 0.776 45.891 45.100 0.024 0.000 0.786 465 G HN 0.323 nan 8.290 nan 0.000 0.533 466 F N 1.012 120.913 119.950 -0.081 0.000 2.095 466 F HA -0.096 4.432 4.527 0.001 0.000 0.298 466 F C 2.454 178.238 175.800 -0.027 0.000 1.104 466 F CA 1.947 59.886 58.000 -0.101 0.000 1.232 466 F CB -0.241 38.602 39.000 -0.261 0.000 0.987 466 F HN 0.239 nan 8.300 nan 0.000 0.475 467 H N -0.061 118.963 119.070 -0.077 0.000 2.457 467 H HA -0.047 4.510 4.556 0.001 0.000 0.294 467 H C 2.518 177.656 175.328 -0.316 0.000 1.064 467 H CA 1.136 57.121 56.048 -0.106 0.000 1.330 467 H CB -0.562 29.225 29.762 0.041 0.000 1.395 467 H HN 0.366 nan 8.280 nan 0.000 0.541 468 S N -0.769 114.658 115.700 -0.455 0.000 2.440 468 S HA -0.177 4.294 4.470 0.001 0.000 0.240 468 S C 1.480 175.781 174.600 -0.498 0.000 1.014 468 S CA 1.667 59.473 58.200 -0.657 0.000 0.980 468 S CB -0.100 62.271 63.200 -1.381 0.000 0.775 468 S HN 0.436 nan 8.310 nan 0.000 0.499 469 N N -0.133 118.314 118.700 -0.422 0.000 2.390 469 N HA 0.242 4.983 4.740 0.001 0.000 0.259 469 N C 0.863 176.149 175.510 -0.373 0.000 1.395 469 N CA 0.552 53.413 53.050 -0.315 0.000 0.852 469 N CB 0.609 39.021 38.487 -0.125 0.000 1.371 469 N HN 0.383 nan 8.380 nan 0.000 0.491 470 S N -1.839 113.601 115.700 -0.433 0.000 2.423 470 S HA -0.056 4.415 4.470 0.001 0.000 0.231 470 S C 1.777 176.258 174.600 -0.198 0.000 1.014 470 S CA 0.818 58.735 58.200 -0.472 0.000 0.965 470 S CB -0.188 62.926 63.200 -0.143 0.000 0.785 470 S HN 0.150 nan 8.310 nan 0.000 0.495 471 S N 2.105 117.723 115.700 -0.136 0.000 2.419 471 S HA -0.103 4.367 4.470 0.001 0.000 0.235 471 S C 1.252 175.836 174.600 -0.027 0.000 1.019 471 S CA 1.177 59.344 58.200 -0.055 0.000 0.982 471 S CB -0.469 62.705 63.200 -0.044 0.000 0.789 471 S HN 0.551 nan 8.310 nan 0.000 0.490 472 D N 1.023 121.396 120.400 -0.044 0.000 2.371 472 D HA 0.083 4.724 4.640 0.001 0.000 0.234 472 D C 1.480 177.780 176.300 -0.001 0.000 1.049 472 D CA 0.087 54.080 54.000 -0.011 0.000 0.907 472 D CB -0.058 40.736 40.800 -0.010 0.000 0.891 472 D HN 0.352 nan 8.370 nan 0.000 0.531 473 L N 0.752 121.975 121.223 0.001 0.000 2.081 473 L HA -0.189 4.152 4.340 0.001 0.000 0.212 473 L C 2.527 179.427 176.870 0.049 0.000 1.080 473 L CA 1.165 56.038 54.840 0.057 0.000 0.754 473 L CB -0.165 41.953 42.059 0.099 0.000 0.893 473 L HN 0.012 nan 8.230 nan 0.000 0.433 474 E N -0.408 119.815 120.200 0.037 0.000 2.150 474 E HA -0.179 4.172 4.350 0.001 0.000 0.193 474 E C 1.918 178.540 176.600 0.037 0.000 0.985 474 E CA 1.675 58.097 56.400 0.037 0.000 0.814 474 E CB 0.101 29.820 29.700 0.032 0.000 0.752 474 E HN 0.456 nan 8.360 nan 0.000 0.466 475 T N 1.321 115.896 114.554 0.036 0.000 2.821 475 T HA -0.044 4.307 4.350 0.001 0.000 0.267 475 T C 2.037 176.760 174.700 0.038 0.000 1.046 475 T CA 0.871 62.993 62.100 0.037 0.000 1.139 475 T CB -0.094 68.797 68.868 0.038 0.000 0.871 475 T HN 0.170 nan 8.240 nan 0.000 0.454 476 I N 1.315 121.909 120.570 0.041 0.000 2.208 476 I HA -0.208 3.963 4.170 0.001 0.000 0.245 476 I C 2.876 179.021 176.117 0.048 0.000 1.097 476 I CA 1.191 62.520 61.300 0.048 0.000 1.363 476 I CB -0.396 37.640 38.000 0.060 0.000 1.051 476 I HN 0.215 nan 8.210 nan 0.000 0.413 477 A N 0.428 123.276 122.820 0.047 0.000 1.897 477 A HA -0.210 4.111 4.320 0.001 0.000 0.215 477 A C 2.386 179.992 177.584 0.037 0.000 1.181 477 A CA 1.431 53.494 52.037 0.045 0.000 0.620 477 A CB -0.557 18.469 19.000 0.043 0.000 0.821 477 A HN 0.284 nan 8.150 nan 0.000 0.443 478 R N -0.522 119.997 120.500 0.033 0.000 2.105 478 R HA -0.032 4.309 4.340 0.001 0.000 0.239 478 R C 1.510 177.824 176.300 0.023 0.000 1.135 478 R CA 1.500 57.616 56.100 0.027 0.000 0.967 478 R CB -0.298 30.018 30.300 0.026 0.000 0.861 478 R HN 0.531 nan 8.270 nan 0.000 0.442 479 L N -0.158 121.080 121.223 0.025 0.000 2.567 479 L HA 0.109 4.449 4.340 0.001 0.000 0.225 479 L C 0.342 177.227 176.870 0.025 0.000 1.119 479 L CA -0.177 54.675 54.840 0.020 0.000 0.871 479 L CB -0.132 41.941 42.059 0.022 0.000 1.036 479 L HN 0.254 nan 8.230 nan 0.000 0.459 480 N N 1.299 120.018 118.700 0.032 0.000 2.714 480 N HA -0.205 4.536 4.740 0.001 0.000 0.253 480 N C -0.694 174.840 175.510 0.040 0.000 1.024 480 N CA 0.456 53.528 53.050 0.037 0.000 0.726 480 N CB -1.161 37.343 38.487 0.030 0.000 0.908 480 N HN 0.254 nan 8.380 nan 0.000 0.542 481 L N 0.859 122.110 121.223 0.046 0.000 2.260 481 L HA 0.364 4.705 4.340 0.001 0.000 0.289 481 L C -1.346 175.563 176.870 0.065 0.000 1.057 481 L CA -1.672 53.198 54.840 0.051 0.000 0.811 481 L CB 1.055 43.144 42.059 0.049 0.000 1.184 481 L HN 0.084 nan 8.230 nan 0.000 0.429 482 P HA 0.110 nan 4.420 nan 0.000 0.228 482 P C -0.006 177.364 177.300 0.116 0.000 1.748 482 P CA 0.042 63.194 63.100 0.086 0.000 0.909 482 P CB -0.305 31.439 31.700 0.073 0.000 1.882 483 I N 0.286 120.925 120.570 0.115 0.000 2.496 483 I HA 0.051 4.222 4.170 0.001 0.000 0.285 483 I C 0.628 176.832 176.117 0.145 0.000 1.080 483 I CA -0.433 60.949 61.300 0.138 0.000 1.404 483 I CB 1.172 39.235 38.000 0.105 0.000 1.403 483 I HN -0.152 nan 8.210 nan 0.000 0.539 484 V N 5.947 125.963 119.914 0.171 0.000 2.333 484 V HA 0.231 4.352 4.120 0.001 0.000 0.274 484 V C 0.259 176.343 176.094 -0.018 0.000 1.028 484 V CA -0.395 61.941 62.300 0.060 0.000 0.851 484 V CB 0.970 32.713 31.823 -0.134 0.000 1.000 484 V HN 0.732 nan 8.190 nan 0.000 0.456 485 T N 4.758 119.278 114.554 -0.057 0.000 2.875 485 T HA 0.586 4.937 4.350 0.001 0.000 0.284 485 T C -0.243 174.313 174.700 -0.240 0.000 0.995 485 T CA -0.340 61.684 62.100 -0.128 0.000 1.060 485 T CB 1.714 70.498 68.868 -0.140 0.000 0.967 485 T HN 0.345 nan 8.240 nan 0.000 0.476 486 V N 3.620 123.381 119.914 -0.255 0.000 2.444 486 V HA 0.413 4.534 4.120 0.001 0.000 0.294 486 V C -0.287 175.556 176.094 -0.417 0.000 1.022 486 V CA -0.794 61.327 62.300 -0.299 0.000 0.850 486 V CB 1.804 33.502 31.823 -0.209 0.000 0.992 486 V HN 0.688 nan 8.190 nan 0.000 0.426 487 V N 5.794 125.385 119.914 -0.539 0.000 2.370 487 V HA 0.365 4.486 4.120 0.001 0.000 0.283 487 V C 0.016 175.804 176.094 -0.510 0.000 1.023 487 V CA -0.631 61.250 62.300 -0.697 0.000 0.857 487 V CB 1.896 33.069 31.823 -1.084 0.000 0.985 487 V HN 0.739 nan 8.190 nan 0.000 0.443 488 V N 2.386 122.008 119.914 -0.486 0.000 2.348 488 V HA 0.587 4.707 4.120 0.001 0.000 0.270 488 V C -0.095 175.824 176.094 -0.292 0.000 1.037 488 V CA -0.467 61.618 62.300 -0.359 0.000 0.872 488 V CB 1.073 32.699 31.823 -0.330 0.000 1.002 488 V HN 0.744 nan 8.190 nan 0.000 0.464 489 N N 4.805 123.380 118.700 -0.209 0.000 2.400 489 N HA 0.447 5.188 4.740 0.001 0.000 0.288 489 N C 0.091 175.570 175.510 -0.052 0.000 1.024 489 N CA -0.389 52.608 53.050 -0.088 0.000 0.894 489 N CB 1.742 40.228 38.487 -0.003 0.000 1.173 489 N HN 0.925 nan 8.380 nan 0.000 0.487 490 N N 1.940 120.658 118.700 0.031 0.000 2.217 490 N HA 0.052 4.793 4.740 0.001 0.000 0.239 490 N C -1.100 174.483 175.510 0.123 0.000 1.330 490 N CA -0.179 52.885 53.050 0.022 0.000 0.838 490 N CB 0.097 38.548 38.487 -0.061 0.000 1.287 490 N HN 0.370 nan 8.380 nan 0.000 0.498 491 D N 0.145 120.667 120.400 0.202 0.000 2.811 491 D HA -0.133 4.507 4.640 0.001 0.000 0.231 491 D C -0.944 175.554 176.300 0.330 0.000 1.157 491 D CA 1.421 55.598 54.000 0.295 0.000 0.716 491 D CB -1.699 39.205 40.800 0.173 0.000 1.077 491 D HN 0.512 nan 8.370 nan 0.000 0.428 492 T N -0.052 114.722 114.554 0.366 0.000 2.982 492 T HA 0.228 4.579 4.350 0.001 0.000 0.321 492 T C -0.166 174.724 174.700 0.318 0.000 1.229 492 T CA -0.872 61.329 62.100 0.168 0.000 1.044 492 T CB 1.413 70.380 68.868 0.165 0.000 1.184 492 T HN -0.166 nan 8.240 nan 0.000 0.477 493 N N 1.957 120.748 118.700 0.153 0.000 2.498 493 N HA 0.180 4.921 4.740 0.001 0.000 0.277 493 N C 1.408 177.046 175.510 0.214 0.000 1.208 493 N CA 0.026 53.238 53.050 0.270 0.000 1.029 493 N CB 0.852 39.465 38.487 0.210 0.000 1.403 493 N HN 0.893 nan 8.380 nan 0.000 0.500 494 G N 1.899 110.884 108.800 0.308 0.000 2.404 494 G HA2 -0.183 3.778 3.960 0.001 0.000 0.215 494 G HA3 -0.183 3.778 3.960 0.001 0.000 0.215 494 G C 1.459 176.413 174.900 0.089 0.000 1.174 494 G CA 0.033 45.322 45.100 0.315 0.000 0.780 494 G HN 0.501 nan 8.290 nan 0.000 0.537 495 L N 0.422 121.699 121.223 0.090 0.000 2.051 495 L HA -0.146 4.195 4.340 0.001 0.000 0.214 495 L C 2.662 179.530 176.870 -0.003 0.000 1.076 495 L CA 1.350 56.183 54.840 -0.012 0.000 0.758 495 L CB -0.231 41.928 42.059 0.168 0.000 0.890 495 L HN 0.142 nan 8.230 nan 0.000 0.433 496 I N -0.342 120.279 120.570 0.084 0.000 2.439 496 I HA -0.236 3.935 4.170 0.001 0.000 0.251 496 I C 2.409 178.537 176.117 0.019 0.000 1.139 496 I CA 1.107 62.464 61.300 0.095 0.000 1.438 496 I CB -1.324 36.721 38.000 0.075 0.000 1.085 496 I HN 0.396 nan 8.210 nan 0.000 0.427 497 E N 1.395 121.589 120.200 -0.011 0.000 2.110 497 E HA -0.206 4.145 4.350 0.001 0.000 0.193 497 E C 2.406 178.863 176.600 -0.238 0.000 0.988 497 E CA 0.814 57.207 56.400 -0.010 0.000 0.804 497 E CB 0.009 29.804 29.700 0.159 0.000 0.745 497 E HN 0.401 nan 8.360 nan 0.000 0.458 498 L N 0.086 120.914 121.223 -0.659 0.000 2.012 498 L HA -0.226 4.115 4.340 0.001 0.000 0.210 498 L C 2.087 178.566 176.870 -0.651 0.000 1.073 498 L CA 1.735 55.879 54.840 -1.160 0.000 0.748 498 L CB -0.423 40.696 42.059 -1.568 0.000 0.891 498 L HN 0.308 nan 8.230 nan 0.000 0.431 499 Y N 0.528 120.622 120.300 -0.342 0.000 2.224 499 Y HA -0.281 4.270 4.550 0.001 0.000 0.289 499 Y C 2.850 178.696 175.900 -0.090 0.000 1.146 499 Y CA 1.525 59.510 58.100 -0.191 0.000 1.182 499 Y CB -0.469 37.916 38.460 -0.124 0.000 0.983 499 Y HN 0.314 nan 8.280 nan 0.000 0.524 500 Q N -0.045 119.802 119.800 0.079 0.000 2.045 500 Q HA -0.247 4.094 4.340 0.001 0.000 0.206 500 Q C 1.956 178.035 176.000 0.130 0.000 0.991 500 Q CA 1.681 57.560 55.803 0.127 0.000 0.851 500 Q CB -0.352 28.420 28.738 0.057 0.000 0.911 500 Q HN 0.569 nan 8.270 nan 0.000 0.418 501 N N 0.374 119.087 118.700 0.022 0.000 2.244 501 N HA -0.103 4.637 4.740 0.001 0.000 0.183 501 N C 1.879 177.428 175.510 0.064 0.000 1.016 501 N CA 0.949 54.039 53.050 0.067 0.000 0.866 501 N CB -0.064 38.452 38.487 0.048 0.000 0.980 501 N HN 0.263 nan 8.380 nan 0.000 0.430 502 I N 0.709 121.247 120.570 -0.053 0.000 2.252 502 I HA -0.150 4.021 4.170 0.001 0.000 0.245 502 I C 2.484 178.529 176.117 -0.120 0.000 1.102 502 I CA 1.220 62.486 61.300 -0.056 0.000 1.385 502 I CB -0.391 37.525 38.000 -0.140 0.000 1.064 502 I HN 0.124 nan 8.210 nan 0.000 0.414 503 G N -0.867 107.861 108.800 -0.121 0.000 2.426 503 G HA2 -0.152 3.808 3.960 0.001 0.000 0.214 503 G HA3 -0.152 3.808 3.960 0.001 0.000 0.214 503 G C 1.090 175.641 174.900 -0.582 0.000 1.156 503 G CA 0.530 45.429 45.100 -0.335 0.000 0.802 503 G HN 0.453 nan 8.290 nan 0.000 0.534 504 H N -2.131 116.836 119.070 -0.172 0.000 3.360 504 H HA 0.238 4.795 4.556 0.001 0.000 0.262 504 H C 0.581 175.868 175.328 -0.070 0.000 1.149 504 H CA -0.304 55.662 56.048 -0.136 0.000 1.181 504 H CB 0.495 30.228 29.762 -0.048 0.000 1.564 504 H HN 0.253 nan 8.280 nan 0.000 0.565 505 H N 0.221 119.353 119.070 0.102 0.000 2.921 505 H HA -0.180 4.376 4.556 0.001 0.000 0.281 505 H C 0.190 175.572 175.328 0.090 0.000 1.165 505 H CA 1.292 57.387 56.048 0.078 0.000 1.151 505 H CB -1.305 28.491 29.762 0.057 0.000 1.311 505 H HN 0.642 nan 8.280 nan 0.000 0.361 506 R N -2.009 118.615 120.500 0.206 0.000 2.733 506 R HA 0.687 5.028 4.340 0.001 0.000 0.272 506 R C -1.027 175.343 176.300 0.117 0.000 1.029 506 R CA -0.745 55.443 56.100 0.147 0.000 0.888 506 R CB 1.146 31.520 30.300 0.124 0.000 1.251 506 R HN -0.035 nan 8.270 nan 0.000 0.464 507 S N -0.264 115.496 115.700 0.100 0.000 2.646 507 S HA 0.313 4.783 4.470 0.001 0.000 0.276 507 S C -1.052 173.607 174.600 0.099 0.000 1.222 507 S CA -0.456 57.796 58.200 0.087 0.000 1.014 507 S CB 0.655 63.902 63.200 0.079 0.000 0.991 507 S HN 0.610 nan 8.310 nan 0.000 0.533 508 H N 0.458 119.508 119.070 -0.032 0.000 3.078 508 H HA 0.337 4.894 4.556 0.001 0.000 0.319 508 H C -0.333 174.971 175.328 -0.040 0.000 0.995 508 H CA -0.524 55.497 56.048 -0.045 0.000 1.417 508 H CB 0.513 30.227 29.762 -0.081 0.000 1.598 508 H HN 0.448 nan 8.280 nan 0.000 0.515 509 D N 4.882 125.127 120.400 -0.259 0.000 2.178 509 D HA -0.080 4.561 4.640 0.001 0.000 0.202 509 D C -0.831 175.361 176.300 -0.180 0.000 0.974 509 D CA 0.519 54.412 54.000 -0.179 0.000 0.841 509 D CB -0.781 39.927 40.800 -0.153 0.000 0.953 509 D HN 0.548 nan 8.370 nan 0.000 0.478 510 P HA -0.068 nan 4.420 nan 0.000 0.219 510 P C 0.828 178.127 177.300 -0.001 0.000 1.146 510 P CA 1.357 64.398 63.100 -0.099 0.000 0.808 510 P CB 0.051 31.712 31.700 -0.065 0.000 0.779 511 A N -1.250 121.606 122.820 0.061 0.000 2.238 511 A HA 0.136 4.457 4.320 0.001 0.000 0.210 511 A C 1.667 179.231 177.584 -0.034 0.000 1.179 511 A CA 1.051 53.115 52.037 0.045 0.000 0.827 511 A CB -0.475 18.578 19.000 0.087 0.000 0.856 511 A HN 0.197 nan 8.150 nan 0.000 0.488 512 V N -5.850 114.003 119.914 -0.103 0.000 3.359 512 V HA 0.349 4.470 4.120 0.001 0.000 0.270 512 V C -0.064 175.767 176.094 -0.439 0.000 1.583 512 V CA -0.353 61.829 62.300 -0.197 0.000 1.019 512 V CB -0.099 31.682 31.823 -0.071 0.000 0.831 512 V HN 0.052 nan 8.190 nan 0.000 0.426 513 K N 1.628 121.813 120.400 -0.358 0.000 2.156 513 K HA 0.640 4.960 4.320 0.001 0.000 0.271 513 K C -1.212 175.155 176.600 -0.388 0.000 0.995 513 K CA -0.236 55.854 56.287 -0.329 0.000 0.890 513 K CB 1.640 34.063 32.500 -0.128 0.000 1.073 513 K HN 0.314 nan 8.250 nan 0.000 0.454 514 F N -0.553 119.443 119.950 0.077 0.000 2.541 514 F HA 0.487 5.015 4.527 0.002 0.000 0.331 514 F C 1.360 177.186 175.800 0.044 0.000 1.057 514 F CA -0.840 57.202 58.000 0.070 0.000 0.975 514 F CB 0.792 39.852 39.000 0.101 0.000 1.246 514 F HN 0.541 nan 8.300 nan 0.000 0.484 515 G N -0.533 108.414 108.800 0.245 0.000 2.543 515 G HA2 0.462 4.423 3.960 0.001 0.000 0.290 515 G HA3 0.462 4.423 3.960 0.001 0.000 0.290 515 G C -0.111 174.847 174.900 0.097 0.000 1.310 515 G CA -0.604 44.571 45.100 0.126 0.000 1.025 515 G HN 0.902 nan 8.290 nan 0.000 0.502 516 G N -1.622 107.195 108.800 0.028 0.000 2.365 516 G HA2 0.428 4.389 3.960 0.001 0.000 0.249 516 G HA3 0.428 4.389 3.960 0.001 0.000 0.249 516 G C -0.618 174.208 174.900 -0.124 0.000 1.288 516 G CA -0.023 45.060 45.100 -0.029 0.000 0.887 516 G HN 0.590 nan 8.290 nan 0.000 0.524 517 V N 3.020 122.784 119.914 -0.249 0.000 2.531 517 V HA 0.218 4.339 4.120 0.001 0.000 0.301 517 V C -0.690 175.047 176.094 -0.595 0.000 1.034 517 V CA -0.891 61.081 62.300 -0.548 0.000 0.865 517 V CB 1.991 33.203 31.823 -1.019 0.000 0.995 517 V HN 0.785 nan 8.190 nan 0.000 0.424 518 D N 3.356 123.479 120.400 -0.462 0.000 2.441 518 D HA 0.282 4.923 4.640 0.001 0.000 0.221 518 D C 0.516 176.610 176.300 -0.343 0.000 1.156 518 D CA -0.194 53.626 54.000 -0.300 0.000 0.896 518 D CB 0.555 41.249 40.800 -0.176 0.000 1.028 518 D HN 0.356 nan 8.370 nan 0.000 0.509 519 F N 2.052 121.908 119.950 -0.156 0.000 2.407 519 F HA -0.091 4.437 4.527 0.001 0.000 0.299 519 F C 2.344 178.055 175.800 -0.147 0.000 1.097 519 F CA 0.148 58.053 58.000 -0.159 0.000 1.422 519 F CB -0.120 38.751 39.000 -0.216 0.000 1.067 519 F HN 0.274 nan 8.300 nan 0.000 0.539 520 V N 0.049 119.962 119.914 -0.003 0.000 2.295 520 V HA -0.322 3.799 4.120 0.001 0.000 0.246 520 V C 2.578 178.636 176.094 -0.060 0.000 1.049 520 V CA 1.981 64.240 62.300 -0.069 0.000 1.024 520 V CB -1.291 30.482 31.823 -0.083 0.000 0.648 520 V HN 0.353 nan 8.190 nan 0.000 0.447 521 A N -0.589 122.192 122.820 -0.065 0.000 1.929 521 A HA -0.132 4.189 4.320 0.001 0.000 0.216 521 A C 2.155 179.712 177.584 -0.045 0.000 1.176 521 A CA 1.734 53.737 52.037 -0.058 0.000 0.628 521 A CB -0.533 18.425 19.000 -0.070 0.000 0.816 521 A HN 0.436 nan 8.150 nan 0.000 0.444 522 L N -0.127 121.062 121.223 -0.057 0.000 2.012 522 L HA -0.169 4.172 4.340 0.001 0.000 0.210 522 L C 2.791 179.686 176.870 0.040 0.000 1.073 522 L CA 2.186 57.017 54.840 -0.015 0.000 0.748 522 L CB -0.533 41.510 42.059 -0.027 0.000 0.891 522 L HN 0.366 nan 8.230 nan 0.000 0.431 523 A N -1.115 121.736 122.820 0.052 0.000 1.877 523 A HA -0.268 4.053 4.320 0.001 0.000 0.216 523 A C 2.239 179.832 177.584 0.015 0.000 1.186 523 A CA 1.950 54.015 52.037 0.047 0.000 0.620 523 A CB -0.693 18.302 19.000 -0.008 0.000 0.822 523 A HN 0.552 nan 8.150 nan 0.000 0.443 524 E N -0.558 119.637 120.200 -0.008 0.000 2.204 524 E HA 0.002 4.353 4.350 0.001 0.000 0.194 524 E C 2.083 178.686 176.600 0.005 0.000 0.989 524 E CA 0.785 57.182 56.400 -0.005 0.000 0.824 524 E CB -0.209 29.483 29.700 -0.015 0.000 0.756 524 E HN 0.607 nan 8.360 nan 0.000 0.477 525 A N 0.838 123.661 122.820 0.005 0.000 2.015 525 A HA -0.124 4.197 4.320 0.001 0.000 0.219 525 A C 1.665 179.260 177.584 0.018 0.000 1.163 525 A CA 1.039 53.081 52.037 0.008 0.000 0.646 525 A CB -0.146 18.856 19.000 0.003 0.000 0.806 525 A HN 0.165 nan 8.150 nan 0.000 0.448 526 N N -1.052 117.664 118.700 0.027 0.000 2.280 526 N HA 0.146 4.887 4.740 0.001 0.000 0.192 526 N C 0.963 176.493 175.510 0.033 0.000 1.109 526 N CA 0.881 53.952 53.050 0.034 0.000 0.855 526 N CB 0.608 39.123 38.487 0.047 0.000 0.974 526 N HN 0.603 nan 8.380 nan 0.000 0.482 527 G N 0.313 109.130 108.800 0.029 0.000 2.144 527 G HA2 -0.227 3.734 3.960 0.001 0.000 0.218 527 G HA3 -0.227 3.734 3.960 0.001 0.000 0.218 527 G C -0.221 174.703 174.900 0.039 0.000 0.988 527 G CA -0.180 44.939 45.100 0.032 0.000 0.659 527 G HN 0.146 nan 8.290 nan 0.000 0.522 528 V N 1.683 121.618 119.914 0.037 0.000 2.384 528 V HA 0.440 4.561 4.120 0.001 0.000 0.287 528 V C -0.134 175.970 176.094 0.016 0.000 1.020 528 V CA -1.235 61.089 62.300 0.040 0.000 0.850 528 V CB 1.664 33.510 31.823 0.038 0.000 0.987 528 V HN 0.235 nan 8.190 nan 0.000 0.436 529 D N 3.500 123.938 120.400 0.064 0.000 2.399 529 D HA 0.601 5.242 4.640 0.001 0.000 0.241 529 D C 0.198 176.388 176.300 -0.183 0.000 1.133 529 D CA 0.532 54.573 54.000 0.068 0.000 0.890 529 D CB 1.724 42.681 40.800 0.262 0.000 1.201 529 D HN 0.833 nan 8.370 nan 0.000 0.432 530 A N 0.840 123.488 122.820 -0.288 0.000 2.602 530 A HA 0.735 5.056 4.320 0.001 0.000 0.290 530 A C -0.550 176.809 177.584 -0.374 0.000 1.114 530 A CA -0.565 51.105 52.037 -0.612 0.000 0.683 530 A CB 2.287 21.073 19.000 -0.357 0.000 1.281 530 A HN 0.442 nan 8.150 nan 0.000 0.416 531 T N -0.805 113.517 114.554 -0.387 0.000 2.769 531 T HA 0.601 4.952 4.350 0.001 0.000 0.306 531 T C -1.388 173.229 174.700 -0.137 0.000 1.400 531 T CA -0.539 61.474 62.100 -0.144 0.000 1.007 531 T CB 1.420 70.302 68.868 0.025 0.000 1.392 531 T HN 0.882 nan 8.240 nan 0.000 0.500 532 R N 1.122 121.577 120.500 -0.075 0.000 2.393 532 R HA 0.801 5.142 4.340 0.001 0.000 0.310 532 R C -1.204 175.064 176.300 -0.053 0.000 0.968 532 R CA -0.496 55.561 56.100 -0.072 0.000 0.867 532 R CB 1.147 31.414 30.300 -0.055 0.000 1.124 532 R HN 0.707 nan 8.270 nan 0.000 0.450 533 A N 2.158 124.939 122.820 -0.064 0.000 2.374 533 A HA 0.402 4.723 4.320 0.001 0.000 0.305 533 A C 0.119 177.667 177.584 -0.060 0.000 1.053 533 A CA -0.605 51.401 52.037 -0.051 0.000 0.726 533 A CB 1.715 20.686 19.000 -0.048 0.000 1.229 533 A HN 0.866 nan 8.150 nan 0.000 0.431 534 T N -1.799 112.727 114.554 -0.047 0.000 3.043 534 T HA 0.288 4.639 4.350 0.001 0.000 0.272 534 T C 0.169 174.847 174.700 -0.037 0.000 0.990 534 T CA 0.383 62.455 62.100 -0.046 0.000 0.897 534 T CB -0.582 68.264 68.868 -0.037 0.000 1.111 534 T HN 0.910 nan 8.240 nan 0.000 0.529 535 N N -0.136 118.544 118.700 -0.033 0.000 2.853 535 N HA 0.428 5.168 4.740 0.001 0.000 0.258 535 N C 0.380 175.875 175.510 -0.026 0.000 1.444 535 N CA -1.172 51.864 53.050 -0.024 0.000 0.837 535 N CB 0.969 39.446 38.487 -0.017 0.000 1.489 535 N HN -0.185 nan 8.380 nan 0.000 0.529 536 R N -0.267 120.221 120.500 -0.019 0.000 2.117 536 R HA -0.142 4.199 4.340 0.001 0.000 0.243 536 R C 1.352 177.645 176.300 -0.013 0.000 1.143 536 R CA 1.720 57.810 56.100 -0.017 0.000 0.968 536 R CB -0.200 30.094 30.300 -0.010 0.000 0.863 536 R HN 0.739 nan 8.270 nan 0.000 0.444 537 E N 0.952 121.145 120.200 -0.012 0.000 2.047 537 E HA -0.207 4.144 4.350 0.001 0.000 0.191 537 E C 1.641 178.235 176.600 -0.009 0.000 0.987 537 E CA 1.267 57.662 56.400 -0.009 0.000 0.799 537 E CB 0.165 29.859 29.700 -0.010 0.000 0.752 537 E HN 0.395 nan 8.360 nan 0.000 0.449 538 E N 0.242 120.435 120.200 -0.012 0.000 2.107 538 E HA -0.172 4.179 4.350 0.001 0.000 0.191 538 E C 2.098 178.693 176.600 -0.009 0.000 0.982 538 E CA 0.500 56.894 56.400 -0.009 0.000 0.809 538 E CB -0.015 29.677 29.700 -0.013 0.000 0.756 538 E HN 0.157 nan 8.360 nan 0.000 0.459 539 L N 0.998 122.209 121.223 -0.020 0.000 2.027 539 L HA -0.143 4.198 4.340 0.001 0.000 0.206 539 L C 1.976 178.834 176.870 -0.019 0.000 1.074 539 L CA 1.545 56.368 54.840 -0.027 0.000 0.745 539 L CB -0.415 41.619 42.059 -0.041 0.000 0.898 539 L HN 0.116 nan 8.230 nan 0.000 0.433 540 L N -0.605 120.611 121.223 -0.010 0.000 2.046 540 L HA -0.202 4.139 4.340 0.001 0.000 0.208 540 L C 2.652 179.519 176.870 -0.004 0.000 1.077 540 L CA 1.249 56.088 54.840 -0.001 0.000 0.747 540 L CB -0.919 41.144 42.059 0.006 0.000 0.896 540 L HN 0.390 nan 8.230 nan 0.000 0.432 541 A N -0.077 122.740 122.820 -0.005 0.000 1.877 541 A HA -0.154 4.167 4.320 0.001 0.000 0.216 541 A C 2.535 180.111 177.584 -0.013 0.000 1.186 541 A CA 1.694 53.726 52.037 -0.009 0.000 0.620 541 A CB -0.726 18.271 19.000 -0.005 0.000 0.822 541 A HN 0.395 nan 8.150 nan 0.000 0.443 542 A N -0.289 122.542 122.820 0.020 0.000 1.902 542 A HA -0.043 4.278 4.320 0.001 0.000 0.217 542 A C 2.187 179.798 177.584 0.046 0.000 1.181 542 A CA 1.522 53.615 52.037 0.095 0.000 0.623 542 A CB -0.638 18.447 19.000 0.141 0.000 0.818 542 A HN 0.464 nan 8.150 nan 0.000 0.443 543 L N -1.098 120.111 121.223 -0.023 0.000 2.017 543 L HA -0.205 4.135 4.340 0.001 0.000 0.208 543 L C 2.884 179.709 176.870 -0.075 0.000 1.073 543 L CA 1.647 56.423 54.840 -0.108 0.000 0.745 543 L CB -0.447 41.539 42.059 -0.123 0.000 0.894 543 L HN 0.338 nan 8.230 nan 0.000 0.432 544 R N -0.166 120.312 120.500 -0.036 0.000 2.096 544 R HA -0.197 4.144 4.340 0.001 0.000 0.235 544 R C 2.339 178.589 176.300 -0.084 0.000 1.127 544 R CA 1.403 57.489 56.100 -0.023 0.000 0.968 544 R CB -0.232 30.060 30.300 -0.012 0.000 0.861 544 R HN 0.301 nan 8.270 nan 0.000 0.440 545 K N 0.170 120.475 120.400 -0.159 0.000 2.001 545 K HA -0.106 4.215 4.320 0.001 0.000 0.208 545 K C 2.109 178.453 176.600 -0.426 0.000 1.048 545 K CA 1.624 57.741 56.287 -0.282 0.000 0.932 545 K CB -0.322 31.972 32.500 -0.343 0.000 0.715 545 K HN 0.216 nan 8.250 nan 0.000 0.437 546 G N 0.594 109.065 108.800 -0.549 0.000 2.446 546 G HA2 -0.296 3.664 3.960 0.001 0.000 0.217 546 G HA3 -0.296 3.664 3.960 0.001 0.000 0.217 546 G C 1.602 176.431 174.900 -0.117 0.000 1.168 546 G CA 1.080 45.923 45.100 -0.428 0.000 0.771 546 G HN 0.468 nan 8.290 nan 0.000 0.551 547 A N 0.383 123.190 122.820 -0.022 0.000 1.972 547 A HA 0.004 4.325 4.320 0.001 0.000 0.219 547 A C 2.111 179.720 177.584 0.042 0.000 1.169 547 A CA 1.914 54.020 52.037 0.115 0.000 0.635 547 A CB -0.259 18.866 19.000 0.209 0.000 0.810 547 A HN 0.464 nan 8.150 nan 0.000 0.446 548 E N -1.317 118.866 120.200 -0.028 0.000 2.474 548 E HA 0.092 4.443 4.350 0.001 0.000 0.194 548 E C 1.513 178.083 176.600 -0.050 0.000 1.041 548 E CA -0.171 56.210 56.400 -0.032 0.000 0.874 548 E CB 0.086 29.759 29.700 -0.045 0.000 0.914 548 E HN 0.452 nan 8.360 nan 0.000 0.498 549 L N 0.072 121.246 121.223 -0.083 0.000 2.141 549 L HA 0.045 4.386 4.340 0.001 0.000 0.209 549 L C 1.393 178.246 176.870 -0.027 0.000 1.094 549 L CA 1.814 56.602 54.840 -0.088 0.000 0.763 549 L CB -0.330 41.640 42.059 -0.149 0.000 0.908 549 L HN 0.238 nan 8.230 nan 0.000 0.437 550 G N -0.008 108.791 108.800 -0.001 0.000 2.198 550 G HA2 -0.306 3.655 3.960 0.001 0.000 0.260 550 G HA3 -0.306 3.655 3.960 0.001 0.000 0.260 550 G C 0.461 175.378 174.900 0.028 0.000 1.025 550 G CA 0.599 45.709 45.100 0.017 0.000 0.769 550 G HN 0.454 nan 8.290 nan 0.000 0.507 551 R N -0.779 119.745 120.500 0.041 0.000 2.692 551 R HA 0.392 4.733 4.340 0.001 0.000 0.269 551 R C -2.777 173.582 176.300 0.098 0.000 1.030 551 R CA -1.749 54.388 56.100 0.062 0.000 0.882 551 R CB 2.202 32.539 30.300 0.061 0.000 1.250 551 R HN 0.037 nan 8.270 nan 0.000 0.465 552 P HA 0.106 nan 4.420 nan 0.000 0.268 552 P C -1.067 176.368 177.300 0.225 0.000 1.208 552 P CA 0.275 63.456 63.100 0.136 0.000 0.777 552 P CB 0.482 32.242 31.700 0.100 0.000 0.875 553 F N 1.594 121.543 119.950 -0.002 0.000 2.641 553 F HA 0.596 5.124 4.527 0.002 0.000 0.308 553 F C -1.741 174.026 175.800 -0.054 0.000 1.105 553 F CA -1.056 56.928 58.000 -0.028 0.000 0.964 553 F CB 1.587 40.562 39.000 -0.041 0.000 1.294 553 F HN 0.173 nan 8.300 nan 0.000 0.442 554 L N 5.837 126.686 121.223 -0.624 0.000 2.386 554 L HA 0.758 5.099 4.340 0.001 0.000 0.271 554 L C -1.685 174.808 176.870 -0.628 0.000 0.993 554 L CA -0.451 54.103 54.840 -0.476 0.000 0.819 554 L CB 1.816 43.688 42.059 -0.313 0.000 1.294 554 L HN 0.578 nan 8.230 nan 0.000 0.414 555 I N 3.742 124.061 120.570 -0.418 0.000 2.447 555 I HA 0.373 4.544 4.170 0.001 0.000 0.287 555 I C -0.631 175.313 176.117 -0.288 0.000 1.023 555 I CA -0.429 60.677 61.300 -0.323 0.000 1.083 555 I CB 1.974 39.853 38.000 -0.202 0.000 1.245 555 I HN 0.581 nan 8.210 nan 0.000 0.434 556 E N 6.085 126.148 120.200 -0.230 0.000 2.197 556 E HA 0.558 4.909 4.350 0.001 0.000 0.281 556 E C -1.564 174.940 176.600 -0.160 0.000 0.995 556 E CA -0.555 55.725 56.400 -0.201 0.000 0.808 556 E CB 1.620 31.262 29.700 -0.097 0.000 1.093 556 E HN 0.374 nan 8.360 nan 0.000 0.394 557 V N 7.415 127.221 119.914 -0.181 0.000 2.443 557 V HA 0.361 4.482 4.120 0.001 0.000 0.293 557 V C -2.253 173.750 176.094 -0.153 0.000 1.021 557 V CA -1.776 60.433 62.300 -0.153 0.000 0.848 557 V CB 1.596 33.320 31.823 -0.164 0.000 0.998 557 V HN 0.719 nan 8.190 nan 0.000 0.424 558 P HA 0.353 nan 4.420 nan 0.000 0.275 558 P C -0.769 176.430 177.300 -0.167 0.000 1.227 558 P CA 0.080 63.108 63.100 -0.120 0.000 0.781 558 P CB 1.745 33.395 31.700 -0.083 0.000 0.906 559 V N 0.334 120.117 119.914 -0.219 0.000 3.159 559 V HA 0.691 4.812 4.120 0.001 0.000 0.308 559 V C -0.864 174.996 176.094 -0.390 0.000 1.190 559 V CA -0.956 61.149 62.300 -0.326 0.000 1.037 559 V CB 2.107 33.678 31.823 -0.420 0.000 1.060 559 V HN 0.486 nan 8.190 nan 0.000 0.437 560 N N -0.385 118.031 118.700 -0.472 0.000 2.647 560 N HA 0.719 5.460 4.740 0.001 0.000 0.266 560 N C -1.012 174.174 175.510 -0.540 0.000 1.373 560 N CA -0.542 52.219 53.050 -0.483 0.000 0.807 560 N CB 2.203 40.536 38.487 -0.257 0.000 1.513 560 N HN 0.734 nan 8.380 nan 0.000 0.505 561 Y N 0.131 120.355 120.300 -0.126 0.000 2.583 561 Y HA 0.276 4.826 4.550 0.001 0.000 0.270 561 Y C 0.156 175.990 175.900 -0.110 0.000 1.113 561 Y CA 0.138 58.209 58.100 -0.047 0.000 1.307 561 Y CB 0.021 38.475 38.460 -0.010 0.000 1.369 561 Y HN 0.598 nan 8.280 nan 0.000 0.506 562 D N 0.214 120.478 120.400 -0.227 0.000 2.718 562 D HA -0.175 4.466 4.640 0.001 0.000 0.242 562 D C -1.133 175.189 176.300 0.036 0.000 1.123 562 D CA 0.148 54.055 54.000 -0.155 0.000 0.690 562 D CB -1.387 39.410 40.800 -0.005 0.000 1.059 562 D HN 0.091 nan 8.370 nan 0.000 0.429 563 F N -1.457 118.652 119.950 0.265 0.000 2.410 563 F HA 0.572 5.100 4.527 0.001 0.000 0.334 563 F C 0.886 176.823 175.800 0.228 0.000 1.134 563 F CA -0.703 57.469 58.000 0.288 0.000 1.227 563 F CB 0.047 39.081 39.000 0.057 0.000 1.194 563 F HN 0.054 nan 8.300 nan 0.000 0.571 564 Q N 3.069 123.196 119.800 0.545 0.000 2.368 564 Q HA 0.382 4.723 4.340 0.001 0.000 0.256 564 Q C -2.173 174.079 176.000 0.421 0.000 0.980 564 Q CA -2.090 53.940 55.803 0.378 0.000 0.887 564 Q CB 0.290 29.176 28.738 0.246 0.000 1.221 564 Q HN 0.591 nan 8.270 nan 0.000 0.458 565 P HA -0.221 nan 4.420 nan 0.000 0.218 565 P C 1.486 178.944 177.300 0.262 0.000 1.146 565 P CA 1.844 65.075 63.100 0.217 0.000 0.820 565 P CB -0.147 31.652 31.700 0.165 0.000 0.778 566 G N 0.078 108.988 108.800 0.184 0.000 2.432 566 G HA2 -0.161 3.800 3.960 0.001 0.000 0.219 566 G HA3 -0.161 3.800 3.960 0.001 0.000 0.219 566 G C 1.624 176.565 174.900 0.068 0.000 1.135 566 G CA 0.789 45.955 45.100 0.110 0.000 0.767 566 G HN 0.446 nan 8.290 nan 0.000 0.550 567 G N -0.505 108.303 108.800 0.014 0.000 3.181 567 G HA2 0.279 4.240 3.960 0.001 0.000 0.219 567 G HA3 0.279 4.240 3.960 0.001 0.000 0.219 567 G C 0.254 174.930 174.900 -0.373 0.000 1.182 567 G CA -0.401 44.577 45.100 -0.203 0.000 0.791 567 G HN 0.311 nan 8.290 nan 0.000 0.537 568 F N 0.701 120.629 119.950 -0.038 0.000 2.923 568 F HA 0.314 4.842 4.527 0.001 0.000 0.314 568 F C 1.979 177.709 175.800 -0.118 0.000 1.196 568 F CA -0.572 57.368 58.000 -0.100 0.000 1.320 568 F CB 0.904 39.809 39.000 -0.159 0.000 0.953 568 F HN 0.064 nan 8.300 nan 0.000 0.505 569 G N 0.279 109.089 108.800 0.016 0.000 2.448 569 G HA2 -0.205 3.756 3.960 0.001 0.000 0.219 569 G HA3 -0.205 3.756 3.960 0.001 0.000 0.219 569 G C 1.828 176.706 174.900 -0.035 0.000 1.127 569 G CA 0.834 45.929 45.100 -0.008 0.000 0.766 569 G HN 0.446 nan 8.290 nan 0.000 0.552 570 A N 0.334 123.122 122.820 -0.053 0.000 2.216 570 A HA 0.233 4.554 4.320 0.001 0.000 0.214 570 A C 2.005 179.528 177.584 -0.101 0.000 1.160 570 A CA 0.431 52.424 52.037 -0.073 0.000 0.725 570 A CB -0.259 18.700 19.000 -0.070 0.000 0.784 570 A HN 0.378 nan 8.150 nan 0.000 0.472 571 L N 0.081 121.237 121.223 -0.112 0.000 2.675 571 L HA 0.052 4.392 4.340 0.001 0.000 0.239 571 L C 0.751 177.580 176.870 -0.068 0.000 1.151 571 L CA -0.338 54.420 54.840 -0.137 0.000 0.905 571 L CB -0.398 41.554 42.059 -0.178 0.000 1.057 571 L HN 0.180 nan 8.230 nan 0.000 0.435 572 S N 0.000 115.665 115.700 -0.059 0.000 2.498 572 S HA 0.000 4.471 4.470 0.001 0.000 0.327 572 S CA 0.000 58.172 58.200 -0.046 0.000 1.107 572 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517