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 3ezw_1_C DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSSTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNXXX XXXTRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LIXXXXDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEHD 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.592 176.600 -0.013 0.000 1.382 2 E CA 0.000 56.387 56.400 -0.022 0.000 0.976 2 E CB 0.000 29.677 29.700 -0.038 0.000 0.812 3 K N 3.780 124.178 120.400 -0.003 0.000 2.307 3 K HA 0.017 4.337 4.320 -0.001 0.000 0.285 3 K C 0.778 177.394 176.600 0.026 0.000 1.073 3 K CA 0.296 56.587 56.287 0.007 0.000 0.996 3 K CB 0.340 32.840 32.500 0.000 0.000 0.994 3 K HN 0.483 nan 8.250 nan 0.000 0.452 4 K N 0.914 121.283 120.400 -0.052 0.000 2.438 4 K HA 0.127 4.446 4.320 -0.001 0.000 0.206 4 K C -0.431 175.964 176.600 -0.342 0.000 1.081 4 K CA -0.222 55.975 56.287 -0.149 0.000 1.053 4 K CB 0.449 32.732 32.500 -0.360 0.000 0.908 4 K HN 0.180 nan 8.250 nan 0.000 0.556 5 Y N 0.733 121.031 120.300 -0.002 0.000 2.536 5 Y HA 0.475 5.024 4.550 -0.002 0.000 0.347 5 Y C -0.216 175.458 175.900 -0.376 0.000 1.000 5 Y CA -1.575 56.468 58.100 -0.095 0.000 1.051 5 Y CB 1.478 39.925 38.460 -0.023 0.000 1.259 5 Y HN -0.151 nan 8.280 nan 0.000 0.468 6 I N 2.707 123.193 120.570 -0.140 0.000 2.441 6 I HA 0.427 4.596 4.170 -0.001 0.000 0.295 6 I C -0.702 175.427 176.117 0.020 0.000 0.994 6 I CA -0.946 60.253 61.300 -0.169 0.000 1.144 6 I CB 1.645 39.562 38.000 -0.138 0.000 1.314 6 I HN 0.279 nan 8.210 nan 0.000 0.445 7 V N 4.755 124.670 119.914 0.002 0.000 2.459 7 V HA 0.700 4.820 4.120 -0.001 0.000 0.295 7 V C 0.240 176.354 176.094 0.035 0.000 1.029 7 V CA -0.655 61.657 62.300 0.019 0.000 0.874 7 V CB 1.708 33.529 31.823 -0.005 0.000 0.985 7 V HN 0.876 nan 8.190 nan 0.000 0.438 8 A N 6.126 128.970 122.820 0.040 0.000 2.318 8 A HA 0.846 5.165 4.320 -0.001 0.000 0.317 8 A C -0.827 176.773 177.584 0.026 0.000 1.159 8 A CA -0.533 51.529 52.037 0.041 0.000 0.799 8 A CB 0.668 19.693 19.000 0.041 0.000 1.194 8 A HN 0.800 nan 8.150 nan 0.000 0.479 9 L N 2.242 123.482 121.223 0.027 0.000 2.282 9 L HA 0.449 4.788 4.340 -0.001 0.000 0.288 9 L C -0.609 176.281 176.870 0.033 0.000 1.033 9 L CA -0.620 54.233 54.840 0.022 0.000 0.807 9 L CB 1.529 43.599 42.059 0.019 0.000 1.209 9 L HN 0.701 nan 8.230 nan 0.000 0.423 10 D N 3.284 123.706 120.400 0.037 0.000 2.420 10 D HA 0.071 4.710 4.640 -0.001 0.000 0.255 10 D C -0.684 175.660 176.300 0.072 0.000 1.185 10 D CA -0.369 53.661 54.000 0.050 0.000 0.904 10 D CB 1.147 41.974 40.800 0.046 0.000 1.102 10 D HN 0.259 nan 8.370 nan 0.000 0.534 11 Q N 2.942 122.792 119.800 0.083 0.000 2.421 11 Q HA 0.467 4.806 4.340 -0.001 0.000 0.242 11 Q C -0.028 176.077 176.000 0.175 0.000 1.024 11 Q CA -0.540 55.329 55.803 0.111 0.000 0.891 11 Q CB 1.035 29.827 28.738 0.090 0.000 1.222 11 Q HN 0.627 nan 8.270 nan 0.000 0.483 12 G N 2.110 111.048 108.800 0.230 0.000 2.588 12 G HA2 0.209 4.169 3.960 -0.001 0.000 0.281 12 G HA3 0.209 4.169 3.960 -0.001 0.000 0.281 12 G C 0.718 175.861 174.900 0.404 0.000 1.236 12 G CA -0.130 45.132 45.100 0.270 0.000 0.969 12 G HN 0.603 nan 8.290 nan 0.000 0.504 13 T N -0.324 114.466 114.554 0.392 0.000 2.746 13 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 13 T C 2.406 177.173 174.700 0.112 0.000 1.039 13 T CA 2.176 64.559 62.100 0.472 0.000 1.142 13 T CB -0.259 68.937 68.868 0.547 0.000 0.866 13 T HN 0.718 nan 8.240 nan 0.000 0.444 14 T N -1.277 113.241 114.554 -0.061 0.000 3.003 14 T HA 0.382 4.731 4.350 -0.001 0.000 0.261 14 T C 0.517 174.911 174.700 -0.511 0.000 1.003 14 T CA 0.056 61.886 62.100 -0.450 0.000 0.917 14 T CB 0.208 68.972 68.868 -0.173 0.000 1.084 14 T HN 0.412 nan 8.240 nan 0.000 0.522 15 S N -0.005 115.664 115.700 -0.051 0.000 2.565 15 S HA 0.664 5.134 4.470 -0.001 0.000 0.269 15 S C -1.205 173.611 174.600 0.361 0.000 1.153 15 S CA -0.783 57.536 58.200 0.198 0.000 0.835 15 S CB 1.701 64.951 63.200 0.083 0.000 1.122 15 S HN 0.117 nan 8.310 nan 0.000 0.462 16 S N 1.045 116.931 115.700 0.311 0.000 2.541 16 S HA 0.673 5.143 4.470 -0.001 0.000 0.283 16 S C -0.283 174.367 174.600 0.082 0.000 1.196 16 S CA -0.850 57.435 58.200 0.143 0.000 1.062 16 S CB 0.581 63.800 63.200 0.032 0.000 1.009 16 S HN 0.652 nan 8.310 nan 0.000 0.502 17 R N 0.839 121.374 120.500 0.059 0.000 2.750 17 R HA 0.795 5.134 4.340 -0.001 0.000 0.281 17 R C -1.119 175.191 176.300 0.016 0.000 0.972 17 R CA -0.745 55.377 56.100 0.037 0.000 0.912 17 R CB 1.991 32.319 30.300 0.047 0.000 1.187 17 R HN 0.657 nan 8.270 nan 0.000 0.464 18 A N 1.703 124.525 122.820 0.003 0.000 2.414 18 A HA 0.739 5.059 4.320 -0.001 0.000 0.306 18 A C -1.204 176.380 177.584 -0.000 0.000 1.054 18 A CA -0.664 51.369 52.037 -0.005 0.000 0.724 18 A CB 1.804 20.787 19.000 -0.028 0.000 1.267 18 A HN 0.362 nan 8.150 nan 0.000 0.418 19 V N 1.876 121.794 119.914 0.007 0.000 2.760 19 V HA 0.516 4.635 4.120 -0.001 0.000 0.309 19 V C -0.639 175.467 176.094 0.021 0.000 1.077 19 V CA -0.585 61.725 62.300 0.016 0.000 0.910 19 V CB 1.884 33.724 31.823 0.029 0.000 1.008 19 V HN 0.728 nan 8.190 nan 0.000 0.424 20 V N 5.372 125.295 119.914 0.015 0.000 2.417 20 V HA 0.593 4.712 4.120 -0.001 0.000 0.291 20 V C -0.157 176.002 176.094 0.108 0.000 1.024 20 V CA -0.358 61.957 62.300 0.024 0.000 0.861 20 V CB 1.561 33.329 31.823 -0.092 0.000 0.985 20 V HN 0.865 nan 8.190 nan 0.000 0.436 21 M N 4.003 123.725 119.600 0.204 0.000 2.535 21 M HA 0.481 4.961 4.480 -0.001 0.000 0.314 21 M C -0.434 176.136 176.300 0.449 0.000 1.153 21 M CA -0.560 54.926 55.300 0.309 0.000 0.924 21 M CB 2.110 34.918 32.600 0.346 0.000 1.710 21 M HN 0.895 nan 8.290 nan 0.000 0.451 22 D N -0.575 120.097 120.400 0.454 0.000 2.507 22 D HA 0.067 4.706 4.640 -0.001 0.000 0.280 22 D C 0.680 177.291 176.300 0.518 0.000 1.219 22 D CA 0.005 54.258 54.000 0.423 0.000 1.085 22 D CB 0.145 41.129 40.800 0.307 0.000 1.134 22 D HN 0.658 nan 8.370 nan 0.000 0.583 23 H N -1.134 118.100 119.070 0.274 0.000 2.529 23 H HA -0.006 4.550 4.556 -0.001 0.000 0.277 23 H C 0.082 175.627 175.328 0.361 0.000 0.999 23 H CA 0.608 56.739 56.048 0.139 0.000 1.256 23 H CB 0.400 29.966 29.762 -0.327 0.000 1.402 23 H HN 0.359 nan 8.280 nan 0.000 0.566 24 D N 0.597 121.166 120.400 0.282 0.000 2.328 24 D HA 0.085 4.724 4.640 -0.001 0.000 0.226 24 D C 0.975 177.402 176.300 0.212 0.000 1.066 24 D CA 0.703 54.819 54.000 0.194 0.000 0.861 24 D CB 0.175 41.067 40.800 0.152 0.000 0.912 24 D HN 0.428 nan 8.370 nan 0.000 0.521 25 A N 1.112 124.157 122.820 0.375 0.000 2.799 25 A HA -0.230 4.090 4.320 -0.001 0.000 0.287 25 A C 0.125 177.858 177.584 0.248 0.000 1.484 25 A CA 0.355 52.616 52.037 0.374 0.000 0.813 25 A CB -2.069 17.048 19.000 0.195 0.000 1.009 25 A HN 0.250 nan 8.150 nan 0.000 0.545 26 N N -0.341 118.501 118.700 0.236 0.000 2.514 26 N HA 0.461 5.200 4.740 -0.001 0.000 0.277 26 N C 0.046 175.670 175.510 0.189 0.000 1.126 26 N CA -0.069 53.089 53.050 0.180 0.000 0.978 26 N CB 0.705 39.287 38.487 0.159 0.000 1.106 26 N HN 0.503 nan 8.380 nan 0.000 0.461 27 I N 3.324 123.977 120.570 0.138 0.000 2.379 27 I HA -0.008 4.161 4.170 -0.001 0.000 0.290 27 I C 1.287 177.463 176.117 0.097 0.000 1.063 27 I CA -0.288 61.080 61.300 0.114 0.000 1.351 27 I CB 0.545 38.592 38.000 0.078 0.000 1.410 27 I HN 0.395 nan 8.210 nan 0.000 0.505 28 I N 3.775 124.401 120.570 0.094 0.000 2.429 28 I HA 0.016 4.186 4.170 -0.001 0.000 0.247 28 I C 1.124 177.249 176.117 0.013 0.000 1.099 28 I CA 0.986 62.322 61.300 0.060 0.000 1.422 28 I CB -0.833 37.189 38.000 0.036 0.000 1.112 28 I HN 0.676 nan 8.210 nan 0.000 0.430 29 S N -0.492 115.206 115.700 -0.005 0.000 2.625 29 S HA 0.768 5.238 4.470 -0.001 0.000 0.271 29 S C -1.010 173.588 174.600 -0.003 0.000 1.161 29 S CA -0.674 57.520 58.200 -0.009 0.000 0.820 29 S CB 2.483 65.665 63.200 -0.031 0.000 1.137 29 S HN -0.164 nan 8.310 nan 0.000 0.470 30 V N 1.230 121.142 119.914 -0.002 0.000 2.668 30 V HA 0.731 4.851 4.120 -0.001 0.000 0.304 30 V C -0.682 175.411 176.094 -0.002 0.000 1.071 30 V CA -0.531 61.771 62.300 0.003 0.000 0.894 30 V CB 1.660 33.492 31.823 0.015 0.000 1.008 30 V HN 0.997 nan 8.190 nan 0.000 0.425 31 S N 3.415 119.112 115.700 -0.005 0.000 2.526 31 S HA 0.729 5.198 4.470 -0.001 0.000 0.293 31 S C -0.869 173.734 174.600 0.006 0.000 1.092 31 S CA -0.703 57.494 58.200 -0.005 0.000 0.980 31 S CB 2.094 65.282 63.200 -0.019 0.000 1.048 31 S HN 0.814 nan 8.310 nan 0.000 0.483 32 Q N 1.576 121.383 119.800 0.013 0.000 2.304 32 Q HA 0.619 4.959 4.340 -0.001 0.000 0.270 32 Q C -1.316 174.702 176.000 0.030 0.000 1.035 32 Q CA -0.770 55.050 55.803 0.028 0.000 0.781 32 Q CB 1.236 29.995 28.738 0.035 0.000 1.261 32 Q HN 0.472 nan 8.270 nan 0.000 0.444 33 R N 2.613 123.141 120.500 0.047 0.000 2.409 33 R HA 0.304 4.644 4.340 -0.001 0.000 0.313 33 R C -1.069 175.301 176.300 0.116 0.000 0.953 33 R CA -0.258 55.875 56.100 0.056 0.000 0.849 33 R CB 1.147 31.465 30.300 0.030 0.000 1.171 33 R HN 0.668 nan 8.270 nan 0.000 0.458 34 E N 3.710 123.955 120.200 0.074 0.000 2.408 34 E HA 0.247 4.597 4.350 -0.001 0.000 0.259 34 E C -0.501 176.178 176.600 0.132 0.000 1.110 34 E CA 0.159 56.584 56.400 0.043 0.000 0.929 34 E CB 0.568 30.247 29.700 -0.034 0.000 0.971 34 E HN 0.507 nan 8.360 nan 0.000 0.438 35 F N -1.960 117.950 119.950 -0.067 0.000 2.645 35 F HA 0.376 4.903 4.527 -0.001 0.000 0.310 35 F C -0.619 175.112 175.800 -0.115 0.000 1.102 35 F CA -1.300 56.644 58.000 -0.095 0.000 0.952 35 F CB 0.976 39.902 39.000 -0.123 0.000 1.326 35 F HN 0.246 nan 8.300 nan 0.000 0.456 36 E N 1.871 122.109 120.200 0.062 0.000 2.324 36 E HA 0.107 4.457 4.350 -0.001 0.000 0.271 36 E C -0.958 175.581 176.600 -0.102 0.000 1.028 36 E CA -0.510 55.863 56.400 -0.045 0.000 0.890 36 E CB 0.729 30.434 29.700 0.009 0.000 1.004 36 E HN 0.491 nan 8.360 nan 0.000 0.431 37 Q N 4.286 123.962 119.800 -0.206 0.000 2.322 37 Q HA 0.308 4.647 4.340 -0.001 0.000 0.256 37 Q C -0.251 175.415 176.000 -0.557 0.000 0.960 37 Q CA -0.168 55.440 55.803 -0.324 0.000 0.934 37 Q CB 0.874 29.406 28.738 -0.344 0.000 1.200 37 Q HN 0.519 nan 8.270 nan 0.000 0.435 38 I N 2.991 123.282 120.570 -0.466 0.000 2.321 38 I HA 0.194 4.363 4.170 -0.001 0.000 0.291 38 I C -0.660 175.190 176.117 -0.445 0.000 0.998 38 I CA -0.794 60.294 61.300 -0.354 0.000 1.227 38 I CB 0.561 38.479 38.000 -0.136 0.000 1.368 38 I HN 0.409 nan 8.210 nan 0.000 0.466 39 Y N 7.227 127.535 120.300 0.013 0.000 2.837 39 Y HA 0.296 4.845 4.550 -0.001 0.000 0.356 39 Y C -1.462 174.439 175.900 0.002 0.000 1.035 39 Y CA -2.072 56.035 58.100 0.011 0.000 1.165 39 Y CB 0.002 38.456 38.460 -0.010 0.000 1.147 39 Y HN 0.494 nan 8.280 nan 0.000 0.628 40 P HA -0.045 nan 4.420 nan 0.000 0.221 40 P C -0.341 176.897 177.300 -0.103 0.000 1.150 40 P CA 1.036 64.156 63.100 0.033 0.000 0.800 40 P CB 0.967 32.717 31.700 0.082 0.000 0.787 41 K N -1.149 119.146 120.400 -0.176 0.000 2.522 41 K HA 0.484 4.804 4.320 -0.001 0.000 0.275 41 K C -3.025 173.458 176.600 -0.195 0.000 1.006 41 K CA -2.506 53.564 56.287 -0.362 0.000 0.890 41 K CB 1.081 33.013 32.500 -0.947 0.000 1.475 41 K HN -0.331 nan 8.250 nan 0.000 0.441 42 P HA -0.011 nan 4.420 nan 0.000 0.261 42 P C 0.467 177.797 177.300 0.050 0.000 1.203 42 P CA 1.196 64.271 63.100 -0.042 0.000 0.767 42 P CB 0.244 31.922 31.700 -0.037 0.000 0.785 43 G N 1.484 110.334 108.800 0.084 0.000 2.205 43 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.261 43 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.261 43 G C -0.379 174.671 174.900 0.250 0.000 0.980 43 G CA -0.589 44.592 45.100 0.134 0.000 0.632 43 G HN 0.333 nan 8.290 nan 0.000 0.533 44 W N 0.222 121.493 121.300 -0.049 0.000 2.316 44 W HA 0.644 5.303 4.660 -0.001 0.000 0.321 44 W C 0.156 176.663 176.519 -0.021 0.000 1.203 44 W CA -0.998 56.300 57.345 -0.078 0.000 1.214 44 W CB 1.261 30.668 29.460 -0.088 0.000 1.169 44 W HN 0.232 nan 8.180 nan 0.000 0.561 45 V N 2.996 122.952 119.914 0.068 0.000 2.623 45 V HA 0.416 4.536 4.120 -0.001 0.000 0.304 45 V C -0.462 175.505 176.094 -0.211 0.000 1.054 45 V CA -1.250 61.012 62.300 -0.063 0.000 0.882 45 V CB 1.608 33.354 31.823 -0.129 0.000 1.002 45 V HN 0.488 nan 8.190 nan 0.000 0.424 46 E N 2.113 122.178 120.200 -0.225 0.000 2.367 46 E HA 0.643 4.992 4.350 -0.001 0.000 0.273 46 E C -1.463 175.076 176.600 -0.103 0.000 0.903 46 E CA -0.921 55.363 56.400 -0.195 0.000 0.764 46 E CB 2.945 32.576 29.700 -0.115 0.000 1.252 46 E HN 0.810 nan 8.360 nan 0.000 0.446 47 H N 0.014 119.042 119.070 -0.070 0.000 2.690 47 H HA 0.184 4.739 4.556 -0.001 0.000 0.368 47 H C -1.193 174.102 175.328 -0.054 0.000 1.150 47 H CA -1.116 54.937 56.048 0.008 0.000 1.174 47 H CB 1.901 31.738 29.762 0.124 0.000 1.684 47 H HN 0.369 nan 8.280 nan 0.000 0.538 48 D N 3.188 123.648 120.400 0.100 0.000 2.325 48 D HA 0.081 4.720 4.640 -0.001 0.000 0.251 48 D C -1.854 174.423 176.300 -0.038 0.000 1.196 48 D CA -2.444 51.554 54.000 -0.004 0.000 0.866 48 D CB 1.484 42.291 40.800 0.011 0.000 1.101 48 D HN 0.247 nan 8.370 nan 0.000 0.476 49 P HA -0.122 nan 4.420 nan 0.000 0.219 49 P C 1.439 178.846 177.300 0.180 0.000 1.146 49 P CA 0.899 63.855 63.100 -0.239 0.000 0.808 49 P CB 0.153 31.341 31.700 -0.854 0.000 0.779 50 M N -1.125 118.568 119.600 0.155 0.000 2.319 50 M HA -0.063 4.416 4.480 -0.001 0.000 0.265 50 M C 1.905 178.324 176.300 0.198 0.000 1.068 50 M CA 1.407 56.872 55.300 0.275 0.000 1.118 50 M CB -1.380 31.329 32.600 0.182 0.000 1.395 50 M HN 0.080 nan 8.290 nan 0.000 0.435 51 E N 0.066 120.307 120.200 0.068 0.000 2.122 51 E HA -0.028 4.322 4.350 -0.001 0.000 0.190 51 E C 2.086 178.559 176.600 -0.212 0.000 0.977 51 E CA 0.471 56.853 56.400 -0.029 0.000 0.820 51 E CB 0.170 29.869 29.700 -0.000 0.000 0.770 51 E HN 0.405 nan 8.360 nan 0.000 0.462 52 I N 0.872 121.276 120.570 -0.277 0.000 2.127 52 I HA -0.298 3.872 4.170 -0.001 0.000 0.241 52 I C 2.454 178.542 176.117 -0.048 0.000 1.075 52 I CA 1.290 62.355 61.300 -0.392 0.000 1.334 52 I CB -0.419 37.465 38.000 -0.193 0.000 1.040 52 I HN 0.414 nan 8.210 nan 0.000 0.405 53 W N 2.028 123.334 121.300 0.009 0.000 2.355 53 W HA -0.267 4.393 4.660 -0.000 0.000 0.309 53 W C 2.513 178.984 176.519 -0.080 0.000 1.206 53 W CA 1.500 58.822 57.345 -0.037 0.000 1.284 53 W CB -0.073 29.378 29.460 -0.015 0.000 1.145 53 W HN 0.155 nan 8.180 nan 0.000 0.502 54 A N 1.014 123.709 122.820 -0.210 0.000 1.877 54 A HA -0.269 4.051 4.320 -0.001 0.000 0.216 54 A C 1.963 179.350 177.584 -0.328 0.000 1.186 54 A CA 3.158 54.989 52.037 -0.344 0.000 0.620 54 A CB -1.515 17.415 19.000 -0.117 0.000 0.822 54 A HN 0.459 nan 8.150 nan 0.000 0.443 55 T N -3.077 111.341 114.554 -0.226 0.000 2.904 55 T HA -0.131 4.218 4.350 -0.001 0.000 0.267 55 T C 1.914 176.499 174.700 -0.191 0.000 1.059 55 T CA 1.575 63.576 62.100 -0.165 0.000 1.137 55 T CB -0.224 68.594 68.868 -0.083 0.000 0.879 55 T HN 0.366 nan 8.240 nan 0.000 0.467 56 Q N 1.435 121.090 119.800 -0.242 0.000 2.123 56 Q HA 0.085 4.425 4.340 -0.001 0.000 0.199 56 Q C 2.475 178.292 176.000 -0.305 0.000 0.966 56 Q CA 1.604 57.286 55.803 -0.201 0.000 0.845 56 Q CB -0.658 28.004 28.738 -0.126 0.000 0.907 56 Q HN 0.561 nan 8.270 nan 0.000 0.439 57 S N -0.109 115.252 115.700 -0.565 0.000 2.368 57 S HA -0.158 4.312 4.470 -0.001 0.000 0.224 57 S C 1.957 176.334 174.600 -0.371 0.000 1.029 57 S CA 1.203 59.019 58.200 -0.640 0.000 0.988 57 S CB -0.527 62.016 63.200 -1.095 0.000 0.838 57 S HN 0.684 nan 8.310 nan 0.000 0.462 58 S N 2.160 117.668 115.700 -0.320 0.000 2.368 58 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 58 S C 2.091 176.607 174.600 -0.139 0.000 1.030 58 S CA 1.787 59.868 58.200 -0.198 0.000 0.999 58 S CB -1.364 61.739 63.200 -0.162 0.000 0.844 58 S HN 0.687 nan 8.310 nan 0.000 0.459 59 T N 0.519 114.997 114.554 -0.128 0.000 2.833 59 T HA 0.013 4.363 4.350 -0.001 0.000 0.269 59 T C 1.716 176.366 174.700 -0.083 0.000 1.054 59 T CA 1.118 63.168 62.100 -0.082 0.000 1.135 59 T CB -0.684 68.151 68.868 -0.055 0.000 0.869 59 T HN 0.315 nan 8.240 nan 0.000 0.466 60 L N 1.338 122.496 121.223 -0.109 0.000 2.044 60 L HA 0.167 4.506 4.340 -0.001 0.000 0.205 60 L C 2.561 179.377 176.870 -0.091 0.000 1.075 60 L CA 1.277 56.059 54.840 -0.096 0.000 0.747 60 L CB -0.898 41.093 42.059 -0.114 0.000 0.903 60 L HN 0.148 nan 8.230 nan 0.000 0.435 61 V N -0.074 119.776 119.914 -0.106 0.000 2.407 61 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 61 V C 2.632 178.682 176.094 -0.074 0.000 1.055 61 V CA 1.974 64.221 62.300 -0.089 0.000 1.049 61 V CB -0.575 31.190 31.823 -0.097 0.000 0.662 61 V HN 0.579 nan 8.190 nan 0.000 0.455 62 E N 0.123 120.279 120.200 -0.073 0.000 2.106 62 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 62 E C 2.130 178.696 176.600 -0.056 0.000 0.984 62 E CA 1.673 58.038 56.400 -0.059 0.000 0.806 62 E CB 0.042 29.710 29.700 -0.053 0.000 0.750 62 E HN 0.614 nan 8.360 nan 0.000 0.458 63 V N -1.043 118.836 119.914 -0.059 0.000 2.667 63 V HA -0.144 3.975 4.120 -0.001 0.000 0.252 63 V C 2.107 178.153 176.094 -0.081 0.000 1.065 63 V CA 1.087 63.350 62.300 -0.061 0.000 1.083 63 V CB -0.519 31.272 31.823 -0.054 0.000 0.692 63 V HN 0.185 nan 8.190 nan 0.000 0.468 64 L N 0.562 121.735 121.223 -0.083 0.000 2.102 64 L HA 0.152 4.492 4.340 -0.001 0.000 0.202 64 L C 3.045 179.866 176.870 -0.080 0.000 1.076 64 L CA 1.278 56.060 54.840 -0.096 0.000 0.761 64 L CB -0.886 41.123 42.059 -0.082 0.000 0.921 64 L HN 0.351 nan 8.230 nan 0.000 0.444 65 A N 0.606 123.388 122.820 -0.063 0.000 1.892 65 A HA -0.299 4.020 4.320 -0.001 0.000 0.218 65 A C 2.284 179.840 177.584 -0.048 0.000 1.188 65 A CA 2.342 54.348 52.037 -0.050 0.000 0.631 65 A CB -0.481 18.492 19.000 -0.045 0.000 0.822 65 A HN 0.248 nan 8.150 nan 0.000 0.447 66 K N 0.111 120.480 120.400 -0.051 0.000 2.097 66 K HA 0.062 4.381 4.320 -0.001 0.000 0.206 66 K C 1.479 178.050 176.600 -0.048 0.000 1.049 66 K CA 1.761 58.023 56.287 -0.043 0.000 0.933 66 K CB -0.474 32.002 32.500 -0.041 0.000 0.717 66 K HN 0.361 nan 8.250 nan 0.000 0.442 67 A N -0.111 122.666 122.820 -0.071 0.000 2.390 67 A HA 0.200 4.519 4.320 -0.001 0.000 0.232 67 A C -0.089 177.442 177.584 -0.088 0.000 1.233 67 A CA 0.561 52.545 52.037 -0.089 0.000 0.907 67 A CB -0.146 18.766 19.000 -0.147 0.000 0.967 67 A HN 0.441 nan 8.150 nan 0.000 0.512 68 D N -0.564 119.795 120.400 -0.068 0.000 2.686 68 D HA -0.163 4.476 4.640 -0.001 0.000 0.235 68 D C -0.534 175.730 176.300 -0.059 0.000 1.160 68 D CA 0.761 54.732 54.000 -0.049 0.000 0.645 68 D CB -1.601 39.184 40.800 -0.025 0.000 1.039 68 D HN 0.499 nan 8.370 nan 0.000 0.423 69 I N 0.634 121.142 120.570 -0.102 0.000 2.412 69 I HA 0.305 4.474 4.170 -0.001 0.000 0.296 69 I C 0.893 176.977 176.117 -0.056 0.000 0.987 69 I CA -0.554 60.680 61.300 -0.109 0.000 1.180 69 I CB 1.747 39.577 38.000 -0.284 0.000 1.340 69 I HN 0.199 nan 8.210 nan 0.000 0.455 70 S N 3.004 118.700 115.700 -0.007 0.000 2.718 70 S HA 0.375 4.845 4.470 -0.001 0.000 0.300 70 S C 0.938 175.546 174.600 0.013 0.000 1.117 70 S CA -0.569 57.630 58.200 -0.002 0.000 1.002 70 S CB 1.728 64.931 63.200 0.005 0.000 1.092 70 S HN 0.567 nan 8.310 nan 0.000 0.542 71 S N 1.502 117.203 115.700 0.002 0.000 2.368 71 S HA -0.201 4.268 4.470 -0.001 0.000 0.226 71 S C 1.239 175.847 174.600 0.014 0.000 1.044 71 S CA 2.139 60.340 58.200 0.002 0.000 1.062 71 S CB -0.946 62.251 63.200 -0.004 0.000 0.931 71 S HN 0.981 nan 8.310 nan 0.000 0.440 72 D N 0.786 121.196 120.400 0.017 0.000 2.363 72 D HA -0.048 4.592 4.640 -0.001 0.000 0.226 72 D C 1.231 177.550 176.300 0.031 0.000 1.020 72 D CA 0.338 54.348 54.000 0.016 0.000 0.892 72 D CB -0.459 40.348 40.800 0.011 0.000 0.900 72 D HN 0.449 nan 8.370 nan 0.000 0.531 73 Q N -0.354 119.483 119.800 0.061 0.000 2.319 73 Q HA 0.161 4.500 4.340 -0.001 0.000 0.202 73 Q C -0.090 175.986 176.000 0.126 0.000 0.896 73 Q CA -0.092 55.780 55.803 0.115 0.000 0.942 73 Q CB 0.952 29.829 28.738 0.231 0.000 1.083 73 Q HN 0.292 nan 8.270 nan 0.000 0.510 74 I N 0.727 121.333 120.570 0.060 0.000 2.312 74 I HA 0.173 4.342 4.170 -0.001 0.000 0.290 74 I C 0.894 176.976 176.117 -0.059 0.000 1.008 74 I CA -0.250 61.060 61.300 0.017 0.000 1.226 74 I CB 0.907 38.909 38.000 0.003 0.000 1.371 74 I HN 0.009 nan 8.210 nan 0.000 0.468 75 A N 5.485 128.207 122.820 -0.164 0.000 1.929 75 A HA 0.497 4.816 4.320 -0.001 0.000 0.216 75 A C 1.009 178.491 177.584 -0.171 0.000 1.176 75 A CA 1.268 53.179 52.037 -0.209 0.000 0.628 75 A CB 0.139 18.853 19.000 -0.478 0.000 0.816 75 A HN 0.840 nan 8.150 nan 0.000 0.444 76 A N -1.847 120.860 122.820 -0.187 0.000 2.567 76 A HA 0.609 4.928 4.320 -0.001 0.000 0.291 76 A C -1.428 176.118 177.584 -0.063 0.000 1.048 76 A CA -0.564 51.413 52.037 -0.101 0.000 0.661 76 A CB 0.244 19.192 19.000 -0.087 0.000 1.288 76 A HN 0.274 nan 8.150 nan 0.000 0.424 77 I N 1.078 121.642 120.570 -0.010 0.000 2.433 77 I HA 0.568 4.738 4.170 -0.001 0.000 0.292 77 I C 0.735 176.889 176.117 0.061 0.000 1.001 77 I CA -0.576 60.738 61.300 0.023 0.000 1.119 77 I CB 2.169 40.186 38.000 0.028 0.000 1.289 77 I HN 0.793 nan 8.210 nan 0.000 0.438 78 G N 6.735 115.578 108.800 0.071 0.000 2.356 78 G HA2 0.656 4.616 3.960 -0.001 0.000 0.322 78 G HA3 0.656 4.616 3.960 -0.001 0.000 0.322 78 G C -0.703 174.241 174.900 0.073 0.000 1.125 78 G CA -0.331 44.824 45.100 0.092 0.000 0.885 78 G HN 0.306 nan 8.290 nan 0.000 0.467 79 I N 1.177 121.793 120.570 0.076 0.000 2.406 79 I HA 0.504 4.673 4.170 -0.001 0.000 0.290 79 I C 0.220 176.358 176.117 0.034 0.000 0.999 79 I CA -0.595 60.735 61.300 0.051 0.000 1.124 79 I CB 1.351 39.376 38.000 0.041 0.000 1.289 79 I HN 0.382 nan 8.210 nan 0.000 0.441 80 T N 6.846 121.420 114.554 0.033 0.000 2.903 80 T HA 0.707 5.056 4.350 -0.001 0.000 0.299 80 T C -1.123 173.598 174.700 0.035 0.000 1.093 80 T CA -0.629 61.485 62.100 0.023 0.000 1.002 80 T CB 1.518 70.397 68.868 0.018 0.000 1.127 80 T HN 0.826 nan 8.240 nan 0.000 0.488 81 N N 2.095 120.811 118.700 0.027 0.000 2.598 81 N HA 0.190 4.930 4.740 -0.001 0.000 0.263 81 N C -1.215 174.318 175.510 0.039 0.000 1.254 81 N CA -0.876 52.207 53.050 0.055 0.000 0.863 81 N CB 1.416 39.942 38.487 0.065 0.000 1.586 81 N HN 0.804 nan 8.380 nan 0.000 0.491 82 Q N 0.926 120.786 119.800 0.100 0.000 2.308 82 Q HA 0.113 4.453 4.340 -0.001 0.000 0.313 82 Q C -0.453 175.590 176.000 0.072 0.000 1.075 82 Q CA 0.278 56.144 55.803 0.106 0.000 0.995 82 Q CB 0.654 29.599 28.738 0.345 0.000 1.107 82 Q HN 0.411 nan 8.270 nan 0.000 0.380 83 R N 2.000 122.462 120.500 -0.063 0.000 2.541 83 R HA 0.131 4.471 4.340 -0.001 0.000 0.263 83 R C 0.162 176.504 176.300 0.069 0.000 1.112 83 R CA -0.303 55.776 56.100 -0.034 0.000 1.170 83 R CB 0.433 30.662 30.300 -0.119 0.000 1.167 83 R HN 0.896 nan 8.270 nan 0.000 0.582 84 E N -1.410 118.846 120.200 0.093 0.000 5.229 84 E HA -0.264 4.086 4.350 -0.001 0.000 0.167 84 E C -0.332 176.386 176.600 0.196 0.000 1.240 84 E CA 2.260 58.757 56.400 0.161 0.000 2.124 84 E CB -1.527 28.249 29.700 0.126 0.000 1.848 84 E HN 0.677 nan 8.360 nan 0.000 0.388 85 T N 1.885 116.574 114.554 0.225 0.000 2.867 85 T HA 0.145 4.495 4.350 -0.001 0.000 0.290 85 T C 0.094 174.847 174.700 0.089 0.000 1.025 85 T CA 1.162 63.358 62.100 0.160 0.000 1.146 85 T CB 0.365 69.348 68.868 0.192 0.000 1.024 85 T HN 0.144 nan 8.240 nan 0.000 0.519 86 T N 4.645 119.235 114.554 0.060 0.000 2.812 86 T HA 0.606 4.956 4.350 -0.001 0.000 0.282 86 T C -0.072 174.634 174.700 0.009 0.000 0.990 86 T CA -0.517 61.624 62.100 0.069 0.000 0.960 86 T CB 0.541 69.535 68.868 0.211 0.000 0.948 86 T HN 0.411 nan 8.240 nan 0.000 0.438 87 I N 2.621 123.160 120.570 -0.051 0.000 2.545 87 I HA 0.617 4.786 4.170 -0.001 0.000 0.292 87 I C -0.772 175.414 176.117 0.115 0.000 1.040 87 I CA -1.207 60.068 61.300 -0.042 0.000 1.068 87 I CB 2.251 40.087 38.000 -0.274 0.000 1.251 87 I HN 0.242 nan 8.210 nan 0.000 0.424 88 V N 4.994 124.987 119.914 0.133 0.000 2.531 88 V HA 0.527 4.647 4.120 -0.001 0.000 0.301 88 V C -1.148 175.023 176.094 0.129 0.000 1.034 88 V CA -0.442 61.904 62.300 0.077 0.000 0.865 88 V CB 1.479 33.337 31.823 0.059 0.000 0.995 88 V HN 0.877 nan 8.190 nan 0.000 0.424 89 W N 2.322 123.518 121.300 -0.174 0.000 3.062 89 W HA 0.761 5.420 4.660 -0.001 0.000 0.336 89 W C -0.696 175.718 176.519 -0.176 0.000 1.224 89 W CA -1.032 56.207 57.345 -0.175 0.000 1.159 89 W CB 1.073 30.413 29.460 -0.199 0.000 1.454 89 W HN 0.442 nan 8.180 nan 0.000 0.569 90 E N 2.503 122.767 120.200 0.107 0.000 2.257 90 E HA -0.013 4.337 4.350 -0.001 0.000 0.278 90 E C 1.266 177.925 176.600 0.099 0.000 1.049 90 E CA -0.091 56.331 56.400 0.037 0.000 0.876 90 E CB 1.292 31.056 29.700 0.107 0.000 1.035 90 E HN 0.567 nan 8.360 nan 0.000 0.419 91 K N 3.561 123.935 120.400 -0.043 0.000 2.032 91 K HA -0.204 4.116 4.320 -0.001 0.000 0.209 91 K C 1.095 177.896 176.600 0.336 0.000 1.048 91 K CA 1.286 57.634 56.287 0.102 0.000 0.927 91 K CB 0.242 32.752 32.500 0.017 0.000 0.712 91 K HN 0.420 nan 8.250 nan 0.000 0.441 92 E N -0.231 120.084 120.200 0.193 0.000 2.208 92 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 92 E C 1.831 178.547 176.600 0.194 0.000 0.988 92 E CA 1.658 58.160 56.400 0.170 0.000 0.828 92 E CB 0.160 29.918 29.700 0.096 0.000 0.763 92 E HN 0.626 nan 8.360 nan 0.000 0.478 93 T N -4.633 110.056 114.554 0.225 0.000 2.959 93 T HA 0.326 4.676 4.350 -0.001 0.000 0.254 93 T C 1.492 176.355 174.700 0.271 0.000 1.003 93 T CA 0.744 62.964 62.100 0.200 0.000 0.950 93 T CB 0.739 69.692 68.868 0.142 0.000 1.090 93 T HN 0.167 nan 8.240 nan 0.000 0.503 94 G N 1.817 110.874 108.800 0.429 0.000 2.162 94 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.260 94 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.260 94 G C -0.125 174.966 174.900 0.317 0.000 0.976 94 G CA 0.207 45.577 45.100 0.450 0.000 0.655 94 G HN 0.682 nan 8.290 nan 0.000 0.533 95 K N 1.382 121.943 120.400 0.268 0.000 2.276 95 K HA 0.447 4.766 4.320 -0.001 0.000 0.285 95 K C -2.475 174.242 176.600 0.196 0.000 1.062 95 K CA -1.899 54.505 56.287 0.195 0.000 0.918 95 K CB 1.288 33.871 32.500 0.138 0.000 1.055 95 K HN 0.047 nan 8.250 nan 0.000 0.477 96 P HA -0.033 nan 4.420 nan 0.000 0.268 96 P C 0.377 177.732 177.300 0.091 0.000 1.204 96 P CA 0.012 63.146 63.100 0.057 0.000 0.768 96 P CB 0.359 31.988 31.700 -0.117 0.000 0.842 97 I N -0.086 120.557 120.570 0.122 0.000 3.578 97 I HA 0.271 4.441 4.170 -0.001 0.000 0.295 97 I C -0.027 176.242 176.117 0.254 0.000 1.280 97 I CA 0.591 61.980 61.300 0.150 0.000 1.347 97 I CB -0.173 37.897 38.000 0.117 0.000 1.051 97 I HN 0.164 nan 8.210 nan 0.000 0.460 98 Y N 0.457 120.795 120.300 0.063 0.000 2.677 98 Y HA 0.400 4.949 4.550 -0.001 0.000 0.334 98 Y C -0.579 175.322 175.900 0.000 0.000 1.196 98 Y CA -1.191 56.955 58.100 0.077 0.000 1.059 98 Y CB 0.895 39.444 38.460 0.149 0.000 1.315 98 Y HN -0.108 nan 8.280 nan 0.000 0.455 99 N N 1.323 119.763 118.700 -0.434 0.000 2.260 99 N HA 0.386 5.125 4.740 -0.001 0.000 0.230 99 N C -0.643 174.815 175.510 -0.086 0.000 1.323 99 N CA 0.713 53.592 53.050 -0.286 0.000 0.897 99 N CB 0.501 38.767 38.487 -0.367 0.000 1.146 99 N HN 0.733 nan 8.380 nan 0.000 0.460 100 A N 0.680 123.437 122.820 -0.106 0.000 2.388 100 A HA 0.392 4.712 4.320 -0.001 0.000 0.257 100 A C 0.252 177.793 177.584 -0.072 0.000 1.095 100 A CA -0.282 51.707 52.037 -0.080 0.000 0.791 100 A CB -0.148 18.801 19.000 -0.084 0.000 1.029 100 A HN 0.580 nan 8.150 nan 0.000 0.489 101 I N 3.201 123.736 120.570 -0.058 0.000 2.312 101 I HA 0.192 4.362 4.170 -0.001 0.000 0.290 101 I C -0.151 175.876 176.117 -0.150 0.000 1.008 101 I CA -0.592 60.622 61.300 -0.143 0.000 1.226 101 I CB 1.255 39.135 38.000 -0.199 0.000 1.371 101 I HN 0.322 nan 8.210 nan 0.000 0.468 102 V N 6.415 126.175 119.914 -0.257 0.000 2.924 102 V HA -0.061 4.058 4.120 -0.001 0.000 0.305 102 V C 1.327 177.342 176.094 -0.131 0.000 1.073 102 V CA -0.274 61.857 62.300 -0.281 0.000 1.098 102 V CB 0.738 32.205 31.823 -0.593 0.000 1.000 102 V HN 0.950 nan 8.190 nan 0.000 0.484 103 W N 1.986 123.269 121.300 -0.030 0.000 2.331 103 W HA -0.230 4.429 4.660 -0.001 0.000 0.291 103 W C 1.299 177.804 176.519 -0.023 0.000 1.214 103 W CA 1.294 58.681 57.345 0.069 0.000 1.228 103 W CB -0.742 28.854 29.460 0.225 0.000 1.135 103 W HN 0.661 nan 8.180 nan 0.000 0.537 104 Q N 0.457 119.873 119.800 -0.641 0.000 2.369 104 Q HA -0.035 4.304 4.340 -0.001 0.000 0.206 104 Q C 1.247 177.011 176.000 -0.393 0.000 0.963 104 Q CA 0.576 55.937 55.803 -0.738 0.000 0.894 104 Q CB -0.087 28.081 28.738 -0.949 0.000 0.965 104 Q HN 0.142 nan 8.270 nan 0.000 0.475 105 C N 1.761 120.880 119.300 -0.302 0.000 2.648 105 C HA 0.106 4.566 4.460 -0.001 0.000 0.419 105 C C 1.166 176.010 174.990 -0.243 0.000 1.352 105 C CA -0.394 58.467 59.018 -0.261 0.000 1.816 105 C CB -0.069 27.474 27.740 -0.328 0.000 2.598 105 C HN 0.365 nan 8.230 nan 0.000 0.598 106 R N 3.983 124.366 120.500 -0.196 0.000 2.466 106 R HA 0.054 4.393 4.340 -0.001 0.000 0.279 106 R C 2.000 178.195 176.300 -0.175 0.000 0.976 106 R CA -0.008 56.005 56.100 -0.144 0.000 1.081 106 R CB -0.535 29.729 30.300 -0.060 0.000 1.215 106 R HN 0.858 nan 8.270 nan 0.000 0.546 107 R N 0.307 120.545 120.500 -0.436 0.000 2.189 107 R HA -0.049 4.290 4.340 -0.001 0.000 0.223 107 R C 0.658 176.798 176.300 -0.268 0.000 1.092 107 R CA 1.728 57.487 56.100 -0.568 0.000 0.989 107 R CB -0.433 28.924 30.300 -1.572 0.000 0.876 107 R HN -0.028 nan 8.270 nan 0.000 0.457 108 T N -2.785 111.640 114.554 -0.216 0.000 3.244 108 T HA 0.469 4.819 4.350 -0.001 0.000 0.254 108 T C 1.584 176.269 174.700 -0.025 0.000 1.024 108 T CA 0.072 62.126 62.100 -0.077 0.000 0.920 108 T CB 0.936 69.770 68.868 -0.056 0.000 1.042 108 T HN 0.297 nan 8.240 nan 0.000 0.572 109 A N 2.117 124.925 122.820 -0.019 0.000 1.927 109 A HA -0.206 4.114 4.320 -0.001 0.000 0.220 109 A C 2.318 179.895 177.584 -0.010 0.000 1.185 109 A CA 1.930 53.965 52.037 -0.004 0.000 0.639 109 A CB -0.638 18.366 19.000 0.007 0.000 0.820 109 A HN 0.684 nan 8.150 nan 0.000 0.451 110 E N -0.392 119.787 120.200 -0.036 0.000 2.112 110 E HA -0.097 4.253 4.350 -0.001 0.000 0.190 110 E C 1.907 178.293 176.600 -0.357 0.000 0.979 110 E CA 0.862 57.168 56.400 -0.156 0.000 0.814 110 E CB -0.190 29.439 29.700 -0.118 0.000 0.762 110 E HN 0.677 nan 8.360 nan 0.000 0.460 111 I N 0.735 121.195 120.570 -0.184 0.000 2.226 111 I HA -0.332 3.837 4.170 -0.001 0.000 0.245 111 I C 2.551 178.648 176.117 -0.033 0.000 1.100 111 I CA 0.729 61.957 61.300 -0.120 0.000 1.374 111 I CB -0.343 37.656 38.000 -0.002 0.000 1.057 111 I HN 0.324 nan 8.210 nan 0.000 0.413 112 C N 0.788 120.089 119.300 0.001 0.000 2.429 112 C HA -0.136 4.323 4.460 -0.001 0.000 0.277 112 C C 2.680 177.723 174.990 0.089 0.000 1.262 112 C CA 0.833 59.887 59.018 0.061 0.000 1.733 112 C CB -1.035 26.748 27.740 0.072 0.000 2.010 112 C HN 0.496 nan 8.230 nan 0.000 0.483 113 E N -0.269 119.975 120.200 0.073 0.000 2.085 113 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 113 E C 1.917 178.670 176.600 0.255 0.000 0.994 113 E CA 1.352 57.847 56.400 0.158 0.000 0.801 113 E CB -0.187 29.616 29.700 0.171 0.000 0.743 113 E HN 0.695 nan 8.360 nan 0.000 0.453 114 H N 0.298 119.416 119.070 0.080 0.000 2.353 114 H HA -0.056 4.500 4.556 -0.001 0.000 0.300 114 H C 2.155 177.516 175.328 0.055 0.000 1.090 114 H CA 0.884 56.969 56.048 0.062 0.000 1.327 114 H CB -0.416 29.377 29.762 0.052 0.000 1.383 114 H HN 0.125 nan 8.280 nan 0.000 0.508 115 L N 0.165 121.500 121.223 0.187 0.000 2.046 115 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 115 L C 2.494 179.428 176.870 0.106 0.000 1.077 115 L CA 1.423 56.336 54.840 0.121 0.000 0.747 115 L CB -0.303 41.817 42.059 0.102 0.000 0.896 115 L HN 0.185 nan 8.230 nan 0.000 0.432 116 K N -0.178 120.294 120.400 0.120 0.000 2.057 116 K HA -0.198 4.122 4.320 -0.001 0.000 0.206 116 K C 2.312 178.971 176.600 0.098 0.000 1.050 116 K CA 1.126 57.478 56.287 0.108 0.000 0.935 116 K CB -0.063 32.512 32.500 0.125 0.000 0.715 116 K HN 0.097 nan 8.250 nan 0.000 0.439 117 R N 0.737 121.304 120.500 0.112 0.000 2.120 117 R HA -0.135 4.205 4.340 -0.001 0.000 0.234 117 R C 0.457 176.789 176.300 0.052 0.000 1.123 117 R CA 1.811 57.961 56.100 0.084 0.000 0.975 117 R CB -0.025 30.331 30.300 0.093 0.000 0.866 117 R HN 0.109 nan 8.270 nan 0.000 0.446 118 D N -0.645 119.787 120.400 0.054 0.000 2.352 118 D HA 0.097 4.736 4.640 -0.001 0.000 0.232 118 D C 0.774 177.091 176.300 0.028 0.000 1.055 118 D CA 1.000 55.017 54.000 0.029 0.000 0.891 118 D CB 0.384 41.199 40.800 0.025 0.000 0.897 118 D HN 0.535 nan 8.370 nan 0.000 0.529 119 G N 0.320 109.146 108.800 0.043 0.000 2.143 119 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.249 119 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.249 119 G C 0.870 175.802 174.900 0.054 0.000 0.981 119 G CA 0.118 45.244 45.100 0.043 0.000 0.665 119 G HN 0.442 nan 8.290 nan 0.000 0.528 120 L N 0.214 121.474 121.223 0.062 0.000 2.612 120 L HA 0.226 4.566 4.340 -0.001 0.000 0.230 120 L C 2.238 179.173 176.870 0.109 0.000 1.140 120 L CA 0.772 55.664 54.840 0.086 0.000 0.896 120 L CB 0.021 42.119 42.059 0.065 0.000 1.065 120 L HN 0.509 nan 8.230 nan 0.000 0.447 121 E N 1.090 121.337 120.200 0.079 0.000 2.070 121 E HA -0.315 4.034 4.350 -0.001 0.000 0.197 121 E C 1.540 178.168 176.600 0.047 0.000 1.004 121 E CA 2.085 58.520 56.400 0.058 0.000 0.805 121 E CB 0.196 29.926 29.700 0.050 0.000 0.744 121 E HN 0.449 nan 8.360 nan 0.000 0.451 122 D N -1.177 119.257 120.400 0.057 0.000 2.162 122 D HA -0.152 4.488 4.640 -0.001 0.000 0.203 122 D C 1.824 178.140 176.300 0.026 0.000 0.967 122 D CA 0.771 54.789 54.000 0.030 0.000 0.840 122 D CB -0.228 40.588 40.800 0.027 0.000 0.972 122 D HN 0.284 nan 8.370 nan 0.000 0.482 123 Y N 0.870 121.163 120.300 -0.010 0.000 2.128 123 Y HA -0.149 4.400 4.550 -0.001 0.000 0.284 123 Y C 1.977 177.870 175.900 -0.012 0.000 1.154 123 Y CA 1.644 59.737 58.100 -0.011 0.000 1.149 123 Y CB -0.249 38.207 38.460 -0.006 0.000 0.976 123 Y HN 0.009 nan 8.280 nan 0.000 0.505 124 I N -0.006 120.657 120.570 0.155 0.000 2.142 124 I HA -0.342 3.827 4.170 -0.001 0.000 0.240 124 I C 2.694 178.765 176.117 -0.078 0.000 1.078 124 I CA 1.901 63.238 61.300 0.062 0.000 1.343 124 I CB -0.476 37.573 38.000 0.082 0.000 1.046 124 I HN 0.153 nan 8.210 nan 0.000 0.405 125 R N 0.601 121.058 120.500 -0.072 0.000 2.096 125 R HA -0.148 4.192 4.340 -0.001 0.000 0.235 125 R C 2.306 178.550 176.300 -0.093 0.000 1.127 125 R CA 1.856 57.901 56.100 -0.091 0.000 0.968 125 R CB -0.074 30.187 30.300 -0.066 0.000 0.861 125 R HN 0.191 nan 8.270 nan 0.000 0.440 126 S N 0.192 115.813 115.700 -0.131 0.000 2.414 126 S HA 0.050 4.519 4.470 -0.001 0.000 0.227 126 S C 1.279 175.811 174.600 -0.113 0.000 1.022 126 S CA 0.797 58.913 58.200 -0.141 0.000 0.958 126 S CB -0.009 63.076 63.200 -0.192 0.000 0.797 126 S HN 0.458 nan 8.310 nan 0.000 0.493 127 N N 0.341 118.902 118.700 -0.232 0.000 2.454 127 N HA 0.017 4.756 4.740 -0.001 0.000 0.177 127 N C 1.613 177.068 175.510 -0.091 0.000 1.049 127 N CA 1.423 54.361 53.050 -0.188 0.000 0.887 127 N CB 0.258 38.416 38.487 -0.549 0.000 1.095 127 N HN 0.544 nan 8.380 nan 0.000 0.446 128 T N -3.485 111.007 114.554 -0.103 0.000 2.971 128 T HA 0.271 4.620 4.350 -0.001 0.000 0.252 128 T C 1.384 176.017 174.700 -0.112 0.000 1.022 128 T CA 0.815 62.865 62.100 -0.083 0.000 0.980 128 T CB 0.682 69.501 68.868 -0.082 0.000 1.044 128 T HN 0.173 nan 8.240 nan 0.000 0.501 129 G N 1.506 110.240 108.800 -0.110 0.000 2.168 129 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.263 129 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.263 129 G C -0.051 174.750 174.900 -0.165 0.000 0.977 129 G CA 0.655 45.693 45.100 -0.103 0.000 0.659 129 G HN 0.658 nan 8.290 nan 0.000 0.533 130 L N -0.754 120.312 121.223 -0.261 0.000 2.335 130 L HA 0.792 5.131 4.340 -0.001 0.000 0.268 130 L C 0.761 177.430 176.870 -0.336 0.000 1.016 130 L CA -1.416 53.152 54.840 -0.453 0.000 0.805 130 L CB 1.604 43.142 42.059 -0.869 0.000 1.311 130 L HN -0.071 nan 8.230 nan 0.000 0.456 131 V N 1.017 120.699 119.914 -0.388 0.000 2.834 131 V HA 0.332 4.451 4.120 -0.001 0.000 0.313 131 V C 0.152 176.194 176.094 -0.086 0.000 1.060 131 V CA -0.580 61.526 62.300 -0.325 0.000 0.989 131 V CB 2.123 33.440 31.823 -0.843 0.000 1.041 131 V HN 0.419 nan 8.190 nan 0.000 0.459 132 I N 3.343 123.901 120.570 -0.020 0.000 2.278 132 I HA 0.325 4.494 4.170 -0.001 0.000 0.296 132 I C -0.386 175.822 176.117 0.152 0.000 1.121 132 I CA 0.503 61.857 61.300 0.090 0.000 1.267 132 I CB 0.041 38.090 38.000 0.083 0.000 1.447 132 I HN 0.698 nan 8.210 nan 0.000 0.509 133 D N 6.736 127.285 120.400 0.249 0.000 2.736 133 D HA 0.311 4.951 4.640 -0.001 0.000 0.223 133 D C -2.204 174.225 176.300 0.215 0.000 1.231 133 D CA -1.372 52.789 54.000 0.269 0.000 0.818 133 D CB 2.602 43.652 40.800 0.416 0.000 1.587 133 D HN 0.004 nan 8.370 nan 0.000 0.463 134 P HA -0.140 nan 4.420 nan 0.000 0.226 134 P C 0.835 178.154 177.300 0.033 0.000 1.146 134 P CA 0.571 63.697 63.100 0.043 0.000 0.773 134 P CB -0.046 31.636 31.700 -0.029 0.000 0.772 135 Y N 0.533 120.715 120.300 -0.197 0.000 2.114 135 Y HA -0.175 4.374 4.550 -0.001 0.000 0.282 135 Y C 0.791 176.467 175.900 -0.374 0.000 1.165 135 Y CA 0.597 58.467 58.100 -0.384 0.000 1.148 135 Y CB -1.295 36.781 38.460 -0.641 0.000 0.972 135 Y HN -0.196 nan 8.280 nan 0.000 0.504 136 F N -0.402 119.639 119.950 0.151 0.000 2.378 136 F HA 0.212 4.738 4.527 -0.001 0.000 0.319 136 F C 1.925 177.766 175.800 0.069 0.000 1.155 136 F CA 0.219 58.222 58.000 0.005 0.000 1.157 136 F CB 0.242 39.216 39.000 -0.043 0.000 1.252 136 F HN -0.311 nan 8.300 nan 0.000 0.550 137 S N 0.684 116.552 115.700 0.281 0.000 2.402 137 S HA -0.096 4.374 4.470 -0.001 0.000 0.229 137 S C 2.265 176.958 174.600 0.156 0.000 1.021 137 S CA 1.118 59.463 58.200 0.243 0.000 0.974 137 S CB -0.692 62.738 63.200 0.383 0.000 0.800 137 S HN 0.929 nan 8.310 nan 0.000 0.484 138 G N 2.154 111.024 108.800 0.117 0.000 2.421 138 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 138 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 138 G C 1.663 176.579 174.900 0.027 0.000 1.171 138 G CA 1.636 46.745 45.100 0.014 0.000 0.775 138 G HN 0.626 nan 8.290 nan 0.000 0.543 139 T N -0.510 114.085 114.554 0.069 0.000 2.881 139 T HA -0.030 4.319 4.350 -0.001 0.000 0.270 139 T C 2.135 176.874 174.700 0.064 0.000 1.068 139 T CA 1.616 63.753 62.100 0.062 0.000 1.131 139 T CB -0.188 68.719 68.868 0.065 0.000 0.871 139 T HN 0.388 nan 8.240 nan 0.000 0.479 140 K N 0.564 120.997 120.400 0.055 0.000 2.186 140 K HA 0.168 4.487 4.320 -0.001 0.000 0.202 140 K C 2.325 178.986 176.600 0.100 0.000 1.052 140 K CA 0.666 56.973 56.287 0.034 0.000 0.965 140 K CB -0.177 32.316 32.500 -0.012 0.000 0.746 140 K HN 0.190 nan 8.250 nan 0.000 0.457 141 V N 2.124 122.090 119.914 0.085 0.000 2.358 141 V HA -0.245 3.875 4.120 -0.001 0.000 0.246 141 V C 2.354 178.466 176.094 0.029 0.000 1.047 141 V CA 1.594 63.930 62.300 0.060 0.000 1.035 141 V CB -0.380 31.387 31.823 -0.093 0.000 0.658 141 V HN 0.303 nan 8.190 nan 0.000 0.452 142 K N -1.013 119.395 120.400 0.013 0.000 2.020 142 K HA -0.308 4.011 4.320 -0.001 0.000 0.212 142 K C 2.043 178.663 176.600 0.033 0.000 1.050 142 K CA 2.505 58.797 56.287 0.007 0.000 0.929 142 K CB -0.389 32.118 32.500 0.012 0.000 0.714 142 K HN 0.568 nan 8.250 nan 0.000 0.443 143 W N 1.452 122.686 121.300 -0.110 0.000 2.321 143 W HA -0.231 4.429 4.660 -0.001 0.000 0.306 143 W C 1.677 178.095 176.519 -0.168 0.000 1.217 143 W CA 1.868 59.122 57.345 -0.152 0.000 1.257 143 W CB -0.176 29.142 29.460 -0.237 0.000 1.145 143 W HN 0.078 nan 8.180 nan 0.000 0.509 144 I N 0.137 120.847 120.570 0.232 0.000 2.179 144 I HA -0.370 3.800 4.170 -0.001 0.000 0.242 144 I C 2.398 178.472 176.117 -0.071 0.000 1.088 144 I CA 1.477 62.828 61.300 0.086 0.000 1.357 144 I CB -0.803 37.275 38.000 0.131 0.000 1.051 144 I HN 0.007 nan 8.210 nan 0.000 0.409 145 L N 0.078 121.264 121.223 -0.061 0.000 2.141 145 L HA -0.205 4.134 4.340 -0.001 0.000 0.209 145 L C 1.833 178.620 176.870 -0.138 0.000 1.094 145 L CA 1.053 55.842 54.840 -0.084 0.000 0.763 145 L CB -0.572 41.443 42.059 -0.073 0.000 0.908 145 L HN 0.261 nan 8.230 nan 0.000 0.437 146 D N -1.646 118.635 120.400 -0.198 0.000 2.277 146 D HA -0.154 4.485 4.640 -0.001 0.000 0.208 146 D C 1.914 178.018 176.300 -0.326 0.000 0.962 146 D CA 0.920 54.775 54.000 -0.242 0.000 0.865 146 D CB 0.098 40.740 40.800 -0.263 0.000 0.939 146 D HN 0.378 nan 8.370 nan 0.000 0.510 147 H N -0.411 118.322 119.070 -0.563 0.000 2.431 147 H HA 0.151 4.706 4.556 -0.001 0.000 0.295 147 H C 0.043 175.177 175.328 -0.323 0.000 1.038 147 H CA 0.672 56.331 56.048 -0.648 0.000 1.360 147 H CB 0.375 29.413 29.762 -1.207 0.000 1.433 147 H HN -0.205 nan 8.280 nan 0.000 0.536 148 V N 2.823 122.618 119.914 -0.199 0.000 2.304 148 V HA 0.082 4.201 4.120 -0.001 0.000 0.262 148 V C -0.161 175.858 176.094 -0.126 0.000 1.061 148 V CA -0.667 61.554 62.300 -0.131 0.000 0.872 148 V CB 0.454 32.282 31.823 0.009 0.000 1.077 148 V HN 0.370 nan 8.190 nan 0.000 0.480 149 E N 3.858 123.968 120.200 -0.150 0.000 2.652 149 E HA 0.262 4.611 4.350 -0.001 0.000 0.255 149 E C 1.352 177.907 176.600 -0.074 0.000 0.952 149 E CA 1.491 57.824 56.400 -0.111 0.000 0.947 149 E CB 0.258 29.894 29.700 -0.106 0.000 0.912 149 E HN 0.913 nan 8.360 nan 0.000 0.489 150 G N 2.963 111.723 108.800 -0.067 0.000 2.234 150 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.260 150 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.260 150 G C 1.202 176.072 174.900 -0.050 0.000 0.987 150 G CA 1.279 46.348 45.100 -0.051 0.000 0.625 150 G HN 0.895 nan 8.290 nan 0.000 0.532 151 S N 0.265 115.931 115.700 -0.056 0.000 2.368 151 S HA -0.086 4.384 4.470 -0.001 0.000 0.225 151 S C 2.034 176.598 174.600 -0.060 0.000 1.030 151 S CA 1.625 59.794 58.200 -0.052 0.000 0.999 151 S CB -0.366 62.806 63.200 -0.046 0.000 0.844 151 S HN 0.627 nan 8.310 nan 0.000 0.459 152 R N 1.165 121.626 120.500 -0.066 0.000 2.127 152 R HA -0.126 4.213 4.340 -0.001 0.000 0.238 152 R C 2.388 178.650 176.300 -0.062 0.000 1.134 152 R CA 1.693 57.752 56.100 -0.068 0.000 0.975 152 R CB -0.248 30.011 30.300 -0.068 0.000 0.865 152 R HN 0.524 nan 8.270 nan 0.000 0.447 153 E N 0.269 120.436 120.200 -0.054 0.000 2.158 153 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 153 E C 1.661 178.233 176.600 -0.047 0.000 0.982 153 E CA 1.166 57.538 56.400 -0.047 0.000 0.823 153 E CB 0.108 29.784 29.700 -0.040 0.000 0.766 153 E HN 0.257 nan 8.360 nan 0.000 0.468 154 R N -0.176 120.294 120.500 -0.050 0.000 2.115 154 R HA 0.086 4.425 4.340 -0.001 0.000 0.226 154 R C 2.267 178.527 176.300 -0.066 0.000 1.100 154 R CA 0.972 57.042 56.100 -0.050 0.000 0.980 154 R CB -0.256 30.015 30.300 -0.047 0.000 0.875 154 R HN 0.189 nan 8.270 nan 0.000 0.445 155 A N 1.196 123.969 122.820 -0.078 0.000 1.930 155 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 155 A C 2.072 179.605 177.584 -0.085 0.000 1.175 155 A CA 1.026 53.003 52.037 -0.099 0.000 0.627 155 A CB -0.277 18.659 19.000 -0.108 0.000 0.815 155 A HN 0.176 nan 8.150 nan 0.000 0.443 156 R N -0.895 119.564 120.500 -0.069 0.000 2.081 156 R HA -0.053 4.286 4.340 -0.001 0.000 0.235 156 R C 2.331 178.604 176.300 -0.046 0.000 1.131 156 R CA 1.511 57.577 56.100 -0.056 0.000 0.960 156 R CB -0.232 30.040 30.300 -0.047 0.000 0.856 156 R HN 0.422 nan 8.270 nan 0.000 0.436 157 R N -0.780 119.694 120.500 -0.044 0.000 2.241 157 R HA -0.068 4.271 4.340 -0.001 0.000 0.224 157 R C 0.997 177.277 176.300 -0.034 0.000 1.101 157 R CA 0.997 57.077 56.100 -0.033 0.000 0.995 157 R CB 0.054 30.336 30.300 -0.030 0.000 0.870 157 R HN 0.516 nan 8.270 nan 0.000 0.463 158 G N -0.055 108.714 108.800 -0.051 0.000 2.131 158 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.223 158 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.223 158 G C 0.386 175.241 174.900 -0.074 0.000 0.990 158 G CA 0.329 45.395 45.100 -0.057 0.000 0.671 158 G HN 0.462 nan 8.290 nan 0.000 0.521 159 E N -0.805 119.346 120.200 -0.081 0.000 2.400 159 E HA 0.324 4.674 4.350 -0.001 0.000 0.195 159 E C 0.854 177.375 176.600 -0.131 0.000 1.012 159 E CA 0.266 56.621 56.400 -0.075 0.000 0.875 159 E CB 0.471 30.142 29.700 -0.047 0.000 0.859 159 E HN 0.523 nan 8.360 nan 0.000 0.498 160 L N 1.603 122.714 121.223 -0.187 0.000 2.386 160 L HA 0.506 4.846 4.340 -0.001 0.000 0.271 160 L C -0.773 175.845 176.870 -0.421 0.000 0.993 160 L CA -0.708 53.959 54.840 -0.288 0.000 0.819 160 L CB 1.859 43.804 42.059 -0.191 0.000 1.294 160 L HN -0.077 nan 8.230 nan 0.000 0.414 161 L N 2.293 123.063 121.223 -0.756 0.000 2.362 161 L HA 0.510 4.850 4.340 -0.001 0.000 0.271 161 L C -0.907 175.415 176.870 -0.913 0.000 1.002 161 L CA -0.559 53.696 54.840 -0.975 0.000 0.818 161 L CB 2.495 43.511 42.059 -1.738 0.000 1.298 161 L HN 0.371 nan 8.230 nan 0.000 0.420 162 F N 1.240 120.854 119.950 -0.560 0.000 2.399 162 F HA 0.783 5.309 4.527 -0.001 0.000 0.334 162 F C 0.257 176.032 175.800 -0.043 0.000 1.097 162 F CA -0.305 57.528 58.000 -0.278 0.000 1.076 162 F CB 1.634 40.519 39.000 -0.191 0.000 1.162 162 F HN 0.359 nan 8.300 nan 0.000 0.495 163 G N 2.962 111.340 108.800 -0.704 0.000 2.733 163 G HA2 0.477 4.437 3.960 -0.001 0.000 0.297 163 G HA3 0.477 4.437 3.960 -0.001 0.000 0.297 163 G C -1.038 173.441 174.900 -0.701 0.000 1.422 163 G CA -0.472 44.312 45.100 -0.527 0.000 0.942 163 G HN 0.844 nan 8.290 nan 0.000 0.510 164 T N -1.165 113.090 114.554 -0.498 0.000 2.729 164 T HA 0.311 4.660 4.350 -0.001 0.000 0.298 164 T C 1.554 176.251 174.700 -0.004 0.000 1.013 164 T CA -0.072 61.931 62.100 -0.162 0.000 0.957 164 T CB 1.094 69.944 68.868 -0.030 0.000 1.130 164 T HN 0.330 nan 8.240 nan 0.000 0.526 165 V N 1.918 121.866 119.914 0.057 0.000 2.548 165 V HA -0.132 3.987 4.120 -0.001 0.000 0.249 165 V C 2.696 178.876 176.094 0.142 0.000 1.055 165 V CA 1.973 64.353 62.300 0.133 0.000 1.065 165 V CB -1.071 30.839 31.823 0.146 0.000 0.681 165 V HN 1.016 nan 8.190 nan 0.000 0.462 166 D N -0.029 120.415 120.400 0.073 0.000 2.116 166 D HA -0.226 4.413 4.640 -0.001 0.000 0.193 166 D C 1.902 178.233 176.300 0.052 0.000 0.998 166 D CA 2.193 56.215 54.000 0.036 0.000 0.836 166 D CB -0.783 39.999 40.800 -0.029 0.000 0.951 166 D HN 0.415 nan 8.370 nan 0.000 0.449 167 T N -0.154 114.449 114.554 0.082 0.000 2.812 167 T HA -0.116 4.234 4.350 -0.001 0.000 0.264 167 T C 1.489 176.352 174.700 0.272 0.000 1.042 167 T CA 0.923 63.118 62.100 0.160 0.000 1.140 167 T CB -0.570 68.392 68.868 0.156 0.000 0.870 167 T HN 0.394 nan 8.240 nan 0.000 0.445 168 W N 1.876 123.162 121.300 -0.024 0.000 2.335 168 W HA -0.144 4.516 4.660 -0.001 0.000 0.311 168 W C 1.596 177.999 176.519 -0.194 0.000 1.213 168 W CA 0.938 58.080 57.345 -0.339 0.000 1.274 168 W CB -0.483 28.748 29.460 -0.381 0.000 1.148 168 W HN 0.231 nan 8.180 nan 0.000 0.498 169 L N 0.458 121.636 121.223 -0.076 0.000 2.046 169 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 169 L C 2.567 179.364 176.870 -0.122 0.000 1.077 169 L CA 1.386 56.151 54.840 -0.124 0.000 0.747 169 L CB -0.798 41.304 42.059 0.072 0.000 0.896 169 L HN -0.060 nan 8.230 nan 0.000 0.432 170 I N -1.839 118.718 120.570 -0.022 0.000 2.439 170 I HA -0.284 3.886 4.170 -0.001 0.000 0.251 170 I C 2.280 178.393 176.117 -0.006 0.000 1.139 170 I CA 1.175 62.478 61.300 0.006 0.000 1.438 170 I CB -0.194 37.819 38.000 0.022 0.000 1.085 170 I HN 0.392 nan 8.210 nan 0.000 0.427 171 W N 2.002 123.191 121.300 -0.184 0.000 2.381 171 W HA -0.167 4.493 4.660 -0.001 0.000 0.301 171 W C 2.406 178.661 176.519 -0.440 0.000 1.205 171 W CA 1.213 58.450 57.345 -0.180 0.000 1.285 171 W CB 0.163 29.620 29.460 -0.005 0.000 1.133 171 W HN -0.189 nan 8.180 nan 0.000 0.521 172 K N -0.054 120.021 120.400 -0.541 0.000 2.057 172 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 172 K C 1.914 178.059 176.600 -0.758 0.000 1.050 172 K CA 1.740 57.382 56.287 -1.075 0.000 0.935 172 K CB -0.915 30.294 32.500 -2.152 0.000 0.715 172 K HN 0.343 nan 8.250 nan 0.000 0.439 173 M N 0.615 119.989 119.600 -0.376 0.000 2.296 173 M HA -0.088 4.391 4.480 -0.001 0.000 0.265 173 M C 1.624 177.849 176.300 -0.125 0.000 1.064 173 M CA 1.617 56.877 55.300 -0.067 0.000 1.109 173 M CB -0.307 32.330 32.600 0.061 0.000 1.396 173 M HN 0.110 nan 8.290 nan 0.000 0.430 174 T N -3.333 111.094 114.554 -0.212 0.000 3.145 174 T HA 0.163 4.513 4.350 -0.001 0.000 0.255 174 T C 0.560 175.066 174.700 -0.322 0.000 1.039 174 T CA -0.332 61.650 62.100 -0.197 0.000 0.928 174 T CB 0.041 68.831 68.868 -0.131 0.000 1.029 174 T HN 0.413 nan 8.240 nan 0.000 0.554 175 Q N 0.220 119.759 119.800 -0.435 0.000 2.461 175 Q HA -0.247 4.092 4.340 -0.001 0.000 0.273 175 Q C 1.098 176.651 176.000 -0.745 0.000 1.163 175 Q CA 0.797 56.288 55.803 -0.520 0.000 0.929 175 Q CB -2.002 26.554 28.738 -0.303 0.000 1.334 175 Q HN 1.160 nan 8.270 nan 0.000 0.499 176 G N -0.640 107.478 108.800 -1.137 0.000 2.157 176 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.239 176 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.239 176 G C 0.656 175.164 174.900 -0.652 0.000 0.982 176 G CA 0.430 44.539 45.100 -1.651 0.000 0.650 176 G HN 0.421 nan 8.290 nan 0.000 0.527 177 R N -0.747 119.524 120.500 -0.383 0.000 2.148 177 R HA 0.226 4.566 4.340 -0.001 0.000 0.223 177 R C 0.595 176.883 176.300 -0.021 0.000 1.088 177 R CA 1.348 57.361 56.100 -0.145 0.000 0.985 177 R CB 0.250 30.485 30.300 -0.108 0.000 0.880 177 R HN 0.361 nan 8.270 nan 0.000 0.451 178 V N 1.037 120.948 119.914 -0.005 0.000 2.444 178 V HA 0.161 4.280 4.120 -0.001 0.000 0.294 178 V C -0.698 175.607 176.094 0.352 0.000 1.022 178 V CA -0.789 61.596 62.300 0.142 0.000 0.850 178 V CB 1.624 33.507 31.823 0.101 0.000 0.992 178 V HN 0.224 nan 8.190 nan 0.000 0.426 179 H N 4.208 123.438 119.070 0.266 0.000 2.736 179 H HA 0.729 5.285 4.556 -0.001 0.000 0.271 179 H C -1.590 173.840 175.328 0.170 0.000 1.184 179 H CA -0.197 56.036 56.048 0.308 0.000 1.378 179 H CB 1.732 31.680 29.762 0.311 0.000 1.428 179 H HN 0.508 nan 8.280 nan 0.000 0.500 180 V N 3.807 123.722 119.914 0.000 0.000 3.114 180 V HA 0.528 4.648 4.120 -0.001 0.000 0.308 180 V C -0.970 175.025 176.094 -0.165 0.000 1.168 180 V CA -0.281 61.950 62.300 -0.114 0.000 1.015 180 V CB 2.690 34.448 31.823 -0.109 0.000 1.050 180 V HN 0.755 nan 8.190 nan 0.000 0.433 181 T N 1.921 116.352 114.554 -0.205 0.000 2.812 181 T HA 0.524 4.873 4.350 -0.001 0.000 0.294 181 T C -1.889 172.610 174.700 -0.335 0.000 1.159 181 T CA -0.223 61.743 62.100 -0.223 0.000 1.008 181 T CB 1.749 70.556 68.868 -0.101 0.000 1.289 181 T HN 1.043 nan 8.240 nan 0.000 0.514 182 D N 0.251 120.459 120.400 -0.320 0.000 2.384 182 D HA 0.257 4.896 4.640 -0.001 0.000 0.250 182 D C 0.608 176.666 176.300 -0.403 0.000 1.029 182 D CA -0.549 53.246 54.000 -0.341 0.000 0.990 182 D CB 0.538 41.231 40.800 -0.178 0.000 1.175 182 D HN 0.545 nan 8.370 nan 0.000 0.532 183 Y N -0.240 119.897 120.300 -0.271 0.000 2.224 183 Y HA -0.206 4.344 4.550 -0.001 0.000 0.289 183 Y C 2.887 178.594 175.900 -0.322 0.000 1.146 183 Y CA 2.137 60.013 58.100 -0.375 0.000 1.182 183 Y CB -0.854 37.473 38.460 -0.223 0.000 0.983 183 Y HN 0.628 nan 8.280 nan 0.000 0.524 184 T N -1.794 112.726 114.554 -0.056 0.000 2.708 184 T HA -0.214 4.135 4.350 -0.001 0.000 0.266 184 T C 1.851 176.496 174.700 -0.092 0.000 1.037 184 T CA 1.745 63.804 62.100 -0.069 0.000 1.146 184 T CB -0.520 68.315 68.868 -0.055 0.000 0.865 184 T HN 0.293 nan 8.240 nan 0.000 0.435 185 N N 1.776 120.407 118.700 -0.115 0.000 2.171 185 N HA 0.073 4.812 4.740 -0.001 0.000 0.184 185 N C 2.355 177.818 175.510 -0.079 0.000 1.021 185 N CA 1.397 54.401 53.050 -0.077 0.000 0.854 185 N CB -0.578 37.871 38.487 -0.064 0.000 0.994 185 N HN 0.627 nan 8.380 nan 0.000 0.426 186 A N 1.065 123.740 122.820 -0.242 0.000 1.978 186 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 186 A C 2.332 179.761 177.584 -0.259 0.000 1.170 186 A CA 1.968 53.773 52.037 -0.387 0.000 0.636 186 A CB -0.656 17.575 19.000 -1.281 0.000 0.810 186 A HN 0.469 nan 8.150 nan 0.000 0.448 187 S N -0.650 114.929 115.700 -0.201 0.000 2.474 187 S HA -0.087 4.382 4.470 -0.001 0.000 0.235 187 S C 1.591 176.190 174.600 -0.002 0.000 0.997 187 S CA 0.793 58.986 58.200 -0.012 0.000 0.949 187 S CB -0.246 62.959 63.200 0.009 0.000 0.766 187 S HN 0.514 nan 8.310 nan 0.000 0.517 188 R N 1.579 122.085 120.500 0.010 0.000 2.310 188 R HA 0.137 4.477 4.340 -0.001 0.000 0.202 188 R C 2.052 178.434 176.300 0.136 0.000 0.933 188 R CA 1.134 57.262 56.100 0.047 0.000 1.054 188 R CB -1.415 28.927 30.300 0.071 0.000 0.985 188 R HN 0.801 nan 8.270 nan 0.000 0.489 189 T N -2.930 111.723 114.554 0.165 0.000 3.067 189 T HA 0.072 4.422 4.350 -0.001 0.000 0.257 189 T C 1.296 176.103 174.700 0.178 0.000 1.105 189 T CA 0.346 62.595 62.100 0.248 0.000 1.104 189 T CB 0.019 69.107 68.868 0.368 0.000 0.925 189 T HN 0.191 nan 8.240 nan 0.000 0.498 190 M N -0.324 119.336 119.600 0.101 0.000 2.899 190 M HA -0.165 4.314 4.480 -0.001 0.000 0.195 190 M C -0.231 176.147 176.300 0.130 0.000 0.603 190 M CA 0.704 56.037 55.300 0.055 0.000 0.712 190 M CB -1.359 31.267 32.600 0.045 0.000 2.569 190 M HN 0.419 nan 8.290 nan 0.000 0.406 191 L N -1.292 120.072 121.223 0.235 0.000 2.817 191 L HA 0.341 4.680 4.340 -0.001 0.000 0.248 191 L C 0.236 177.420 176.870 0.524 0.000 1.133 191 L CA -0.115 54.909 54.840 0.306 0.000 0.935 191 L CB 0.498 42.686 42.059 0.216 0.000 1.266 191 L HN 0.329 nan 8.230 nan 0.000 0.535 192 F N 1.129 121.209 119.950 0.217 0.000 2.482 192 F HA 0.401 4.927 4.527 -0.001 0.000 0.331 192 F C 0.212 175.999 175.800 -0.021 0.000 1.115 192 F CA -0.782 57.232 58.000 0.023 0.000 0.955 192 F CB 1.200 40.065 39.000 -0.225 0.000 1.136 192 F HN -0.172 nan 8.300 nan 0.000 0.452 193 N N 6.865 125.252 118.700 -0.521 0.000 2.408 193 N HA 0.123 4.862 4.740 -0.001 0.000 0.257 193 N C 0.922 176.150 175.510 -0.469 0.000 1.064 193 N CA -0.131 52.704 53.050 -0.357 0.000 0.952 193 N CB 0.911 39.238 38.487 -0.267 0.000 1.093 193 N HN 0.874 nan 8.380 nan 0.000 0.490 194 I N 1.191 121.625 120.570 -0.226 0.000 3.428 194 I HA 0.015 4.184 4.170 -0.001 0.000 0.286 194 I C 0.659 176.620 176.117 -0.260 0.000 1.287 194 I CA 0.359 61.578 61.300 -0.134 0.000 1.396 194 I CB -0.100 37.872 38.000 -0.046 0.000 1.062 194 I HN 0.407 nan 8.210 nan 0.000 0.471 195 H N 1.513 120.551 119.070 -0.054 0.000 2.355 195 H HA 0.039 4.594 4.556 -0.001 0.000 0.312 195 H C 2.465 177.745 175.328 -0.080 0.000 1.051 195 H CA 2.071 58.086 56.048 -0.055 0.000 1.389 195 H CB -0.411 29.282 29.762 -0.114 0.000 1.455 195 H HN 0.442 nan 8.280 nan 0.000 0.575 196 T N 0.084 114.626 114.554 -0.021 0.000 3.007 196 T HA -0.029 4.321 4.350 -0.001 0.000 0.270 196 T C 1.149 175.767 174.700 -0.136 0.000 1.107 196 T CA 0.461 62.517 62.100 -0.074 0.000 1.118 196 T CB -0.583 68.232 68.868 -0.089 0.000 0.889 196 T HN 0.357 nan 8.240 nan 0.000 0.506 197 L N 0.726 121.793 121.223 -0.260 0.000 3.608 197 L HA -0.139 4.201 4.340 -0.001 0.000 0.422 197 L C -0.415 176.267 176.870 -0.313 0.000 1.260 197 L CA 0.468 55.166 54.840 -0.237 0.000 0.889 197 L CB -2.061 40.005 42.059 0.011 0.000 1.821 197 L HN 0.481 nan 8.230 nan 0.000 0.884 198 D N -1.460 118.491 120.400 -0.749 0.000 2.609 198 D HA 0.372 5.011 4.640 -0.001 0.000 0.239 198 D C -0.521 175.401 176.300 -0.629 0.000 1.229 198 D CA -0.443 53.263 54.000 -0.491 0.000 0.808 198 D CB 0.886 41.601 40.800 -0.142 0.000 1.448 198 D HN 0.052 nan 8.370 nan 0.000 0.433 199 W N 1.064 122.341 121.300 -0.038 0.000 2.377 199 W HA 0.102 4.761 4.660 -0.001 0.000 0.341 199 W C 0.649 177.140 176.519 -0.046 0.000 1.240 199 W CA 0.040 57.409 57.345 0.040 0.000 1.311 199 W CB 0.220 29.738 29.460 0.097 0.000 1.175 199 W HN 0.261 nan 8.180 nan 0.000 0.571 200 D N 2.174 122.709 120.400 0.224 0.000 2.274 200 D HA 0.072 4.711 4.640 -0.001 0.000 0.239 200 D C 0.646 177.029 176.300 0.138 0.000 1.104 200 D CA -0.255 53.826 54.000 0.134 0.000 0.840 200 D CB 0.921 41.807 40.800 0.142 0.000 1.100 200 D HN 0.222 nan 8.370 nan 0.000 0.477 201 D N 2.692 123.154 120.400 0.103 0.000 2.144 201 D HA -0.140 4.499 4.640 -0.001 0.000 0.200 201 D C 1.604 177.925 176.300 0.034 0.000 0.978 201 D CA 0.849 54.888 54.000 0.064 0.000 0.833 201 D CB 0.215 41.043 40.800 0.047 0.000 0.961 201 D HN 0.342 nan 8.370 nan 0.000 0.470 202 K N 0.515 120.935 120.400 0.033 0.000 2.026 202 K HA -0.082 4.238 4.320 -0.001 0.000 0.208 202 K C 1.866 178.439 176.600 -0.044 0.000 1.048 202 K CA 1.025 57.274 56.287 -0.063 0.000 0.929 202 K CB -0.245 32.119 32.500 -0.227 0.000 0.713 202 K HN -0.069 nan 8.250 nan 0.000 0.439 203 M N 0.533 120.161 119.600 0.048 0.000 2.117 203 M HA -0.078 4.402 4.480 -0.001 0.000 0.262 203 M C 2.167 178.477 176.300 0.017 0.000 1.065 203 M CA 1.442 56.776 55.300 0.057 0.000 1.114 203 M CB -0.972 31.704 32.600 0.126 0.000 1.361 203 M HN 0.166 nan 8.290 nan 0.000 0.408 204 L N -0.513 120.721 121.223 0.018 0.000 2.079 204 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 204 L C 2.541 179.388 176.870 -0.038 0.000 1.081 204 L CA 1.375 56.199 54.840 -0.027 0.000 0.752 204 L CB -0.659 41.384 42.059 -0.026 0.000 0.896 204 L HN 0.433 nan 8.230 nan 0.000 0.433 205 E N 0.261 120.443 120.200 -0.030 0.000 2.046 205 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 205 E C 2.222 178.799 176.600 -0.039 0.000 0.982 205 E CA 1.614 57.991 56.400 -0.038 0.000 0.800 205 E CB 0.158 29.834 29.700 -0.041 0.000 0.756 205 E HN 0.391 nan 8.360 nan 0.000 0.449 206 V N -0.486 119.403 119.914 -0.041 0.000 2.427 206 V HA -0.156 3.964 4.120 -0.001 0.000 0.248 206 V C 2.147 178.232 176.094 -0.016 0.000 1.051 206 V CA 1.318 63.598 62.300 -0.032 0.000 1.048 206 V CB -0.572 31.228 31.823 -0.038 0.000 0.666 206 V HN 0.199 nan 8.190 nan 0.000 0.456 207 L N 0.115 121.327 121.223 -0.018 0.000 2.558 207 L HA 0.224 4.564 4.340 -0.001 0.000 0.225 207 L C 1.042 177.889 176.870 -0.038 0.000 1.128 207 L CA 0.889 55.718 54.840 -0.019 0.000 0.868 207 L CB -0.503 41.544 42.059 -0.020 0.000 1.006 207 L HN 0.452 nan 8.230 nan 0.000 0.454 208 D N 1.290 121.663 120.400 -0.045 0.000 2.718 208 D HA -0.180 4.459 4.640 -0.001 0.000 0.242 208 D C -0.641 175.611 176.300 -0.079 0.000 1.123 208 D CA 0.430 54.397 54.000 -0.056 0.000 0.690 208 D CB -0.562 40.209 40.800 -0.047 0.000 1.059 208 D HN -0.043 nan 8.370 nan 0.000 0.429 209 I N 1.165 121.675 120.570 -0.100 0.000 2.362 209 I HA 0.355 4.524 4.170 -0.001 0.000 0.289 209 I C -1.965 174.062 176.117 -0.150 0.000 0.994 209 I CA -2.093 59.119 61.300 -0.147 0.000 1.158 209 I CB 1.232 39.102 38.000 -0.216 0.000 1.315 209 I HN -0.120 nan 8.210 nan 0.000 0.451 210 P HA 0.311 nan 4.420 nan 0.000 0.276 210 P C 0.831 178.029 177.300 -0.170 0.000 1.243 210 P CA -0.381 62.642 63.100 -0.130 0.000 0.768 210 P CB 0.799 32.434 31.700 -0.108 0.000 0.856 211 R N 2.584 122.997 120.500 -0.145 0.000 2.159 211 R HA -0.215 4.124 4.340 -0.001 0.000 0.237 211 R C 1.026 177.233 176.300 -0.155 0.000 1.131 211 R CA 1.621 57.617 56.100 -0.172 0.000 0.982 211 R CB 0.009 30.261 30.300 -0.080 0.000 0.868 211 R HN 0.435 nan 8.270 nan 0.000 0.453 212 E N 0.198 120.334 120.200 -0.107 0.000 2.204 212 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 212 E C 1.689 178.238 176.600 -0.084 0.000 0.990 212 E CA 1.598 57.953 56.400 -0.073 0.000 0.821 212 E CB -0.071 29.592 29.700 -0.062 0.000 0.750 212 E HN 0.551 nan 8.360 nan 0.000 0.477 213 M N -0.903 118.619 119.600 -0.130 0.000 2.561 213 M HA 0.184 4.664 4.480 -0.001 0.000 0.238 213 M C -0.195 176.090 176.300 -0.025 0.000 1.131 213 M CA 0.385 55.611 55.300 -0.123 0.000 1.046 213 M CB 0.267 32.771 32.600 -0.159 0.000 1.532 213 M HN -0.159 nan 8.290 nan 0.000 0.497 214 L N 3.689 124.837 121.223 -0.124 0.000 2.292 214 L HA 0.510 4.850 4.340 -0.001 0.000 0.284 214 L C -2.063 174.762 176.870 -0.076 0.000 1.065 214 L CA -2.114 52.566 54.840 -0.267 0.000 0.806 214 L CB 0.860 42.376 42.059 -0.905 0.000 1.175 214 L HN 0.014 nan 8.230 nan 0.000 0.431 215 P HA 0.072 nan 4.420 nan 0.000 0.274 215 P C -0.790 176.584 177.300 0.123 0.000 1.256 215 P CA -0.557 62.327 63.100 -0.360 0.000 0.795 215 P CB 0.733 32.060 31.700 -0.623 0.000 1.038 216 E N 0.049 120.280 120.200 0.052 0.000 2.373 216 E HA 0.239 4.588 4.350 -0.001 0.000 0.267 216 E C -0.950 175.651 176.600 0.002 0.000 1.032 216 E CA -0.517 55.945 56.400 0.104 0.000 0.889 216 E CB 0.514 30.257 29.700 0.073 0.000 0.984 216 E HN 0.093 nan 8.360 nan 0.000 0.425 217 V N 5.525 125.394 119.914 -0.076 0.000 2.459 217 V HA 0.493 4.612 4.120 -0.001 0.000 0.295 217 V C 0.034 175.867 176.094 -0.435 0.000 1.029 217 V CA -0.764 61.310 62.300 -0.377 0.000 0.874 217 V CB 1.352 32.787 31.823 -0.646 0.000 0.985 217 V HN 0.669 nan 8.190 nan 0.000 0.438 218 R N 2.785 122.997 120.500 -0.481 0.000 2.888 218 R HA 0.576 4.915 4.340 -0.001 0.000 0.264 218 R C -0.217 175.936 176.300 -0.245 0.000 1.045 218 R CA -1.018 54.929 56.100 -0.255 0.000 0.962 218 R CB 1.711 32.065 30.300 0.090 0.000 1.210 218 R HN 0.884 nan 8.270 nan 0.000 0.479 219 R N -0.574 120.002 120.500 0.126 0.000 2.822 219 R HA 0.233 4.572 4.340 -0.001 0.000 0.277 219 R C 0.056 176.474 176.300 0.197 0.000 1.102 219 R CA -0.223 56.029 56.100 0.253 0.000 1.207 219 R CB 0.167 30.595 30.300 0.212 0.000 1.139 219 R HN 0.415 nan 8.270 nan 0.000 0.557 220 S N -0.644 115.132 115.700 0.126 0.000 2.558 220 S HA -0.017 4.453 4.470 -0.001 0.000 0.217 220 S C 0.295 174.956 174.600 0.102 0.000 0.975 220 S CA 0.297 58.550 58.200 0.087 0.000 0.912 220 S CB 0.198 63.359 63.200 -0.065 0.000 0.776 220 S HN 0.603 nan 8.310 nan 0.000 0.526 221 S N 1.494 117.226 115.700 0.053 0.000 2.664 221 S HA 0.500 4.969 4.470 -0.001 0.000 0.262 221 S C -1.087 173.462 174.600 -0.085 0.000 1.229 221 S CA -0.510 57.682 58.200 -0.013 0.000 1.151 221 S CB 0.422 63.617 63.200 -0.007 0.000 1.054 221 S HN 0.382 nan 8.310 nan 0.000 0.483 222 E N 2.972 122.990 120.200 -0.303 0.000 2.552 222 E HA 0.189 4.539 4.350 -0.001 0.000 0.297 222 E C -1.538 174.542 176.600 -0.867 0.000 1.038 222 E CA -0.576 55.553 56.400 -0.452 0.000 0.856 222 E CB 1.263 30.782 29.700 -0.302 0.000 1.222 222 E HN 0.379 nan 8.360 nan 0.000 0.422 223 V N 5.579 125.213 119.914 -0.468 0.000 2.425 223 V HA -0.004 4.115 4.120 -0.001 0.000 0.276 223 V C 0.246 176.119 176.094 -0.368 0.000 1.017 223 V CA 0.803 62.876 62.300 -0.379 0.000 1.062 223 V CB -0.324 31.407 31.823 -0.154 0.000 0.997 223 V HN 0.657 nan 8.190 nan 0.000 0.476 224 Y N 3.461 123.767 120.300 0.010 0.000 2.503 224 Y HA 0.495 5.044 4.550 -0.001 0.000 0.278 224 Y C 1.497 177.404 175.900 0.012 0.000 1.111 224 Y CA 0.567 58.673 58.100 0.011 0.000 1.270 224 Y CB 0.538 39.005 38.460 0.011 0.000 1.063 224 Y HN 0.783 nan 8.280 nan 0.000 0.548 225 G N -0.804 108.069 108.800 0.121 0.000 2.344 225 G HA2 0.331 4.290 3.960 -0.001 0.000 0.282 225 G HA3 0.331 4.290 3.960 -0.001 0.000 0.282 225 G C -2.009 172.918 174.900 0.045 0.000 1.281 225 G CA -0.980 44.163 45.100 0.071 0.000 0.877 225 G HN -0.168 nan 8.290 nan 0.000 0.494 226 Q N -0.759 119.055 119.800 0.023 0.000 2.416 226 Q HA 0.714 5.053 4.340 -0.001 0.000 0.281 226 Q C -1.350 174.649 176.000 -0.001 0.000 1.067 226 Q CA -0.704 55.104 55.803 0.009 0.000 0.809 226 Q CB 2.355 31.092 28.738 -0.002 0.000 1.418 226 Q HN 0.659 nan 8.270 nan 0.000 0.411 227 T N 0.869 115.423 114.554 0.001 0.000 2.900 227 T HA 0.417 4.766 4.350 -0.001 0.000 0.295 227 T C -0.406 174.292 174.700 -0.004 0.000 1.044 227 T CA -0.500 61.598 62.100 -0.003 0.000 0.995 227 T CB 0.995 69.872 68.868 0.015 0.000 1.072 227 T HN 0.424 nan 8.240 nan 0.000 0.473 236 R N 2.782 123.276 120.500 -0.010 0.000 2.248 236 R HA 0.429 4.768 4.340 -0.001 0.000 0.328 236 R C 0.049 176.344 176.300 -0.009 0.000 1.067 236 R CA -0.530 55.563 56.100 -0.010 0.000 0.924 236 R CB 0.158 30.452 30.300 -0.011 0.000 1.013 236 R HN 0.632 nan 8.270 nan 0.000 0.454 237 I N 5.798 126.364 120.570 -0.008 0.000 2.342 237 I HA 0.203 4.373 4.170 -0.001 0.000 0.291 237 I C -1.880 174.234 176.117 -0.005 0.000 1.010 237 I CA -2.285 59.009 61.300 -0.010 0.000 1.308 237 I CB 1.315 39.310 38.000 -0.009 0.000 1.400 237 I HN 0.136 nan 8.210 nan 0.000 0.488 238 P HA 0.174 nan 4.420 nan 0.000 0.268 238 P C -0.596 176.709 177.300 0.008 0.000 1.204 238 P CA 0.160 63.254 63.100 -0.009 0.000 0.768 238 P CB 0.436 32.120 31.700 -0.028 0.000 0.842 239 I N 2.507 123.102 120.570 0.041 0.000 2.312 239 I HA 0.189 4.359 4.170 -0.001 0.000 0.290 239 I C 0.730 176.911 176.117 0.107 0.000 1.008 239 I CA 0.098 61.463 61.300 0.108 0.000 1.226 239 I CB 0.950 39.050 38.000 0.167 0.000 1.371 239 I HN 0.345 nan 8.210 nan 0.000 0.468 240 S N 2.758 118.496 115.700 0.063 0.000 3.053 240 S HA 0.403 4.872 4.470 -0.001 0.000 0.255 240 S C 0.069 174.658 174.600 -0.018 0.000 0.976 240 S CA -0.492 57.620 58.200 -0.148 0.000 1.159 240 S CB 0.669 63.793 63.200 -0.126 0.000 1.110 240 S HN 0.692 nan 8.310 nan 0.000 0.633 241 G N 1.083 110.028 108.800 0.242 0.000 2.719 241 G HA2 0.720 4.679 3.960 -0.001 0.000 0.298 241 G HA3 0.720 4.679 3.960 -0.001 0.000 0.298 241 G C -1.395 173.672 174.900 0.277 0.000 1.433 241 G CA -0.693 44.554 45.100 0.244 0.000 1.034 241 G HN 0.351 nan 8.290 nan 0.000 0.517 242 I N 1.046 121.733 120.570 0.195 0.000 2.571 242 I HA 0.679 4.848 4.170 -0.001 0.000 0.289 242 I C -0.183 175.922 176.117 -0.021 0.000 1.115 242 I CA -0.829 60.483 61.300 0.020 0.000 1.045 242 I CB 2.375 40.278 38.000 -0.162 0.000 1.238 242 I HN 0.724 nan 8.210 nan 0.000 0.424 243 A N 3.873 126.673 122.820 -0.033 0.000 2.549 243 A HA 0.805 5.124 4.320 -0.001 0.000 0.297 243 A C -0.181 177.379 177.584 -0.040 0.000 1.061 243 A CA -0.533 51.474 52.037 -0.050 0.000 0.690 243 A CB 1.426 20.387 19.000 -0.066 0.000 1.287 243 A HN 0.831 nan 8.150 nan 0.000 0.402 244 G N 0.982 109.753 108.800 -0.050 0.000 2.464 244 G HA2 0.278 4.237 3.960 -0.001 0.000 0.231 244 G HA3 0.278 4.237 3.960 -0.001 0.000 0.231 244 G C 0.579 175.446 174.900 -0.054 0.000 1.267 244 G CA 0.640 45.708 45.100 -0.054 0.000 0.863 244 G HN 0.940 nan 8.290 nan 0.000 0.559 245 D N 1.205 121.562 120.400 -0.071 0.000 2.116 245 D HA -0.206 4.433 4.640 -0.001 0.000 0.193 245 D C 1.884 178.144 176.300 -0.067 0.000 0.998 245 D CA 1.501 55.465 54.000 -0.061 0.000 0.836 245 D CB -0.227 40.536 40.800 -0.062 0.000 0.951 245 D HN 0.398 nan 8.370 nan 0.000 0.449 246 Q N -0.083 119.638 119.800 -0.131 0.000 2.167 246 Q HA -0.081 4.258 4.340 -0.001 0.000 0.202 246 Q C 2.270 178.267 176.000 -0.005 0.000 0.970 246 Q CA 1.171 56.920 55.803 -0.089 0.000 0.855 246 Q CB -0.367 28.270 28.738 -0.168 0.000 0.911 246 Q HN 0.476 nan 8.270 nan 0.000 0.438 247 Q N 0.402 120.197 119.800 -0.007 0.000 2.172 247 Q HA 0.045 4.384 4.340 -0.001 0.000 0.200 247 Q C 2.004 178.044 176.000 0.067 0.000 0.964 247 Q CA 1.364 57.185 55.803 0.030 0.000 0.855 247 Q CB -0.344 28.395 28.738 0.002 0.000 0.918 247 Q HN 0.412 nan 8.270 nan 0.000 0.444 248 A N 0.641 123.485 122.820 0.040 0.000 1.933 248 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 248 A C 2.224 179.873 177.584 0.107 0.000 1.175 248 A CA 1.691 53.773 52.037 0.074 0.000 0.628 248 A CB -0.892 18.126 19.000 0.031 0.000 0.814 248 A HN 0.383 nan 8.150 nan 0.000 0.444 249 A N -0.659 122.202 122.820 0.068 0.000 1.898 249 A HA 0.024 4.343 4.320 -0.001 0.000 0.216 249 A C 2.105 179.740 177.584 0.085 0.000 1.181 249 A CA 1.610 53.685 52.037 0.063 0.000 0.620 249 A CB -0.578 18.456 19.000 0.056 0.000 0.819 249 A HN 0.609 nan 8.150 nan 0.000 0.442 250 L N -1.630 119.654 121.223 0.101 0.000 2.046 250 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 250 L C 2.183 179.135 176.870 0.137 0.000 1.077 250 L CA 2.168 57.072 54.840 0.105 0.000 0.747 250 L CB -0.727 41.394 42.059 0.103 0.000 0.896 250 L HN 0.435 nan 8.230 nan 0.000 0.432 251 F N 0.049 120.019 119.950 0.034 0.000 2.163 251 F HA 0.027 4.554 4.527 -0.001 0.000 0.297 251 F C 2.250 178.103 175.800 0.089 0.000 1.094 251 F CA 1.453 59.488 58.000 0.058 0.000 1.290 251 F CB -0.882 38.155 39.000 0.061 0.000 1.017 251 F HN 0.130 nan 8.300 nan 0.000 0.483 252 G N -0.263 108.630 108.800 0.154 0.000 2.505 252 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 252 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 252 G C 1.419 176.328 174.900 0.014 0.000 1.145 252 G CA 0.799 45.903 45.100 0.006 0.000 0.761 252 G HN 0.379 nan 8.290 nan 0.000 0.571 253 Q N -0.195 119.613 119.800 0.013 0.000 2.515 253 Q HA 0.167 4.506 4.340 -0.001 0.000 0.212 253 Q C 1.187 177.170 176.000 -0.029 0.000 0.970 253 Q CA 0.145 55.953 55.803 0.008 0.000 0.941 253 Q CB -0.021 28.733 28.738 0.027 0.000 0.998 253 Q HN 0.664 nan 8.270 nan 0.000 0.518 254 L N -0.959 120.208 121.223 -0.093 0.000 4.040 254 L HA -0.231 4.109 4.340 -0.001 0.000 0.410 254 L C -0.443 176.361 176.870 -0.110 0.000 1.187 254 L CA -0.221 54.512 54.840 -0.179 0.000 0.956 254 L CB -2.691 39.274 42.059 -0.157 0.000 2.022 254 L HN 0.219 nan 8.230 nan 0.000 0.897 255 C N 0.996 120.265 119.300 -0.052 0.000 2.400 255 C HA 0.360 4.819 4.460 -0.001 0.000 0.457 255 C C 1.864 176.864 174.990 0.017 0.000 1.020 255 C CA 0.084 59.099 59.018 -0.006 0.000 1.258 255 C CB -0.744 27.010 27.740 0.023 0.000 1.532 255 C HN 0.472 nan 8.230 nan 0.000 0.537 256 V N -1.578 118.333 119.914 -0.005 0.000 3.380 256 V HA 0.360 4.480 4.120 -0.001 0.000 0.307 256 V C 0.254 176.367 176.094 0.032 0.000 1.434 256 V CA 0.286 62.605 62.300 0.031 0.000 1.075 256 V CB -0.514 31.311 31.823 0.003 0.000 0.954 256 V HN 0.469 nan 8.190 nan 0.000 0.444 257 K N 1.309 121.721 120.400 0.021 0.000 2.385 257 K HA 0.447 4.767 4.320 -0.001 0.000 0.248 257 K C -0.401 176.215 176.600 0.028 0.000 0.955 257 K CA -0.563 55.738 56.287 0.024 0.000 0.816 257 K CB 2.451 34.958 32.500 0.012 0.000 1.250 257 K HN 0.408 nan 8.250 nan 0.000 0.434 258 E N 0.279 120.498 120.200 0.032 0.000 2.652 258 E HA -0.015 4.335 4.350 -0.001 0.000 0.255 258 E C 0.490 177.103 176.600 0.022 0.000 0.952 258 E CA 1.451 57.870 56.400 0.032 0.000 0.947 258 E CB -0.013 29.706 29.700 0.033 0.000 0.912 258 E HN 0.768 nan 8.360 nan 0.000 0.489 259 G N 3.865 112.677 108.800 0.020 0.000 2.213 259 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.236 259 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.236 259 G C 0.240 175.142 174.900 0.003 0.000 0.991 259 G CA 0.184 45.288 45.100 0.006 0.000 0.629 259 G HN 0.527 nan 8.290 nan 0.000 0.517 260 M N 1.410 121.018 119.600 0.014 0.000 2.144 260 M HA 0.622 5.102 4.480 -0.001 0.000 0.356 260 M C 0.327 176.639 176.300 0.020 0.000 1.217 260 M CA 0.285 55.593 55.300 0.013 0.000 1.087 260 M CB 1.569 34.177 32.600 0.012 0.000 1.609 260 M HN 0.531 nan 8.290 nan 0.000 0.467 261 A N 3.555 126.385 122.820 0.017 0.000 2.423 261 A HA 0.966 5.285 4.320 -0.001 0.000 0.304 261 A C -1.120 176.482 177.584 0.029 0.000 1.104 261 A CA -0.776 51.275 52.037 0.023 0.000 0.757 261 A CB 1.650 20.656 19.000 0.010 0.000 1.313 261 A HN 0.771 nan 8.150 nan 0.000 0.423 262 K N 0.128 120.550 120.400 0.038 0.000 2.522 262 K HA 0.689 5.009 4.320 -0.001 0.000 0.275 262 K C -1.358 175.264 176.600 0.037 0.000 1.006 262 K CA -0.695 55.620 56.287 0.046 0.000 0.890 262 K CB 1.104 33.639 32.500 0.059 0.000 1.475 262 K HN 0.426 nan 8.250 nan 0.000 0.441 263 N N -0.210 118.515 118.700 0.040 0.000 2.410 263 N HA 0.413 5.152 4.740 -0.001 0.000 0.287 263 N C -1.635 173.870 175.510 -0.008 0.000 1.044 263 N CA -0.370 52.656 53.050 -0.039 0.000 0.881 263 N CB 2.023 40.431 38.487 -0.131 0.000 1.405 263 N HN 0.671 nan 8.380 nan 0.000 0.490 264 T N 3.469 118.014 114.554 -0.014 0.000 2.767 264 T HA 0.302 4.652 4.350 -0.001 0.000 0.288 264 T C -0.649 174.024 174.700 -0.044 0.000 0.963 264 T CA -0.023 62.122 62.100 0.074 0.000 1.019 264 T CB 0.073 69.026 68.868 0.141 0.000 0.923 264 T HN 0.244 nan 8.240 nan 0.000 0.468 265 Y N 2.127 122.490 120.300 0.105 0.000 2.367 265 Y HA 0.596 5.146 4.550 0.000 0.000 0.342 265 Y C 0.940 176.919 175.900 0.132 0.000 0.979 265 Y CA -0.255 57.903 58.100 0.095 0.000 1.161 265 Y CB 1.099 39.591 38.460 0.054 0.000 1.155 265 Y HN 0.897 nan 8.280 nan 0.000 0.503 266 G N 0.567 109.524 108.800 0.262 0.000 3.100 266 G HA2 0.124 4.084 3.960 -0.001 0.000 0.174 266 G HA3 0.124 4.084 3.960 -0.001 0.000 0.174 266 G C 0.632 175.690 174.900 0.265 0.000 1.136 266 G CA -0.218 45.038 45.100 0.261 0.000 0.881 266 G HN 0.322 nan 8.290 nan 0.000 0.616 267 T N 0.555 115.294 114.554 0.309 0.000 2.684 267 T HA 0.117 4.467 4.350 -0.001 0.000 0.267 267 T C 1.324 176.235 174.700 0.351 0.000 1.036 267 T CA 1.709 64.004 62.100 0.325 0.000 1.148 267 T CB -0.551 68.555 68.868 0.398 0.000 0.863 267 T HN 0.717 nan 8.240 nan 0.000 0.436 268 G N -0.527 108.540 108.800 0.446 0.000 2.601 268 G HA2 0.508 4.467 3.960 -0.001 0.000 0.317 268 G HA3 0.508 4.467 3.960 -0.001 0.000 0.317 268 G C -0.536 174.344 174.900 -0.034 0.000 1.246 268 G CA -0.416 44.805 45.100 0.200 0.000 1.012 268 G HN 0.644 nan 8.290 nan 0.000 0.494 269 C N -2.067 116.986 119.300 -0.411 0.000 2.634 269 C HA 0.895 5.355 4.460 -0.001 0.000 0.313 269 C C -1.140 173.363 174.990 -0.812 0.000 1.198 269 C CA -1.525 57.227 59.018 -0.445 0.000 1.605 269 C CB 0.334 27.783 27.740 -0.485 0.000 2.196 269 C HN 0.417 nan 8.230 nan 0.000 0.486 270 F N 2.487 122.357 119.950 -0.134 0.000 2.553 270 F HA 0.571 5.097 4.527 -0.001 0.000 0.335 270 F C 0.072 175.826 175.800 -0.077 0.000 1.148 270 F CA -0.618 57.341 58.000 -0.069 0.000 0.963 270 F CB 1.612 40.590 39.000 -0.036 0.000 1.217 270 F HN 0.702 nan 8.300 nan 0.000 0.441 271 M N 5.037 124.662 119.600 0.041 0.000 2.238 271 M HA 0.713 5.192 4.480 -0.001 0.000 0.350 271 M C -1.912 174.436 176.300 0.079 0.000 1.138 271 M CA -0.589 54.726 55.300 0.026 0.000 1.040 271 M CB 1.105 33.687 32.600 -0.031 0.000 1.639 271 M HN 0.602 nan 8.290 nan 0.000 0.451 272 L N 5.200 126.468 121.223 0.075 0.000 2.422 272 L HA 0.656 4.996 4.340 -0.001 0.000 0.264 272 L C -0.959 175.947 176.870 0.060 0.000 0.984 272 L CA -0.226 54.663 54.840 0.081 0.000 0.819 272 L CB 2.306 44.420 42.059 0.092 0.000 1.330 272 L HN 0.809 nan 8.230 nan 0.000 0.410 273 M N 3.214 122.850 119.600 0.059 0.000 2.204 273 M HA 0.414 4.893 4.480 -0.001 0.000 0.293 273 M C -0.933 175.401 176.300 0.058 0.000 0.994 273 M CA -0.503 54.826 55.300 0.048 0.000 0.925 273 M CB 1.480 34.100 32.600 0.033 0.000 1.577 273 M HN 0.689 nan 8.290 nan 0.000 0.439 274 N N 2.589 121.323 118.700 0.056 0.000 2.412 274 N HA 0.013 4.753 4.740 -0.001 0.000 0.254 274 N C -0.088 175.460 175.510 0.063 0.000 1.232 274 N CA 1.113 54.201 53.050 0.064 0.000 0.880 274 N CB 0.919 39.440 38.487 0.058 0.000 1.076 274 N HN 0.811 nan 8.380 nan 0.000 0.458 275 T N 0.528 115.133 114.554 0.086 0.000 3.296 275 T HA 0.396 4.745 4.350 -0.001 0.000 0.285 275 T C 0.949 175.708 174.700 0.099 0.000 1.014 275 T CA 0.188 62.337 62.100 0.083 0.000 0.920 275 T CB -0.307 68.612 68.868 0.085 0.000 1.143 275 T HN 0.749 nan 8.240 nan 0.000 0.522 276 G N 2.553 111.408 108.800 0.091 0.000 2.547 276 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.271 276 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.271 276 G C 0.414 175.396 174.900 0.136 0.000 1.209 276 G CA 0.291 45.443 45.100 0.087 0.000 0.959 276 G HN 0.467 nan 8.290 nan 0.000 0.563 277 E N 0.633 120.909 120.200 0.126 0.000 2.511 277 E HA 0.081 4.430 4.350 -0.001 0.000 0.196 277 E C 0.938 177.691 176.600 0.255 0.000 1.066 277 E CA 0.413 56.922 56.400 0.181 0.000 0.871 277 E CB 0.164 29.926 29.700 0.102 0.000 0.863 277 E HN 0.272 nan 8.360 nan 0.000 0.520 278 K N 1.304 121.806 120.400 0.170 0.000 2.323 278 K HA 0.414 4.733 4.320 -0.001 0.000 0.259 278 K C -1.145 175.399 176.600 -0.092 0.000 0.947 278 K CA -0.509 55.782 56.287 0.006 0.000 0.819 278 K CB 1.575 34.072 32.500 -0.004 0.000 1.109 278 K HN -0.069 nan 8.250 nan 0.000 0.429 279 A N 3.642 126.192 122.820 -0.451 0.000 2.401 279 A HA 0.407 4.726 4.320 -0.001 0.000 0.259 279 A C -0.473 177.010 177.584 -0.169 0.000 1.103 279 A CA -0.487 51.259 52.037 -0.484 0.000 0.789 279 A CB 0.543 19.067 19.000 -0.794 0.000 1.035 279 A HN 0.409 nan 8.150 nan 0.000 0.491 280 V N 3.506 123.376 119.914 -0.073 0.000 2.384 280 V HA 0.280 4.399 4.120 -0.001 0.000 0.287 280 V C 0.353 176.434 176.094 -0.022 0.000 1.020 280 V CA -0.671 61.609 62.300 -0.033 0.000 0.850 280 V CB 1.404 33.226 31.823 -0.002 0.000 0.987 280 V HN 0.946 nan 8.190 nan 0.000 0.436 281 K N 3.128 123.512 120.400 -0.026 0.000 2.297 281 K HA 0.362 4.681 4.320 -0.001 0.000 0.286 281 K C 0.214 176.811 176.600 -0.005 0.000 1.053 281 K CA -0.002 56.273 56.287 -0.020 0.000 0.940 281 K CB 0.879 33.357 32.500 -0.036 0.000 1.019 281 K HN 0.724 nan 8.250 nan 0.000 0.475 282 S N 3.323 119.026 115.700 0.005 0.000 2.537 282 S HA 0.119 4.589 4.470 -0.001 0.000 0.275 282 S C 0.150 174.763 174.600 0.021 0.000 1.272 282 S CA -0.355 57.859 58.200 0.023 0.000 1.050 282 S CB 0.885 64.111 63.200 0.044 0.000 0.961 282 S HN 0.767 nan 8.310 nan 0.000 0.496 283 E N 2.646 122.862 120.200 0.027 0.000 2.562 283 E HA 0.224 4.574 4.350 -0.001 0.000 0.214 283 E C 0.083 176.710 176.600 0.045 0.000 0.979 283 E CA -0.130 56.289 56.400 0.031 0.000 1.002 283 E CB 0.355 30.068 29.700 0.022 0.000 1.048 283 E HN 0.565 nan 8.360 nan 0.000 0.488 284 N N 0.120 118.852 118.700 0.053 0.000 2.238 284 N HA 0.096 4.836 4.740 -0.001 0.000 0.235 284 N C 0.425 175.983 175.510 0.080 0.000 1.209 284 N CA 0.502 53.587 53.050 0.058 0.000 0.879 284 N CB 1.842 40.354 38.487 0.041 0.000 1.136 284 N HN 0.209 nan 8.380 nan 0.000 0.517 285 G N 1.073 109.949 108.800 0.127 0.000 2.131 285 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.201 285 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.201 285 G C -0.091 175.022 174.900 0.355 0.000 1.000 285 G CA -0.171 45.076 45.100 0.245 0.000 0.680 285 G HN 0.182 nan 8.290 nan 0.000 0.514 286 L N -0.589 120.769 121.223 0.226 0.000 2.397 286 L HA 0.793 5.132 4.340 -0.001 0.000 0.266 286 L C 0.869 177.858 176.870 0.198 0.000 1.040 286 L CA -1.320 53.667 54.840 0.246 0.000 0.800 286 L CB 1.072 43.220 42.059 0.148 0.000 1.324 286 L HN 0.011 nan 8.230 nan 0.000 0.469 287 L N -0.223 121.128 121.223 0.214 0.000 2.331 287 L HA 0.500 4.839 4.340 -0.001 0.000 0.275 287 L C -0.445 176.478 176.870 0.090 0.000 1.022 287 L CA -0.475 54.441 54.840 0.127 0.000 0.812 287 L CB 1.820 44.006 42.059 0.211 0.000 1.257 287 L HN 0.520 nan 8.230 nan 0.000 0.435 288 T N 0.526 115.102 114.554 0.036 0.000 2.794 288 T HA 0.519 4.869 4.350 -0.001 0.000 0.280 288 T C -0.171 174.558 174.700 0.049 0.000 0.987 288 T CA -0.346 61.782 62.100 0.047 0.000 0.993 288 T CB 1.750 70.626 68.868 0.013 0.000 0.939 288 T HN 0.644 nan 8.240 nan 0.000 0.449 289 T N 1.948 116.561 114.554 0.098 0.000 2.816 289 T HA 0.620 4.969 4.350 -0.001 0.000 0.299 289 T C -0.927 173.822 174.700 0.081 0.000 1.230 289 T CA -0.689 61.457 62.100 0.076 0.000 1.007 289 T CB 0.831 69.733 68.868 0.056 0.000 1.289 289 T HN 0.466 nan 8.240 nan 0.000 0.508 290 I N 2.462 123.027 120.570 -0.008 0.000 2.474 290 I HA 0.601 4.771 4.170 -0.001 0.000 0.287 290 I C 0.523 176.583 176.117 -0.096 0.000 1.048 290 I CA -0.323 60.889 61.300 -0.146 0.000 1.383 290 I CB 1.202 39.099 38.000 -0.172 0.000 1.412 290 I HN 0.728 nan 8.210 nan 0.000 0.531 291 A N 5.259 127.997 122.820 -0.138 0.000 2.486 291 A HA 0.700 5.020 4.320 -0.001 0.000 0.289 291 A C -1.296 176.247 177.584 -0.067 0.000 1.176 291 A CA -0.501 51.505 52.037 -0.053 0.000 0.757 291 A CB 1.305 20.309 19.000 0.007 0.000 1.337 291 A HN 0.729 nan 8.150 nan 0.000 0.423 292 C N 0.944 120.249 119.300 0.009 0.000 2.307 292 C HA 0.678 5.138 4.460 -0.001 0.000 0.340 292 C C 1.309 176.389 174.990 0.150 0.000 1.275 292 C CA -0.324 58.705 59.018 0.018 0.000 1.811 292 C CB -0.045 27.617 27.740 -0.131 0.000 2.372 292 C HN 1.041 nan 8.230 nan 0.000 0.531 293 G N 3.477 112.330 108.800 0.088 0.000 2.653 293 G HA2 0.353 4.313 3.960 -0.001 0.000 0.265 293 G HA3 0.353 4.313 3.960 -0.001 0.000 0.265 293 G C -1.510 173.532 174.900 0.237 0.000 1.237 293 G CA -0.595 44.579 45.100 0.123 0.000 0.946 293 G HN 0.467 nan 8.290 nan 0.000 0.522 294 P HA -0.084 nan 4.420 nan 0.000 0.218 294 P C 1.766 179.190 177.300 0.206 0.000 1.148 294 P CA 2.222 65.413 63.100 0.152 0.000 0.822 294 P CB 0.132 31.867 31.700 0.060 0.000 0.784 295 T N -6.176 108.472 114.554 0.157 0.000 3.092 295 T HA 0.438 4.788 4.350 -0.001 0.000 0.258 295 T C 1.280 176.052 174.700 0.121 0.000 1.031 295 T CA 0.315 62.498 62.100 0.138 0.000 0.925 295 T CB -0.562 68.355 68.868 0.083 0.000 1.036 295 T HN 0.220 nan 8.240 nan 0.000 0.544 296 G N 2.308 111.179 108.800 0.119 0.000 2.132 296 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.234 296 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.234 296 G C -0.116 174.787 174.900 0.005 0.000 0.989 296 G CA 0.065 45.169 45.100 0.006 0.000 0.676 296 G HN 0.981 nan 8.290 nan 0.000 0.522 297 E N 0.592 120.802 120.200 0.016 0.000 2.409 297 E HA 0.320 4.669 4.350 -0.001 0.000 0.257 297 E C 0.388 176.935 176.600 -0.088 0.000 1.150 297 E CA -0.332 56.054 56.400 -0.023 0.000 0.942 297 E CB 1.097 30.789 29.700 -0.014 0.000 0.979 297 E HN 0.372 nan 8.360 nan 0.000 0.447 298 V N 3.029 122.834 119.914 -0.182 0.000 2.485 298 V HA 0.012 4.132 4.120 -0.001 0.000 0.287 298 V C 0.631 176.545 176.094 -0.300 0.000 1.022 298 V CA 0.374 62.474 62.300 -0.334 0.000 1.067 298 V CB -0.719 30.776 31.823 -0.547 0.000 0.967 298 V HN 0.602 nan 8.190 nan 0.000 0.479 299 N N 2.818 121.330 118.700 -0.314 0.000 2.815 299 N HA 0.624 5.363 4.740 -0.001 0.000 0.315 299 N C -1.579 173.608 175.510 -0.539 0.000 1.320 299 N CA -0.763 52.127 53.050 -0.267 0.000 0.846 299 N CB 1.832 40.281 38.487 -0.064 0.000 1.344 299 N HN 0.483 nan 8.380 nan 0.000 0.593 300 Y N -0.042 120.249 120.300 -0.015 0.000 2.562 300 Y HA 0.693 5.243 4.550 -0.001 0.000 0.343 300 Y C -0.156 175.747 175.900 0.006 0.000 1.025 300 Y CA -0.715 57.375 58.100 -0.018 0.000 1.082 300 Y CB 1.937 40.380 38.460 -0.028 0.000 1.264 300 Y HN 0.461 nan 8.280 nan 0.000 0.478 301 A N 1.709 124.631 122.820 0.170 0.000 2.515 301 A HA 0.807 5.127 4.320 -0.001 0.000 0.296 301 A C -1.800 175.852 177.584 0.113 0.000 1.094 301 A CA -0.806 51.301 52.037 0.117 0.000 0.718 301 A CB 1.194 20.246 19.000 0.086 0.000 1.307 301 A HN 0.718 nan 8.150 nan 0.000 0.408 302 L N 0.982 122.260 121.223 0.092 0.000 2.334 302 L HA 0.620 4.960 4.340 -0.001 0.000 0.277 302 L C 0.289 177.222 176.870 0.104 0.000 1.075 302 L CA -0.157 54.737 54.840 0.089 0.000 0.804 302 L CB 1.463 43.563 42.059 0.069 0.000 1.174 302 L HN 0.879 nan 8.230 nan 0.000 0.438 303 E N 1.237 121.518 120.200 0.136 0.000 2.314 303 E HA 0.606 4.955 4.350 -0.001 0.000 0.272 303 E C -1.094 175.627 176.600 0.202 0.000 0.884 303 E CA -0.738 55.764 56.400 0.171 0.000 0.753 303 E CB 2.262 32.094 29.700 0.220 0.000 1.213 303 E HN 0.665 nan 8.360 nan 0.000 0.432 304 G N 1.650 110.542 108.800 0.154 0.000 2.557 304 G HA2 0.616 4.576 3.960 -0.001 0.000 0.310 304 G HA3 0.616 4.576 3.960 -0.001 0.000 0.310 304 G C -1.122 173.809 174.900 0.051 0.000 1.328 304 G CA -0.455 44.714 45.100 0.114 0.000 0.945 304 G HN 0.473 nan 8.290 nan 0.000 0.494 305 A N 2.518 125.392 122.820 0.090 0.000 2.273 305 A HA 0.630 4.950 4.320 -0.001 0.000 0.320 305 A C -0.382 176.996 177.584 -0.343 0.000 1.358 305 A CA -0.477 51.566 52.037 0.010 0.000 0.910 305 A CB 1.024 20.360 19.000 0.562 0.000 1.159 305 A HN 0.755 nan 8.150 nan 0.000 0.526 306 V N 4.704 124.314 119.914 -0.506 0.000 2.311 306 V HA 0.197 4.317 4.120 -0.001 0.000 0.275 306 V C 0.559 176.501 176.094 -0.255 0.000 1.022 306 V CA -0.234 61.796 62.300 -0.450 0.000 0.830 306 V CB 0.196 31.809 31.823 -0.350 0.000 1.012 306 V HN 0.858 nan 8.190 nan 0.000 0.452 307 F N 2.998 122.833 119.950 -0.192 0.000 2.102 307 F HA 0.084 4.610 4.527 -0.001 0.000 0.298 307 F C 1.253 177.102 175.800 0.082 0.000 1.105 307 F CA 1.015 59.007 58.000 -0.013 0.000 1.239 307 F CB -0.157 38.824 39.000 -0.033 0.000 0.991 307 F HN 0.284 nan 8.300 nan 0.000 0.474 308 M N -0.587 119.152 119.600 0.233 0.000 2.046 308 M HA 0.531 5.011 4.480 -0.001 0.000 0.309 308 M C 0.167 176.574 176.300 0.177 0.000 0.935 308 M CA -0.175 55.262 55.300 0.227 0.000 0.915 308 M CB 1.382 34.148 32.600 0.278 0.000 1.474 308 M HN 0.090 nan 8.290 nan 0.000 0.415 309 A N 2.786 125.715 122.820 0.182 0.000 2.085 309 A HA 0.637 4.956 4.320 -0.001 0.000 0.202 309 A C 1.571 179.272 177.584 0.195 0.000 2.124 309 A CA 0.682 52.821 52.037 0.170 0.000 1.584 309 A CB -1.044 18.037 19.000 0.136 0.000 1.136 309 A HN 0.763 nan 8.150 nan 0.000 0.493 310 G N 0.168 109.087 108.800 0.199 0.000 2.475 310 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.220 310 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.220 310 G C 1.532 176.538 174.900 0.176 0.000 1.125 310 G CA 1.902 47.112 45.100 0.184 0.000 0.755 310 G HN 1.059 nan 8.290 nan 0.000 0.565 311 A N 0.545 123.477 122.820 0.187 0.000 1.969 311 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 311 A C 2.688 180.368 177.584 0.160 0.000 1.169 311 A CA 2.068 54.199 52.037 0.156 0.000 0.635 311 A CB -0.467 18.622 19.000 0.147 0.000 0.810 311 A HN 0.306 nan 8.150 nan 0.000 0.445 312 S N -0.204 115.631 115.700 0.224 0.000 2.368 312 S HA -0.141 4.329 4.470 -0.001 0.000 0.225 312 S C 1.731 176.521 174.600 0.316 0.000 1.030 312 S CA 1.564 59.951 58.200 0.312 0.000 0.999 312 S CB -0.406 63.001 63.200 0.346 0.000 0.844 312 S HN 0.465 nan 8.310 nan 0.000 0.459 313 I N 1.985 122.695 120.570 0.234 0.000 2.226 313 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 313 I C 2.470 178.672 176.117 0.142 0.000 1.100 313 I CA 1.372 62.783 61.300 0.185 0.000 1.374 313 I CB -0.692 37.401 38.000 0.155 0.000 1.057 313 I HN 0.276 nan 8.210 nan 0.000 0.413 314 Q N -1.290 118.589 119.800 0.132 0.000 2.096 314 Q HA -0.277 4.063 4.340 -0.001 0.000 0.204 314 Q C 2.108 178.152 176.000 0.073 0.000 0.982 314 Q CA 2.198 58.053 55.803 0.086 0.000 0.850 314 Q CB -0.489 28.297 28.738 0.081 0.000 0.901 314 Q HN 0.649 nan 8.270 nan 0.000 0.422 315 W N 1.041 122.277 121.300 -0.108 0.000 2.379 315 W HA -0.116 4.543 4.660 -0.001 0.000 0.307 315 W C 1.505 177.949 176.519 -0.126 0.000 1.200 315 W CA 1.073 58.299 57.345 -0.198 0.000 1.297 315 W CB -0.264 28.963 29.460 -0.389 0.000 1.140 315 W HN 0.029 nan 8.180 nan 0.000 0.507 316 L N 0.352 121.590 121.223 0.025 0.000 2.043 316 L HA -0.254 4.085 4.340 -0.001 0.000 0.212 316 L C 2.799 179.524 176.870 -0.242 0.000 1.075 316 L CA 1.905 56.646 54.840 -0.164 0.000 0.752 316 L CB -0.764 41.327 42.059 0.054 0.000 0.891 316 L HN 0.024 nan 8.230 nan 0.000 0.432 317 R N -0.342 120.080 120.500 -0.130 0.000 2.062 317 R HA -0.127 4.213 4.340 -0.001 0.000 0.226 317 R C 1.797 178.004 176.300 -0.155 0.000 1.125 317 R CA 1.685 57.721 56.100 -0.107 0.000 0.966 317 R CB 0.085 30.366 30.300 -0.032 0.000 0.861 317 R HN 0.294 nan 8.270 nan 0.000 0.433 318 D N -0.323 119.974 120.400 -0.171 0.000 2.201 318 D HA -0.060 4.579 4.640 -0.001 0.000 0.209 318 D C 1.670 177.822 176.300 -0.247 0.000 0.961 318 D CA 0.879 54.781 54.000 -0.163 0.000 0.861 318 D CB 0.144 40.884 40.800 -0.100 0.000 0.997 318 D HN 0.151 nan 8.370 nan 0.000 0.486 319 E N -0.371 119.573 120.200 -0.425 0.000 2.201 319 E HA 0.119 4.469 4.350 -0.001 0.000 0.193 319 E C 1.892 178.141 176.600 -0.585 0.000 0.957 319 E CA 0.371 56.469 56.400 -0.504 0.000 0.858 319 E CB 0.164 29.475 29.700 -0.648 0.000 0.816 319 E HN 0.211 nan 8.360 nan 0.000 0.475 320 M N 0.011 119.137 119.600 -0.789 0.000 2.510 320 M HA 0.087 4.566 4.480 -0.001 0.000 0.256 320 M C 0.303 176.380 176.300 -0.372 0.000 1.132 320 M CA 0.229 55.142 55.300 -0.646 0.000 1.105 320 M CB -0.242 31.849 32.600 -0.849 0.000 1.375 320 M HN -0.134 nan 8.290 nan 0.000 0.477 321 K N 1.265 121.473 120.400 -0.320 0.000 3.415 321 K HA -0.171 4.148 4.320 -0.001 0.000 0.271 321 K C 0.745 177.223 176.600 -0.203 0.000 0.876 321 K CA 0.070 56.229 56.287 -0.213 0.000 0.670 321 K CB -1.232 31.171 32.500 -0.161 0.000 1.510 321 K HN 0.349 nan 8.250 nan 0.000 0.455 322 L N -0.203 120.881 121.223 -0.232 0.000 2.492 322 L HA 0.127 4.467 4.340 -0.001 0.000 0.223 322 L C 1.043 177.750 176.870 -0.272 0.000 1.132 322 L CA 0.612 55.311 54.840 -0.235 0.000 0.850 322 L CB -0.204 41.727 42.059 -0.213 0.000 0.966 322 L HN 0.359 nan 8.230 nan 0.000 0.454 329 S N -0.232 115.585 115.700 0.196 0.000 2.402 329 S HA -0.155 4.314 4.470 -0.001 0.000 0.229 329 S C 1.479 176.154 174.600 0.124 0.000 1.021 329 S CA 1.595 59.919 58.200 0.207 0.000 0.974 329 S CB -0.339 62.953 63.200 0.153 0.000 0.800 329 S HN 0.602 nan 8.310 nan 0.000 0.484 330 E N -0.019 120.234 120.200 0.088 0.000 2.107 330 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 330 E C 1.891 178.463 176.600 -0.047 0.000 0.982 330 E CA 0.852 57.266 56.400 0.025 0.000 0.809 330 E CB -0.366 29.381 29.700 0.079 0.000 0.756 330 E HN 0.654 nan 8.360 nan 0.000 0.459 331 Y N 0.609 120.818 120.300 -0.151 0.000 2.053 331 Y HA -0.284 4.265 4.550 -0.002 0.000 0.277 331 Y C 1.684 177.389 175.900 -0.325 0.000 1.159 331 Y CA 2.155 60.080 58.100 -0.293 0.000 1.125 331 Y CB -0.830 37.336 38.460 -0.491 0.000 0.969 331 Y HN 0.069 nan 8.280 nan 0.000 0.492 332 F N -0.019 119.755 119.950 -0.293 0.000 2.186 332 F HA -0.090 4.437 4.527 0.001 0.000 0.299 332 F C 2.642 178.225 175.800 -0.360 0.000 1.090 332 F CA 0.948 58.715 58.000 -0.389 0.000 1.307 332 F CB -0.817 38.087 39.000 -0.160 0.000 1.019 332 F HN 0.166 nan 8.300 nan 0.000 0.489 333 A N -0.088 122.645 122.820 -0.146 0.000 2.019 333 A HA -0.185 4.135 4.320 -0.001 0.000 0.219 333 A C 2.077 179.371 177.584 -0.484 0.000 1.164 333 A CA 2.057 53.887 52.037 -0.344 0.000 0.644 333 A CB -1.260 17.450 19.000 -0.484 0.000 0.805 333 A HN 0.426 nan 8.150 nan 0.000 0.449 334 T N -3.522 110.779 114.554 -0.421 0.000 3.060 334 T HA 0.167 4.516 4.350 -0.001 0.000 0.249 334 T C 1.403 175.941 174.700 -0.270 0.000 1.079 334 T CA 0.455 62.342 62.100 -0.355 0.000 1.013 334 T CB -0.004 68.714 68.868 -0.250 0.000 0.975 334 T HN 0.412 nan 8.240 nan 0.000 0.518 335 K N 1.506 121.718 120.400 -0.313 0.000 2.515 335 K HA 0.135 4.454 4.320 -0.001 0.000 0.196 335 K C 0.854 177.334 176.600 -0.199 0.000 1.038 335 K CA 0.439 56.562 56.287 -0.273 0.000 0.967 335 K CB -0.094 32.224 32.500 -0.303 0.000 0.780 335 K HN 0.543 nan 8.250 nan 0.000 0.483 336 V N -2.862 116.929 119.914 -0.206 0.000 3.102 336 V HA 0.256 4.376 4.120 -0.001 0.000 0.312 336 V C 0.244 176.284 176.094 -0.091 0.000 1.135 336 V CA -0.973 61.235 62.300 -0.153 0.000 1.022 336 V CB 2.138 33.810 31.823 -0.252 0.000 1.056 336 V HN -0.196 nan 8.190 nan 0.000 0.436 337 Q N 1.626 121.418 119.800 -0.013 0.000 2.408 337 Q HA 0.255 4.594 4.340 -0.001 0.000 0.205 337 Q C 0.050 176.082 176.000 0.054 0.000 0.919 337 Q CA 0.950 56.765 55.803 0.020 0.000 0.932 337 Q CB 0.042 28.802 28.738 0.035 0.000 1.058 337 Q HN 1.078 nan 8.270 nan 0.000 0.517 338 N N -2.717 116.024 118.700 0.069 0.000 3.373 338 N HA 0.012 4.751 4.740 -0.001 0.000 0.275 338 N C 0.018 175.606 175.510 0.131 0.000 1.489 338 N CA 0.070 53.174 53.050 0.091 0.000 0.872 338 N CB -0.066 38.475 38.487 0.090 0.000 1.555 338 N HN -0.168 nan 8.380 nan 0.000 0.500 339 T N -3.812 110.787 114.554 0.075 0.000 3.107 339 T HA 0.183 4.532 4.350 -0.001 0.000 0.249 339 T C 0.500 175.144 174.700 -0.094 0.000 1.096 339 T CA 0.465 62.600 62.100 0.059 0.000 1.012 339 T CB -0.741 68.097 68.868 -0.051 0.000 0.977 339 T HN 0.731 nan 8.240 nan 0.000 0.527 340 N N 1.111 119.733 118.700 -0.129 0.000 2.725 340 N HA -0.191 4.548 4.740 -0.001 0.000 0.249 340 N C 1.055 176.474 175.510 -0.150 0.000 1.103 340 N CA 1.376 54.272 53.050 -0.258 0.000 0.707 340 N CB -1.603 36.417 38.487 -0.779 0.000 1.043 340 N HN 1.094 nan 8.380 nan 0.000 0.553 341 G N -2.998 105.756 108.800 -0.077 0.000 2.179 341 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 341 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 341 G C 0.116 174.989 174.900 -0.045 0.000 0.977 341 G CA 0.315 45.403 45.100 -0.020 0.000 0.641 341 G HN 0.715 nan 8.290 nan 0.000 0.533 342 V N 0.494 120.346 119.914 -0.103 0.000 2.686 342 V HA 0.551 4.671 4.120 -0.001 0.000 0.295 342 V C 0.193 176.184 176.094 -0.172 0.000 1.055 342 V CA -0.133 62.146 62.300 -0.034 0.000 1.050 342 V CB 0.795 32.614 31.823 -0.006 0.000 0.984 342 V HN 0.242 nan 8.190 nan 0.000 0.482 343 Y N 2.127 122.526 120.300 0.166 0.000 2.409 343 Y HA 0.635 5.185 4.550 -0.001 0.000 0.343 343 Y C -0.109 175.922 175.900 0.218 0.000 0.973 343 Y CA -0.862 57.371 58.100 0.222 0.000 1.064 343 Y CB 2.210 40.783 38.460 0.189 0.000 1.207 343 Y HN 0.321 nan 8.280 nan 0.000 0.452 344 V N 4.180 124.326 119.914 0.387 0.000 2.409 344 V HA 0.405 4.524 4.120 -0.001 0.000 0.291 344 V C -0.809 175.459 176.094 0.290 0.000 1.020 344 V CA -0.892 61.556 62.300 0.247 0.000 0.848 344 V CB 1.575 33.520 31.823 0.202 0.000 0.990 344 V HN 0.529 nan 8.190 nan 0.000 0.430 345 V N 7.807 127.770 119.914 0.082 0.000 2.293 345 V HA 0.345 4.464 4.120 -0.001 0.000 0.275 345 V C -2.035 173.880 176.094 -0.299 0.000 1.021 345 V CA -1.446 60.831 62.300 -0.039 0.000 0.815 345 V CB 1.668 33.379 31.823 -0.187 0.000 1.025 345 V HN 0.769 nan 8.190 nan 0.000 0.448 346 P HA 0.281 nan 4.420 nan 0.000 0.209 346 P C 0.353 177.230 177.300 -0.704 0.000 1.843 346 P CA -0.168 62.415 63.100 -0.861 0.000 0.985 346 P CB 0.739 32.280 31.700 -0.265 0.000 1.904 347 A N 0.204 122.648 122.820 -0.626 0.000 2.648 347 A HA 0.196 4.515 4.320 -0.001 0.000 0.269 347 A C 1.145 178.563 177.584 -0.278 0.000 1.392 347 A CA -0.458 51.383 52.037 -0.326 0.000 1.019 347 A CB -1.540 17.311 19.000 -0.248 0.000 1.009 347 A HN 0.178 nan 8.150 nan 0.000 0.565 348 F N 0.401 120.267 119.950 -0.140 0.000 2.192 348 F HA -0.194 4.332 4.527 -0.001 0.000 0.301 348 F C 2.217 177.959 175.800 -0.097 0.000 1.079 348 F CA 1.769 59.656 58.000 -0.188 0.000 1.303 348 F CB -0.162 38.664 39.000 -0.290 0.000 1.024 348 F HN 0.409 nan 8.300 nan 0.000 0.494 349 T N -2.327 112.302 114.554 0.125 0.000 3.296 349 T HA 0.635 4.985 4.350 -0.001 0.000 0.285 349 T C 0.431 175.210 174.700 0.130 0.000 1.014 349 T CA -0.054 62.092 62.100 0.077 0.000 0.920 349 T CB 0.063 68.922 68.868 -0.015 0.000 1.143 349 T HN 0.550 nan 8.240 nan 0.000 0.522 350 G N 1.370 110.235 108.800 0.109 0.000 2.610 350 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.304 350 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.304 350 G C -1.226 173.728 174.900 0.090 0.000 1.309 350 G CA -0.916 44.247 45.100 0.104 0.000 0.906 350 G HN 0.577 nan 8.290 nan 0.000 0.521 351 L N 1.186 122.395 121.223 -0.023 0.000 2.322 351 L HA 0.677 5.016 4.340 -0.001 0.000 0.281 351 L C 1.421 177.915 176.870 -0.625 0.000 1.014 351 L CA -0.197 54.488 54.840 -0.259 0.000 0.815 351 L CB 1.581 43.567 42.059 -0.122 0.000 1.247 351 L HN 1.077 nan 8.230 nan 0.000 0.421 352 G N 1.463 109.409 108.800 -1.423 0.000 2.546 352 G HA2 0.531 4.491 3.960 -0.001 0.000 0.239 352 G HA3 0.531 4.491 3.960 -0.001 0.000 0.239 352 G C -0.090 173.860 174.900 -1.584 0.000 1.476 352 G CA -0.165 43.663 45.100 -2.120 0.000 1.064 352 G HN 0.739 nan 8.290 nan 0.000 0.561 353 A N 0.458 122.340 122.820 -1.563 0.000 2.531 353 A HA 0.441 4.760 4.320 -0.001 0.000 0.236 353 A C -1.174 176.033 177.584 -0.627 0.000 1.062 353 A CA -0.396 51.140 52.037 -0.836 0.000 0.760 353 A CB 0.296 19.211 19.000 -0.140 0.000 0.995 353 A HN 0.418 nan 8.150 nan 0.000 0.501 354 P HA 0.116 nan 4.420 nan 0.000 0.266 354 P C -0.141 176.955 177.300 -0.340 0.000 1.381 354 P CA 0.468 63.342 63.100 -0.377 0.000 0.940 354 P CB 0.077 31.585 31.700 -0.320 0.000 1.435 355 Y N -1.652 118.539 120.300 -0.181 0.000 2.266 355 Y HA 0.154 4.704 4.550 -0.001 0.000 0.294 355 Y C 0.742 176.689 175.900 0.079 0.000 1.127 355 Y CA 0.033 58.097 58.100 -0.059 0.000 1.140 355 Y CB -1.088 37.295 38.460 -0.128 0.000 1.071 355 Y HN -0.126 nan 8.280 nan 0.000 0.525 356 W N 1.615 123.002 121.300 0.144 0.000 5.721 356 W HA -0.210 4.449 4.660 -0.001 0.000 0.406 356 W C -0.630 175.974 176.519 0.143 0.000 1.576 356 W CA 0.397 57.821 57.345 0.132 0.000 0.977 356 W CB -1.272 28.280 29.460 0.154 0.000 2.771 356 W HN 0.073 nan 8.180 nan 0.000 1.435 357 D N 0.959 121.491 120.400 0.220 0.000 2.473 357 D HA 0.273 4.912 4.640 -0.001 0.000 0.226 357 D C -0.875 175.473 176.300 0.080 0.000 1.089 357 D CA -2.314 51.790 54.000 0.173 0.000 0.883 357 D CB 1.144 42.021 40.800 0.129 0.000 1.029 357 D HN -0.075 nan 8.370 nan 0.000 0.517 358 P HA -0.040 nan 4.420 nan 0.000 0.245 358 P C 0.344 177.440 177.300 -0.339 0.000 1.212 358 P CA 0.356 63.357 63.100 -0.165 0.000 0.774 358 P CB 0.007 31.549 31.700 -0.264 0.000 0.999 359 Y N -0.082 120.205 120.300 -0.022 0.000 2.462 359 Y HA 0.389 4.939 4.550 -0.001 0.000 0.261 359 Y C 1.670 177.575 175.900 0.008 0.000 1.146 359 Y CA -0.617 57.405 58.100 -0.130 0.000 1.283 359 Y CB -0.637 37.482 38.460 -0.569 0.000 1.090 359 Y HN -0.092 nan 8.280 nan 0.000 0.526 360 A N 1.062 123.954 122.820 0.119 0.000 2.386 360 A HA 0.587 4.906 4.320 -0.001 0.000 0.248 360 A C 0.264 177.885 177.584 0.061 0.000 1.082 360 A CA -0.208 51.882 52.037 0.088 0.000 0.789 360 A CB 0.405 19.390 19.000 -0.024 0.000 1.025 360 A HN 0.126 nan 8.150 nan 0.000 0.490 361 R N -0.244 120.252 120.500 -0.007 0.000 2.836 361 R HA 0.529 4.869 4.340 -0.001 0.000 0.269 361 R C 0.259 176.370 176.300 -0.315 0.000 1.010 361 R CA -0.276 55.751 56.100 -0.121 0.000 0.930 361 R CB 1.308 31.551 30.300 -0.096 0.000 1.218 361 R HN 0.985 nan 8.270 nan 0.000 0.473 362 G N 0.055 108.609 108.800 -0.409 0.000 2.432 362 G HA2 0.457 4.416 3.960 -0.001 0.000 0.239 362 G HA3 0.457 4.416 3.960 -0.001 0.000 0.239 362 G C -0.775 173.823 174.900 -0.504 0.000 1.291 362 G CA 0.325 45.047 45.100 -0.630 0.000 0.863 362 G HN 0.598 nan 8.290 nan 0.000 0.560 363 A N 1.349 123.890 122.820 -0.466 0.000 2.594 363 A HA 0.729 5.049 4.320 -0.001 0.000 0.295 363 A C -0.899 176.401 177.584 -0.475 0.000 1.071 363 A CA -0.648 51.074 52.037 -0.525 0.000 0.685 363 A CB 1.277 19.921 19.000 -0.594 0.000 1.285 363 A HN 0.695 nan 8.150 nan 0.000 0.405 364 I N 1.095 121.291 120.570 -0.623 0.000 2.465 364 I HA 0.575 4.745 4.170 -0.001 0.000 0.291 364 I C -1.240 174.464 176.117 -0.687 0.000 1.014 364 I CA -0.271 60.792 61.300 -0.394 0.000 1.093 364 I CB 1.667 39.570 38.000 -0.161 0.000 1.267 364 I HN 0.592 nan 8.210 nan 0.000 0.431 365 F N 1.769 121.723 119.950 0.007 0.000 2.618 365 F HA 0.664 5.190 4.527 -0.001 0.000 0.332 365 F C 1.138 176.973 175.800 0.059 0.000 1.061 365 F CA -0.735 57.273 58.000 0.013 0.000 0.974 365 F CB 1.697 40.689 39.000 -0.014 0.000 1.310 365 F HN 0.614 nan 8.300 nan 0.000 0.491 366 G N 1.144 110.097 108.800 0.255 0.000 2.176 366 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 366 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 366 G C -0.392 174.551 174.900 0.073 0.000 1.024 366 G CA -0.423 44.774 45.100 0.161 0.000 0.755 366 G HN 0.506 nan 8.290 nan 0.000 0.507 367 L N 1.127 122.377 121.223 0.045 0.000 2.416 367 L HA 0.577 4.916 4.340 -0.001 0.000 0.272 367 L C 1.243 178.117 176.870 0.006 0.000 1.161 367 L CA 0.560 55.406 54.840 0.009 0.000 0.845 367 L CB 0.851 42.908 42.059 -0.005 0.000 1.119 367 L HN 0.478 nan 8.230 nan 0.000 0.464 368 T N -1.211 113.337 114.554 -0.010 0.000 2.804 368 T HA 0.401 4.750 4.350 -0.001 0.000 0.290 368 T C 0.758 175.452 174.700 -0.010 0.000 1.099 368 T CA -0.966 61.129 62.100 -0.009 0.000 1.011 368 T CB 1.474 70.333 68.868 -0.014 0.000 1.291 368 T HN 0.442 nan 8.240 nan 0.000 0.523 369 R N -0.289 120.208 120.500 -0.004 0.000 2.189 369 R HA 0.151 4.490 4.340 -0.001 0.000 0.218 369 R C 2.130 178.434 176.300 0.007 0.000 1.074 369 R CA 1.008 57.108 56.100 0.001 0.000 0.991 369 R CB -0.429 29.873 30.300 0.004 0.000 0.883 369 R HN 0.815 nan 8.270 nan 0.000 0.457 370 G N 0.335 109.135 108.800 -0.000 0.000 3.088 370 G HA2 0.093 4.053 3.960 -0.001 0.000 0.212 370 G HA3 0.093 4.053 3.960 -0.001 0.000 0.212 370 G C 0.197 175.117 174.900 0.034 0.000 1.173 370 G CA -0.223 44.886 45.100 0.016 0.000 0.779 370 G HN -0.034 nan 8.290 nan 0.000 0.540 371 V N 1.786 121.705 119.914 0.009 0.000 2.546 371 V HA 0.330 4.449 4.120 -0.001 0.000 0.284 371 V C 0.044 176.244 176.094 0.177 0.000 1.050 371 V CA -0.709 61.620 62.300 0.049 0.000 0.981 371 V CB 1.002 32.813 31.823 -0.020 0.000 0.990 371 V HN 0.612 nan 8.190 nan 0.000 0.474 372 N N 3.725 122.652 118.700 0.378 0.000 2.701 372 N HA 0.609 5.349 4.740 -0.001 0.000 0.290 372 N C 0.720 176.246 175.510 0.026 0.000 1.338 372 N CA -0.234 52.883 53.050 0.111 0.000 0.799 372 N CB 1.362 39.857 38.487 0.013 0.000 1.491 372 N HN 0.460 nan 8.380 nan 0.000 0.540 373 A N -0.275 122.507 122.820 -0.063 0.000 2.032 373 A HA -0.219 4.101 4.320 -0.001 0.000 0.221 373 A C 1.416 178.922 177.584 -0.130 0.000 1.165 373 A CA 1.540 53.511 52.037 -0.110 0.000 0.645 373 A CB -0.950 17.936 19.000 -0.190 0.000 0.807 373 A HN 0.693 nan 8.150 nan 0.000 0.453 374 N N -1.044 117.546 118.700 -0.184 0.000 2.376 374 N HA -0.041 4.698 4.740 -0.001 0.000 0.177 374 N C 1.353 176.755 175.510 -0.181 0.000 1.024 374 N CA 1.209 54.133 53.050 -0.210 0.000 0.893 374 N CB -0.460 37.861 38.487 -0.276 0.000 0.980 374 N HN 0.780 nan 8.380 nan 0.000 0.439 375 H N -0.011 119.022 119.070 -0.061 0.000 2.436 375 H HA 0.202 4.758 4.556 -0.001 0.000 0.294 375 H C 1.896 177.203 175.328 -0.035 0.000 1.048 375 H CA 0.675 56.691 56.048 -0.053 0.000 1.353 375 H CB 0.356 30.096 29.762 -0.038 0.000 1.414 375 H HN 0.097 nan 8.280 nan 0.000 0.536 376 I N 0.014 120.645 120.570 0.102 0.000 2.333 376 I HA -0.180 3.989 4.170 -0.001 0.000 0.246 376 I C 1.759 177.921 176.117 0.076 0.000 1.106 376 I CA 0.841 62.193 61.300 0.086 0.000 1.411 376 I CB -0.019 38.026 38.000 0.074 0.000 1.082 376 I HN 0.219 nan 8.210 nan 0.000 0.420 377 I N 0.567 121.154 120.570 0.028 0.000 2.163 377 I HA -0.323 3.846 4.170 -0.001 0.000 0.243 377 I C 2.767 178.903 176.117 0.033 0.000 1.085 377 I CA 1.432 62.752 61.300 0.034 0.000 1.347 377 I CB -0.362 37.639 38.000 0.002 0.000 1.044 377 I HN 0.150 nan 8.210 nan 0.000 0.408 378 R N 0.982 121.467 120.500 -0.025 0.000 2.081 378 R HA -0.178 4.161 4.340 -0.001 0.000 0.235 378 R C 2.335 178.646 176.300 0.018 0.000 1.131 378 R CA 1.584 57.642 56.100 -0.069 0.000 0.960 378 R CB -0.283 29.924 30.300 -0.153 0.000 0.856 378 R HN 0.368 nan 8.270 nan 0.000 0.436 379 A N -0.277 122.566 122.820 0.040 0.000 1.972 379 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 379 A C 2.073 179.742 177.584 0.141 0.000 1.169 379 A CA 1.915 53.995 52.037 0.073 0.000 0.635 379 A CB -0.607 18.444 19.000 0.085 0.000 0.810 379 A HN 0.443 nan 8.150 nan 0.000 0.446 380 T N 0.128 114.769 114.554 0.145 0.000 2.812 380 T HA 0.013 4.363 4.350 -0.001 0.000 0.264 380 T C 1.800 176.599 174.700 0.165 0.000 1.042 380 T CA 1.186 63.397 62.100 0.186 0.000 1.140 380 T CB -0.280 68.715 68.868 0.211 0.000 0.870 380 T HN 0.363 nan 8.240 nan 0.000 0.445 381 L N 0.762 122.069 121.223 0.139 0.000 2.017 381 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 381 L C 2.702 179.602 176.870 0.051 0.000 1.073 381 L CA 1.422 56.344 54.840 0.135 0.000 0.745 381 L CB -0.505 41.687 42.059 0.220 0.000 0.894 381 L HN 0.309 nan 8.230 nan 0.000 0.432 382 E N -0.210 119.964 120.200 -0.044 0.000 2.204 382 E HA -0.209 4.140 4.350 -0.001 0.000 0.195 382 E C 2.241 178.821 176.600 -0.034 0.000 0.990 382 E CA 1.422 57.643 56.400 -0.299 0.000 0.821 382 E CB -0.076 29.289 29.700 -0.559 0.000 0.750 382 E HN 0.543 nan 8.360 nan 0.000 0.477 383 S N 0.725 116.498 115.700 0.122 0.000 2.419 383 S HA -0.127 4.343 4.470 -0.001 0.000 0.233 383 S C 1.980 176.554 174.600 -0.043 0.000 1.016 383 S CA 0.619 58.868 58.200 0.083 0.000 0.974 383 S CB -0.379 62.990 63.200 0.283 0.000 0.786 383 S HN 0.198 nan 8.310 nan 0.000 0.492 384 I N 1.889 122.481 120.570 0.036 0.000 2.252 384 I HA -0.088 4.081 4.170 -0.001 0.000 0.245 384 I C 3.037 179.167 176.117 0.022 0.000 1.102 384 I CA 1.122 62.459 61.300 0.061 0.000 1.385 384 I CB -0.591 37.497 38.000 0.146 0.000 1.064 384 I HN 0.444 nan 8.210 nan 0.000 0.414 385 A N 0.025 122.838 122.820 -0.012 0.000 1.929 385 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 385 A C 2.116 179.591 177.584 -0.181 0.000 1.176 385 A CA 1.267 53.266 52.037 -0.064 0.000 0.628 385 A CB -0.753 18.251 19.000 0.007 0.000 0.816 385 A HN 0.326 nan 8.150 nan 0.000 0.444 386 Y N 0.490 120.622 120.300 -0.279 0.000 2.200 386 Y HA -0.178 4.372 4.550 -0.000 0.000 0.290 386 Y C 2.733 178.313 175.900 -0.533 0.000 1.137 386 Y CA 1.645 59.369 58.100 -0.627 0.000 1.163 386 Y CB -0.598 36.925 38.460 -1.560 0.000 0.988 386 Y HN 0.443 nan 8.280 nan 0.000 0.518 387 Q N -1.162 118.474 119.800 -0.273 0.000 2.167 387 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 387 Q C 2.084 178.067 176.000 -0.028 0.000 0.970 387 Q CA 1.812 57.623 55.803 0.014 0.000 0.855 387 Q CB -0.448 28.328 28.738 0.064 0.000 0.911 387 Q HN 0.377 nan 8.270 nan 0.000 0.438 388 T N 1.007 115.514 114.554 -0.078 0.000 2.684 388 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 388 T C 1.729 176.385 174.700 -0.074 0.000 1.036 388 T CA 1.570 63.614 62.100 -0.092 0.000 1.148 388 T CB -0.202 68.617 68.868 -0.082 0.000 0.863 388 T HN 0.281 nan 8.240 nan 0.000 0.436 389 R N 0.745 121.195 120.500 -0.085 0.000 2.096 389 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 389 R C 1.930 178.243 176.300 0.022 0.000 1.127 389 R CA 1.690 57.719 56.100 -0.118 0.000 0.968 389 R CB -0.237 29.856 30.300 -0.345 0.000 0.861 389 R HN 0.280 nan 8.270 nan 0.000 0.440 390 D N -0.215 120.281 120.400 0.159 0.000 2.104 390 D HA -0.156 4.483 4.640 -0.001 0.000 0.194 390 D C 1.879 178.189 176.300 0.016 0.000 0.994 390 D CA 1.391 55.504 54.000 0.187 0.000 0.830 390 D CB -0.203 40.708 40.800 0.184 0.000 0.959 390 D HN 0.098 nan 8.370 nan 0.000 0.452 391 V N 0.972 120.866 119.914 -0.033 0.000 2.307 391 V HA -0.167 3.952 4.120 -0.001 0.000 0.245 391 V C 2.543 178.620 176.094 -0.027 0.000 1.045 391 V CA 1.078 63.345 62.300 -0.056 0.000 1.024 391 V CB -0.451 31.324 31.823 -0.080 0.000 0.651 391 V HN 0.173 nan 8.190 nan 0.000 0.449 392 L N -0.209 120.994 121.223 -0.033 0.000 2.046 392 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 392 L C 2.532 179.391 176.870 -0.020 0.000 1.077 392 L CA 1.880 56.700 54.840 -0.034 0.000 0.747 392 L CB -0.325 41.700 42.059 -0.056 0.000 0.896 392 L HN 0.364 nan 8.230 nan 0.000 0.432 393 E N -0.070 120.128 120.200 -0.002 0.000 2.072 393 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 393 E C 2.185 178.798 176.600 0.022 0.000 0.985 393 E CA 1.058 57.470 56.400 0.020 0.000 0.801 393 E CB -0.219 29.524 29.700 0.072 0.000 0.750 393 E HN 0.694 nan 8.360 nan 0.000 0.452 394 A N 0.948 123.778 122.820 0.017 0.000 1.969 394 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 394 A C 2.056 179.651 177.584 0.019 0.000 1.169 394 A CA 1.109 53.156 52.037 0.015 0.000 0.635 394 A CB -0.343 18.655 19.000 -0.003 0.000 0.810 394 A HN 0.202 nan 8.150 nan 0.000 0.445 395 M N -1.213 118.394 119.600 0.012 0.000 2.236 395 M HA -0.129 4.350 4.480 -0.001 0.000 0.266 395 M C 2.350 178.654 176.300 0.007 0.000 1.070 395 M CA 1.703 57.012 55.300 0.015 0.000 1.137 395 M CB -0.092 32.515 32.600 0.012 0.000 1.378 395 M HN 0.633 nan 8.290 nan 0.000 0.426 396 Q N 0.006 119.805 119.800 -0.002 0.000 2.050 396 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 396 Q C 1.846 177.848 176.000 0.002 0.000 0.980 396 Q CA 2.050 57.848 55.803 -0.008 0.000 0.840 396 Q CB -0.156 28.573 28.738 -0.014 0.000 0.898 396 Q HN 0.620 nan 8.270 nan 0.000 0.424 397 A N 0.842 123.669 122.820 0.011 0.000 1.877 397 A HA -0.215 4.105 4.320 -0.001 0.000 0.216 397 A C 1.748 179.342 177.584 0.015 0.000 1.186 397 A CA 1.808 53.855 52.037 0.016 0.000 0.620 397 A CB -0.664 18.350 19.000 0.024 0.000 0.822 397 A HN 0.460 nan 8.150 nan 0.000 0.443 398 D N -0.228 120.183 120.400 0.018 0.000 2.144 398 D HA -0.102 4.538 4.640 -0.001 0.000 0.200 398 D C 2.390 178.698 176.300 0.012 0.000 0.978 398 D CA 1.897 55.908 54.000 0.018 0.000 0.833 398 D CB -0.137 40.678 40.800 0.026 0.000 0.961 398 D HN 0.593 nan 8.370 nan 0.000 0.470 399 S N -1.677 114.029 115.700 0.010 0.000 2.497 399 S HA 0.286 4.755 4.470 -0.001 0.000 0.218 399 S C 1.800 176.401 174.600 0.002 0.000 1.023 399 S CA 0.742 58.946 58.200 0.007 0.000 0.913 399 S CB 0.897 64.101 63.200 0.007 0.000 0.800 399 S HN 0.268 nan 8.310 nan 0.000 0.505 400 G N 1.202 110.002 108.800 -0.000 0.000 2.159 400 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.256 400 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.256 400 G C -0.077 174.817 174.900 -0.010 0.000 0.977 400 G CA 0.339 45.438 45.100 -0.001 0.000 0.652 400 G HN 0.599 nan 8.290 nan 0.000 0.531 401 I N 0.602 121.161 120.570 -0.020 0.000 2.355 401 I HA 0.469 4.638 4.170 -0.001 0.000 0.288 401 I C 0.468 176.542 176.117 -0.072 0.000 0.999 401 I CA -1.134 60.141 61.300 -0.042 0.000 1.163 401 I CB 1.535 39.512 38.000 -0.037 0.000 1.316 401 I HN 0.101 nan 8.210 nan 0.000 0.454 402 R N 7.047 127.483 120.500 -0.107 0.000 2.308 402 R HA 0.523 4.862 4.340 -0.001 0.000 0.305 402 R C -1.266 174.837 176.300 -0.328 0.000 1.053 402 R CA -0.128 55.878 56.100 -0.157 0.000 0.957 402 R CB 0.554 30.790 30.300 -0.107 0.000 1.022 402 R HN 0.594 nan 8.270 nan 0.000 0.461 403 L N 4.846 125.916 121.223 -0.256 0.000 2.350 403 L HA 0.287 4.626 4.340 -0.001 0.000 0.275 403 L C 0.677 177.365 176.870 -0.304 0.000 1.099 403 L CA -0.365 54.309 54.840 -0.277 0.000 0.808 403 L CB 1.299 43.286 42.059 -0.120 0.000 1.149 403 L HN 0.891 nan 8.230 nan 0.000 0.442 404 H N 1.072 120.139 119.070 -0.005 0.000 2.582 404 H HA 0.419 4.975 4.556 -0.001 0.000 0.269 404 H C 0.206 175.530 175.328 -0.008 0.000 0.962 404 H CA 0.270 56.314 56.048 -0.007 0.000 1.230 404 H CB 0.776 30.535 29.762 -0.005 0.000 1.445 404 H HN 0.683 nan 8.280 nan 0.000 0.528 405 A N 0.720 123.586 122.820 0.076 0.000 2.587 405 A HA 0.501 4.820 4.320 -0.001 0.000 0.293 405 A C -1.995 175.603 177.584 0.023 0.000 1.087 405 A CA -0.694 51.371 52.037 0.047 0.000 0.692 405 A CB 1.314 20.347 19.000 0.056 0.000 1.291 405 A HN 0.101 nan 8.150 nan 0.000 0.407 406 L N 0.916 122.153 121.223 0.024 0.000 2.280 406 L HA 0.743 5.082 4.340 -0.001 0.000 0.287 406 L C 0.074 176.975 176.870 0.052 0.000 1.023 406 L CA -0.387 54.470 54.840 0.028 0.000 0.819 406 L CB 1.097 43.168 42.059 0.020 0.000 1.212 406 L HN 0.730 nan 8.230 nan 0.000 0.420 407 R N 4.241 124.773 120.500 0.053 0.000 2.298 407 R HA 0.622 4.962 4.340 -0.001 0.000 0.310 407 R C -1.147 175.211 176.300 0.095 0.000 1.068 407 R CA -0.214 55.925 56.100 0.066 0.000 0.957 407 R CB 0.663 30.993 30.300 0.051 0.000 1.003 407 R HN 0.529 nan 8.270 nan 0.000 0.454 408 V N 0.834 120.818 119.914 0.117 0.000 2.960 408 V HA 0.869 4.988 4.120 -0.001 0.000 0.315 408 V C -0.937 175.247 176.094 0.151 0.000 1.087 408 V CA -0.712 61.695 62.300 0.180 0.000 0.982 408 V CB 2.119 34.074 31.823 0.221 0.000 1.039 408 V HN 0.990 nan 8.190 nan 0.000 0.437 409 D N 0.075 120.595 120.400 0.200 0.000 2.643 409 D HA 0.811 5.450 4.640 -0.001 0.000 0.283 409 D C -0.074 176.351 176.300 0.209 0.000 1.242 409 D CA -0.036 54.058 54.000 0.157 0.000 0.863 409 D CB 1.357 42.222 40.800 0.108 0.000 1.382 409 D HN 1.923 nan 8.370 nan 0.000 0.444 410 G N -1.948 106.944 108.800 0.153 0.000 2.619 410 G HA2 0.350 4.309 3.960 -0.001 0.000 0.686 410 G HA3 0.350 4.309 3.960 -0.001 0.000 0.686 410 G C 0.772 175.751 174.900 0.132 0.000 1.256 410 G CA 0.032 45.229 45.100 0.161 0.000 0.826 410 G HN 1.236 nan 8.290 nan 0.000 0.619 411 G N 0.219 109.091 108.800 0.121 0.000 2.513 411 G HA2 0.154 4.114 3.960 -0.001 0.000 0.219 411 G HA3 0.154 4.114 3.960 -0.001 0.000 0.219 411 G C 2.144 177.088 174.900 0.073 0.000 1.160 411 G CA 2.871 48.026 45.100 0.091 0.000 0.767 411 G HN 2.142 nan 8.290 nan 0.000 0.571 412 A N 0.440 123.315 122.820 0.092 0.000 2.125 412 A HA 0.123 4.442 4.320 -0.001 0.000 0.219 412 A C 2.518 180.052 177.584 -0.084 0.000 1.156 412 A CA 1.799 53.859 52.037 0.039 0.000 0.671 412 A CB -0.563 18.496 19.000 0.098 0.000 0.794 412 A HN 1.010 nan 8.150 nan 0.000 0.459 413 V N -3.182 116.678 119.914 -0.089 0.000 3.241 413 V HA 0.062 4.182 4.120 -0.001 0.000 0.269 413 V C 2.048 178.095 176.094 -0.078 0.000 1.151 413 V CA 1.471 63.667 62.300 -0.173 0.000 1.158 413 V CB -1.266 30.499 31.823 -0.098 0.000 0.764 413 V HN 0.459 nan 8.190 nan 0.000 0.508 414 A N 0.910 123.718 122.820 -0.020 0.000 2.067 414 A HA -0.007 4.312 4.320 -0.001 0.000 0.217 414 A C 1.532 179.131 177.584 0.025 0.000 1.156 414 A CA 0.887 52.939 52.037 0.025 0.000 0.683 414 A CB -0.671 18.350 19.000 0.036 0.000 0.808 414 A HN 0.593 nan 8.150 nan 0.000 0.455 415 N N 1.385 120.075 118.700 -0.017 0.000 2.421 415 N HA 0.009 4.749 4.740 -0.001 0.000 0.260 415 N C 0.043 175.524 175.510 -0.047 0.000 1.173 415 N CA -0.089 52.962 53.050 0.002 0.000 0.960 415 N CB -0.005 38.490 38.487 0.013 0.000 1.273 415 N HN 0.223 nan 8.380 nan 0.000 0.497 416 N N 2.384 121.110 118.700 0.043 0.000 2.289 416 N HA -0.171 4.568 4.740 -0.001 0.000 0.184 416 N C 1.241 176.747 175.510 -0.006 0.000 1.016 416 N CA 0.684 53.774 53.050 0.066 0.000 0.872 416 N CB -0.324 38.301 38.487 0.231 0.000 0.973 416 N HN 0.614 nan 8.380 nan 0.000 0.433 417 F N 1.388 121.310 119.950 -0.047 0.000 2.146 417 F HA -0.043 4.483 4.527 -0.002 0.000 0.298 417 F C 2.039 177.793 175.800 -0.076 0.000 1.096 417 F CA 0.659 58.639 58.000 -0.033 0.000 1.275 417 F CB -0.472 38.512 39.000 -0.026 0.000 1.008 417 F HN -0.049 nan 8.300 nan 0.000 0.480 418 L N 0.099 121.144 121.223 -0.296 0.000 2.093 418 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 418 L C 2.123 178.704 176.870 -0.482 0.000 1.085 418 L CA 1.637 56.234 54.840 -0.406 0.000 0.755 418 L CB -0.699 41.238 42.059 -0.203 0.000 0.904 418 L HN 0.147 nan 8.230 nan 0.000 0.435 419 M N -1.050 118.185 119.600 -0.608 0.000 2.132 419 M HA -0.161 4.319 4.480 -0.001 0.000 0.263 419 M C 2.316 178.110 176.300 -0.843 0.000 1.065 419 M CA 1.537 56.305 55.300 -0.886 0.000 1.122 419 M CB -1.147 30.554 32.600 -1.498 0.000 1.365 419 M HN 0.395 nan 8.290 nan 0.000 0.411 420 Q N 0.027 119.403 119.800 -0.706 0.000 2.079 420 Q HA -0.131 4.209 4.340 -0.001 0.000 0.200 420 Q C 1.890 177.722 176.000 -0.280 0.000 0.974 420 Q CA 1.564 57.198 55.803 -0.283 0.000 0.840 420 Q CB -0.580 28.138 28.738 -0.034 0.000 0.898 420 Q HN 0.408 nan 8.270 nan 0.000 0.430 421 F N 0.557 120.178 119.950 -0.547 0.000 2.216 421 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 421 F C 2.132 177.686 175.800 -0.411 0.000 1.085 421 F CA 1.724 59.404 58.000 -0.532 0.000 1.326 421 F CB -0.152 38.349 39.000 -0.831 0.000 1.027 421 F HN 0.223 nan 8.300 nan 0.000 0.497 422 Q N -0.124 119.420 119.800 -0.427 0.000 2.123 422 Q HA -0.142 4.198 4.340 -0.001 0.000 0.199 422 Q C 2.444 178.222 176.000 -0.370 0.000 0.966 422 Q CA 1.991 57.562 55.803 -0.387 0.000 0.845 422 Q CB -0.568 28.020 28.738 -0.250 0.000 0.907 422 Q HN 0.350 nan 8.270 nan 0.000 0.439 423 S N -0.297 115.222 115.700 -0.301 0.000 2.355 423 S HA -0.156 4.314 4.470 -0.001 0.000 0.222 423 S C 1.293 175.743 174.600 -0.249 0.000 1.031 423 S CA 1.459 59.543 58.200 -0.192 0.000 0.993 423 S CB -0.498 62.661 63.200 -0.069 0.000 0.859 423 S HN 0.501 nan 8.310 nan 0.000 0.453 424 D N 0.938 121.138 120.400 -0.332 0.000 2.092 424 D HA -0.084 4.555 4.640 -0.001 0.000 0.193 424 D C 1.749 177.799 176.300 -0.417 0.000 0.994 424 D CA 1.042 54.840 54.000 -0.336 0.000 0.828 424 D CB -0.432 40.151 40.800 -0.362 0.000 0.963 424 D HN 0.400 nan 8.370 nan 0.000 0.450 425 I N 0.127 120.280 120.570 -0.695 0.000 2.761 425 I HA -0.066 4.103 4.170 -0.001 0.000 0.261 425 I C 1.927 177.800 176.117 -0.408 0.000 1.198 425 I CA 0.672 61.606 61.300 -0.610 0.000 1.482 425 I CB 0.103 37.540 38.000 -0.940 0.000 1.100 425 I HN -0.028 nan 8.210 nan 0.000 0.445 426 L N -0.264 120.751 121.223 -0.348 0.000 2.298 426 L HA 0.247 4.586 4.340 -0.001 0.000 0.209 426 L C 1.557 178.323 176.870 -0.173 0.000 1.084 426 L CA 0.725 55.414 54.840 -0.253 0.000 0.816 426 L CB -0.547 41.394 42.059 -0.197 0.000 0.967 426 L HN 0.375 nan 8.230 nan 0.000 0.460 427 G N 1.049 109.754 108.800 -0.158 0.000 2.182 427 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.248 427 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.248 427 G C 0.055 174.918 174.900 -0.061 0.000 1.042 427 G CA 0.367 45.410 45.100 -0.095 0.000 0.775 427 G HN 0.306 nan 8.290 nan 0.000 0.501 428 T N -0.624 113.889 114.554 -0.069 0.000 2.916 428 T HA 0.572 4.921 4.350 -0.001 0.000 0.305 428 T C 0.274 174.964 174.700 -0.017 0.000 1.119 428 T CA -0.936 61.145 62.100 -0.032 0.000 1.008 428 T CB 1.496 70.343 68.868 -0.036 0.000 1.129 428 T HN 0.456 nan 8.240 nan 0.000 0.480 429 R N 1.039 121.546 120.500 0.012 0.000 2.522 429 R HA 0.392 4.731 4.340 -0.001 0.000 0.284 429 R C -0.639 175.688 176.300 0.045 0.000 1.032 429 R CA -0.174 55.946 56.100 0.035 0.000 1.049 429 R CB 0.210 30.531 30.300 0.036 0.000 0.956 429 R HN 0.278 nan 8.270 nan 0.000 0.422 430 V N 3.726 123.693 119.914 0.088 0.000 2.384 430 V HA 0.165 4.284 4.120 -0.001 0.000 0.287 430 V C -0.193 175.997 176.094 0.161 0.000 1.020 430 V CA -0.629 61.730 62.300 0.097 0.000 0.850 430 V CB 1.623 33.471 31.823 0.041 0.000 0.987 430 V HN 0.740 nan 8.190 nan 0.000 0.436 431 E N 4.446 124.712 120.200 0.111 0.000 2.113 431 E HA 0.465 4.815 4.350 -0.001 0.000 0.273 431 E C -0.392 176.274 176.600 0.109 0.000 0.924 431 E CA -0.582 55.879 56.400 0.101 0.000 0.764 431 E CB 1.964 31.701 29.700 0.061 0.000 1.104 431 E HN 0.493 nan 8.360 nan 0.000 0.406 432 R N 4.490 125.070 120.500 0.134 0.000 2.295 432 R HA 0.349 4.689 4.340 -0.001 0.000 0.324 432 R C -2.578 173.771 176.300 0.082 0.000 0.968 432 R CA -1.962 54.215 56.100 0.128 0.000 0.837 432 R CB 0.893 31.324 30.300 0.218 0.000 1.133 432 R HN 0.255 nan 8.270 nan 0.000 0.450 433 P HA 0.169 nan 4.420 nan 0.000 0.278 433 P C -0.384 176.945 177.300 0.048 0.000 1.258 433 P CA -0.368 62.762 63.100 0.050 0.000 0.811 433 P CB 1.017 32.745 31.700 0.047 0.000 1.063 434 E N -0.387 119.836 120.200 0.037 0.000 2.072 434 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 434 E C 0.087 176.711 176.600 0.039 0.000 0.985 434 E CA 1.054 57.475 56.400 0.036 0.000 0.801 434 E CB -0.118 29.599 29.700 0.029 0.000 0.750 434 E HN 0.170 nan 8.360 nan 0.000 0.452 435 V N 2.315 122.252 119.914 0.038 0.000 2.372 435 V HA 0.088 4.208 4.120 -0.001 0.000 0.261 435 V C 1.056 177.175 176.094 0.040 0.000 1.055 435 V CA 0.206 62.529 62.300 0.037 0.000 0.930 435 V CB 1.005 32.848 31.823 0.033 0.000 1.031 435 V HN 0.159 nan 8.190 nan 0.000 0.479 436 R N 2.070 122.597 120.500 0.046 0.000 2.193 436 R HA 0.061 4.400 4.340 -0.001 0.000 0.213 436 R C 0.290 176.625 176.300 0.058 0.000 1.055 436 R CA 0.511 56.644 56.100 0.056 0.000 0.995 436 R CB 0.361 30.697 30.300 0.059 0.000 0.893 436 R HN 0.597 nan 8.270 nan 0.000 0.459 437 E N 1.313 121.540 120.200 0.045 0.000 2.136 437 E HA 0.066 4.415 4.350 -0.001 0.000 0.246 437 E C 0.421 177.032 176.600 0.019 0.000 1.017 437 E CA -0.049 56.377 56.400 0.043 0.000 0.883 437 E CB 1.482 31.206 29.700 0.041 0.000 1.199 437 E HN -0.020 nan 8.360 nan 0.000 0.447 438 V N 1.274 121.201 119.914 0.021 0.000 3.052 438 V HA -0.149 3.971 4.120 -0.001 0.000 0.254 438 V C 2.070 178.148 176.094 -0.026 0.000 1.100 438 V CA 1.276 63.569 62.300 -0.011 0.000 1.112 438 V CB -0.207 31.625 31.823 0.015 0.000 0.738 438 V HN 0.477 nan 8.190 nan 0.000 0.469 439 T N 1.240 115.799 114.554 0.008 0.000 2.635 439 T HA -0.272 4.077 4.350 -0.001 0.000 0.267 439 T C 2.059 176.753 174.700 -0.010 0.000 1.040 439 T CA 2.085 64.192 62.100 0.011 0.000 1.156 439 T CB -0.387 68.496 68.868 0.026 0.000 0.863 439 T HN 0.580 nan 8.240 nan 0.000 0.430 440 A N 0.841 123.652 122.820 -0.014 0.000 2.014 440 A HA 0.112 4.431 4.320 -0.001 0.000 0.218 440 A C 2.305 179.842 177.584 -0.077 0.000 1.163 440 A CA 0.874 52.900 52.037 -0.018 0.000 0.652 440 A CB -0.676 18.326 19.000 0.003 0.000 0.808 440 A HN 0.495 nan 8.150 nan 0.000 0.449 441 L N -0.790 120.338 121.223 -0.160 0.000 2.046 441 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 441 L C 2.812 179.288 176.870 -0.656 0.000 1.077 441 L CA 1.194 55.769 54.840 -0.442 0.000 0.747 441 L CB -1.049 40.704 42.059 -0.510 0.000 0.896 441 L HN 0.476 nan 8.230 nan 0.000 0.432 442 G N -0.091 108.540 108.800 -0.282 0.000 2.418 442 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 442 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 442 G C 1.812 176.783 174.900 0.119 0.000 1.158 442 G CA 0.843 45.964 45.100 0.035 0.000 0.771 442 G HN 0.453 nan 8.290 nan 0.000 0.545 443 A N 1.188 124.028 122.820 0.034 0.000 1.908 443 A HA 0.206 4.526 4.320 -0.001 0.000 0.218 443 A C 2.817 180.472 177.584 0.119 0.000 1.181 443 A CA 2.404 54.477 52.037 0.060 0.000 0.627 443 A CB -0.800 18.225 19.000 0.040 0.000 0.818 443 A HN 0.801 nan 8.150 nan 0.000 0.445 444 A N -1.285 121.596 122.820 0.101 0.000 1.873 444 A HA -0.048 4.272 4.320 -0.001 0.000 0.215 444 A C 2.114 179.998 177.584 0.500 0.000 1.186 444 A CA 1.566 53.744 52.037 0.235 0.000 0.616 444 A CB -0.773 18.347 19.000 0.201 0.000 0.823 444 A HN 0.534 nan 8.150 nan 0.000 0.442 445 Y N 0.052 120.530 120.300 0.297 0.000 2.181 445 Y HA -0.117 4.432 4.550 -0.002 0.000 0.288 445 Y C 2.266 178.413 175.900 0.412 0.000 1.146 445 Y CA 0.591 58.873 58.100 0.303 0.000 1.164 445 Y CB -1.137 37.462 38.460 0.232 0.000 0.982 445 Y HN 0.189 nan 8.280 nan 0.000 0.515 446 L N -0.718 120.791 121.223 0.476 0.000 2.012 446 L HA -0.278 4.061 4.340 -0.001 0.000 0.210 446 L C 2.663 179.654 176.870 0.202 0.000 1.073 446 L CA 1.448 56.402 54.840 0.191 0.000 0.748 446 L CB -0.843 41.186 42.059 -0.049 0.000 0.891 446 L HN 0.180 nan 8.230 nan 0.000 0.431 447 A N -0.060 122.891 122.820 0.220 0.000 1.898 447 A HA -0.108 4.211 4.320 -0.001 0.000 0.216 447 A C 2.378 180.059 177.584 0.161 0.000 1.181 447 A CA 1.678 53.805 52.037 0.149 0.000 0.620 447 A CB -1.223 17.847 19.000 0.116 0.000 0.819 447 A HN 0.459 nan 8.150 nan 0.000 0.442 448 G N -0.352 108.637 108.800 0.315 0.000 2.408 448 G HA2 -0.101 3.859 3.960 -0.001 0.000 0.217 448 G HA3 -0.101 3.859 3.960 -0.001 0.000 0.217 448 G C 1.540 176.660 174.900 0.367 0.000 1.150 448 G CA 0.951 46.231 45.100 0.301 0.000 0.776 448 G HN 0.420 nan 8.290 nan 0.000 0.542 449 L N 0.636 122.116 121.223 0.428 0.000 2.093 449 L HA 0.024 4.363 4.340 -0.001 0.000 0.208 449 L C 3.286 180.265 176.870 0.183 0.000 1.085 449 L CA 0.848 55.882 54.840 0.323 0.000 0.755 449 L CB -0.258 41.981 42.059 0.301 0.000 0.904 449 L HN 0.286 nan 8.230 nan 0.000 0.435 450 A N -0.300 122.596 122.820 0.127 0.000 2.121 450 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 450 A C 1.907 179.504 177.584 0.022 0.000 1.154 450 A CA 1.668 53.725 52.037 0.034 0.000 0.679 450 A CB -0.436 18.536 19.000 -0.047 0.000 0.795 450 A HN 0.367 nan 8.150 nan 0.000 0.458 451 V N -5.672 114.275 119.914 0.055 0.000 3.477 451 V HA 0.594 4.713 4.120 -0.001 0.000 0.297 451 V C 1.128 177.261 176.094 0.066 0.000 1.433 451 V CA 0.559 62.880 62.300 0.035 0.000 1.052 451 V CB -0.492 31.335 31.823 0.006 0.000 0.895 451 V HN 1.378 nan 8.190 nan 0.000 0.438 452 G N 0.396 109.259 108.800 0.105 0.000 2.130 452 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.216 452 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.216 452 G C 0.243 175.205 174.900 0.104 0.000 0.999 452 G CA 0.403 45.562 45.100 0.098 0.000 0.686 452 G HN 0.590 nan 8.290 nan 0.000 0.515 453 F N 0.379 120.283 119.950 -0.077 0.000 2.206 453 F HA 0.373 4.899 4.527 -0.001 0.000 0.298 453 F C 1.037 176.647 175.800 -0.317 0.000 1.090 453 F CA 0.875 58.708 58.000 -0.278 0.000 1.323 453 F CB 0.155 38.852 39.000 -0.505 0.000 1.028 453 F HN 0.243 nan 8.300 nan 0.000 0.492 454 W N 0.049 121.465 121.300 0.193 0.000 2.761 454 W HA 0.312 4.971 4.660 -0.001 0.000 0.340 454 W C 0.731 177.283 176.519 0.054 0.000 1.072 454 W CA -0.562 56.815 57.345 0.053 0.000 1.215 454 W CB 1.221 30.669 29.460 -0.020 0.000 1.420 454 W HN -0.218 nan 8.180 nan 0.000 0.519 455 Q N 1.181 121.132 119.800 0.252 0.000 2.165 455 Q HA -0.031 4.309 4.340 -0.001 0.000 0.197 455 Q C 0.198 176.270 176.000 0.120 0.000 0.952 455 Q CA 1.384 57.272 55.803 0.142 0.000 0.848 455 Q CB 0.310 29.104 28.738 0.093 0.000 0.931 455 Q HN 0.635 nan 8.270 nan 0.000 0.470 456 N N -3.035 115.726 118.700 0.102 0.000 3.179 456 N HA 0.112 4.852 4.740 -0.001 0.000 0.250 456 N C -0.558 174.927 175.510 -0.041 0.000 1.507 456 N CA -0.586 52.494 53.050 0.051 0.000 0.883 456 N CB -0.006 38.497 38.487 0.026 0.000 1.435 456 N HN -0.107 nan 8.380 nan 0.000 0.532 457 L N 0.053 121.233 121.223 -0.072 0.000 2.376 457 L HA 0.139 4.478 4.340 -0.001 0.000 0.219 457 L C 0.542 177.272 176.870 -0.233 0.000 1.133 457 L CA 1.603 56.323 54.840 -0.199 0.000 0.816 457 L CB -0.843 41.111 42.059 -0.175 0.000 0.933 457 L HN 0.604 nan 8.230 nan 0.000 0.449 458 D N -0.533 119.782 120.400 -0.143 0.000 2.224 458 D HA -0.160 4.479 4.640 -0.001 0.000 0.205 458 D C 1.878 178.090 176.300 -0.147 0.000 0.965 458 D CA 0.789 54.714 54.000 -0.125 0.000 0.852 458 D CB 0.012 40.770 40.800 -0.070 0.000 0.947 458 D HN 0.478 nan 8.370 nan 0.000 0.494 459 E N 0.268 120.371 120.200 -0.163 0.000 2.118 459 E HA -0.111 4.238 4.350 -0.001 0.000 0.195 459 E C 1.953 178.379 176.600 -0.289 0.000 0.992 459 E CA 0.593 56.888 56.400 -0.176 0.000 0.804 459 E CB -0.048 29.559 29.700 -0.154 0.000 0.741 459 E HN 0.330 nan 8.360 nan 0.000 0.458 460 L N 0.653 121.614 121.223 -0.436 0.000 2.509 460 L HA -0.037 4.303 4.340 -0.001 0.000 0.222 460 L C 2.385 179.057 176.870 -0.330 0.000 1.123 460 L CA 0.124 54.627 54.840 -0.562 0.000 0.856 460 L CB -0.038 41.397 42.059 -1.040 0.000 0.985 460 L HN -0.001 nan 8.230 nan 0.000 0.456 461 Q N 0.773 120.425 119.800 -0.247 0.000 2.291 461 Q HA -0.173 4.166 4.340 -0.001 0.000 0.206 461 Q C 1.411 177.345 176.000 -0.111 0.000 0.976 461 Q CA 1.235 56.942 55.803 -0.159 0.000 0.875 461 Q CB 0.143 28.804 28.738 -0.127 0.000 0.927 461 Q HN 0.550 nan 8.270 nan 0.000 0.450 462 E N -0.568 119.565 120.200 -0.111 0.000 2.479 462 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 462 E C 1.105 177.671 176.600 -0.057 0.000 1.049 462 E CA -0.002 56.357 56.400 -0.069 0.000 0.870 462 E CB 0.430 30.096 29.700 -0.057 0.000 0.944 462 E HN 0.106 nan 8.360 nan 0.000 0.492 463 K N 0.639 120.994 120.400 -0.075 0.000 2.323 463 K HA 0.152 4.472 4.320 -0.001 0.000 0.197 463 K C 0.898 177.494 176.600 -0.005 0.000 1.043 463 K CA 0.033 56.297 56.287 -0.038 0.000 0.997 463 K CB 0.050 32.521 32.500 -0.049 0.000 0.807 463 K HN -0.012 nan 8.250 nan 0.000 0.497 464 A N 1.838 124.648 122.820 -0.016 0.000 2.548 464 A HA 0.260 4.579 4.320 -0.001 0.000 0.247 464 A C -0.089 177.495 177.584 0.001 0.000 1.067 464 A CA 0.110 52.146 52.037 -0.001 0.000 0.757 464 A CB 0.096 19.087 19.000 -0.015 0.000 0.996 464 A HN -0.032 nan 8.150 nan 0.000 0.504 465 V N 4.915 124.836 119.914 0.012 0.000 2.623 465 V HA 0.261 4.381 4.120 -0.001 0.000 0.304 465 V C -0.480 175.623 176.094 0.014 0.000 1.054 465 V CA -0.692 61.614 62.300 0.010 0.000 0.882 465 V CB 1.677 33.508 31.823 0.013 0.000 1.002 465 V HN 0.729 nan 8.190 nan 0.000 0.424 466 I N 3.653 124.229 120.570 0.009 0.000 2.371 466 I HA 0.284 4.453 4.170 -0.001 0.000 0.290 466 I C 1.379 177.498 176.117 0.002 0.000 1.028 466 I CA 0.424 61.730 61.300 0.011 0.000 1.345 466 I CB 1.329 39.332 38.000 0.005 0.000 1.407 466 I HN 0.866 nan 8.210 nan 0.000 0.501 467 E N 6.613 126.818 120.200 0.009 0.000 2.075 467 E HA 0.005 4.355 4.350 -0.001 0.000 0.190 467 E C 0.480 177.058 176.600 -0.037 0.000 0.969 467 E CA 0.567 56.966 56.400 -0.001 0.000 0.815 467 E CB 0.728 30.439 29.700 0.019 0.000 0.776 467 E HN 0.591 nan 8.360 nan 0.000 0.457 468 R N 0.043 120.515 120.500 -0.046 0.000 2.626 468 R HA 0.224 4.563 4.340 -0.001 0.000 0.274 468 R C -1.708 174.510 176.300 -0.137 0.000 1.031 468 R CA -0.440 55.563 56.100 -0.162 0.000 0.898 468 R CB 1.814 31.930 30.300 -0.306 0.000 1.222 468 R HN -0.068 nan 8.270 nan 0.000 0.455 469 E N 3.912 123.989 120.200 -0.206 0.000 2.182 469 E HA 0.274 4.623 4.350 -0.001 0.000 0.258 469 E C -1.348 175.135 176.600 -0.194 0.000 0.879 469 E CA -0.573 55.767 56.400 -0.099 0.000 0.754 469 E CB 0.766 30.436 29.700 -0.048 0.000 1.162 469 E HN 0.314 nan 8.360 nan 0.000 0.419 470 F N 2.716 122.646 119.950 -0.033 0.000 2.384 470 F HA 0.427 4.954 4.527 0.001 0.000 0.338 470 F C 0.897 176.669 175.800 -0.046 0.000 1.103 470 F CA -0.262 57.712 58.000 -0.043 0.000 1.157 470 F CB 0.993 39.955 39.000 -0.062 0.000 1.167 470 F HN 0.254 nan 8.300 nan 0.000 0.529 471 R N 2.631 123.194 120.500 0.105 0.000 2.807 471 R HA 0.448 4.788 4.340 -0.001 0.000 0.276 471 R C -2.686 173.633 176.300 0.031 0.000 0.979 471 R CA -2.145 53.982 56.100 0.044 0.000 0.928 471 R CB 1.836 32.140 30.300 0.007 0.000 1.191 471 R HN 0.254 nan 8.270 nan 0.000 0.471 472 P HA 0.036 nan 4.420 nan 0.000 0.267 472 P C -0.039 177.254 177.300 -0.012 0.000 1.209 472 P CA 0.192 63.274 63.100 -0.030 0.000 0.763 472 P CB 0.775 32.448 31.700 -0.045 0.000 0.816 473 G N 2.794 111.587 108.800 -0.012 0.000 3.324 473 G HA2 0.374 4.334 3.960 -0.001 0.000 0.251 473 G HA3 0.374 4.334 3.960 -0.001 0.000 0.251 473 G C 0.368 175.275 174.900 0.012 0.000 1.072 473 G CA -0.205 44.900 45.100 0.010 0.000 0.787 473 G HN 0.595 nan 8.290 nan 0.000 0.537 474 I N -3.433 117.133 120.570 -0.005 0.000 3.042 474 I HA 0.861 5.030 4.170 -0.001 0.000 0.310 474 I C -1.338 174.780 176.117 0.001 0.000 1.117 474 I CA -1.299 60.006 61.300 0.008 0.000 1.003 474 I CB 2.487 40.498 38.000 0.018 0.000 1.228 474 I HN -0.225 nan 8.210 nan 0.000 0.443 475 E N 1.222 121.432 120.200 0.017 0.000 2.250 475 E HA 0.368 4.717 4.350 -0.001 0.000 0.265 475 E C 0.596 177.212 176.600 0.027 0.000 1.033 475 E CA -0.365 56.045 56.400 0.017 0.000 0.888 475 E CB 1.889 31.601 29.700 0.020 0.000 1.151 475 E HN 0.690 nan 8.360 nan 0.000 0.412 476 T N 0.194 114.763 114.554 0.025 0.000 2.699 476 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 476 T C 1.393 176.133 174.700 0.066 0.000 1.036 476 T CA 2.136 64.258 62.100 0.036 0.000 1.147 476 T CB -0.185 68.702 68.868 0.031 0.000 0.862 476 T HN 0.495 nan 8.240 nan 0.000 0.446 477 T N 1.068 115.661 114.554 0.065 0.000 2.777 477 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 477 T C 1.879 176.659 174.700 0.133 0.000 1.040 477 T CA 1.304 63.456 62.100 0.086 0.000 1.141 477 T CB -0.195 68.705 68.868 0.054 0.000 0.868 477 T HN 0.533 nan 8.240 nan 0.000 0.444 478 E N 0.785 121.051 120.200 0.111 0.000 2.106 478 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 478 E C 2.390 179.129 176.600 0.233 0.000 0.984 478 E CA 0.698 57.190 56.400 0.154 0.000 0.806 478 E CB 0.019 29.782 29.700 0.104 0.000 0.750 478 E HN 0.345 nan 8.360 nan 0.000 0.458 479 R N 0.199 120.793 120.500 0.157 0.000 2.075 479 R HA -0.081 4.258 4.340 -0.001 0.000 0.232 479 R C 1.782 178.213 176.300 0.219 0.000 1.126 479 R CA 1.663 57.840 56.100 0.128 0.000 0.963 479 R CB -0.001 30.316 30.300 0.027 0.000 0.858 479 R HN 0.105 nan 8.270 nan 0.000 0.435 480 N N -0.497 118.331 118.700 0.214 0.000 2.416 480 N HA -0.123 4.616 4.740 -0.001 0.000 0.177 480 N C 1.179 176.850 175.510 0.268 0.000 1.036 480 N CA 0.664 53.857 53.050 0.238 0.000 0.901 480 N CB -0.130 38.461 38.487 0.172 0.000 0.976 480 N HN 0.304 nan 8.380 nan 0.000 0.444 481 Y N 2.021 122.424 120.300 0.171 0.000 2.220 481 Y HA 0.007 4.556 4.550 -0.001 0.000 0.291 481 Y C 2.160 178.201 175.900 0.235 0.000 1.129 481 Y CA 1.440 59.638 58.100 0.164 0.000 1.161 481 Y CB 0.105 38.646 38.460 0.135 0.000 0.997 481 Y HN -0.106 nan 8.280 nan 0.000 0.522 482 R N -1.293 119.449 120.500 0.404 0.000 2.115 482 R HA -0.196 4.143 4.340 -0.001 0.000 0.230 482 R C 1.920 178.518 176.300 0.497 0.000 1.111 482 R CA 1.539 57.933 56.100 0.490 0.000 0.976 482 R CB -0.703 29.964 30.300 0.611 0.000 0.870 482 R HN 0.428 nan 8.270 nan 0.000 0.445 483 Y N 1.162 121.631 120.300 0.283 0.000 2.365 483 Y HA 0.053 4.603 4.550 -0.001 0.000 0.293 483 Y C 2.208 178.153 175.900 0.074 0.000 1.119 483 Y CA 0.410 58.661 58.100 0.252 0.000 1.203 483 Y CB -0.259 38.341 38.460 0.233 0.000 1.026 483 Y HN -0.004 nan 8.280 nan 0.000 0.549 484 A N -0.007 122.800 122.820 -0.023 0.000 1.902 484 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 484 A C 2.511 179.880 177.584 -0.359 0.000 1.181 484 A CA 1.746 53.656 52.037 -0.211 0.000 0.623 484 A CB -1.588 17.308 19.000 -0.172 0.000 0.818 484 A HN 0.534 nan 8.150 nan 0.000 0.443 485 G N -1.234 107.342 108.800 -0.375 0.000 2.418 485 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 485 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 485 G C 1.527 175.743 174.900 -1.140 0.000 1.158 485 G CA 0.948 45.677 45.100 -0.618 0.000 0.771 485 G HN 0.724 nan 8.290 nan 0.000 0.545 486 W N 1.768 122.391 121.300 -1.128 0.000 2.355 486 W HA -0.074 4.586 4.660 0.000 0.000 0.309 486 W C 2.121 178.190 176.519 -0.750 0.000 1.206 486 W CA 1.540 58.242 57.345 -1.071 0.000 1.284 486 W CB -0.103 28.793 29.460 -0.941 0.000 1.145 486 W HN 0.215 nan 8.180 nan 0.000 0.502 487 K N 0.454 120.408 120.400 -0.743 0.000 2.211 487 K HA -0.193 4.127 4.320 -0.001 0.000 0.203 487 K C 2.105 178.294 176.600 -0.685 0.000 1.050 487 K CA 1.398 57.250 56.287 -0.725 0.000 0.945 487 K CB -0.339 31.864 32.500 -0.495 0.000 0.732 487 K HN 0.084 nan 8.250 nan 0.000 0.451 488 K N 1.083 121.086 120.400 -0.663 0.000 2.057 488 K HA -0.100 4.219 4.320 -0.001 0.000 0.206 488 K C 2.145 178.265 176.600 -0.800 0.000 1.050 488 K CA 1.100 57.021 56.287 -0.609 0.000 0.935 488 K CB -0.050 32.138 32.500 -0.519 0.000 0.715 488 K HN 0.133 nan 8.250 nan 0.000 0.439 489 A N 0.605 122.824 122.820 -1.002 0.000 1.877 489 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 489 A C 2.219 179.201 177.584 -1.004 0.000 1.186 489 A CA 1.557 52.862 52.037 -1.220 0.000 0.620 489 A CB -0.710 17.762 19.000 -0.880 0.000 0.822 489 A HN 0.154 nan 8.150 nan 0.000 0.443 490 V N 0.378 119.673 119.914 -1.031 0.000 2.332 490 V HA -0.298 3.821 4.120 -0.001 0.000 0.248 490 V C 2.564 178.267 176.094 -0.651 0.000 1.055 490 V CA 2.489 64.239 62.300 -0.918 0.000 1.038 490 V CB -0.666 30.496 31.823 -1.102 0.000 0.651 490 V HN 0.723 nan 8.190 nan 0.000 0.450 491 K N 0.002 120.040 120.400 -0.604 0.000 2.147 491 K HA -0.140 4.180 4.320 -0.001 0.000 0.205 491 K C 2.141 178.563 176.600 -0.298 0.000 1.049 491 K CA 1.333 57.374 56.287 -0.411 0.000 0.936 491 K CB -0.052 32.233 32.500 -0.358 0.000 0.722 491 K HN 0.389 nan 8.250 nan 0.000 0.446 492 R N -0.810 119.470 120.500 -0.366 0.000 2.300 492 R HA 0.137 4.476 4.340 -0.001 0.000 0.199 492 R C 1.732 178.060 176.300 0.047 0.000 0.920 492 R CA 0.493 56.490 56.100 -0.172 0.000 1.046 492 R CB 0.392 30.507 30.300 -0.309 0.000 0.984 492 R HN 0.141 nan 8.270 nan 0.000 0.493 493 A N 0.772 123.561 122.820 -0.052 0.000 2.044 493 A HA 0.161 4.481 4.320 -0.001 0.000 0.213 493 A C 1.017 178.601 177.584 0.001 0.000 1.169 493 A CA 0.100 52.135 52.037 -0.003 0.000 0.724 493 A CB 0.086 19.015 19.000 -0.118 0.000 0.840 493 A HN 0.087 nan 8.150 nan 0.000 0.463 494 M N -0.977 118.587 119.600 -0.060 0.000 2.245 494 M HA 0.377 4.856 4.480 -0.001 0.000 0.330 494 M C 0.972 177.366 176.300 0.157 0.000 1.098 494 M CA 0.657 55.958 55.300 0.003 0.000 1.172 494 M CB 0.202 32.756 32.600 -0.078 0.000 1.467 494 M HN 0.691 nan 8.290 nan 0.000 0.454 495 A N 1.655 124.623 122.820 0.247 0.000 2.687 495 A HA -0.170 4.150 4.320 -0.001 0.000 0.299 495 A C 0.724 178.563 177.584 0.426 0.000 1.497 495 A CA 1.101 53.412 52.037 0.458 0.000 0.751 495 A CB -2.140 17.112 19.000 0.421 0.000 1.048 495 A HN 1.133 nan 8.150 nan 0.000 0.464 496 W N 0.400 121.780 121.300 0.134 0.000 2.501 496 W HA 0.044 4.703 4.660 -0.000 0.000 0.309 496 W C 0.430 177.002 176.519 0.089 0.000 1.165 496 W CA 1.270 58.666 57.345 0.085 0.000 1.381 496 W CB -0.037 29.444 29.460 0.035 0.000 1.142 496 W HN 0.513 nan 8.180 nan 0.000 0.509 497 E N 2.723 122.989 120.200 0.111 0.000 2.415 497 E HA -0.039 4.311 4.350 -0.001 0.000 0.263 497 E C -0.155 176.397 176.600 -0.079 0.000 0.995 497 E CA 0.437 56.839 56.400 0.002 0.000 0.915 497 E CB 0.469 30.292 29.700 0.205 0.000 0.951 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 E N 2.225 122.365 120.200 -0.100 0.000 2.614 498 E HA -0.093 4.257 4.350 -0.001 0.000 0.245 498 E C 0.551 177.099 176.600 -0.087 0.000 1.039 498 E CA 0.416 56.777 56.400 -0.064 0.000 0.948 498 E CB -0.109 29.546 29.700 -0.077 0.000 0.937 498 E HN 0.394 nan 8.360 nan 0.000 0.498 499 H N 1.605 120.446 119.070 -0.383 0.000 2.574 499 H HA -0.066 4.490 4.556 -0.001 0.000 0.277 499 H C 0.711 175.849 175.328 -0.318 0.000 1.058 499 H CA -0.154 55.438 56.048 -0.761 0.000 1.171 499 H CB 0.077 29.384 29.762 -0.759 0.000 1.304 499 H HN 0.556 nan 8.280 nan 0.000 0.620 500 D N 0.000 120.379 120.400 -0.034 0.000 6.856 500 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 500 D CA 0.000 54.022 54.000 0.036 0.000 0.868 500 D CB 0.000 40.823 40.800 0.038 0.000 0.688 500 D HN 0.000 nan 8.370 nan 0.000 0.683