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 1bwf_1_Y DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSWTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIGX XXXTRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LINDAYDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEH 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 0.000 176.551 176.600 -0.082 0.000 1.382 2 E CA 0.000 56.355 56.400 -0.074 0.000 0.976 2 E CB 0.000 29.656 29.700 -0.073 0.000 0.812 3 K N 1.932 122.271 120.400 -0.102 0.000 2.575 3 K HA 0.440 4.760 4.320 -0.000 0.000 0.236 3 K C 0.078 176.607 176.600 -0.119 0.000 0.976 3 K CA -0.173 56.067 56.287 -0.077 0.000 0.985 3 K CB 2.214 34.712 32.500 -0.004 0.000 1.198 3 K HN 0.016 nan 8.250 nan 0.000 0.464 4 K N 1.045 121.276 120.400 -0.282 0.000 2.334 4 K HA 0.095 4.414 4.320 -0.000 0.000 0.195 4 K C -0.147 176.328 176.600 -0.209 0.000 1.045 4 K CA 0.798 56.840 56.287 -0.410 0.000 1.004 4 K CB 0.428 32.464 32.500 -0.773 0.000 0.837 4 K HN 0.368 nan 8.250 nan 0.000 0.510 5 Y N -0.756 119.711 120.300 0.278 0.000 2.693 5 Y HA 0.553 5.103 4.550 -0.000 0.000 0.331 5 Y C -0.560 175.322 175.900 -0.030 0.000 1.092 5 Y CA -1.514 56.660 58.100 0.125 0.000 1.131 5 Y CB 1.099 39.598 38.460 0.065 0.000 1.318 5 Y HN -0.256 nan 8.280 nan 0.000 0.510 6 I N 0.296 120.934 120.570 0.113 0.000 2.722 6 I HA 0.620 4.789 4.170 -0.000 0.000 0.295 6 I C -1.825 174.320 176.117 0.047 0.000 1.161 6 I CA -0.736 60.555 61.300 -0.016 0.000 1.032 6 I CB 1.814 39.664 38.000 -0.250 0.000 1.244 6 I HN 0.409 nan 8.210 nan 0.000 0.421 7 V N 6.883 126.825 119.914 0.046 0.000 2.417 7 V HA 0.770 4.890 4.120 -0.000 0.000 0.291 7 V C 0.265 176.382 176.094 0.038 0.000 1.024 7 V CA -0.416 61.908 62.300 0.039 0.000 0.861 7 V CB 1.341 33.188 31.823 0.039 0.000 0.985 7 V HN 0.808 nan 8.190 nan 0.000 0.436 8 A N 5.419 128.259 122.820 0.033 0.000 2.295 8 A HA 0.889 5.209 4.320 -0.000 0.000 0.318 8 A C -1.060 176.540 177.584 0.027 0.000 1.134 8 A CA -0.452 51.604 52.037 0.033 0.000 0.827 8 A CB 0.935 19.951 19.000 0.028 0.000 1.136 8 A HN 0.618 nan 8.150 nan 0.000 0.493 9 L N 1.255 122.495 121.223 0.029 0.000 2.362 9 L HA 0.588 4.927 4.340 -0.000 0.000 0.271 9 L C -0.909 175.980 176.870 0.031 0.000 1.002 9 L CA -0.049 54.807 54.840 0.026 0.000 0.818 9 L CB 1.967 44.042 42.059 0.026 0.000 1.298 9 L HN 0.726 nan 8.230 nan 0.000 0.420 10 D N 1.996 122.420 120.400 0.040 0.000 2.336 10 D HA 0.151 4.791 4.640 -0.000 0.000 0.248 10 D C -1.045 175.306 176.300 0.084 0.000 1.326 10 D CA -0.313 53.720 54.000 0.055 0.000 0.973 10 D CB 1.080 41.911 40.800 0.053 0.000 1.255 10 D HN 0.209 nan 8.370 nan 0.000 0.558 11 Q N 2.262 122.117 119.800 0.092 0.000 2.441 11 Q HA 0.498 4.838 4.340 -0.000 0.000 0.234 11 Q C -0.192 175.922 176.000 0.190 0.000 1.078 11 Q CA -0.455 55.426 55.803 0.131 0.000 0.907 11 Q CB 0.874 29.675 28.738 0.105 0.000 1.269 11 Q HN 0.573 nan 8.270 nan 0.000 0.502 12 G N 1.869 110.826 108.800 0.263 0.000 2.437 12 G HA2 0.299 4.259 3.960 -0.000 0.000 0.319 12 G HA3 0.299 4.259 3.960 -0.000 0.000 0.319 12 G C 0.732 175.891 174.900 0.431 0.000 1.158 12 G CA -0.317 44.953 45.100 0.284 0.000 0.899 12 G HN 0.580 nan 8.290 nan 0.000 0.502 13 T N 0.004 114.808 114.554 0.417 0.000 2.721 13 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 13 T C 2.410 177.265 174.700 0.259 0.000 1.038 13 T CA 2.338 64.758 62.100 0.532 0.000 1.145 13 T CB -0.201 68.999 68.868 0.554 0.000 0.858 13 T HN 0.776 nan 8.240 nan 0.000 0.459 14 T N -1.593 112.920 114.554 -0.070 0.000 3.003 14 T HA 0.376 4.726 4.350 -0.000 0.000 0.261 14 T C 0.455 174.646 174.700 -0.848 0.000 1.003 14 T CA 0.182 61.936 62.100 -0.577 0.000 0.917 14 T CB 0.233 68.967 68.868 -0.224 0.000 1.084 14 T HN 0.423 nan 8.240 nan 0.000 0.522 15 S N -0.210 115.334 115.700 -0.260 0.000 2.552 15 S HA 0.651 5.120 4.470 -0.000 0.000 0.272 15 S C -1.049 173.779 174.600 0.379 0.000 1.150 15 S CA -0.783 57.456 58.200 0.065 0.000 0.849 15 S CB 1.635 64.846 63.200 0.017 0.000 1.113 15 S HN 0.111 nan 8.310 nan 0.000 0.458 16 S N 1.203 117.117 115.700 0.355 0.000 2.586 16 S HA 0.696 5.166 4.470 -0.000 0.000 0.274 16 S C -0.177 174.496 174.600 0.122 0.000 1.281 16 S CA -0.814 57.507 58.200 0.202 0.000 1.035 16 S CB 0.422 63.686 63.200 0.106 0.000 0.962 16 S HN 0.648 nan 8.310 nan 0.000 0.512 17 R N 0.492 121.042 120.500 0.084 0.000 2.774 17 R HA 0.756 5.096 4.340 -0.000 0.000 0.272 17 R C -1.440 174.880 176.300 0.034 0.000 1.000 17 R CA -0.926 55.209 56.100 0.058 0.000 0.906 17 R CB 1.976 32.310 30.300 0.057 0.000 1.227 17 R HN 0.610 nan 8.270 nan 0.000 0.468 18 A N 1.538 124.374 122.820 0.026 0.000 2.359 18 A HA 0.681 5.000 4.320 -0.000 0.000 0.303 18 A C -1.026 176.566 177.584 0.013 0.000 1.066 18 A CA -0.622 51.424 52.037 0.015 0.000 0.730 18 A CB 1.627 20.632 19.000 0.008 0.000 1.211 18 A HN 0.326 nan 8.150 nan 0.000 0.439 19 V N 2.231 122.152 119.914 0.011 0.000 2.823 19 V HA 0.651 4.771 4.120 -0.000 0.000 0.312 19 V C -0.556 175.536 176.094 -0.003 0.000 1.072 19 V CA -0.535 61.768 62.300 0.006 0.000 0.937 19 V CB 2.099 33.931 31.823 0.014 0.000 1.013 19 V HN 0.751 nan 8.190 nan 0.000 0.430 20 V N 4.587 124.486 119.914 -0.026 0.000 2.656 20 V HA 0.750 4.870 4.120 -0.000 0.000 0.307 20 V C -0.480 175.584 176.094 -0.049 0.000 1.051 20 V CA -0.484 61.779 62.300 -0.061 0.000 0.893 20 V CB 1.630 33.352 31.823 -0.169 0.000 0.999 20 V HN 0.933 nan 8.190 nan 0.000 0.426 21 M N 2.868 122.475 119.600 0.012 0.000 2.520 21 M HA 0.527 5.007 4.480 -0.000 0.000 0.280 21 M C -1.210 175.260 176.300 0.284 0.000 1.232 21 M CA -0.672 54.696 55.300 0.113 0.000 0.892 21 M CB 2.010 34.700 32.600 0.150 0.000 1.728 21 M HN 0.771 nan 8.290 nan 0.000 0.475 22 D N -1.189 119.430 120.400 0.365 0.000 2.451 22 D HA 0.188 4.828 4.640 -0.000 0.000 0.259 22 D C 0.648 177.216 176.300 0.447 0.000 1.201 22 D CA -0.286 53.999 54.000 0.476 0.000 1.028 22 D CB 0.410 41.457 40.800 0.412 0.000 1.095 22 D HN 0.755 nan 8.370 nan 0.000 0.539 23 H N -1.321 117.974 119.070 0.375 0.000 2.489 23 H HA -0.081 4.475 4.556 -0.000 0.000 0.295 23 H C 0.430 176.029 175.328 0.450 0.000 1.082 23 H CA 1.594 57.817 56.048 0.292 0.000 1.295 23 H CB 0.226 29.964 29.762 -0.040 0.000 1.380 23 H HN 0.356 nan 8.280 nan 0.000 0.548 24 D N -0.370 120.278 120.400 0.413 0.000 2.340 24 D HA 0.146 4.786 4.640 -0.000 0.000 0.220 24 D C 0.592 177.070 176.300 0.297 0.000 1.039 24 D CA 0.803 55.003 54.000 0.332 0.000 0.866 24 D CB 0.187 41.125 40.800 0.230 0.000 0.913 24 D HN 0.455 nan 8.370 nan 0.000 0.523 25 A N 1.382 124.433 122.820 0.385 0.000 2.876 25 A HA -0.191 4.129 4.320 -0.000 0.000 0.287 25 A C -0.179 177.518 177.584 0.189 0.000 1.455 25 A CA 0.090 52.306 52.037 0.297 0.000 0.744 25 A CB -2.227 16.858 19.000 0.141 0.000 1.041 25 A HN 0.226 nan 8.150 nan 0.000 0.500 26 N N 0.088 118.901 118.700 0.190 0.000 2.479 26 N HA 0.488 5.228 4.740 -0.000 0.000 0.285 26 N C -0.055 175.517 175.510 0.104 0.000 1.075 26 N CA -0.171 52.957 53.050 0.129 0.000 0.967 26 N CB 1.331 39.893 38.487 0.126 0.000 1.137 26 N HN 0.876 nan 8.380 nan 0.000 0.472 27 I N 2.262 122.874 120.570 0.070 0.000 2.322 27 I HA 0.127 4.297 4.170 -0.000 0.000 0.292 27 I C 0.556 176.681 176.117 0.013 0.000 1.060 27 I CA -0.105 61.219 61.300 0.041 0.000 1.309 27 I CB 0.059 38.081 38.000 0.037 0.000 1.415 27 I HN 0.390 nan 8.210 nan 0.000 0.492 28 I N 5.070 125.626 120.570 -0.023 0.000 2.235 28 I HA 0.110 4.280 4.170 -0.000 0.000 0.241 28 I C 1.118 177.196 176.117 -0.066 0.000 1.085 28 I CA 1.215 62.474 61.300 -0.069 0.000 1.378 28 I CB -0.480 37.401 38.000 -0.199 0.000 1.076 28 I HN 0.785 nan 8.210 nan 0.000 0.415 29 S N -1.374 114.285 115.700 -0.070 0.000 2.570 29 S HA 0.667 5.136 4.470 -0.000 0.000 0.270 29 S C -1.524 173.059 174.600 -0.028 0.000 1.149 29 S CA -0.602 57.570 58.200 -0.047 0.000 0.837 29 S CB 1.488 64.652 63.200 -0.060 0.000 1.124 29 S HN -0.224 nan 8.310 nan 0.000 0.465 30 V N 2.960 122.866 119.914 -0.013 0.000 2.439 30 V HA 0.522 4.641 4.120 -0.000 0.000 0.277 30 V C 0.220 176.318 176.094 0.008 0.000 1.008 30 V CA -0.591 61.709 62.300 0.000 0.000 0.846 30 V CB 0.864 32.691 31.823 0.007 0.000 1.031 30 V HN 0.858 nan 8.190 nan 0.000 0.441 31 S N 3.772 119.480 115.700 0.013 0.000 2.652 31 S HA 0.657 5.127 4.470 -0.000 0.000 0.270 31 S C -0.456 174.167 174.600 0.037 0.000 1.243 31 S CA -0.212 58.004 58.200 0.026 0.000 0.999 31 S CB 1.453 64.674 63.200 0.036 0.000 0.973 31 S HN 0.842 nan 8.310 nan 0.000 0.544 32 Q N 2.673 122.502 119.800 0.048 0.000 3.091 32 Q HA 0.169 4.509 4.340 -0.000 0.000 0.203 32 Q C -1.736 174.306 176.000 0.071 0.000 0.768 32 Q CA -0.250 55.587 55.803 0.058 0.000 0.955 32 Q CB 0.550 29.316 28.738 0.046 0.000 1.533 32 Q HN 0.778 nan 8.270 nan 0.000 0.472 33 R N 2.121 122.682 120.500 0.101 0.000 2.255 33 R HA 0.326 4.665 4.340 -0.000 0.000 0.326 33 R C -0.264 176.125 176.300 0.148 0.000 0.986 33 R CA -0.670 55.501 56.100 0.118 0.000 0.847 33 R CB 1.547 31.943 30.300 0.160 0.000 1.111 33 R HN 0.473 nan 8.270 nan 0.000 0.452 34 E N 3.191 123.440 120.200 0.083 0.000 2.442 34 E HA 0.007 4.357 4.350 -0.000 0.000 0.262 34 E C -0.674 175.970 176.600 0.074 0.000 1.004 34 E CA 0.718 57.120 56.400 0.003 0.000 0.928 34 E CB 0.489 30.159 29.700 -0.050 0.000 0.937 34 E HN 0.283 nan 8.360 nan 0.000 0.446 35 F N -0.537 119.393 119.950 -0.033 0.000 2.620 35 F HA 0.430 4.957 4.527 -0.000 0.000 0.320 35 F C -0.050 175.699 175.800 -0.085 0.000 1.069 35 F CA -1.349 56.615 58.000 -0.060 0.000 0.953 35 F CB 0.636 39.580 39.000 -0.094 0.000 1.322 35 F HN 0.207 nan 8.300 nan 0.000 0.479 36 E N 1.676 121.935 120.200 0.099 0.000 2.290 36 E HA 0.103 4.453 4.350 -0.000 0.000 0.277 36 E C -0.912 175.699 176.600 0.017 0.000 1.035 36 E CA -0.554 55.852 56.400 0.011 0.000 0.873 36 E CB 0.692 30.412 29.700 0.033 0.000 1.029 36 E HN 0.500 nan 8.360 nan 0.000 0.419 37 Q N 3.944 123.686 119.800 -0.097 0.000 2.279 37 Q HA 0.339 4.679 4.340 -0.000 0.000 0.256 37 Q C -0.189 175.503 176.000 -0.514 0.000 0.937 37 Q CA -0.135 55.572 55.803 -0.160 0.000 0.933 37 Q CB 1.191 29.843 28.738 -0.143 0.000 1.189 37 Q HN 0.522 nan 8.270 nan 0.000 0.417 38 I N 3.118 123.434 120.570 -0.423 0.000 2.389 38 I HA 0.199 4.368 4.170 -0.000 0.000 0.288 38 I C -0.939 174.928 176.117 -0.415 0.000 0.999 38 I CA -0.951 60.086 61.300 -0.438 0.000 1.129 38 I CB 0.867 38.798 38.000 -0.114 0.000 1.288 38 I HN 0.419 nan 8.210 nan 0.000 0.444 39 Y N 7.171 127.519 120.300 0.080 0.000 2.931 39 Y HA 0.307 4.857 4.550 -0.000 0.000 0.330 39 Y C -1.584 174.364 175.900 0.081 0.000 1.115 39 Y CA -3.052 55.099 58.100 0.085 0.000 1.283 39 Y CB -0.404 38.098 38.460 0.070 0.000 1.215 39 Y HN 0.469 nan 8.280 nan 0.000 0.534 40 P HA -0.180 nan 4.420 nan 0.000 0.217 40 P C -0.139 177.183 177.300 0.037 0.000 1.148 40 P CA 1.459 64.656 63.100 0.161 0.000 0.828 40 P CB 0.532 32.405 31.700 0.288 0.000 0.783 41 K N -3.134 117.270 120.400 0.007 0.000 2.639 41 K HA 0.341 4.661 4.320 -0.000 0.000 0.279 41 K C -3.402 173.099 176.600 -0.165 0.000 0.976 41 K CA -1.984 54.169 56.287 -0.224 0.000 0.861 41 K CB 0.817 32.962 32.500 -0.592 0.000 1.436 41 K HN -0.371 nan 8.250 nan 0.000 0.400 42 P HA 0.011 nan 4.420 nan 0.000 0.256 42 P C 0.615 177.916 177.300 0.001 0.000 1.173 42 P CA 1.780 64.848 63.100 -0.052 0.000 0.768 42 P CB 0.233 31.906 31.700 -0.044 0.000 0.758 43 G N 1.059 109.918 108.800 0.099 0.000 2.175 43 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 43 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 43 G C -0.674 174.498 174.900 0.453 0.000 0.982 43 G CA -0.641 44.585 45.100 0.209 0.000 0.641 43 G HN 0.356 nan 8.290 nan 0.000 0.527 44 W N -0.242 121.036 121.300 -0.037 0.000 2.606 44 W HA 0.749 5.409 4.660 -0.001 0.000 0.332 44 W C -0.139 176.404 176.519 0.040 0.000 1.052 44 W CA -1.448 55.872 57.345 -0.043 0.000 1.223 44 W CB 1.873 31.313 29.460 -0.034 0.000 1.383 44 W HN 0.293 nan 8.180 nan 0.000 0.524 45 V N 2.649 122.648 119.914 0.142 0.000 2.612 45 V HA 0.451 4.571 4.120 -0.000 0.000 0.301 45 V C -0.549 175.483 176.094 -0.104 0.000 1.059 45 V CA -1.198 61.151 62.300 0.082 0.000 0.886 45 V CB 1.587 33.396 31.823 -0.023 0.000 1.007 45 V HN 0.543 nan 8.190 nan 0.000 0.426 46 E N 2.926 123.079 120.200 -0.078 0.000 2.433 46 E HA 0.738 5.088 4.350 -0.000 0.000 0.273 46 E C -1.532 175.064 176.600 -0.007 0.000 0.950 46 E CA -1.050 55.281 56.400 -0.116 0.000 0.796 46 E CB 2.425 32.111 29.700 -0.024 0.000 1.330 46 E HN 0.691 nan 8.360 nan 0.000 0.455 47 H N -0.093 118.978 119.070 0.002 0.000 2.834 47 H HA 0.294 4.850 4.556 -0.000 0.000 0.369 47 H C -1.184 174.123 175.328 -0.035 0.000 1.174 47 H CA -0.996 55.072 56.048 0.033 0.000 1.165 47 H CB 1.515 31.314 29.762 0.061 0.000 1.820 47 H HN 0.424 nan 8.280 nan 0.000 0.558 48 D N 2.262 122.723 120.400 0.102 0.000 2.396 48 D HA 0.135 4.775 4.640 -0.000 0.000 0.225 48 D C -1.730 174.554 176.300 -0.027 0.000 1.121 48 D CA -1.812 52.198 54.000 0.017 0.000 0.853 48 D CB 1.635 42.455 40.800 0.033 0.000 1.043 48 D HN 0.118 nan 8.370 nan 0.000 0.500 49 P HA -0.229 nan 4.420 nan 0.000 0.217 49 P C 1.847 179.266 177.300 0.198 0.000 1.158 49 P CA 1.510 64.510 63.100 -0.167 0.000 0.887 49 P CB 0.135 31.523 31.700 -0.520 0.000 0.792 50 M N -0.760 118.972 119.600 0.219 0.000 2.059 50 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 50 M C 2.277 178.717 176.300 0.234 0.000 1.072 50 M CA 1.777 57.287 55.300 0.351 0.000 1.117 50 M CB -1.932 30.824 32.600 0.260 0.000 1.320 50 M HN 0.050 nan 8.290 nan 0.000 0.408 51 E N 0.602 120.868 120.200 0.110 0.000 2.187 51 E HA -0.218 4.132 4.350 -0.000 0.000 0.199 51 E C 1.835 178.393 176.600 -0.070 0.000 1.004 51 E CA 1.311 57.740 56.400 0.048 0.000 0.813 51 E CB -0.063 29.670 29.700 0.056 0.000 0.736 51 E HN 0.377 nan 8.360 nan 0.000 0.468 52 I N 0.467 120.962 120.570 -0.125 0.000 2.072 52 I HA -0.283 3.887 4.170 -0.000 0.000 0.235 52 I C 2.232 178.331 176.117 -0.030 0.000 1.058 52 I CA 1.814 62.944 61.300 -0.282 0.000 1.320 52 I CB -0.783 37.107 38.000 -0.182 0.000 1.047 52 I HN 0.409 nan 8.210 nan 0.000 0.397 53 W N 1.821 123.121 121.300 -0.001 0.000 2.286 53 W HA -0.459 4.200 4.660 -0.001 0.000 0.341 53 W C 2.538 178.900 176.519 -0.261 0.000 1.359 53 W CA 2.191 59.474 57.345 -0.104 0.000 1.269 53 W CB -0.476 28.949 29.460 -0.057 0.000 1.123 53 W HN 0.288 nan 8.180 nan 0.000 0.467 54 A N 0.723 123.270 122.820 -0.455 0.000 1.852 54 A HA -0.380 3.940 4.320 -0.000 0.000 0.217 54 A C 1.910 178.989 177.584 -0.842 0.000 1.215 54 A CA 3.908 55.493 52.037 -0.754 0.000 0.641 54 A CB -1.929 16.996 19.000 -0.124 0.000 0.838 54 A HN 0.606 nan 8.150 nan 0.000 0.450 55 T N -2.741 111.642 114.554 -0.284 0.000 2.996 55 T HA -0.198 4.152 4.350 -0.000 0.000 0.271 55 T C 1.724 176.279 174.700 -0.242 0.000 1.126 55 T CA 1.932 63.972 62.100 -0.100 0.000 1.103 55 T CB -0.243 68.692 68.868 0.113 0.000 0.870 55 T HN 0.484 nan 8.240 nan 0.000 0.528 56 Q N 0.713 120.264 119.800 -0.414 0.000 2.163 56 Q HA 0.194 4.534 4.340 -0.000 0.000 0.198 56 Q C 2.519 178.193 176.000 -0.544 0.000 0.954 56 Q CA 1.222 56.823 55.803 -0.338 0.000 0.851 56 Q CB -0.493 28.139 28.738 -0.177 0.000 0.928 56 Q HN 0.531 nan 8.270 nan 0.000 0.459 57 S N -0.242 114.803 115.700 -1.093 0.000 2.399 57 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 57 S C 1.129 175.211 174.600 -0.864 0.000 1.022 57 S CA 1.286 58.721 58.200 -1.275 0.000 0.983 57 S CB -0.310 61.677 63.200 -2.021 0.000 0.803 57 S HN 0.546 nan 8.310 nan 0.000 0.480 58 W N 1.623 122.775 121.300 -0.247 0.000 2.452 58 W HA -0.065 4.595 4.660 -0.001 0.000 0.313 58 W C 2.833 179.291 176.519 -0.102 0.000 1.176 58 W CA 0.865 58.121 57.345 -0.149 0.000 1.350 58 W CB -1.454 27.936 29.460 -0.116 0.000 1.148 58 W HN 0.230 nan 8.180 nan 0.000 0.498 59 T N 0.969 115.586 114.554 0.104 0.000 2.602 59 T HA -0.418 3.931 4.350 -0.000 0.000 0.264 59 T C 1.706 176.424 174.700 0.030 0.000 1.085 59 T CA 1.707 63.841 62.100 0.057 0.000 1.164 59 T CB -1.238 67.645 68.868 0.025 0.000 0.860 59 T HN -0.003 nan 8.240 nan 0.000 0.442 60 L N 1.355 122.563 121.223 -0.025 0.000 2.054 60 L HA -0.211 4.129 4.340 -0.000 0.000 0.240 60 L C 2.741 179.621 176.870 0.017 0.000 1.107 60 L CA 1.926 56.751 54.840 -0.025 0.000 0.833 60 L CB -1.333 40.675 42.059 -0.085 0.000 0.929 60 L HN 0.336 nan 8.230 nan 0.000 0.447 61 V N -0.486 119.457 119.914 0.048 0.000 2.232 61 V HA -0.370 3.750 4.120 -0.000 0.000 0.241 61 V C 2.471 178.602 176.094 0.061 0.000 1.036 61 V CA 2.117 64.464 62.300 0.078 0.000 0.993 61 V CB -0.751 31.169 31.823 0.162 0.000 0.639 61 V HN 0.598 nan 8.190 nan 0.000 0.459 62 E N -0.357 119.891 120.200 0.081 0.000 2.246 62 E HA -0.327 4.022 4.350 -0.000 0.000 0.232 62 E C 1.988 178.603 176.600 0.026 0.000 1.087 62 E CA 3.036 59.465 56.400 0.048 0.000 0.964 62 E CB -0.445 29.292 29.700 0.061 0.000 0.827 62 E HN 0.597 nan 8.360 nan 0.000 0.476 63 V N 0.282 120.209 119.914 0.023 0.000 2.216 63 V HA -0.284 3.836 4.120 -0.000 0.000 0.243 63 V C 2.685 178.774 176.094 -0.008 0.000 1.044 63 V CA 1.896 64.196 62.300 -0.000 0.000 0.995 63 V CB -1.210 30.607 31.823 -0.011 0.000 0.633 63 V HN 0.242 nan 8.190 nan 0.000 0.446 64 L N 0.441 121.666 121.223 0.002 0.000 2.054 64 L HA -0.394 3.946 4.340 -0.000 0.000 0.240 64 L C 2.932 179.808 176.870 0.010 0.000 1.107 64 L CA 2.755 57.601 54.840 0.010 0.000 0.833 64 L CB -1.073 41.004 42.059 0.031 0.000 0.929 64 L HN 0.511 nan 8.230 nan 0.000 0.447 65 A N 0.307 123.138 122.820 0.019 0.000 1.915 65 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 65 A C 1.895 179.482 177.584 0.006 0.000 1.198 65 A CA 2.613 54.659 52.037 0.016 0.000 0.647 65 A CB -0.746 18.265 19.000 0.019 0.000 0.825 65 A HN 0.671 nan 8.150 nan 0.000 0.456 66 K N -0.821 119.578 120.400 -0.001 0.000 2.546 66 K HA 0.472 4.792 4.320 -0.000 0.000 0.198 66 K C 0.786 177.377 176.600 -0.014 0.000 1.028 66 K CA 0.745 57.028 56.287 -0.007 0.000 1.150 66 K CB 0.000 32.495 32.500 -0.008 0.000 0.876 66 K HN 0.336 nan 8.250 nan 0.000 0.508 67 A N 1.316 124.126 122.820 -0.016 0.000 2.498 67 A HA 0.120 4.439 4.320 -0.000 0.000 0.238 67 A C -0.303 177.284 177.584 0.005 0.000 1.225 67 A CA -0.059 51.962 52.037 -0.028 0.000 0.978 67 A CB 0.336 19.284 19.000 -0.087 0.000 1.142 67 A HN 0.414 nan 8.150 nan 0.000 0.552 68 D N -0.395 120.015 120.400 0.017 0.000 2.981 68 D HA -0.140 4.500 4.640 -0.000 0.000 0.223 68 D C -0.251 176.087 176.300 0.062 0.000 1.151 68 D CA 0.790 54.811 54.000 0.035 0.000 0.827 68 D CB -1.401 39.419 40.800 0.033 0.000 1.101 68 D HN 0.306 nan 8.370 nan 0.000 0.426 69 I N 0.661 121.270 120.570 0.064 0.000 2.577 69 I HA 0.320 4.490 4.170 -0.000 0.000 0.300 69 I C 1.038 177.217 176.117 0.104 0.000 0.990 69 I CA -0.706 60.670 61.300 0.126 0.000 1.283 69 I CB 1.513 39.587 38.000 0.122 0.000 1.411 69 I HN -0.177 nan 8.210 nan 0.000 0.515 70 S N 1.978 117.752 115.700 0.124 0.000 2.568 70 S HA 0.321 4.790 4.470 -0.000 0.000 0.293 70 S C 0.971 175.625 174.600 0.090 0.000 1.089 70 S CA -0.644 57.608 58.200 0.086 0.000 0.945 70 S CB 1.651 64.888 63.200 0.062 0.000 1.077 70 S HN 0.600 nan 8.310 nan 0.000 0.485 71 S N 2.003 117.744 115.700 0.068 0.000 2.448 71 S HA -0.294 4.176 4.470 -0.000 0.000 0.250 71 S C 1.466 176.102 174.600 0.061 0.000 1.088 71 S CA 2.231 60.468 58.200 0.061 0.000 1.058 71 S CB -0.701 62.525 63.200 0.044 0.000 0.873 71 S HN 0.927 nan 8.310 nan 0.000 0.473 72 D N 1.571 122.003 120.400 0.053 0.000 2.249 72 D HA -0.126 4.513 4.640 -0.000 0.000 0.205 72 D C 1.817 178.136 176.300 0.032 0.000 0.962 72 D CA 0.759 54.782 54.000 0.037 0.000 0.860 72 D CB -0.508 40.305 40.800 0.021 0.000 0.955 72 D HN 0.632 nan 8.370 nan 0.000 0.505 73 Q N 0.936 120.768 119.800 0.053 0.000 2.403 73 Q HA 0.097 4.437 4.340 -0.000 0.000 0.203 73 Q C 0.772 176.777 176.000 0.007 0.000 0.932 73 Q CA -0.038 55.751 55.803 -0.023 0.000 0.945 73 Q CB -0.306 28.376 28.738 -0.092 0.000 1.045 73 Q HN 0.443 nan 8.270 nan 0.000 0.511 74 I N -2.629 118.011 120.570 0.117 0.000 2.377 74 I HA 0.610 4.780 4.170 -0.000 0.000 0.293 74 I C 0.792 176.981 176.117 0.120 0.000 0.987 74 I CA -0.828 60.567 61.300 0.159 0.000 1.185 74 I CB 1.584 39.701 38.000 0.196 0.000 1.341 74 I HN -0.125 nan 8.210 nan 0.000 0.455 75 A N 4.797 127.711 122.820 0.157 0.000 1.823 75 A HA 0.665 4.985 4.320 -0.000 0.000 0.214 75 A C 1.311 178.956 177.584 0.103 0.000 1.225 75 A CA 1.402 53.534 52.037 0.158 0.000 0.604 75 A CB -0.869 18.321 19.000 0.317 0.000 0.878 75 A HN 1.083 nan 8.150 nan 0.000 0.450 76 A N -1.766 121.103 122.820 0.082 0.000 0.000 76 A HA 0.747 5.067 4.320 -0.000 0.000 0.000 76 A C -1.068 176.551 177.584 0.057 0.000 0.000 76 A CA -0.566 51.510 52.037 0.065 0.000 0.000 76 A CB 0.741 19.780 19.000 0.065 0.000 0.000 76 A HN 0.356 nan 8.150 nan 0.000 0.000 77 I N 0.666 121.274 120.570 0.063 0.000 2.439 77 I HA 0.489 4.658 4.170 -0.000 0.000 0.285 77 I C 0.635 176.800 176.117 0.080 0.000 1.021 77 I CA -0.121 61.218 61.300 0.065 0.000 1.091 77 I CB 1.901 39.938 38.000 0.062 0.000 1.242 77 I HN 0.726 nan 8.210 nan 0.000 0.439 78 G N 6.901 115.745 108.800 0.072 0.000 2.451 78 G HA2 0.767 4.727 3.960 -0.000 0.000 0.303 78 G HA3 0.767 4.727 3.960 -0.000 0.000 0.303 78 G C -0.546 174.391 174.900 0.062 0.000 1.166 78 G CA -0.377 44.770 45.100 0.079 0.000 0.884 78 G HN 0.489 nan 8.290 nan 0.000 0.514 79 I N 1.470 122.072 120.570 0.054 0.000 2.529 79 I HA 0.249 4.418 4.170 -0.000 0.000 0.284 79 I C -0.379 175.740 176.117 0.005 0.000 1.088 79 I CA -0.600 60.717 61.300 0.028 0.000 1.062 79 I CB 2.100 40.111 38.000 0.018 0.000 1.218 79 I HN 0.516 nan 8.210 nan 0.000 0.442 80 T N 2.791 117.350 114.554 0.008 0.000 2.912 80 T HA 0.694 5.044 4.350 -0.000 0.000 0.288 80 T C -0.483 174.225 174.700 0.013 0.000 1.030 80 T CA -0.918 61.179 62.100 -0.004 0.000 1.020 80 T CB 2.310 71.172 68.868 -0.011 0.000 1.056 80 T HN 0.778 nan 8.240 nan 0.000 0.480 81 N N 0.062 118.762 118.700 0.001 0.000 2.972 81 N HA 0.416 5.156 4.740 -0.000 0.000 0.262 81 N C -1.385 174.136 175.510 0.018 0.000 1.478 81 N CA -1.415 51.655 53.050 0.034 0.000 0.841 81 N CB 1.079 39.592 38.487 0.043 0.000 1.512 81 N HN 0.734 nan 8.380 nan 0.000 0.548 82 Q N -0.347 119.505 119.800 0.085 0.000 2.304 82 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 82 Q C 0.053 176.065 176.000 0.020 0.000 0.965 82 Q CA -0.449 55.409 55.803 0.092 0.000 0.898 82 Q CB 1.612 30.543 28.738 0.321 0.000 1.196 82 Q HN 0.528 nan 8.270 nan 0.000 0.402 83 R N 1.309 121.710 120.500 -0.165 0.000 2.275 83 R HA -0.035 4.304 4.340 -0.000 0.000 0.199 83 R C 0.491 176.757 176.300 -0.055 0.000 0.989 83 R CA 0.777 56.783 56.100 -0.157 0.000 1.016 83 R CB 0.416 30.549 30.300 -0.279 0.000 0.918 83 R HN 0.706 nan 8.270 nan 0.000 0.473 84 E N -1.145 119.114 120.200 0.098 0.000 2.453 84 E HA 0.084 4.434 4.350 -0.000 0.000 0.211 84 E C -0.354 176.365 176.600 0.197 0.000 0.897 84 E CA 0.125 56.612 56.400 0.144 0.000 1.063 84 E CB 0.788 30.573 29.700 0.141 0.000 1.080 84 E HN -0.018 nan 8.360 nan 0.000 0.512 85 T N 1.903 116.615 114.554 0.263 0.000 2.723 85 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 85 T C 0.077 174.835 174.700 0.096 0.000 1.019 85 T CA 0.761 62.964 62.100 0.171 0.000 1.155 85 T CB 0.190 69.193 68.868 0.224 0.000 1.024 85 T HN -0.038 nan 8.240 nan 0.000 0.491 86 T N 4.272 118.871 114.554 0.075 0.000 2.797 86 T HA 0.647 4.996 4.350 -0.000 0.000 0.279 86 T C -0.010 174.707 174.700 0.027 0.000 0.991 86 T CA -0.579 61.579 62.100 0.097 0.000 0.979 86 T CB 0.672 69.667 68.868 0.212 0.000 0.943 86 T HN 0.400 nan 8.240 nan 0.000 0.444 87 I N 1.985 122.542 120.570 -0.021 0.000 2.730 87 I HA 0.664 4.834 4.170 -0.000 0.000 0.298 87 I C -0.839 175.387 176.117 0.182 0.000 1.089 87 I CA -1.020 60.263 61.300 -0.028 0.000 1.041 87 I CB 2.358 40.161 38.000 -0.328 0.000 1.235 87 I HN 0.286 nan 8.210 nan 0.000 0.423 88 V N 4.148 124.185 119.914 0.205 0.000 2.567 88 V HA 0.504 4.624 4.120 -0.000 0.000 0.298 88 V C -1.385 174.829 176.094 0.200 0.000 1.047 88 V CA -0.444 61.950 62.300 0.158 0.000 0.880 88 V CB 1.388 33.273 31.823 0.103 0.000 1.009 88 V HN 0.883 nan 8.190 nan 0.000 0.429 89 W N 2.233 123.427 121.300 -0.176 0.000 2.975 89 W HA 0.793 5.452 4.660 -0.001 0.000 0.342 89 W C -0.390 176.042 176.519 -0.143 0.000 1.168 89 W CA -0.995 56.248 57.345 -0.170 0.000 1.141 89 W CB 0.893 30.215 29.460 -0.229 0.000 1.445 89 W HN 0.426 nan 8.180 nan 0.000 0.560 90 E N 1.878 122.149 120.200 0.119 0.000 2.376 90 E HA -0.042 4.308 4.350 -0.000 0.000 0.266 90 E C 0.817 177.511 176.600 0.156 0.000 1.009 90 E CA 0.027 56.468 56.400 0.068 0.000 0.902 90 E CB 1.276 31.048 29.700 0.120 0.000 0.972 90 E HN 0.507 nan 8.360 nan 0.000 0.439 91 K N 3.149 123.586 120.400 0.062 0.000 2.214 91 K HA -0.076 4.243 4.320 -0.000 0.000 0.201 91 K C 1.381 178.189 176.600 0.346 0.000 1.049 91 K CA 0.549 56.977 56.287 0.236 0.000 0.978 91 K CB 0.269 32.819 32.500 0.083 0.000 0.842 91 K HN 0.400 nan 8.250 nan 0.000 0.474 92 E N 0.104 120.419 120.200 0.191 0.000 2.038 92 E HA -0.180 4.169 4.350 -0.000 0.000 0.195 92 E C 1.808 178.535 176.600 0.211 0.000 1.000 92 E CA 2.386 58.887 56.400 0.168 0.000 0.803 92 E CB -0.102 29.658 29.700 0.100 0.000 0.750 92 E HN 0.413 nan 8.360 nan 0.000 0.448 93 T N -2.321 112.356 114.554 0.205 0.000 2.904 93 T HA -0.007 4.342 4.350 -0.000 0.000 0.267 93 T C 1.437 176.323 174.700 0.309 0.000 1.059 93 T CA 1.138 63.362 62.100 0.207 0.000 1.137 93 T CB -0.300 68.663 68.868 0.157 0.000 0.879 93 T HN 0.375 nan 8.240 nan 0.000 0.467 94 G N 1.680 110.771 108.800 0.484 0.000 2.225 94 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.264 94 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.264 94 G C -0.216 174.901 174.900 0.361 0.000 1.060 94 G CA 0.495 45.992 45.100 0.661 0.000 0.833 94 G HN 0.995 nan 8.290 nan 0.000 0.498 95 K N -0.058 120.536 120.400 0.323 0.000 2.482 95 K HA 0.650 4.970 4.320 -0.000 0.000 0.251 95 K C -2.856 173.875 176.600 0.219 0.000 0.936 95 K CA -2.350 54.079 56.287 0.236 0.000 0.791 95 K CB 2.814 35.423 32.500 0.182 0.000 1.213 95 K HN -0.059 nan 8.250 nan 0.000 0.428 96 P HA -0.044 nan 4.420 nan 0.000 0.264 96 P C 0.320 177.682 177.300 0.104 0.000 1.183 96 P CA 0.110 63.252 63.100 0.069 0.000 0.763 96 P CB 0.173 31.819 31.700 -0.091 0.000 0.807 97 I N -0.338 120.311 120.570 0.132 0.000 3.904 97 I HA 0.460 4.630 4.170 -0.000 0.000 0.333 97 I C -0.503 175.757 176.117 0.239 0.000 1.361 97 I CA -0.155 61.231 61.300 0.144 0.000 1.116 97 I CB -0.158 37.911 38.000 0.115 0.000 1.028 97 I HN 0.129 nan 8.210 nan 0.000 0.398 98 Y N 0.412 120.744 120.300 0.053 0.000 2.575 98 Y HA 0.243 4.793 4.550 -0.001 0.000 0.346 98 Y C -0.893 175.016 175.900 0.014 0.000 1.260 98 Y CA -1.031 57.109 58.100 0.067 0.000 1.317 98 Y CB 0.552 39.092 38.460 0.134 0.000 1.352 98 Y HN 0.029 nan 8.280 nan 0.000 0.492 99 N N 2.564 121.083 118.700 -0.302 0.000 2.345 99 N HA 0.302 5.041 4.740 -0.000 0.000 0.243 99 N C -0.224 175.320 175.510 0.056 0.000 1.246 99 N CA 0.989 53.945 53.050 -0.157 0.000 0.863 99 N CB 0.788 39.097 38.487 -0.297 0.000 1.096 99 N HN 0.764 nan 8.380 nan 0.000 0.446 100 A N 2.544 125.344 122.820 -0.034 0.000 2.511 100 A HA 0.202 4.521 4.320 -0.000 0.000 0.242 100 A C 0.421 177.983 177.584 -0.037 0.000 1.069 100 A CA 0.039 52.053 52.037 -0.038 0.000 0.763 100 A CB -0.261 18.696 19.000 -0.072 0.000 1.001 100 A HN 0.635 nan 8.150 nan 0.000 0.498 101 I N 3.313 123.859 120.570 -0.040 0.000 2.321 101 I HA 0.245 4.415 4.170 -0.000 0.000 0.291 101 I C -0.034 175.997 176.117 -0.143 0.000 0.998 101 I CA -0.656 60.567 61.300 -0.129 0.000 1.227 101 I CB 1.468 39.348 38.000 -0.200 0.000 1.368 101 I HN 0.411 nan 8.210 nan 0.000 0.466 102 V N 5.529 125.285 119.914 -0.262 0.000 2.881 102 V HA 0.034 4.154 4.120 -0.000 0.000 0.303 102 V C 1.219 177.178 176.094 -0.224 0.000 1.070 102 V CA -0.541 61.575 62.300 -0.305 0.000 1.074 102 V CB 0.638 32.089 31.823 -0.620 0.000 1.012 102 V HN 0.948 nan 8.190 nan 0.000 0.482 103 W N 1.733 123.001 121.300 -0.054 0.000 2.321 103 W HA -0.290 4.369 4.660 -0.001 0.000 0.306 103 W C 1.850 178.256 176.519 -0.189 0.000 1.217 103 W CA 1.658 59.006 57.345 0.005 0.000 1.257 103 W CB -0.929 28.657 29.460 0.210 0.000 1.145 103 W HN 0.786 nan 8.180 nan 0.000 0.509 104 Q N 1.431 120.703 119.800 -0.880 0.000 2.224 104 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 104 Q C 1.204 176.860 176.000 -0.574 0.000 0.970 104 Q CA 1.225 56.424 55.803 -1.007 0.000 0.865 104 Q CB -0.295 27.454 28.738 -1.647 0.000 0.922 104 Q HN 0.190 nan 8.270 nan 0.000 0.445 105 C N 2.971 122.004 119.300 -0.444 0.000 2.517 105 C HA 0.023 4.483 4.460 -0.000 0.000 0.403 105 C C 1.175 175.988 174.990 -0.295 0.000 1.467 105 C CA -0.259 58.566 59.018 -0.323 0.000 1.542 105 C CB -0.354 27.175 27.740 -0.353 0.000 2.482 105 C HN 0.472 nan 8.230 nan 0.000 0.610 106 R N 5.407 125.774 120.500 -0.222 0.000 2.426 106 R HA 0.029 4.368 4.340 -0.000 0.000 0.263 106 R C 2.091 178.253 176.300 -0.231 0.000 0.961 106 R CA -0.127 55.870 56.100 -0.172 0.000 1.086 106 R CB -0.515 29.741 30.300 -0.074 0.000 1.186 106 R HN 0.836 nan 8.270 nan 0.000 0.537 107 R N 1.337 121.478 120.500 -0.598 0.000 2.193 107 R HA -0.078 4.262 4.340 -0.000 0.000 0.229 107 R C 0.665 176.777 176.300 -0.314 0.000 1.110 107 R CA 1.836 57.480 56.100 -0.760 0.000 0.988 107 R CB -0.604 28.450 30.300 -2.076 0.000 0.871 107 R HN 0.037 nan 8.270 nan 0.000 0.458 108 T N -2.299 112.116 114.554 -0.232 0.000 3.317 108 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 108 T C 1.714 176.457 174.700 0.072 0.000 1.106 108 T CA 0.306 62.402 62.100 -0.006 0.000 0.986 108 T CB 0.465 69.342 68.868 0.014 0.000 1.010 108 T HN 0.314 nan 8.240 nan 0.000 0.560 109 A N 2.094 124.945 122.820 0.052 0.000 1.865 109 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 109 A C 2.237 179.928 177.584 0.179 0.000 1.191 109 A CA 1.879 53.962 52.037 0.077 0.000 0.623 109 A CB -0.941 18.062 19.000 0.004 0.000 0.826 109 A HN 0.583 nan 8.150 nan 0.000 0.444 110 E N -0.126 120.220 120.200 0.243 0.000 2.055 110 E HA -0.246 4.104 4.350 -0.000 0.000 0.209 110 E C 1.809 178.658 176.600 0.415 0.000 1.036 110 E CA 2.074 58.662 56.400 0.314 0.000 0.849 110 E CB -0.368 29.531 29.700 0.331 0.000 0.767 110 E HN 0.597 nan 8.360 nan 0.000 0.461 111 I N 0.313 121.099 120.570 0.360 0.000 2.151 111 I HA -0.503 3.667 4.170 -0.000 0.000 0.236 111 I C 2.594 178.889 176.117 0.297 0.000 1.000 111 I CA 1.708 63.198 61.300 0.317 0.000 1.285 111 I CB -0.954 37.160 38.000 0.190 0.000 0.994 111 I HN 0.432 nan 8.210 nan 0.000 0.396 112 C N 0.575 120.000 119.300 0.209 0.000 2.382 112 C HA -0.220 4.240 4.460 -0.000 0.000 0.274 112 C C 2.785 177.868 174.990 0.155 0.000 1.180 112 C CA 1.198 60.318 59.018 0.170 0.000 1.799 112 C CB -1.196 26.632 27.740 0.147 0.000 2.094 112 C HN 0.507 nan 8.230 nan 0.000 0.468 113 E N -0.451 119.837 120.200 0.146 0.000 2.051 113 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 113 E C 1.888 178.457 176.600 -0.053 0.000 0.991 113 E CA 1.126 57.547 56.400 0.036 0.000 0.799 113 E CB -0.665 29.027 29.700 -0.012 0.000 0.748 113 E HN 0.748 nan 8.360 nan 0.000 0.449 114 H N 0.682 119.804 119.070 0.087 0.000 2.265 114 H HA -0.171 4.385 4.556 -0.000 0.000 0.293 114 H C 2.471 177.831 175.328 0.053 0.000 1.089 114 H CA 1.512 57.597 56.048 0.062 0.000 1.244 114 H CB -0.479 29.313 29.762 0.050 0.000 1.355 114 H HN 0.067 nan 8.280 nan 0.000 0.485 115 L N 1.379 122.713 121.223 0.185 0.000 2.010 115 L HA -0.271 4.068 4.340 -0.000 0.000 0.219 115 L C 2.604 179.521 176.870 0.078 0.000 1.077 115 L CA 1.737 56.644 54.840 0.112 0.000 0.773 115 L CB -0.677 41.447 42.059 0.108 0.000 0.892 115 L HN 0.149 nan 8.230 nan 0.000 0.436 116 K N 0.438 120.882 120.400 0.074 0.000 2.052 116 K HA -0.213 4.107 4.320 -0.000 0.000 0.215 116 K C 1.463 178.086 176.600 0.039 0.000 1.053 116 K CA 1.961 58.282 56.287 0.056 0.000 0.934 116 K CB -0.496 32.040 32.500 0.060 0.000 0.717 116 K HN 0.473 nan 8.250 nan 0.000 0.450 117 R N 1.535 122.050 120.500 0.025 0.000 4.031 117 R HA 0.102 4.441 4.340 -0.000 0.000 0.269 117 R C -0.486 175.829 176.300 0.024 0.000 1.668 117 R CA 0.070 56.181 56.100 0.019 0.000 1.432 117 R CB 0.076 30.378 30.300 0.004 0.000 1.374 117 R HN 0.062 nan 8.270 nan 0.000 0.681 118 D N -0.024 120.393 120.400 0.028 0.000 2.556 118 D HA 0.123 4.762 4.640 -0.000 0.000 0.237 118 D C 0.953 177.258 176.300 0.009 0.000 1.296 118 D CA 0.120 54.131 54.000 0.019 0.000 0.807 118 D CB 1.084 41.897 40.800 0.022 0.000 1.084 118 D HN 0.347 nan 8.370 nan 0.000 0.510 119 G N 1.485 110.295 108.800 0.017 0.000 2.225 119 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.267 119 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.267 119 G C 0.940 175.855 174.900 0.025 0.000 1.024 119 G CA 0.490 45.601 45.100 0.018 0.000 0.784 119 G HN 0.440 nan 8.290 nan 0.000 0.507 120 L N -0.829 120.413 121.223 0.032 0.000 2.492 120 L HA 0.143 4.483 4.340 -0.000 0.000 0.223 120 L C 2.440 179.356 176.870 0.077 0.000 1.132 120 L CA 1.067 55.938 54.840 0.051 0.000 0.850 120 L CB -0.117 41.969 42.059 0.044 0.000 0.966 120 L HN 0.425 nan 8.230 nan 0.000 0.454 121 E N 0.888 121.121 120.200 0.054 0.000 2.065 121 E HA -0.292 4.058 4.350 -0.000 0.000 0.201 121 E C 1.706 178.331 176.600 0.042 0.000 1.016 121 E CA 2.044 58.469 56.400 0.041 0.000 0.818 121 E CB 0.074 29.791 29.700 0.029 0.000 0.749 121 E HN 0.392 nan 8.360 nan 0.000 0.453 122 D N -1.004 119.427 120.400 0.051 0.000 2.097 122 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 122 D C 1.802 178.137 176.300 0.059 0.000 0.989 122 D CA 1.103 55.127 54.000 0.040 0.000 0.827 122 D CB -0.387 40.434 40.800 0.035 0.000 0.966 122 D HN 0.295 nan 8.370 nan 0.000 0.456 123 Y N 1.970 122.249 120.300 -0.035 0.000 2.193 123 Y HA -0.231 4.319 4.550 -0.001 0.000 0.285 123 Y C 2.267 178.143 175.900 -0.040 0.000 1.166 123 Y CA 1.340 59.416 58.100 -0.040 0.000 1.181 123 Y CB -0.105 38.337 38.460 -0.031 0.000 0.976 123 Y HN -0.058 nan 8.280 nan 0.000 0.520 124 I N -0.395 120.235 120.570 0.099 0.000 2.163 124 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 124 I C 2.477 178.539 176.117 -0.092 0.000 1.081 124 I CA 1.542 62.841 61.300 -0.002 0.000 1.353 124 I CB -1.239 36.770 38.000 0.015 0.000 1.054 124 I HN 0.142 nan 8.210 nan 0.000 0.407 125 R N 0.943 121.402 120.500 -0.068 0.000 2.127 125 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 125 R C 2.460 178.707 176.300 -0.088 0.000 1.134 125 R CA 1.803 57.853 56.100 -0.082 0.000 0.975 125 R CB 0.078 30.344 30.300 -0.056 0.000 0.865 125 R HN 0.318 nan 8.270 nan 0.000 0.447 126 S N -0.427 115.200 115.700 -0.121 0.000 2.421 126 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 126 S C 1.180 175.655 174.600 -0.208 0.000 1.035 126 S CA 0.999 59.100 58.200 -0.166 0.000 0.953 126 S CB 0.032 63.109 63.200 -0.205 0.000 0.810 126 S HN 0.482 nan 8.310 nan 0.000 0.497 127 N N 0.495 119.012 118.700 -0.305 0.000 2.454 127 N HA 0.012 4.751 4.740 -0.000 0.000 0.177 127 N C 1.646 177.133 175.510 -0.039 0.000 1.049 127 N CA 1.165 54.047 53.050 -0.280 0.000 0.887 127 N CB 0.179 38.260 38.487 -0.676 0.000 1.095 127 N HN 0.429 nan 8.380 nan 0.000 0.446 128 T N -3.673 110.827 114.554 -0.089 0.000 3.040 128 T HA 0.318 4.667 4.350 -0.000 0.000 0.252 128 T C 1.694 176.350 174.700 -0.072 0.000 1.064 128 T CA 0.593 62.663 62.100 -0.051 0.000 1.110 128 T CB 0.379 69.194 68.868 -0.087 0.000 0.921 128 T HN 0.216 nan 8.240 nan 0.000 0.480 129 G N 1.309 110.060 108.800 -0.083 0.000 2.199 129 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.254 129 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.254 129 G C 0.256 175.060 174.900 -0.161 0.000 0.982 129 G CA 0.410 45.456 45.100 -0.090 0.000 0.632 129 G HN 0.550 nan 8.290 nan 0.000 0.529 130 L N -1.116 119.946 121.223 -0.267 0.000 2.788 130 L HA 0.819 5.158 4.340 -0.000 0.000 0.151 130 L C 1.030 177.703 176.870 -0.329 0.000 1.548 130 L CA -0.491 54.076 54.840 -0.456 0.000 2.184 130 L CB 0.043 41.550 42.059 -0.920 0.000 2.730 130 L HN 0.113 nan 8.230 nan 0.000 0.588 131 V N -0.495 119.192 119.914 -0.380 0.000 3.167 131 V HA 0.285 4.405 4.120 -0.000 0.000 0.293 131 V C -0.816 175.259 176.094 -0.031 0.000 1.379 131 V CA -0.621 61.551 62.300 -0.212 0.000 1.019 131 V CB 2.592 34.185 31.823 -0.383 0.000 1.115 131 V HN 0.345 nan 8.190 nan 0.000 0.442 132 I N 4.603 125.188 120.570 0.025 0.000 2.436 132 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 132 I C -0.294 175.942 176.117 0.197 0.000 1.083 132 I CA 0.755 62.131 61.300 0.127 0.000 1.372 132 I CB 0.280 38.342 38.000 0.104 0.000 1.408 132 I HN 0.588 nan 8.210 nan 0.000 0.516 133 D N 8.330 128.918 120.400 0.314 0.000 2.706 133 D HA 0.173 4.812 4.640 -0.000 0.000 0.227 133 D C -2.548 173.886 176.300 0.223 0.000 1.233 133 D CA -1.207 52.962 54.000 0.282 0.000 0.768 133 D CB 2.836 43.836 40.800 0.333 0.000 1.490 133 D HN 0.026 nan 8.370 nan 0.000 0.458 134 P HA -0.035 nan 4.420 nan 0.000 0.242 134 P C 1.169 178.496 177.300 0.044 0.000 1.197 134 P CA 0.252 63.392 63.100 0.067 0.000 0.765 134 P CB -0.126 31.568 31.700 -0.009 0.000 0.936 135 Y N 1.317 121.474 120.300 -0.239 0.000 2.053 135 Y HA -0.162 4.388 4.550 -0.000 0.000 0.277 135 Y C 0.697 176.358 175.900 -0.399 0.000 1.159 135 Y CA 0.509 58.339 58.100 -0.450 0.000 1.125 135 Y CB -1.344 36.647 38.460 -0.783 0.000 0.969 135 Y HN -0.175 nan 8.280 nan 0.000 0.492 136 F N -0.115 119.939 119.950 0.173 0.000 2.389 136 F HA 0.239 4.766 4.527 -0.001 0.000 0.337 136 F C 1.798 177.643 175.800 0.075 0.000 1.112 136 F CA 0.029 58.038 58.000 0.014 0.000 1.192 136 F CB 0.284 39.258 39.000 -0.043 0.000 1.185 136 F HN -0.257 nan 8.300 nan 0.000 0.552 137 S N 1.690 117.554 115.700 0.273 0.000 2.374 137 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 137 S C 2.400 177.087 174.600 0.146 0.000 1.037 137 S CA 1.344 59.671 58.200 0.212 0.000 1.024 137 S CB -1.032 62.335 63.200 0.277 0.000 0.861 137 S HN 1.015 nan 8.310 nan 0.000 0.456 138 G N 2.593 111.468 108.800 0.126 0.000 2.833 138 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.226 138 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.226 138 G C 1.636 176.561 174.900 0.042 0.000 1.228 138 G CA 2.749 47.877 45.100 0.046 0.000 0.779 138 G HN 0.626 nan 8.290 nan 0.000 0.651 139 T N -0.071 114.537 114.554 0.090 0.000 2.649 139 T HA -0.229 4.120 4.350 -0.000 0.000 0.268 139 T C 2.116 176.877 174.700 0.102 0.000 1.036 139 T CA 1.928 64.087 62.100 0.097 0.000 1.157 139 T CB -0.386 68.552 68.868 0.117 0.000 0.861 139 T HN 0.460 nan 8.240 nan 0.000 0.445 140 K N 0.732 121.179 120.400 0.079 0.000 2.001 140 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 140 K C 2.486 179.153 176.600 0.111 0.000 1.050 140 K CA 1.734 58.053 56.287 0.053 0.000 0.934 140 K CB -0.848 31.676 32.500 0.040 0.000 0.718 140 K HN 0.271 nan 8.250 nan 0.000 0.443 141 V N 1.796 121.756 119.914 0.076 0.000 2.250 141 V HA -0.364 3.755 4.120 -0.000 0.000 0.250 141 V C 2.358 178.458 176.094 0.010 0.000 1.060 141 V CA 2.326 64.641 62.300 0.026 0.000 1.030 141 V CB -0.702 31.040 31.823 -0.135 0.000 0.643 141 V HN 0.404 nan 8.190 nan 0.000 0.445 142 K N -0.658 119.741 120.400 -0.002 0.000 1.977 142 K HA -0.314 4.006 4.320 -0.000 0.000 0.218 142 K C 1.986 178.570 176.600 -0.027 0.000 1.051 142 K CA 2.441 58.706 56.287 -0.036 0.000 0.953 142 K CB -0.631 31.853 32.500 -0.026 0.000 0.727 142 K HN 0.468 nan 8.250 nan 0.000 0.445 143 W N 1.034 122.268 121.300 -0.109 0.000 2.272 143 W HA -0.387 4.273 4.660 -0.001 0.000 0.344 143 W C 1.707 178.180 176.519 -0.077 0.000 1.390 143 W CA 2.722 60.022 57.345 -0.075 0.000 1.331 143 W CB -0.670 28.747 29.460 -0.073 0.000 1.103 143 W HN 0.266 nan 8.180 nan 0.000 0.470 144 I N -0.263 120.513 120.570 0.344 0.000 2.069 144 I HA -0.385 3.785 4.170 -0.000 0.000 0.237 144 I C 2.428 178.458 176.117 -0.146 0.000 1.053 144 I CA 1.581 62.943 61.300 0.102 0.000 1.311 144 I CB -1.529 36.528 38.000 0.094 0.000 1.030 144 I HN 0.037 nan 8.210 nan 0.000 0.398 145 L N 0.563 121.713 121.223 -0.123 0.000 2.026 145 L HA -0.319 4.021 4.340 -0.000 0.000 0.231 145 L C 2.026 178.730 176.870 -0.276 0.000 1.095 145 L CA 2.207 56.944 54.840 -0.172 0.000 0.810 145 L CB -1.672 40.289 42.059 -0.163 0.000 0.909 145 L HN 0.426 nan 8.230 nan 0.000 0.444 146 D N -2.292 117.856 120.400 -0.420 0.000 2.392 146 D HA -0.128 4.512 4.640 -0.000 0.000 0.228 146 D C 1.738 177.508 176.300 -0.882 0.000 1.003 146 D CA 0.627 54.270 54.000 -0.595 0.000 0.917 146 D CB -0.306 40.088 40.800 -0.677 0.000 0.890 146 D HN 0.516 nan 8.370 nan 0.000 0.532 147 H N -0.522 118.265 119.070 -0.471 0.000 2.750 147 H HA 0.196 4.752 4.556 -0.001 0.000 0.263 147 H C 0.452 175.653 175.328 -0.212 0.000 0.964 147 H CA 0.071 55.838 56.048 -0.469 0.000 1.205 147 H CB 1.031 30.284 29.762 -0.849 0.000 1.454 147 H HN -0.006 nan 8.280 nan 0.000 0.503 148 V N 1.050 120.912 119.914 -0.087 0.000 2.716 148 V HA 0.113 4.233 4.120 -0.000 0.000 0.304 148 V C 1.403 177.464 176.094 -0.055 0.000 1.053 148 V CA -0.625 61.666 62.300 -0.016 0.000 0.984 148 V CB 2.557 34.391 31.823 0.020 0.000 1.021 148 V HN 0.032 nan 8.190 nan 0.000 0.467 149 E N 3.432 123.616 120.200 -0.025 0.000 2.001 149 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 149 E C 2.099 178.672 176.600 -0.046 0.000 0.994 149 E CA 1.814 58.192 56.400 -0.036 0.000 0.815 149 E CB -0.637 29.055 29.700 -0.014 0.000 0.770 149 E HN 0.931 nan 8.360 nan 0.000 0.453 150 G N 0.842 109.622 108.800 -0.033 0.000 2.511 150 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.217 150 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.217 150 G C 1.481 176.350 174.900 -0.053 0.000 1.133 150 G CA 1.321 46.398 45.100 -0.039 0.000 0.792 150 G HN 0.316 nan 8.290 nan 0.000 0.539 151 S N 1.691 117.358 115.700 -0.054 0.000 2.331 151 S HA -0.462 4.007 4.470 -0.000 0.000 0.358 151 S C 2.139 176.690 174.600 -0.082 0.000 1.150 151 S CA 1.860 60.020 58.200 -0.067 0.000 1.766 151 S CB -0.839 62.315 63.200 -0.078 0.000 1.490 151 S HN 0.508 nan 8.310 nan 0.000 0.490 152 R N 1.285 121.729 120.500 -0.093 0.000 2.113 152 R HA -0.132 4.208 4.340 -0.000 0.000 0.244 152 R C 2.399 178.651 176.300 -0.081 0.000 1.142 152 R CA 1.619 57.662 56.100 -0.096 0.000 0.953 152 R CB -0.749 29.491 30.300 -0.100 0.000 0.860 152 R HN 0.524 nan 8.270 nan 0.000 0.438 153 E N 0.919 121.079 120.200 -0.068 0.000 1.998 153 E HA -0.238 4.111 4.350 -0.000 0.000 0.221 153 E C 1.930 178.495 176.600 -0.058 0.000 1.018 153 E CA 1.818 58.184 56.400 -0.056 0.000 0.891 153 E CB -0.556 29.117 29.700 -0.045 0.000 0.807 153 E HN 0.403 nan 8.360 nan 0.000 0.523 154 R N 0.840 121.308 120.500 -0.054 0.000 2.133 154 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 154 R C 2.310 178.563 176.300 -0.078 0.000 1.151 154 R CA 1.542 57.607 56.100 -0.058 0.000 0.971 154 R CB -0.879 29.391 30.300 -0.051 0.000 0.866 154 R HN 0.201 nan 8.270 nan 0.000 0.447 155 A N 2.036 124.802 122.820 -0.089 0.000 1.896 155 A HA -0.311 4.008 4.320 -0.000 0.000 0.220 155 A C 2.330 179.853 177.584 -0.103 0.000 1.206 155 A CA 2.182 54.152 52.037 -0.112 0.000 0.647 155 A CB -0.621 18.309 19.000 -0.117 0.000 0.828 155 A HN 0.357 nan 8.150 nan 0.000 0.455 156 R N 0.109 120.558 120.500 -0.084 0.000 2.073 156 R HA -0.084 4.255 4.340 -0.000 0.000 0.234 156 R C 1.843 178.110 176.300 -0.055 0.000 1.134 156 R CA 1.534 57.592 56.100 -0.069 0.000 0.952 156 R CB -0.257 30.006 30.300 -0.061 0.000 0.850 156 R HN 0.603 nan 8.270 nan 0.000 0.433 157 R N 0.260 120.730 120.500 -0.050 0.000 2.526 157 R HA 0.120 4.459 4.340 -0.000 0.000 0.223 157 R C 0.494 176.768 176.300 -0.043 0.000 1.250 157 R CA 0.763 56.840 56.100 -0.039 0.000 1.227 157 R CB -0.893 29.390 30.300 -0.029 0.000 1.109 157 R HN 0.403 nan 8.270 nan 0.000 0.499 158 G N 1.820 110.584 108.800 -0.059 0.000 2.361 158 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.294 158 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.294 158 G C 0.617 175.466 174.900 -0.085 0.000 1.004 158 G CA 1.030 46.086 45.100 -0.072 0.000 0.870 158 G HN 0.600 nan 8.290 nan 0.000 0.510 159 E N -1.334 118.815 120.200 -0.084 0.000 2.230 159 E HA 0.251 4.600 4.350 -0.000 0.000 0.192 159 E C 1.217 177.739 176.600 -0.130 0.000 0.987 159 E CA 0.175 56.528 56.400 -0.077 0.000 0.841 159 E CB 0.052 29.721 29.700 -0.053 0.000 0.783 159 E HN 0.574 nan 8.360 nan 0.000 0.481 160 L N 1.495 122.612 121.223 -0.177 0.000 2.334 160 L HA 0.438 4.777 4.340 -0.000 0.000 0.276 160 L C -0.647 175.983 176.870 -0.400 0.000 1.014 160 L CA -0.732 53.950 54.840 -0.263 0.000 0.815 160 L CB 1.733 43.680 42.059 -0.186 0.000 1.268 160 L HN 0.069 nan 8.230 nan 0.000 0.428 161 L N 2.742 123.540 121.223 -0.708 0.000 2.346 161 L HA 0.541 4.881 4.340 -0.000 0.000 0.274 161 L C -1.166 175.081 176.870 -1.038 0.000 1.007 161 L CA -0.639 53.563 54.840 -1.063 0.000 0.818 161 L CB 2.316 43.300 42.059 -1.792 0.000 1.284 161 L HN 0.442 nan 8.230 nan 0.000 0.424 162 F N 2.251 121.756 119.950 -0.740 0.000 2.551 162 F HA 0.849 5.376 4.527 -0.001 0.000 0.316 162 F C -0.283 175.520 175.800 0.005 0.000 1.089 162 F CA -0.323 57.460 58.000 -0.361 0.000 0.915 162 F CB 2.073 40.959 39.000 -0.191 0.000 1.186 162 F HN 0.378 nan 8.300 nan 0.000 0.456 163 G N 2.165 110.423 108.800 -0.903 0.000 2.601 163 G HA2 0.463 4.423 3.960 -0.000 0.000 0.291 163 G HA3 0.463 4.423 3.960 -0.000 0.000 0.291 163 G C -1.150 173.367 174.900 -0.639 0.000 1.456 163 G CA -0.344 44.217 45.100 -0.898 0.000 0.804 163 G HN 0.883 nan 8.290 nan 0.000 0.499 164 T N -1.610 112.685 114.554 -0.431 0.000 2.770 164 T HA 0.432 4.782 4.350 -0.000 0.000 0.281 164 T C 1.679 176.361 174.700 -0.031 0.000 0.981 164 T CA 0.172 62.181 62.100 -0.153 0.000 0.955 164 T CB 1.057 69.888 68.868 -0.061 0.000 1.060 164 T HN 0.539 nan 8.240 nan 0.000 0.531 165 V N 2.245 122.171 119.914 0.021 0.000 2.233 165 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 165 V C 2.823 178.988 176.094 0.119 0.000 1.050 165 V CA 2.538 64.900 62.300 0.103 0.000 1.010 165 V CB -1.214 30.673 31.823 0.107 0.000 0.637 165 V HN 1.106 nan 8.190 nan 0.000 0.444 166 D N 0.082 120.506 120.400 0.039 0.000 2.177 166 D HA -0.291 4.349 4.640 -0.000 0.000 0.189 166 D C 1.911 178.210 176.300 -0.000 0.000 1.002 166 D CA 2.601 56.598 54.000 -0.005 0.000 0.845 166 D CB -1.364 39.396 40.800 -0.066 0.000 0.960 166 D HN 0.396 nan 8.370 nan 0.000 0.447 167 T N -0.270 114.282 114.554 -0.003 0.000 2.680 167 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 167 T C 1.418 176.209 174.700 0.153 0.000 1.033 167 T CA 1.840 63.969 62.100 0.049 0.000 1.152 167 T CB -0.666 68.210 68.868 0.013 0.000 0.859 167 T HN 0.478 nan 8.240 nan 0.000 0.452 168 W N 1.199 122.415 121.300 -0.140 0.000 2.418 168 W HA -0.055 4.605 4.660 -0.000 0.000 0.292 168 W C 1.418 177.746 176.519 -0.317 0.000 1.213 168 W CA 0.157 57.284 57.345 -0.362 0.000 1.283 168 W CB -0.387 28.799 29.460 -0.457 0.000 1.119 168 W HN 0.107 nan 8.180 nan 0.000 0.542 169 L N 1.478 122.551 121.223 -0.250 0.000 1.955 169 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 169 L C 2.606 179.269 176.870 -0.345 0.000 1.072 169 L CA 1.834 56.459 54.840 -0.358 0.000 0.755 169 L CB -1.729 40.303 42.059 -0.045 0.000 0.888 169 L HN -0.008 nan 8.230 nan 0.000 0.432 170 I N -1.386 119.099 120.570 -0.141 0.000 2.087 170 I HA -0.393 3.777 4.170 -0.000 0.000 0.240 170 I C 2.485 178.547 176.117 -0.092 0.000 1.054 170 I CA 2.042 63.292 61.300 -0.083 0.000 1.311 170 I CB -0.474 37.509 38.000 -0.029 0.000 1.024 170 I HN 0.362 nan 8.210 nan 0.000 0.402 171 W N 1.598 122.754 121.300 -0.241 0.000 2.308 171 W HA -0.319 4.341 4.660 -0.000 0.000 0.301 171 W C 2.417 178.642 176.519 -0.490 0.000 1.220 171 W CA 1.690 58.894 57.345 -0.235 0.000 1.240 171 W CB 0.011 29.415 29.460 -0.093 0.000 1.142 171 W HN -0.080 nan 8.180 nan 0.000 0.521 172 K N -0.225 119.855 120.400 -0.533 0.000 1.991 172 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 172 K C 2.026 178.236 176.600 -0.650 0.000 1.045 172 K CA 2.134 57.806 56.287 -1.025 0.000 0.937 172 K CB -1.414 29.690 32.500 -2.327 0.000 0.720 172 K HN 0.298 nan 8.250 nan 0.000 0.438 173 M N 0.864 120.221 119.600 -0.405 0.000 2.089 173 M HA -0.141 4.338 4.480 -0.000 0.000 0.257 173 M C 1.820 178.031 176.300 -0.148 0.000 1.071 173 M CA 2.359 57.584 55.300 -0.125 0.000 1.096 173 M CB -1.827 30.756 32.600 -0.028 0.000 1.330 173 M HN 0.156 nan 8.290 nan 0.000 0.403 174 T N -1.682 112.754 114.554 -0.197 0.000 3.312 174 T HA 0.197 4.547 4.350 -0.000 0.000 0.251 174 T C 0.865 175.375 174.700 -0.316 0.000 1.012 174 T CA -0.078 61.909 62.100 -0.188 0.000 0.925 174 T CB -0.150 68.646 68.868 -0.120 0.000 1.049 174 T HN 0.551 nan 8.240 nan 0.000 0.583 175 Q N -0.207 119.350 119.800 -0.405 0.000 2.026 175 Q HA -0.304 4.035 4.340 -0.000 0.000 0.155 175 Q C 1.270 176.730 176.000 -0.899 0.000 0.702 175 Q CA 1.982 57.468 55.803 -0.528 0.000 1.507 175 Q CB -2.176 26.373 28.738 -0.315 0.000 1.645 175 Q HN 0.984 nan 8.270 nan 0.000 0.824 176 G N -1.057 107.210 108.800 -0.888 0.000 4.106 176 G HA2 0.003 3.963 3.960 -0.000 0.000 0.220 176 G HA3 0.003 3.963 3.960 -0.000 0.000 0.220 176 G C 0.679 175.307 174.900 -0.452 0.000 0.853 176 G CA 0.136 44.567 45.100 -1.115 0.000 0.920 176 G HN 0.146 nan 8.290 nan 0.000 0.715 177 R N -0.005 120.320 120.500 -0.291 0.000 2.075 177 R HA 0.150 4.490 4.340 -0.000 0.000 0.230 177 R C 0.979 177.286 176.300 0.011 0.000 1.140 177 R CA 1.801 57.840 56.100 -0.101 0.000 0.928 177 R CB -0.301 29.956 30.300 -0.072 0.000 0.834 177 R HN 0.292 nan 8.270 nan 0.000 0.429 178 V N 0.516 120.454 119.914 0.040 0.000 2.481 178 V HA 0.174 4.294 4.120 -0.000 0.000 0.286 178 V C -0.641 175.642 176.094 0.316 0.000 1.042 178 V CA -0.712 61.677 62.300 0.148 0.000 0.928 178 V CB 1.361 33.247 31.823 0.106 0.000 0.986 178 V HN 0.273 nan 8.190 nan 0.000 0.462 179 H N 3.005 122.209 119.070 0.222 0.000 2.541 179 H HA 0.750 5.306 4.556 -0.001 0.000 0.246 179 H C -0.908 174.533 175.328 0.188 0.000 1.341 179 H CA -0.131 56.083 56.048 0.277 0.000 1.469 179 H CB 1.055 31.001 29.762 0.307 0.000 1.472 179 H HN 0.585 nan 8.280 nan 0.000 0.503 180 V N 2.781 122.696 119.914 0.000 0.000 3.105 180 V HA 0.782 4.902 4.120 -0.000 0.000 0.311 180 V C -0.813 175.192 176.094 -0.148 0.000 1.287 180 V CA -0.263 61.987 62.300 -0.084 0.000 1.066 180 V CB 2.498 34.288 31.823 -0.056 0.000 1.105 180 V HN 0.690 nan 8.190 nan 0.000 0.462 181 T N 0.543 114.991 114.554 -0.178 0.000 2.775 181 T HA 0.341 4.691 4.350 -0.000 0.000 0.320 181 T C -2.022 172.511 174.700 -0.278 0.000 1.597 181 T CA -0.235 61.739 62.100 -0.209 0.000 1.022 181 T CB 1.459 70.266 68.868 -0.101 0.000 1.485 181 T HN 1.067 nan 8.240 nan 0.000 0.494 182 D N 0.711 120.934 120.400 -0.296 0.000 2.529 182 D HA 0.240 4.880 4.640 -0.000 0.000 0.273 182 D C 0.681 176.814 176.300 -0.278 0.000 1.197 182 D CA -0.321 53.466 54.000 -0.355 0.000 1.070 182 D CB 0.412 41.041 40.800 -0.286 0.000 1.134 182 D HN 0.438 nan 8.370 nan 0.000 0.590 183 Y N -0.028 120.143 120.300 -0.215 0.000 2.163 183 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 183 Y C 2.908 178.592 175.900 -0.361 0.000 1.136 183 Y CA 1.865 59.776 58.100 -0.314 0.000 1.147 183 Y CB -1.580 36.773 38.460 -0.177 0.000 0.987 183 Y HN 0.589 nan 8.280 nan 0.000 0.509 184 T N -1.271 113.242 114.554 -0.068 0.000 2.597 184 T HA -0.300 4.050 4.350 -0.000 0.000 0.267 184 T C 1.735 176.346 174.700 -0.149 0.000 1.053 184 T CA 1.950 63.983 62.100 -0.112 0.000 1.165 184 T CB -0.964 67.839 68.868 -0.108 0.000 0.863 184 T HN 0.433 nan 8.240 nan 0.000 0.427 185 N N 1.915 120.524 118.700 -0.150 0.000 2.043 185 N HA -0.086 4.654 4.740 -0.000 0.000 0.193 185 N C 2.469 177.886 175.510 -0.156 0.000 1.037 185 N CA 1.211 54.183 53.050 -0.130 0.000 0.851 185 N CB -0.452 37.967 38.487 -0.112 0.000 1.027 185 N HN 0.569 nan 8.380 nan 0.000 0.422 186 A N 1.210 123.867 122.820 -0.271 0.000 1.903 186 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 186 A C 2.321 179.624 177.584 -0.468 0.000 1.191 186 A CA 2.288 54.057 52.037 -0.447 0.000 0.638 186 A CB -1.109 17.280 19.000 -1.020 0.000 0.823 186 A HN 0.422 nan 8.150 nan 0.000 0.451 187 S N -0.751 114.647 115.700 -0.504 0.000 2.423 187 S HA -0.238 4.231 4.470 -0.000 0.000 0.238 187 S C 1.939 176.466 174.600 -0.122 0.000 1.028 187 S CA 1.558 59.595 58.200 -0.273 0.000 1.000 187 S CB -0.419 62.678 63.200 -0.173 0.000 0.797 187 S HN 0.532 nan 8.310 nan 0.000 0.487 188 R N 0.795 121.236 120.500 -0.097 0.000 2.275 188 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 188 R C 2.522 178.865 176.300 0.073 0.000 0.989 188 R CA 1.305 57.391 56.100 -0.024 0.000 1.016 188 R CB -1.479 28.800 30.300 -0.034 0.000 0.918 188 R HN 0.822 nan 8.270 nan 0.000 0.473 189 T N -2.497 112.122 114.554 0.108 0.000 2.985 189 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 189 T C 1.364 176.162 174.700 0.163 0.000 1.076 189 T CA 0.966 63.187 62.100 0.202 0.000 1.135 189 T CB -0.002 69.050 68.868 0.308 0.000 0.890 189 T HN 0.284 nan 8.240 nan 0.000 0.480 190 M N -0.465 119.185 119.600 0.083 0.000 2.965 190 M HA -0.156 4.323 4.480 -0.000 0.000 0.213 190 M C -1.122 175.251 176.300 0.121 0.000 0.564 190 M CA 0.579 55.894 55.300 0.025 0.000 0.784 190 M CB -1.541 31.059 32.600 0.001 0.000 2.816 190 M HN 0.448 nan 8.290 nan 0.000 0.409 191 L N -0.288 121.075 121.223 0.233 0.000 3.291 191 L HA 0.557 4.896 4.340 -0.000 0.000 0.307 191 L C -0.555 176.645 176.870 0.551 0.000 1.303 191 L CA -0.254 54.769 54.840 0.305 0.000 0.949 191 L CB 0.649 42.832 42.059 0.206 0.000 1.375 191 L HN 0.294 nan 8.230 nan 0.000 0.596 192 F N 0.604 120.655 119.950 0.169 0.000 2.689 192 F HA 0.445 4.972 4.527 -0.001 0.000 0.332 192 F C -0.680 175.102 175.800 -0.031 0.000 1.209 192 F CA -0.882 57.156 58.000 0.063 0.000 1.028 192 F CB 1.176 40.141 39.000 -0.058 0.000 1.291 192 F HN 0.065 nan 8.300 nan 0.000 0.500 193 N N 6.062 124.601 118.700 -0.269 0.000 2.468 193 N HA 0.122 4.862 4.740 -0.000 0.000 0.265 193 N C 0.554 175.862 175.510 -0.338 0.000 1.199 193 N CA 0.161 53.081 53.050 -0.218 0.000 0.928 193 N CB 0.786 39.159 38.487 -0.191 0.000 1.059 193 N HN 0.819 nan 8.380 nan 0.000 0.467 194 I N 1.154 121.706 120.570 -0.030 0.000 3.874 194 I HA 0.270 4.440 4.170 -0.000 0.000 0.331 194 I C -0.656 175.270 176.117 -0.318 0.000 1.489 194 I CA -0.436 60.794 61.300 -0.117 0.000 1.187 194 I CB -0.179 37.799 38.000 -0.037 0.000 1.150 194 I HN 0.312 nan 8.210 nan 0.000 0.412 195 H N -1.321 117.662 119.070 -0.145 0.000 2.947 195 H HA 0.490 5.046 4.556 -0.001 0.000 0.222 195 H C 0.201 175.428 175.328 -0.169 0.000 1.414 195 H CA -0.774 55.206 56.048 -0.113 0.000 1.224 195 H CB 0.074 29.768 29.762 -0.112 0.000 2.100 195 H HN 0.175 nan 8.280 nan 0.000 0.524 196 T N 0.156 114.630 114.554 -0.133 0.000 3.414 196 T HA -0.014 4.336 4.350 -0.000 0.000 0.271 196 T C -0.506 173.946 174.700 -0.412 0.000 0.866 196 T CA -0.207 61.754 62.100 -0.232 0.000 0.784 196 T CB 0.127 68.859 68.868 -0.227 0.000 1.231 196 T HN 0.150 nan 8.240 nan 0.000 0.797 197 L N 2.618 123.501 121.223 -0.567 0.000 3.833 197 L HA -0.114 4.225 4.340 -0.000 0.000 0.447 197 L C -0.283 175.960 176.870 -1.045 0.000 1.213 197 L CA 1.311 55.670 54.840 -0.802 0.000 0.801 197 L CB -2.496 39.246 42.059 -0.528 0.000 1.676 197 L HN 0.551 nan 8.230 nan 0.000 0.883 198 D N -2.479 117.026 120.400 -1.492 0.000 2.653 198 D HA 0.462 5.101 4.640 -0.000 0.000 0.258 198 D C -0.318 175.532 176.300 -0.751 0.000 1.252 198 D CA -0.496 52.894 54.000 -1.017 0.000 0.777 198 D CB 0.597 41.155 40.800 -0.402 0.000 1.339 198 D HN 0.072 nan 8.370 nan 0.000 0.422 199 W N 0.931 122.174 121.300 -0.094 0.000 2.317 199 W HA 0.142 4.802 4.660 -0.001 0.000 0.350 199 W C 0.659 177.158 176.519 -0.033 0.000 1.258 199 W CA 0.196 57.560 57.345 0.032 0.000 1.336 199 W CB 0.311 29.817 29.460 0.076 0.000 1.201 199 W HN 0.104 nan 8.180 nan 0.000 0.599 200 D N 1.158 121.745 120.400 0.313 0.000 2.505 200 D HA 0.075 4.715 4.640 -0.000 0.000 0.250 200 D C 0.133 176.531 176.300 0.163 0.000 1.164 200 D CA -0.325 53.787 54.000 0.185 0.000 0.870 200 D CB 1.129 42.030 40.800 0.168 0.000 1.160 200 D HN 0.420 nan 8.370 nan 0.000 0.549 201 D N 3.332 123.805 120.400 0.121 0.000 2.127 201 D HA -0.251 4.389 4.640 -0.000 0.000 0.190 201 D C 1.801 178.124 176.300 0.038 0.000 1.000 201 D CA 1.015 55.055 54.000 0.066 0.000 0.839 201 D CB 0.183 41.012 40.800 0.047 0.000 0.955 201 D HN 0.301 nan 8.370 nan 0.000 0.446 202 K N -0.151 120.273 120.400 0.039 0.000 2.005 202 K HA -0.258 4.062 4.320 -0.000 0.000 0.229 202 K C 2.117 178.707 176.600 -0.017 0.000 1.050 202 K CA 1.750 58.007 56.287 -0.049 0.000 0.994 202 K CB -0.483 31.916 32.500 -0.169 0.000 0.736 202 K HN 0.178 nan 8.250 nan 0.000 0.448 203 M N 0.728 120.369 119.600 0.069 0.000 2.151 203 M HA -0.234 4.246 4.480 -0.000 0.000 0.256 203 M C 2.455 178.763 176.300 0.012 0.000 1.072 203 M CA 1.612 56.953 55.300 0.070 0.000 1.090 203 M CB -1.437 31.248 32.600 0.141 0.000 1.294 203 M HN 0.234 nan 8.290 nan 0.000 0.415 204 L N -0.199 121.032 121.223 0.013 0.000 2.064 204 L HA -0.295 4.044 4.340 -0.000 0.000 0.216 204 L C 2.506 179.340 176.870 -0.060 0.000 1.077 204 L CA 2.095 56.909 54.840 -0.044 0.000 0.766 204 L CB -0.806 41.235 42.059 -0.031 0.000 0.890 204 L HN 0.494 nan 8.230 nan 0.000 0.435 205 E N -0.967 119.206 120.200 -0.044 0.000 2.030 205 E HA -0.134 4.216 4.350 -0.000 0.000 0.189 205 E C 2.177 178.742 176.600 -0.057 0.000 0.974 205 E CA 0.794 57.161 56.400 -0.055 0.000 0.807 205 E CB -0.698 28.971 29.700 -0.051 0.000 0.771 205 E HN 0.101 nan 8.360 nan 0.000 0.451 206 V N 1.734 121.617 119.914 -0.052 0.000 2.313 206 V HA -0.280 3.840 4.120 -0.000 0.000 0.253 206 V C 2.285 178.354 176.094 -0.041 0.000 1.070 206 V CA 1.795 64.067 62.300 -0.047 0.000 1.057 206 V CB -0.370 31.426 31.823 -0.045 0.000 0.653 206 V HN 0.333 nan 8.190 nan 0.000 0.450 207 L N -0.941 120.257 121.223 -0.041 0.000 2.492 207 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 207 L C 0.967 177.789 176.870 -0.079 0.000 1.132 207 L CA 0.788 55.598 54.840 -0.049 0.000 0.850 207 L CB -0.388 41.644 42.059 -0.044 0.000 0.966 207 L HN 0.450 nan 8.230 nan 0.000 0.454 208 D N 0.776 121.126 120.400 -0.083 0.000 2.718 208 D HA -0.192 4.448 4.640 -0.000 0.000 0.242 208 D C -0.592 175.635 176.300 -0.121 0.000 1.123 208 D CA 0.515 54.457 54.000 -0.096 0.000 0.690 208 D CB -0.981 39.762 40.800 -0.095 0.000 1.059 208 D HN 0.148 nan 8.370 nan 0.000 0.429 209 I N 0.902 121.388 120.570 -0.139 0.000 2.433 209 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 209 I C -2.018 173.986 176.117 -0.187 0.000 1.001 209 I CA -1.962 59.225 61.300 -0.189 0.000 1.119 209 I CB 2.076 39.922 38.000 -0.257 0.000 1.289 209 I HN -0.137 nan 8.210 nan 0.000 0.438 210 P HA 0.235 nan 4.420 nan 0.000 0.282 210 P C 0.428 177.612 177.300 -0.193 0.000 1.274 210 P CA -0.553 62.453 63.100 -0.158 0.000 0.770 210 P CB 0.804 32.426 31.700 -0.130 0.000 0.867 211 R N 2.431 122.826 120.500 -0.174 0.000 2.276 211 R HA -0.188 4.151 4.340 -0.000 0.000 0.243 211 R C 0.614 176.831 176.300 -0.139 0.000 1.161 211 R CA 1.498 57.486 56.100 -0.188 0.000 1.007 211 R CB -0.062 30.180 30.300 -0.096 0.000 0.867 211 R HN 0.491 nan 8.270 nan 0.000 0.472 212 E N -0.409 119.727 120.200 -0.107 0.000 2.285 212 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 212 E C 1.704 178.261 176.600 -0.073 0.000 0.997 212 E CA 1.011 57.371 56.400 -0.067 0.000 0.845 212 E CB -0.124 29.537 29.700 -0.066 0.000 0.782 212 E HN 0.482 nan 8.360 nan 0.000 0.491 213 M N -0.923 118.607 119.600 -0.116 0.000 2.495 213 M HA 0.245 4.724 4.480 -0.000 0.000 0.237 213 M C -0.338 176.016 176.300 0.089 0.000 1.131 213 M CA -0.061 55.178 55.300 -0.100 0.000 1.032 213 M CB 0.257 32.762 32.600 -0.157 0.000 1.513 213 M HN -0.128 nan 8.290 nan 0.000 0.488 214 L N 2.332 123.551 121.223 -0.006 0.000 2.439 214 L HA 0.544 4.884 4.340 -0.000 0.000 0.261 214 L C -2.223 174.796 176.870 0.249 0.000 1.153 214 L CA -1.853 52.994 54.840 0.012 0.000 0.808 214 L CB -0.130 41.555 42.059 -0.623 0.000 1.126 214 L HN 0.014 nan 8.230 nan 0.000 0.460 215 P HA 0.291 nan 4.420 nan 0.000 0.288 215 P C -0.911 176.518 177.300 0.216 0.000 1.297 215 P CA -0.907 61.997 63.100 -0.326 0.000 0.864 215 P CB 0.885 32.078 31.700 -0.844 0.000 1.237 216 E N -0.426 119.851 120.200 0.128 0.000 2.392 216 E HA 0.255 4.605 4.350 -0.000 0.000 0.259 216 E C -0.830 175.843 176.600 0.122 0.000 1.108 216 E CA -0.430 56.078 56.400 0.181 0.000 0.916 216 E CB 0.578 30.363 29.700 0.141 0.000 0.989 216 E HN 0.085 nan 8.360 nan 0.000 0.432 217 V N 5.278 125.256 119.914 0.106 0.000 2.350 217 V HA 0.373 4.493 4.120 -0.000 0.000 0.285 217 V C 0.190 176.265 176.094 -0.032 0.000 1.014 217 V CA -0.708 61.617 62.300 0.043 0.000 0.831 217 V CB 1.026 32.916 31.823 0.112 0.000 1.000 217 V HN 0.587 nan 8.190 nan 0.000 0.433 218 R N 2.926 123.258 120.500 -0.280 0.000 3.055 218 R HA 0.613 4.952 4.340 -0.000 0.000 0.231 218 R C 0.058 175.793 176.300 -0.942 0.000 1.443 218 R CA -1.050 54.830 56.100 -0.367 0.000 1.063 218 R CB 1.177 31.486 30.300 0.016 0.000 1.514 218 R HN 0.807 nan 8.270 nan 0.000 0.510 219 R N -0.449 119.752 120.500 -0.498 0.000 2.459 219 R HA 0.244 4.583 4.340 -0.000 0.000 0.281 219 R C 0.289 176.497 176.300 -0.152 0.000 1.050 219 R CA -0.115 55.727 56.100 -0.429 0.000 1.055 219 R CB 0.791 31.003 30.300 -0.147 0.000 1.045 219 R HN 0.457 nan 8.270 nan 0.000 0.495 220 S N 1.287 116.893 115.700 -0.156 0.000 2.370 220 S HA -0.158 4.312 4.470 -0.000 0.000 0.226 220 S C 0.924 175.548 174.600 0.039 0.000 1.033 220 S CA 1.568 59.729 58.200 -0.066 0.000 1.011 220 S CB -0.165 62.944 63.200 -0.151 0.000 0.852 220 S HN 0.780 nan 8.310 nan 0.000 0.457 221 S N 1.253 116.927 115.700 -0.043 0.000 2.577 221 S HA 0.565 5.035 4.470 -0.000 0.000 0.294 221 S C -0.798 173.697 174.600 -0.176 0.000 1.161 221 S CA -0.761 57.399 58.200 -0.068 0.000 1.143 221 S CB 0.612 63.789 63.200 -0.038 0.000 0.991 221 S HN 0.483 nan 8.310 nan 0.000 0.475 222 E N 2.262 122.186 120.200 -0.459 0.000 2.407 222 E HA 0.485 4.835 4.350 -0.000 0.000 0.279 222 E C -1.771 174.196 176.600 -1.055 0.000 1.012 222 E CA -1.135 54.906 56.400 -0.598 0.000 0.800 222 E CB 1.560 31.022 29.700 -0.397 0.000 1.276 222 E HN 0.336 nan 8.360 nan 0.000 0.452 223 V N 3.847 123.426 119.914 -0.559 0.000 2.408 223 V HA 0.108 4.228 4.120 -0.000 0.000 0.267 223 V C -0.283 175.624 176.094 -0.312 0.000 1.047 223 V CA -0.077 61.971 62.300 -0.420 0.000 0.937 223 V CB -0.128 31.593 31.823 -0.169 0.000 0.999 223 V HN 0.661 nan 8.190 nan 0.000 0.472 224 Y N 3.248 123.546 120.300 -0.003 0.000 2.497 224 Y HA 0.555 5.105 4.550 -0.000 0.000 0.265 224 Y C 1.422 177.326 175.900 0.006 0.000 1.111 224 Y CA 0.414 58.512 58.100 -0.003 0.000 1.288 224 Y CB 0.267 38.721 38.460 -0.009 0.000 1.082 224 Y HN 0.813 nan 8.280 nan 0.000 0.536 225 G N -0.354 108.519 108.800 0.122 0.000 2.350 225 G HA2 0.310 4.270 3.960 -0.000 0.000 0.276 225 G HA3 0.310 4.270 3.960 -0.000 0.000 0.276 225 G C -1.844 173.088 174.900 0.054 0.000 1.313 225 G CA -1.101 44.045 45.100 0.076 0.000 0.903 225 G HN -0.042 nan 8.290 nan 0.000 0.490 226 Q N -0.807 119.013 119.800 0.033 0.000 2.456 226 Q HA 0.681 5.021 4.340 -0.000 0.000 0.283 226 Q C -1.357 174.650 176.000 0.012 0.000 1.084 226 Q CA -1.021 54.797 55.803 0.026 0.000 0.801 226 Q CB 2.391 31.140 28.738 0.018 0.000 1.434 226 Q HN 0.593 nan 8.270 nan 0.000 0.419 227 T N 0.405 114.969 114.554 0.016 0.000 2.797 227 T HA 0.289 4.639 4.350 -0.000 0.000 0.279 227 T C -0.204 174.501 174.700 0.008 0.000 0.991 227 T CA -0.816 61.289 62.100 0.008 0.000 0.979 227 T CB 0.938 69.817 68.868 0.019 0.000 0.943 227 T HN 0.453 nan 8.240 nan 0.000 0.444 228 N N 2.616 121.315 118.700 -0.002 0.000 2.521 228 N HA 0.107 4.847 4.740 -0.000 0.000 0.236 228 N C 0.693 176.209 175.510 0.011 0.000 1.067 228 N CA -0.226 52.826 53.050 0.003 0.000 0.939 228 N CB 0.554 39.040 38.487 -0.002 0.000 1.201 228 N HN 0.660 nan 8.380 nan 0.000 0.511 229 I N 3.616 124.196 120.570 0.018 0.000 2.270 229 I HA 0.206 4.376 4.170 -0.000 0.000 0.239 229 I C 1.200 177.331 176.117 0.024 0.000 1.080 229 I CA 1.188 62.502 61.300 0.023 0.000 1.383 229 I CB -0.926 37.091 38.000 0.029 0.000 1.097 229 I HN 0.534 nan 8.210 nan 0.000 0.420 236 R N 2.159 122.668 120.500 0.015 0.000 2.446 236 R HA 0.324 4.664 4.340 -0.000 0.000 0.325 236 R C 0.114 176.428 176.300 0.023 0.000 0.997 236 R CA 0.024 56.133 56.100 0.015 0.000 1.010 236 R CB -0.183 30.123 30.300 0.011 0.000 0.946 236 R HN 0.389 nan 8.270 nan 0.000 0.422 237 I N 6.260 126.847 120.570 0.028 0.000 2.577 237 I HA 0.483 4.652 4.170 -0.000 0.000 0.305 237 I C -2.045 174.094 176.117 0.037 0.000 0.986 237 I CA -3.363 57.959 61.300 0.037 0.000 1.189 237 I CB 1.287 39.315 38.000 0.046 0.000 1.355 237 I HN 0.458 nan 8.210 nan 0.000 0.476 238 P HA 0.580 nan 4.420 nan 0.000 0.285 238 P C -1.039 176.297 177.300 0.060 0.000 1.285 238 P CA -0.599 62.527 63.100 0.044 0.000 0.854 238 P CB 1.597 33.315 31.700 0.030 0.000 1.180 239 I N 0.576 121.192 120.570 0.077 0.000 2.493 239 I HA 0.226 4.395 4.170 -0.000 0.000 0.279 239 I C 0.330 176.523 176.117 0.127 0.000 1.045 239 I CA -0.228 61.156 61.300 0.140 0.000 1.106 239 I CB 1.465 39.582 38.000 0.194 0.000 1.216 239 I HN 0.236 nan 8.210 nan 0.000 0.459 240 S N 2.348 118.076 115.700 0.048 0.000 2.754 240 S HA 0.546 5.016 4.470 -0.000 0.000 0.247 240 S C 0.258 174.852 174.600 -0.010 0.000 1.031 240 S CA -0.537 57.563 58.200 -0.166 0.000 1.014 240 S CB 0.788 63.910 63.200 -0.129 0.000 0.918 240 S HN 0.701 nan 8.310 nan 0.000 0.519 241 G N 1.174 110.130 108.800 0.260 0.000 2.667 241 G HA2 0.735 4.694 3.960 -0.000 0.000 0.298 241 G HA3 0.735 4.694 3.960 -0.000 0.000 0.298 241 G C -1.343 173.704 174.900 0.245 0.000 1.377 241 G CA -0.833 44.410 45.100 0.238 0.000 0.964 241 G HN 0.361 nan 8.290 nan 0.000 0.493 242 I N 0.045 120.686 120.570 0.118 0.000 2.787 242 I HA 0.727 4.897 4.170 -0.000 0.000 0.294 242 I C -0.318 175.757 176.117 -0.071 0.000 1.365 242 I CA -1.017 60.264 61.300 -0.031 0.000 1.029 242 I CB 2.166 40.060 38.000 -0.176 0.000 1.313 242 I HN 0.909 nan 8.210 nan 0.000 0.431 243 A N 2.888 125.660 122.820 -0.081 0.000 2.597 243 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 243 A C -0.774 176.758 177.584 -0.086 0.000 1.057 243 A CA -0.351 51.629 52.037 -0.095 0.000 0.674 243 A CB 1.351 20.292 19.000 -0.099 0.000 1.278 243 A HN 0.940 nan 8.150 nan 0.000 0.416 244 G N 0.121 108.861 108.800 -0.101 0.000 2.420 244 G HA2 0.439 4.399 3.960 -0.000 0.000 0.284 244 G HA3 0.439 4.399 3.960 -0.000 0.000 0.284 244 G C 0.376 175.211 174.900 -0.109 0.000 1.177 244 G CA 0.398 45.432 45.100 -0.109 0.000 0.841 244 G HN 0.904 nan 8.290 nan 0.000 0.527 245 D N 1.960 122.294 120.400 -0.110 0.000 2.355 245 D HA -0.328 4.312 4.640 -0.000 0.000 0.192 245 D C 1.867 178.110 176.300 -0.096 0.000 1.014 245 D CA 1.862 55.806 54.000 -0.093 0.000 0.862 245 D CB -0.447 40.295 40.800 -0.096 0.000 0.986 245 D HN 0.393 nan 8.370 nan 0.000 0.456 246 Q N 0.003 119.709 119.800 -0.157 0.000 2.112 246 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 246 Q C 2.390 178.364 176.000 -0.044 0.000 0.987 246 Q CA 1.934 57.682 55.803 -0.092 0.000 0.858 246 Q CB -0.362 28.314 28.738 -0.104 0.000 0.905 246 Q HN 0.510 nan 8.270 nan 0.000 0.420 247 Q N -0.677 119.084 119.800 -0.065 0.000 2.084 247 Q HA -0.072 4.267 4.340 -0.000 0.000 0.202 247 Q C 2.013 178.000 176.000 -0.021 0.000 0.978 247 Q CA 1.512 57.290 55.803 -0.041 0.000 0.844 247 Q CB -0.380 28.314 28.738 -0.072 0.000 0.898 247 Q HN 0.451 nan 8.270 nan 0.000 0.426 248 A N 0.942 123.736 122.820 -0.043 0.000 1.892 248 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 248 A C 2.288 179.878 177.584 0.009 0.000 1.188 248 A CA 1.920 53.946 52.037 -0.020 0.000 0.631 248 A CB -1.129 17.850 19.000 -0.036 0.000 0.822 248 A HN 0.419 nan 8.150 nan 0.000 0.447 249 A N -0.736 122.081 122.820 -0.005 0.000 1.902 249 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 249 A C 2.077 179.673 177.584 0.021 0.000 1.181 249 A CA 1.735 53.773 52.037 0.001 0.000 0.623 249 A CB -0.652 18.357 19.000 0.015 0.000 0.818 249 A HN 0.633 nan 8.150 nan 0.000 0.443 250 L N -1.399 119.853 121.223 0.048 0.000 2.051 250 L HA -0.187 4.153 4.340 -0.000 0.000 0.214 250 L C 2.147 179.080 176.870 0.105 0.000 1.076 250 L CA 2.092 56.974 54.840 0.070 0.000 0.758 250 L CB -1.162 40.942 42.059 0.075 0.000 0.890 250 L HN 0.427 nan 8.230 nan 0.000 0.433 251 F N 0.419 120.324 119.950 -0.075 0.000 2.051 251 F HA -0.059 4.468 4.527 -0.001 0.000 0.296 251 F C 2.397 178.118 175.800 -0.132 0.000 1.122 251 F CA 1.654 59.602 58.000 -0.087 0.000 1.201 251 F CB -1.153 37.783 39.000 -0.105 0.000 0.978 251 F HN 0.165 nan 8.300 nan 0.000 0.472 252 G N -1.193 107.481 108.800 -0.208 0.000 2.485 252 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.221 252 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.221 252 G C 1.470 176.246 174.900 -0.205 0.000 1.115 252 G CA 0.995 45.866 45.100 -0.381 0.000 0.751 252 G HN 0.437 nan 8.290 nan 0.000 0.567 253 Q N -1.083 118.648 119.800 -0.115 0.000 2.425 253 Q HA 0.269 4.609 4.340 -0.000 0.000 0.204 253 Q C 0.719 176.678 176.000 -0.067 0.000 0.933 253 Q CA -0.232 55.535 55.803 -0.058 0.000 0.939 253 Q CB 0.004 28.733 28.738 -0.014 0.000 1.044 253 Q HN 0.127 nan 8.270 nan 0.000 0.513 254 L N -0.739 120.403 121.223 -0.134 0.000 3.717 254 L HA -0.252 4.088 4.340 -0.000 0.000 0.411 254 L C -0.633 176.202 176.870 -0.057 0.000 1.233 254 L CA 0.406 55.153 54.840 -0.156 0.000 0.917 254 L CB -2.750 39.234 42.059 -0.125 0.000 1.902 254 L HN 0.339 nan 8.230 nan 0.000 0.894 255 C N -0.430 118.867 119.300 -0.005 0.000 2.687 255 C HA 0.322 4.782 4.460 -0.000 0.000 0.465 255 C C 2.042 177.070 174.990 0.064 0.000 1.304 255 C CA -0.297 58.738 59.018 0.028 0.000 1.620 255 C CB -1.041 26.719 27.740 0.034 0.000 2.212 255 C HN 0.396 nan 8.230 nan 0.000 0.616 256 V N 1.690 121.642 119.914 0.063 0.000 3.623 256 V HA -0.011 4.109 4.120 -0.000 0.000 0.274 256 V C 0.656 176.797 176.094 0.079 0.000 1.244 256 V CA 1.123 63.492 62.300 0.115 0.000 1.182 256 V CB -1.228 30.663 31.823 0.114 0.000 0.925 256 V HN 0.798 nan 8.190 nan 0.000 0.462 257 K N -1.041 119.391 120.400 0.054 0.000 2.532 257 K HA 0.474 4.793 4.320 -0.000 0.000 0.265 257 K C -0.495 176.129 176.600 0.040 0.000 0.948 257 K CA -0.898 55.417 56.287 0.046 0.000 0.842 257 K CB 1.471 33.992 32.500 0.036 0.000 1.392 257 K HN -0.143 nan 8.250 nan 0.000 0.436 258 E N 0.878 121.102 120.200 0.040 0.000 3.557 258 E HA -0.209 4.141 4.350 -0.000 0.000 0.264 258 E C 0.640 177.255 176.600 0.025 0.000 0.847 258 E CA 2.206 58.628 56.400 0.036 0.000 0.966 258 E CB -0.233 29.487 29.700 0.032 0.000 0.905 258 E HN 0.925 nan 8.360 nan 0.000 0.567 259 G N 3.433 112.247 108.800 0.023 0.000 2.175 259 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.244 259 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.244 259 G C 0.242 175.146 174.900 0.006 0.000 0.982 259 G CA 0.206 45.312 45.100 0.009 0.000 0.641 259 G HN 0.462 nan 8.290 nan 0.000 0.527 260 M N 1.094 120.705 119.600 0.018 0.000 2.144 260 M HA 0.644 5.124 4.480 -0.000 0.000 0.356 260 M C 0.314 176.628 176.300 0.023 0.000 1.217 260 M CA 0.246 55.556 55.300 0.017 0.000 1.087 260 M CB 1.688 34.301 32.600 0.021 0.000 1.609 260 M HN 0.534 nan 8.290 nan 0.000 0.467 261 A N 3.420 126.250 122.820 0.017 0.000 2.469 261 A HA 0.945 5.265 4.320 -0.000 0.000 0.299 261 A C -1.116 176.481 177.584 0.021 0.000 1.098 261 A CA -0.843 51.206 52.037 0.020 0.000 0.737 261 A CB 1.606 20.613 19.000 0.012 0.000 1.312 261 A HN 0.798 nan 8.150 nan 0.000 0.414 262 K N 0.322 120.737 120.400 0.025 0.000 2.512 262 K HA 0.700 5.019 4.320 -0.000 0.000 0.263 262 K C -1.175 175.432 176.600 0.011 0.000 0.966 262 K CA -0.663 55.640 56.287 0.027 0.000 0.851 262 K CB 1.431 33.953 32.500 0.036 0.000 1.395 262 K HN 0.447 nan 8.250 nan 0.000 0.440 263 N N -0.081 118.622 118.700 0.006 0.000 2.314 263 N HA 0.451 5.191 4.740 -0.000 0.000 0.294 263 N C -1.513 173.946 175.510 -0.086 0.000 1.029 263 N CA -0.359 52.639 53.050 -0.088 0.000 0.845 263 N CB 2.264 40.635 38.487 -0.193 0.000 1.321 263 N HN 0.682 nan 8.380 nan 0.000 0.481 264 T N 2.561 117.039 114.554 -0.126 0.000 2.895 264 T HA 0.436 4.785 4.350 -0.000 0.000 0.283 264 T C -1.181 173.373 174.700 -0.243 0.000 1.014 264 T CA -0.053 62.030 62.100 -0.029 0.000 1.037 264 T CB 0.285 69.217 68.868 0.107 0.000 1.006 264 T HN 0.287 nan 8.240 nan 0.000 0.468 265 Y N 1.444 121.783 120.300 0.066 0.000 2.376 265 Y HA 0.616 5.165 4.550 -0.001 0.000 0.326 265 Y C 0.671 176.623 175.900 0.086 0.000 0.970 265 Y CA -0.560 57.569 58.100 0.049 0.000 1.248 265 Y CB 1.574 40.044 38.460 0.017 0.000 1.117 265 Y HN 0.863 nan 8.280 nan 0.000 0.476 266 G N 0.205 109.145 108.800 0.233 0.000 3.000 266 G HA2 0.119 4.078 3.960 -0.000 0.000 0.170 266 G HA3 0.119 4.078 3.960 -0.000 0.000 0.170 266 G C 0.643 175.677 174.900 0.222 0.000 1.160 266 G CA -0.147 45.087 45.100 0.224 0.000 0.945 266 G HN 0.265 nan 8.290 nan 0.000 0.593 267 T N 0.414 115.127 114.554 0.264 0.000 2.685 267 T HA 0.074 4.424 4.350 -0.000 0.000 0.268 267 T C 1.295 176.171 174.700 0.294 0.000 1.034 267 T CA 2.196 64.462 62.100 0.278 0.000 1.149 267 T CB -0.541 68.541 68.868 0.356 0.000 0.860 267 T HN 0.782 nan 8.240 nan 0.000 0.449 268 G N -1.547 107.471 108.800 0.363 0.000 3.217 268 G HA2 0.504 4.464 3.960 -0.000 0.000 0.213 268 G HA3 0.504 4.464 3.960 -0.000 0.000 0.213 268 G C -1.360 173.424 174.900 -0.194 0.000 1.294 268 G CA -0.395 44.795 45.100 0.150 0.000 0.987 268 G HN 0.378 nan 8.290 nan 0.000 0.584 269 C N -0.403 118.396 119.300 -0.836 0.000 2.481 269 C HA 0.720 5.179 4.460 -0.000 0.000 0.324 269 C C -1.640 172.571 174.990 -1.299 0.000 1.170 269 C CA -0.681 57.838 59.018 -0.831 0.000 1.361 269 C CB -0.143 27.285 27.740 -0.520 0.000 1.977 269 C HN 0.439 nan 8.230 nan 0.000 0.459 270 F N 3.471 123.357 119.950 -0.106 0.000 2.659 270 F HA 0.442 4.969 4.527 -0.000 0.000 0.342 270 F C 0.093 175.851 175.800 -0.071 0.000 1.168 270 F CA -0.559 57.410 58.000 -0.052 0.000 1.003 270 F CB 0.926 39.913 39.000 -0.021 0.000 1.267 270 F HN 0.349 nan 8.300 nan 0.000 0.463 271 M N 5.049 124.678 119.600 0.049 0.000 2.084 271 M HA 0.512 4.991 4.480 -0.000 0.000 0.351 271 M C -1.721 174.623 176.300 0.073 0.000 1.240 271 M CA -0.474 54.836 55.300 0.017 0.000 1.083 271 M CB 0.629 33.207 32.600 -0.037 0.000 1.593 271 M HN 0.557 nan 8.290 nan 0.000 0.463 272 L N 5.425 126.687 121.223 0.066 0.000 2.323 272 L HA 0.689 5.029 4.340 -0.000 0.000 0.265 272 L C -0.569 176.333 176.870 0.053 0.000 1.012 272 L CA -0.315 54.569 54.840 0.074 0.000 0.820 272 L CB 2.106 44.212 42.059 0.078 0.000 1.334 272 L HN 0.764 nan 8.230 nan 0.000 0.427 273 M N 2.807 122.440 119.600 0.056 0.000 2.224 273 M HA 0.374 4.854 4.480 -0.000 0.000 0.281 273 M C -1.286 175.046 176.300 0.054 0.000 1.025 273 M CA -0.476 54.851 55.300 0.045 0.000 0.954 273 M CB 1.547 34.167 32.600 0.033 0.000 1.639 273 M HN 0.713 nan 8.290 nan 0.000 0.461 274 N N 3.182 121.913 118.700 0.053 0.000 2.447 274 N HA 0.039 4.778 4.740 -0.000 0.000 0.263 274 N C 0.141 175.691 175.510 0.066 0.000 1.226 274 N CA 0.900 53.987 53.050 0.062 0.000 0.906 274 N CB 1.087 39.610 38.487 0.060 0.000 1.060 274 N HN 0.833 nan 8.380 nan 0.000 0.468 275 T N 0.885 115.495 114.554 0.093 0.000 3.105 275 T HA 0.332 4.681 4.350 -0.000 0.000 0.253 275 T C 1.174 175.941 174.700 0.112 0.000 1.047 275 T CA 0.067 62.223 62.100 0.093 0.000 0.944 275 T CB -0.222 68.699 68.868 0.089 0.000 1.016 275 T HN 0.776 nan 8.240 nan 0.000 0.544 276 G N 2.291 111.155 108.800 0.105 0.000 2.552 276 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.265 276 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.265 276 G C 0.586 175.585 174.900 0.165 0.000 1.234 276 G CA 0.228 45.387 45.100 0.098 0.000 0.944 276 G HN 0.283 nan 8.290 nan 0.000 0.568 277 E N 1.157 121.450 120.200 0.155 0.000 2.204 277 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 277 E C 1.394 178.215 176.600 0.368 0.000 0.989 277 E CA 1.609 58.133 56.400 0.208 0.000 0.824 277 E CB -0.077 29.690 29.700 0.112 0.000 0.756 277 E HN 0.659 nan 8.360 nan 0.000 0.477 278 K N -0.265 120.257 120.400 0.204 0.000 2.138 278 K HA 0.555 4.874 4.320 -0.000 0.000 0.263 278 K C -0.719 175.745 176.600 -0.227 0.000 0.965 278 K CA -0.593 55.681 56.287 -0.022 0.000 0.868 278 K CB 1.936 34.425 32.500 -0.018 0.000 1.083 278 K HN -0.194 nan 8.250 nan 0.000 0.443 279 A N 3.380 125.851 122.820 -0.581 0.000 2.294 279 A HA 0.393 4.713 4.320 -0.000 0.000 0.316 279 A C -0.317 177.106 177.584 -0.267 0.000 1.359 279 A CA -0.857 50.790 52.037 -0.649 0.000 0.956 279 A CB 0.228 18.594 19.000 -1.057 0.000 1.155 279 A HN 0.545 nan 8.150 nan 0.000 0.544 280 V N 2.774 122.602 119.914 -0.143 0.000 2.775 280 V HA 0.240 4.360 4.120 -0.000 0.000 0.299 280 V C 0.509 176.566 176.094 -0.061 0.000 1.062 280 V CA -0.058 62.198 62.300 -0.074 0.000 1.063 280 V CB 1.176 32.981 31.823 -0.029 0.000 0.994 280 V HN 0.969 nan 8.190 nan 0.000 0.483 281 K N 2.372 122.748 120.400 -0.041 0.000 2.265 281 K HA 0.549 4.869 4.320 -0.000 0.000 0.267 281 K C -0.219 176.376 176.600 -0.008 0.000 0.994 281 K CA -0.117 56.153 56.287 -0.029 0.000 0.860 281 K CB 1.631 34.112 32.500 -0.031 0.000 1.099 281 K HN 0.503 nan 8.250 nan 0.000 0.448 282 S N 2.178 117.880 115.700 0.003 0.000 2.560 282 S HA 0.020 4.490 4.470 -0.000 0.000 0.284 282 S C 0.187 174.798 174.600 0.019 0.000 1.327 282 S CA -0.185 58.029 58.200 0.023 0.000 1.055 282 S CB 0.370 63.599 63.200 0.048 0.000 0.868 282 S HN 0.767 nan 8.310 nan 0.000 0.506 283 E N 2.775 122.991 120.200 0.027 0.000 2.572 283 E HA 0.123 4.473 4.350 -0.000 0.000 0.220 283 E C -0.450 176.173 176.600 0.038 0.000 0.945 283 E CA 0.138 56.553 56.400 0.025 0.000 1.070 283 E CB 0.259 29.970 29.700 0.019 0.000 1.090 283 E HN 0.759 nan 8.360 nan 0.000 0.506 284 N N -0.330 118.401 118.700 0.051 0.000 2.571 284 N HA 0.249 4.988 4.740 -0.000 0.000 0.298 284 N C 0.384 175.954 175.510 0.100 0.000 1.671 284 N CA 0.314 53.401 53.050 0.061 0.000 0.900 284 N CB 1.567 40.080 38.487 0.044 0.000 1.365 284 N HN 0.066 nan 8.380 nan 0.000 0.493 285 G N 0.115 109.001 108.800 0.143 0.000 2.153 285 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.252 285 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.252 285 G C -0.038 175.119 174.900 0.429 0.000 0.994 285 G CA 0.259 45.539 45.100 0.301 0.000 0.698 285 G HN 0.310 nan 8.290 nan 0.000 0.521 286 L N -0.904 120.466 121.223 0.244 0.000 2.440 286 L HA 0.812 5.152 4.340 -0.000 0.000 0.262 286 L C 0.882 177.879 176.870 0.212 0.000 1.072 286 L CA -1.268 53.726 54.840 0.256 0.000 0.798 286 L CB 1.010 43.161 42.059 0.153 0.000 1.307 286 L HN 0.071 nan 8.230 nan 0.000 0.475 287 L N -0.591 120.761 121.223 0.216 0.000 2.354 287 L HA 0.543 4.883 4.340 -0.000 0.000 0.269 287 L C -0.779 176.146 176.870 0.091 0.000 1.005 287 L CA -0.635 54.292 54.840 0.144 0.000 0.819 287 L CB 1.918 44.101 42.059 0.207 0.000 1.311 287 L HN 0.468 nan 8.230 nan 0.000 0.423 288 T N -0.140 114.433 114.554 0.033 0.000 2.758 288 T HA 0.525 4.875 4.350 -0.000 0.000 0.285 288 T C -0.147 174.571 174.700 0.029 0.000 0.981 288 T CA -0.457 61.657 62.100 0.023 0.000 0.965 288 T CB 1.739 70.591 68.868 -0.028 0.000 0.927 288 T HN 0.662 nan 8.240 nan 0.000 0.448 289 T N 1.990 116.591 114.554 0.079 0.000 2.804 289 T HA 0.669 5.018 4.350 -0.000 0.000 0.290 289 T C -0.891 173.881 174.700 0.120 0.000 1.099 289 T CA -0.654 61.487 62.100 0.069 0.000 1.011 289 T CB 1.046 69.935 68.868 0.035 0.000 1.291 289 T HN 0.459 nan 8.240 nan 0.000 0.523 290 I N 2.124 122.704 120.570 0.017 0.000 2.428 290 I HA 0.620 4.790 4.170 -0.000 0.000 0.289 290 I C 0.476 176.529 176.117 -0.106 0.000 1.019 290 I CA 0.264 61.502 61.300 -0.104 0.000 1.351 290 I CB 1.123 39.058 38.000 -0.109 0.000 1.412 290 I HN 0.806 nan 8.210 nan 0.000 0.513 291 A N 4.897 127.620 122.820 -0.161 0.000 2.985 291 A HA 0.765 5.085 4.320 -0.000 0.000 0.248 291 A C -1.415 176.082 177.584 -0.144 0.000 1.195 291 A CA -0.423 51.548 52.037 -0.109 0.000 0.798 291 A CB 0.966 19.938 19.000 -0.045 0.000 1.376 291 A HN 0.625 nan 8.150 nan 0.000 0.574 292 C N -0.031 119.195 119.300 -0.124 0.000 2.408 292 C HA 0.725 5.185 4.460 -0.000 0.000 0.321 292 C C 1.086 176.046 174.990 -0.049 0.000 1.245 292 C CA -0.283 58.620 59.018 -0.191 0.000 1.523 292 C CB 0.470 27.895 27.740 -0.524 0.000 2.178 292 C HN 1.074 nan 8.230 nan 0.000 0.488 293 G N 3.206 111.978 108.800 -0.047 0.000 2.621 293 G HA2 0.360 4.320 3.960 -0.000 0.000 0.271 293 G HA3 0.360 4.320 3.960 -0.000 0.000 0.271 293 G C -1.670 173.327 174.900 0.161 0.000 1.236 293 G CA -0.537 44.588 45.100 0.042 0.000 0.958 293 G HN 0.486 nan 8.290 nan 0.000 0.512 294 P HA -0.013 nan 4.420 nan 0.000 0.226 294 P C 1.626 179.084 177.300 0.264 0.000 1.153 294 P CA 1.608 64.862 63.100 0.257 0.000 0.777 294 P CB 0.251 32.032 31.700 0.135 0.000 0.794 295 T N -4.813 109.831 114.554 0.149 0.000 3.092 295 T HA 0.415 4.765 4.350 -0.000 0.000 0.258 295 T C 1.268 176.002 174.700 0.057 0.000 1.031 295 T CA 0.396 62.566 62.100 0.117 0.000 0.925 295 T CB -0.708 68.204 68.868 0.072 0.000 1.036 295 T HN 0.191 nan 8.240 nan 0.000 0.544 296 G N 1.825 110.605 108.800 -0.033 0.000 2.141 296 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.231 296 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.231 296 G C -0.214 174.625 174.900 -0.102 0.000 0.984 296 G CA 0.109 45.115 45.100 -0.158 0.000 0.660 296 G HN 0.939 nan 8.290 nan 0.000 0.525 297 E N 0.970 121.138 120.200 -0.053 0.000 2.283 297 E HA 0.530 4.880 4.350 -0.000 0.000 0.267 297 E C 0.387 176.950 176.600 -0.061 0.000 1.045 297 E CA -0.763 55.621 56.400 -0.027 0.000 0.884 297 E CB 1.667 31.365 29.700 -0.003 0.000 1.106 297 E HN 0.348 nan 8.360 nan 0.000 0.408 298 V N 3.387 123.268 119.914 -0.054 0.000 2.584 298 V HA -0.059 4.061 4.120 -0.000 0.000 0.303 298 V C 0.310 176.255 176.094 -0.248 0.000 1.035 298 V CA 0.622 62.831 62.300 -0.152 0.000 1.172 298 V CB -0.600 31.112 31.823 -0.185 0.000 0.896 298 V HN 0.602 nan 8.190 nan 0.000 0.486 299 N N 2.888 121.395 118.700 -0.320 0.000 2.701 299 N HA 0.621 5.361 4.740 -0.000 0.000 0.290 299 N C -1.347 173.843 175.510 -0.533 0.000 1.338 299 N CA -0.601 52.268 53.050 -0.301 0.000 0.799 299 N CB 1.671 40.095 38.487 -0.105 0.000 1.491 299 N HN 0.445 nan 8.380 nan 0.000 0.540 300 Y N -0.429 119.859 120.300 -0.020 0.000 2.536 300 Y HA 0.780 5.329 4.550 -0.000 0.000 0.347 300 Y C 0.047 175.939 175.900 -0.012 0.000 1.000 300 Y CA -0.814 57.267 58.100 -0.032 0.000 1.051 300 Y CB 1.903 40.334 38.460 -0.049 0.000 1.259 300 Y HN 0.551 nan 8.280 nan 0.000 0.468 301 A N 1.705 124.638 122.820 0.189 0.000 2.532 301 A HA 0.810 5.130 4.320 -0.000 0.000 0.290 301 A C -2.080 175.565 177.584 0.102 0.000 1.143 301 A CA -0.821 51.285 52.037 0.115 0.000 0.728 301 A CB 1.639 20.685 19.000 0.076 0.000 1.317 301 A HN 0.713 nan 8.150 nan 0.000 0.414 302 L N 1.406 122.678 121.223 0.083 0.000 2.316 302 L HA 0.471 4.811 4.340 -0.000 0.000 0.280 302 L C -0.384 176.544 176.870 0.096 0.000 1.006 302 L CA -0.087 54.800 54.840 0.078 0.000 0.836 302 L CB 1.269 43.363 42.059 0.059 0.000 1.221 302 L HN 0.955 nan 8.230 nan 0.000 0.418 303 E N 2.892 123.169 120.200 0.129 0.000 2.176 303 E HA 0.537 4.886 4.350 -0.000 0.000 0.267 303 E C -0.461 176.274 176.600 0.224 0.000 0.893 303 E CA -0.647 55.856 56.400 0.172 0.000 0.761 303 E CB 1.948 31.769 29.700 0.202 0.000 1.133 303 E HN 0.644 nan 8.360 nan 0.000 0.409 304 G N 2.568 111.479 108.800 0.184 0.000 2.335 304 G HA2 0.571 4.531 3.960 -0.000 0.000 0.314 304 G HA3 0.571 4.531 3.960 -0.000 0.000 0.314 304 G C -0.846 174.164 174.900 0.182 0.000 1.129 304 G CA -0.420 44.776 45.100 0.160 0.000 0.912 304 G HN 0.528 nan 8.290 nan 0.000 0.443 305 A N 2.704 125.670 122.820 0.243 0.000 2.273 305 A HA 0.659 4.979 4.320 -0.000 0.000 0.315 305 A C -0.497 176.980 177.584 -0.177 0.000 1.256 305 A CA -0.501 51.688 52.037 0.253 0.000 0.851 305 A CB 1.503 20.986 19.000 0.806 0.000 1.172 305 A HN 0.708 nan 8.150 nan 0.000 0.508 306 V N 4.398 124.038 119.914 -0.456 0.000 2.370 306 V HA 0.249 4.369 4.120 -0.000 0.000 0.283 306 V C 0.475 176.468 176.094 -0.168 0.000 1.023 306 V CA -0.220 61.846 62.300 -0.390 0.000 0.857 306 V CB 0.770 32.393 31.823 -0.333 0.000 0.985 306 V HN 0.880 nan 8.190 nan 0.000 0.443 307 F N 3.224 123.110 119.950 -0.106 0.000 2.113 307 F HA 0.129 4.656 4.527 -0.000 0.000 0.297 307 F C 1.115 176.988 175.800 0.121 0.000 1.103 307 F CA 0.773 58.839 58.000 0.109 0.000 1.248 307 F CB -0.300 38.730 39.000 0.050 0.000 0.999 307 F HN 0.261 nan 8.300 nan 0.000 0.475 308 M N -0.627 119.105 119.600 0.220 0.000 2.167 308 M HA 0.540 5.020 4.480 -0.000 0.000 0.333 308 M C 0.351 176.704 176.300 0.088 0.000 1.030 308 M CA -0.244 55.140 55.300 0.140 0.000 0.963 308 M CB 1.140 33.812 32.600 0.119 0.000 1.589 308 M HN 0.155 nan 8.290 nan 0.000 0.431 309 A N 2.792 125.663 122.820 0.086 0.000 1.663 309 A HA 0.510 4.829 4.320 -0.000 0.000 0.152 309 A C 1.446 179.088 177.584 0.097 0.000 1.634 309 A CA 0.544 52.634 52.037 0.088 0.000 1.780 309 A CB -0.936 18.112 19.000 0.080 0.000 1.649 309 A HN 0.732 nan 8.150 nan 0.000 1.147 310 G N 0.443 109.317 108.800 0.124 0.000 2.462 310 G HA2 0.051 4.010 3.960 -0.000 0.000 0.220 310 G HA3 0.051 4.010 3.960 -0.000 0.000 0.220 310 G C 1.587 176.535 174.900 0.080 0.000 1.121 310 G CA 1.911 47.078 45.100 0.112 0.000 0.758 310 G HN 1.147 nan 8.290 nan 0.000 0.559 311 A N 1.485 124.345 122.820 0.067 0.000 1.892 311 A HA -0.106 4.213 4.320 -0.000 0.000 0.218 311 A C 2.740 180.290 177.584 -0.057 0.000 1.188 311 A CA 2.625 54.671 52.037 0.015 0.000 0.631 311 A CB -0.836 18.171 19.000 0.011 0.000 0.822 311 A HN 0.626 nan 8.150 nan 0.000 0.447 312 S N -0.215 115.432 115.700 -0.089 0.000 2.419 312 S HA -0.144 4.325 4.470 -0.000 0.000 0.235 312 S C 1.605 176.249 174.600 0.072 0.000 1.019 312 S CA 1.477 59.587 58.200 -0.151 0.000 0.982 312 S CB -0.465 62.685 63.200 -0.084 0.000 0.789 312 S HN 0.327 nan 8.310 nan 0.000 0.490 313 I N 2.475 123.090 120.570 0.075 0.000 2.286 313 I HA -0.070 4.099 4.170 -0.000 0.000 0.245 313 I C 2.670 178.840 176.117 0.089 0.000 1.104 313 I CA 0.830 62.186 61.300 0.094 0.000 1.397 313 I CB -1.253 36.795 38.000 0.081 0.000 1.072 313 I HN 0.283 nan 8.210 nan 0.000 0.417 314 Q N -1.219 118.628 119.800 0.080 0.000 2.135 314 Q HA -0.282 4.057 4.340 -0.000 0.000 0.204 314 Q C 2.084 178.130 176.000 0.076 0.000 0.981 314 Q CA 2.043 57.886 55.803 0.068 0.000 0.856 314 Q CB -0.527 28.247 28.738 0.060 0.000 0.902 314 Q HN 0.599 nan 8.270 nan 0.000 0.425 315 W N 1.343 122.577 121.300 -0.110 0.000 2.304 315 W HA -0.252 4.408 4.660 -0.001 0.000 0.315 315 W C 1.490 177.960 176.519 -0.083 0.000 1.233 315 W CA 1.571 58.834 57.345 -0.137 0.000 1.261 315 W CB -0.353 28.930 29.460 -0.296 0.000 1.150 315 W HN 0.074 nan 8.180 nan 0.000 0.494 316 L N 0.105 121.334 121.223 0.009 0.000 2.017 316 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 316 L C 2.809 179.538 176.870 -0.234 0.000 1.073 316 L CA 2.104 56.828 54.840 -0.193 0.000 0.745 316 L CB -0.965 41.086 42.059 -0.013 0.000 0.894 316 L HN 0.073 nan 8.230 nan 0.000 0.432 317 R N 0.167 120.598 120.500 -0.115 0.000 2.057 317 R HA -0.141 4.199 4.340 -0.000 0.000 0.229 317 R C 1.634 177.865 176.300 -0.114 0.000 1.136 317 R CA 1.979 58.024 56.100 -0.091 0.000 0.952 317 R CB -0.168 30.117 30.300 -0.024 0.000 0.848 317 R HN 0.347 nan 8.270 nan 0.000 0.430 318 D N -0.712 119.628 120.400 -0.100 0.000 2.305 318 D HA -0.040 4.600 4.640 -0.000 0.000 0.206 318 D C 1.207 177.419 176.300 -0.147 0.000 0.974 318 D CA 0.721 54.667 54.000 -0.089 0.000 0.871 318 D CB 0.302 41.088 40.800 -0.023 0.000 0.947 318 D HN 0.342 nan 8.370 nan 0.000 0.516 319 E N -0.326 119.696 120.200 -0.295 0.000 2.207 319 E HA 0.116 4.465 4.350 -0.000 0.000 0.197 319 E C 1.992 178.339 176.600 -0.420 0.000 0.914 319 E CA 0.144 56.345 56.400 -0.331 0.000 0.914 319 E CB 0.198 29.670 29.700 -0.379 0.000 0.893 319 E HN -0.097 nan 8.360 nan 0.000 0.479 320 M N 0.556 119.729 119.600 -0.712 0.000 2.175 320 M HA -0.005 4.474 4.480 -0.000 0.000 0.264 320 M C 0.234 176.324 176.300 -0.349 0.000 1.063 320 M CA 1.141 56.088 55.300 -0.589 0.000 1.119 320 M CB -0.618 31.466 32.600 -0.859 0.000 1.377 320 M HN -0.007 nan 8.290 nan 0.000 0.415 321 K N -0.140 120.070 120.400 -0.317 0.000 3.117 321 K HA -0.167 4.153 4.320 -0.000 0.000 0.269 321 K C 0.648 177.123 176.600 -0.208 0.000 1.098 321 K CA 0.037 56.197 56.287 -0.212 0.000 0.785 321 K CB -2.295 30.111 32.500 -0.156 0.000 1.242 321 K HN 0.325 nan 8.250 nan 0.000 0.491 322 L N 0.226 121.300 121.223 -0.248 0.000 2.376 322 L HA 0.076 4.416 4.340 -0.000 0.000 0.219 322 L C 1.470 178.146 176.870 -0.322 0.000 1.133 322 L CA 0.843 55.522 54.840 -0.269 0.000 0.816 322 L CB -0.593 41.307 42.059 -0.264 0.000 0.933 322 L HN 0.405 nan 8.230 nan 0.000 0.449 323 I N -4.906 115.529 120.570 -0.226 0.000 3.279 323 I HA 0.315 4.485 4.170 -0.000 0.000 0.315 323 I C -0.273 175.811 176.117 -0.054 0.000 1.187 323 I CA -0.833 60.377 61.300 -0.150 0.000 0.953 323 I CB 2.012 39.969 38.000 -0.072 0.000 1.279 323 I HN -0.106 nan 8.210 nan 0.000 0.465 324 N N -0.037 118.677 118.700 0.023 0.000 2.210 324 N HA 0.189 4.929 4.740 -0.000 0.000 0.203 324 N C -1.002 174.548 175.510 0.067 0.000 1.175 324 N CA -0.037 53.034 53.050 0.035 0.000 0.894 324 N CB 1.113 39.626 38.487 0.043 0.000 1.041 324 N HN 0.578 nan 8.380 nan 0.000 0.506 325 D N -0.170 120.295 120.400 0.109 0.000 2.863 325 D HA 0.403 5.043 4.640 -0.000 0.000 0.245 325 D C 0.468 176.860 176.300 0.154 0.000 1.211 325 D CA -0.462 53.630 54.000 0.153 0.000 0.888 325 D CB 2.048 43.003 40.800 0.258 0.000 1.483 325 D HN -0.006 nan 8.370 nan 0.000 0.533 326 A N 2.665 125.568 122.820 0.137 0.000 1.927 326 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 326 A C 1.928 179.602 177.584 0.151 0.000 1.185 326 A CA 1.541 53.653 52.037 0.125 0.000 0.639 326 A CB -0.950 18.119 19.000 0.115 0.000 0.820 326 A HN 0.723 nan 8.150 nan 0.000 0.451 327 Y N 1.538 121.872 120.300 0.057 0.000 2.038 327 Y HA -0.366 4.184 4.550 -0.000 0.000 0.266 327 Y C 1.865 177.813 175.900 0.079 0.000 1.220 327 Y CA 2.390 60.523 58.100 0.055 0.000 1.107 327 Y CB -0.741 37.741 38.460 0.036 0.000 0.932 327 Y HN 0.457 nan 8.280 nan 0.000 0.500 328 D N -0.517 119.787 120.400 -0.161 0.000 2.265 328 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 328 D C 2.439 178.807 176.300 0.112 0.000 0.977 328 D CA 1.430 55.396 54.000 -0.056 0.000 0.871 328 D CB -0.650 40.350 40.800 0.333 0.000 0.925 328 D HN 0.579 nan 8.370 nan 0.000 0.485 329 S N 0.667 116.415 115.700 0.079 0.000 2.372 329 S HA -0.313 4.156 4.470 -0.000 0.000 0.227 329 S C 1.934 176.537 174.600 0.004 0.000 1.044 329 S CA 1.564 59.825 58.200 0.101 0.000 1.050 329 S CB -0.558 62.667 63.200 0.041 0.000 0.901 329 S HN 0.349 nan 8.310 nan 0.000 0.447 330 E N 0.352 120.484 120.200 -0.114 0.000 2.048 330 E HA -0.269 4.081 4.350 -0.000 0.000 0.202 330 E C 1.949 178.407 176.600 -0.238 0.000 1.021 330 E CA 1.720 58.011 56.400 -0.181 0.000 0.825 330 E CB -0.454 29.149 29.700 -0.162 0.000 0.756 330 E HN 0.715 nan 8.360 nan 0.000 0.454 331 Y N 0.182 120.256 120.300 -0.377 0.000 2.081 331 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 331 Y C 1.902 177.521 175.900 -0.468 0.000 1.163 331 Y CA 2.250 60.068 58.100 -0.471 0.000 1.135 331 Y CB -0.699 37.370 38.460 -0.652 0.000 0.970 331 Y HN 0.086 nan 8.280 nan 0.000 0.498 332 F N 0.088 119.844 119.950 -0.323 0.000 2.171 332 F HA -0.161 4.366 4.527 -0.001 0.000 0.300 332 F C 2.628 178.166 175.800 -0.438 0.000 1.090 332 F CA 1.333 59.089 58.000 -0.406 0.000 1.293 332 F CB -1.225 37.658 39.000 -0.195 0.000 1.013 332 F HN 0.182 nan 8.300 nan 0.000 0.486 333 A N -0.258 122.413 122.820 -0.249 0.000 1.969 333 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 333 A C 2.179 179.439 177.584 -0.540 0.000 1.169 333 A CA 1.932 53.710 52.037 -0.433 0.000 0.635 333 A CB -1.332 17.295 19.000 -0.623 0.000 0.810 333 A HN 0.405 nan 8.150 nan 0.000 0.445 334 T N -3.315 110.919 114.554 -0.535 0.000 3.148 334 T HA 0.106 4.455 4.350 -0.000 0.000 0.253 334 T C 1.601 176.088 174.700 -0.354 0.000 1.134 334 T CA 0.717 62.568 62.100 -0.414 0.000 1.051 334 T CB -0.033 68.640 68.868 -0.325 0.000 0.959 334 T HN 0.335 nan 8.240 nan 0.000 0.525 335 K N 1.264 121.398 120.400 -0.445 0.000 2.057 335 K HA 0.022 4.342 4.320 -0.000 0.000 0.207 335 K C 1.362 177.819 176.600 -0.238 0.000 1.049 335 K CA 1.167 57.218 56.287 -0.393 0.000 0.931 335 K CB -0.483 31.763 32.500 -0.422 0.000 0.714 335 K HN 0.555 nan 8.250 nan 0.000 0.440 336 V N -0.882 118.899 119.914 -0.222 0.000 2.904 336 V HA 0.110 4.230 4.120 -0.000 0.000 0.305 336 V C 1.156 177.208 176.094 -0.071 0.000 1.067 336 V CA -0.415 61.809 62.300 -0.127 0.000 1.044 336 V CB 1.619 33.384 31.823 -0.097 0.000 1.050 336 V HN 0.103 nan 8.190 nan 0.000 0.475 337 Q N 1.986 121.787 119.800 0.001 0.000 2.137 337 Q HA 0.102 4.441 4.340 -0.000 0.000 0.198 337 Q C 0.437 176.472 176.000 0.058 0.000 0.960 337 Q CA 1.764 57.584 55.803 0.028 0.000 0.847 337 Q CB 0.111 28.872 28.738 0.038 0.000 0.915 337 Q HN 1.097 nan 8.270 nan 0.000 0.448 338 N N -4.143 114.604 118.700 0.077 0.000 3.039 338 N HA 0.061 4.801 4.740 -0.000 0.000 0.257 338 N C -0.190 175.390 175.510 0.116 0.000 1.497 338 N CA -0.105 52.996 53.050 0.085 0.000 0.861 338 N CB 0.269 38.803 38.487 0.077 0.000 1.479 338 N HN -0.171 nan 8.380 nan 0.000 0.547 339 T N -0.984 113.602 114.554 0.053 0.000 3.113 339 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 339 T C 0.503 175.161 174.700 -0.070 0.000 1.143 339 T CA 1.269 63.386 62.100 0.029 0.000 1.090 339 T CB -1.151 67.683 68.868 -0.057 0.000 0.922 339 T HN 0.764 nan 8.240 nan 0.000 0.521 340 N N -0.227 118.408 118.700 -0.108 0.000 2.725 340 N HA -0.196 4.544 4.740 -0.000 0.000 0.249 340 N C 0.895 176.321 175.510 -0.139 0.000 1.103 340 N CA 1.564 54.468 53.050 -0.244 0.000 0.707 340 N CB -1.577 36.398 38.487 -0.853 0.000 1.043 340 N HN 0.938 nan 8.380 nan 0.000 0.553 341 G N -3.146 105.626 108.800 -0.046 0.000 2.225 341 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.254 341 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.254 341 G C 0.203 175.138 174.900 0.059 0.000 0.988 341 G CA 0.273 45.393 45.100 0.034 0.000 0.625 341 G HN 0.812 nan 8.290 nan 0.000 0.527 342 V N 0.317 120.231 119.914 0.001 0.000 2.843 342 V HA 0.503 4.623 4.120 -0.000 0.000 0.305 342 V C 0.168 176.302 176.094 0.068 0.000 1.065 342 V CA 0.200 62.549 62.300 0.081 0.000 1.116 342 V CB 0.938 32.798 31.823 0.062 0.000 0.968 342 V HN 0.265 nan 8.190 nan 0.000 0.487 343 Y N 1.479 121.905 120.300 0.210 0.000 2.421 343 Y HA 0.577 5.127 4.550 -0.000 0.000 0.339 343 Y C -0.244 175.845 175.900 0.315 0.000 0.996 343 Y CA -0.709 57.548 58.100 0.263 0.000 1.046 343 Y CB 2.275 40.838 38.460 0.172 0.000 1.226 343 Y HN 0.340 nan 8.280 nan 0.000 0.445 344 V N 4.544 124.741 119.914 0.472 0.000 2.459 344 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 344 V C -0.690 175.647 176.094 0.405 0.000 1.029 344 V CA -0.920 61.596 62.300 0.360 0.000 0.874 344 V CB 1.623 33.615 31.823 0.281 0.000 0.985 344 V HN 0.488 nan 8.190 nan 0.000 0.438 345 V N 7.140 127.206 119.914 0.254 0.000 2.334 345 V HA 0.340 4.460 4.120 -0.000 0.000 0.281 345 V C -2.133 174.018 176.094 0.095 0.000 1.016 345 V CA -1.636 60.776 62.300 0.188 0.000 0.832 345 V CB 1.950 33.781 31.823 0.014 0.000 0.999 345 V HN 0.781 nan 8.190 nan 0.000 0.439 346 P HA 0.189 nan 4.420 nan 0.000 0.225 346 P C 0.289 177.739 177.300 0.250 0.000 1.768 346 P CA 0.112 63.422 63.100 0.350 0.000 0.943 346 P CB 0.146 32.033 31.700 0.311 0.000 1.936 347 A N -0.147 122.623 122.820 -0.084 0.000 3.163 347 A HA 0.256 4.576 4.320 -0.000 0.000 0.283 347 A C 0.924 178.384 177.584 -0.206 0.000 1.412 347 A CA -0.453 51.526 52.037 -0.096 0.000 1.053 347 A CB -1.319 17.602 19.000 -0.132 0.000 1.082 347 A HN 0.086 nan 8.150 nan 0.000 0.639 348 F N 0.447 120.303 119.950 -0.157 0.000 2.192 348 F HA -0.136 4.391 4.527 -0.000 0.000 0.301 348 F C 2.291 178.010 175.800 -0.135 0.000 1.079 348 F CA 2.088 59.963 58.000 -0.208 0.000 1.303 348 F CB -0.035 38.789 39.000 -0.294 0.000 1.024 348 F HN 0.449 nan 8.300 nan 0.000 0.494 349 T N -2.170 112.443 114.554 0.099 0.000 3.448 349 T HA 0.607 4.957 4.350 -0.000 0.000 0.271 349 T C 0.524 175.329 174.700 0.176 0.000 1.002 349 T CA -0.045 62.096 62.100 0.069 0.000 0.995 349 T CB -0.239 68.604 68.868 -0.042 0.000 1.153 349 T HN 0.545 nan 8.240 nan 0.000 0.510 350 G N 1.316 110.172 108.800 0.094 0.000 2.698 350 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.233 350 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.233 350 G C -0.133 174.793 174.900 0.042 0.000 1.352 350 G CA -0.181 44.966 45.100 0.077 0.000 0.879 350 G HN 0.376 nan 8.290 nan 0.000 0.567 351 L N 1.117 122.297 121.223 -0.073 0.000 2.296 351 L HA 0.611 4.951 4.340 -0.000 0.000 0.193 351 L C 2.214 178.645 176.870 -0.732 0.000 1.123 351 L CA 3.161 57.838 54.840 -0.273 0.000 0.805 351 L CB -1.360 40.608 42.059 -0.153 0.000 1.004 351 L HN 2.684 nan 8.230 nan 0.000 0.478 352 G N -1.252 107.135 108.800 -0.689 0.000 2.710 352 G HA2 0.075 4.035 3.960 -0.000 0.000 0.668 352 G HA3 0.075 4.035 3.960 -0.000 0.000 0.668 352 G C -0.188 173.667 174.900 -1.742 0.000 1.320 352 G CA -0.420 43.679 45.100 -1.668 0.000 0.860 352 G HN 0.686 nan 8.290 nan 0.000 0.538 353 A N 0.706 122.279 122.820 -2.078 0.000 2.445 353 A HA 0.676 4.995 4.320 -0.000 0.000 0.242 353 A C -0.033 177.150 177.584 -0.669 0.000 1.075 353 A CA 0.113 51.372 52.037 -1.296 0.000 0.777 353 A CB 0.310 19.094 19.000 -0.361 0.000 1.013 353 A HN 0.769 nan 8.150 nan 0.000 0.493 354 P HA -0.123 nan 4.420 nan 0.000 0.226 354 P C 0.578 177.665 177.300 -0.355 0.000 1.153 354 P CA 1.304 64.156 63.100 -0.415 0.000 0.777 354 P CB -0.092 31.367 31.700 -0.401 0.000 0.794 355 Y N -1.496 118.670 120.300 -0.223 0.000 2.163 355 Y HA -0.043 4.507 4.550 -0.000 0.000 0.288 355 Y C 0.806 176.755 175.900 0.082 0.000 1.136 355 Y CA 0.359 58.410 58.100 -0.081 0.000 1.147 355 Y CB -1.645 36.729 38.460 -0.144 0.000 0.987 355 Y HN -0.116 nan 8.280 nan 0.000 0.509 356 W N 1.245 122.621 121.300 0.127 0.000 5.655 356 W HA -0.193 4.466 4.660 -0.001 0.000 0.428 356 W C -0.616 175.977 176.519 0.122 0.000 1.712 356 W CA 0.422 57.833 57.345 0.110 0.000 0.956 356 W CB -1.135 28.407 29.460 0.136 0.000 2.931 356 W HN 0.108 nan 8.180 nan 0.000 1.293 357 D N 0.967 121.494 120.400 0.212 0.000 2.375 357 D HA 0.259 4.899 4.640 -0.000 0.000 0.259 357 D C -1.054 175.283 176.300 0.062 0.000 1.235 357 D CA -2.257 51.845 54.000 0.171 0.000 0.924 357 D CB 1.180 42.068 40.800 0.147 0.000 1.143 357 D HN -0.120 nan 8.370 nan 0.000 0.529 358 P HA -0.095 nan 4.420 nan 0.000 0.234 358 P C 0.218 177.132 177.300 -0.643 0.000 1.162 358 P CA 0.762 63.656 63.100 -0.343 0.000 0.759 358 P CB -0.164 31.226 31.700 -0.516 0.000 0.813 359 Y N -1.073 119.257 120.300 0.050 0.000 2.430 359 Y HA 0.453 5.003 4.550 -0.000 0.000 0.248 359 Y C 1.619 177.583 175.900 0.107 0.000 1.108 359 Y CA -0.531 57.605 58.100 0.061 0.000 1.264 359 Y CB -0.509 37.976 38.460 0.042 0.000 1.172 359 Y HN -0.135 nan 8.280 nan 0.000 0.520 360 A N 1.613 124.556 122.820 0.206 0.000 2.520 360 A HA 0.417 4.737 4.320 -0.000 0.000 0.235 360 A C 0.306 177.929 177.584 0.065 0.000 1.065 360 A CA 0.056 52.165 52.037 0.118 0.000 0.764 360 A CB 0.266 19.263 19.000 -0.005 0.000 1.002 360 A HN 0.178 nan 8.150 nan 0.000 0.502 361 R N 0.220 120.714 120.500 -0.009 0.000 2.867 361 R HA 0.526 4.865 4.340 -0.000 0.000 0.268 361 R C 0.412 176.471 176.300 -0.403 0.000 1.014 361 R CA -0.174 55.819 56.100 -0.178 0.000 0.946 361 R CB 1.416 31.631 30.300 -0.143 0.000 1.208 361 R HN 0.982 nan 8.270 nan 0.000 0.477 362 G N 0.150 108.537 108.800 -0.688 0.000 2.414 362 G HA2 0.400 4.360 3.960 -0.000 0.000 0.236 362 G HA3 0.400 4.360 3.960 -0.000 0.000 0.236 362 G C -0.699 173.802 174.900 -0.666 0.000 1.293 362 G CA 0.383 44.928 45.100 -0.924 0.000 0.869 362 G HN 0.597 nan 8.290 nan 0.000 0.556 363 A N 1.550 124.092 122.820 -0.462 0.000 2.606 363 A HA 0.761 5.081 4.320 -0.000 0.000 0.293 363 A C -0.805 176.557 177.584 -0.370 0.000 1.082 363 A CA -0.690 51.042 52.037 -0.509 0.000 0.685 363 A CB 1.312 19.884 19.000 -0.714 0.000 1.284 363 A HN 0.722 nan 8.150 nan 0.000 0.408 364 I N 0.517 120.767 120.570 -0.533 0.000 2.545 364 I HA 0.639 4.808 4.170 -0.000 0.000 0.292 364 I C -1.333 174.492 176.117 -0.487 0.000 1.040 364 I CA -0.335 60.799 61.300 -0.276 0.000 1.068 364 I CB 1.899 39.845 38.000 -0.090 0.000 1.251 364 I HN 0.589 nan 8.210 nan 0.000 0.424 365 F N 1.209 121.176 119.950 0.027 0.000 2.620 365 F HA 0.633 5.159 4.527 -0.001 0.000 0.320 365 F C 0.938 176.774 175.800 0.060 0.000 1.069 365 F CA -0.781 57.234 58.000 0.026 0.000 0.953 365 F CB 1.904 40.911 39.000 0.013 0.000 1.322 365 F HN 0.631 nan 8.300 nan 0.000 0.479 366 G N 1.717 110.678 108.800 0.269 0.000 2.246 366 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.273 366 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.273 366 G C -0.535 174.424 174.900 0.099 0.000 1.055 366 G CA -0.420 44.782 45.100 0.170 0.000 0.851 366 G HN 0.525 nan 8.290 nan 0.000 0.500 367 L N 0.261 121.528 121.223 0.073 0.000 2.367 367 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 367 L C 0.883 177.768 176.870 0.026 0.000 1.129 367 L CA 0.086 54.948 54.840 0.038 0.000 0.839 367 L CB 1.267 43.339 42.059 0.020 0.000 1.133 367 L HN 0.203 nan 8.230 nan 0.000 0.453 368 T N 1.815 116.376 114.554 0.012 0.000 2.907 368 T HA 0.238 4.587 4.350 -0.000 0.000 0.292 368 T C 0.886 175.591 174.700 0.007 0.000 1.043 368 T CA -0.607 61.497 62.100 0.006 0.000 1.003 368 T CB 2.079 70.943 68.868 -0.007 0.000 1.084 368 T HN 0.621 nan 8.240 nan 0.000 0.483 369 R N 1.621 122.127 120.500 0.010 0.000 2.170 369 R HA -0.081 4.259 4.340 -0.000 0.000 0.242 369 R C 1.886 178.199 176.300 0.021 0.000 1.145 369 R CA 1.721 57.830 56.100 0.014 0.000 0.984 369 R CB -0.509 29.798 30.300 0.012 0.000 0.869 369 R HN 0.719 nan 8.270 nan 0.000 0.455 370 G N -0.173 108.637 108.800 0.017 0.000 2.920 370 G HA2 0.052 4.012 3.960 -0.000 0.000 0.208 370 G HA3 0.052 4.012 3.960 -0.000 0.000 0.208 370 G C 0.258 175.205 174.900 0.079 0.000 1.159 370 G CA -0.283 44.839 45.100 0.037 0.000 0.784 370 G HN 0.054 nan 8.290 nan 0.000 0.535 371 V N 1.802 121.749 119.914 0.055 0.000 2.637 371 V HA 0.267 4.386 4.120 -0.000 0.000 0.296 371 V C 0.257 176.509 176.094 0.263 0.000 1.046 371 V CA -0.237 62.150 62.300 0.145 0.000 1.066 371 V CB 0.849 32.701 31.823 0.048 0.000 0.968 371 V HN 0.693 nan 8.190 nan 0.000 0.483 372 N N 3.729 122.738 118.700 0.515 0.000 2.761 372 N HA 0.614 5.354 4.740 -0.000 0.000 0.283 372 N C 0.621 176.123 175.510 -0.013 0.000 1.377 372 N CA -0.202 52.910 53.050 0.103 0.000 0.791 372 N CB 1.415 39.881 38.487 -0.035 0.000 1.540 372 N HN 0.452 nan 8.380 nan 0.000 0.539 373 A N -0.161 122.610 122.820 -0.082 0.000 1.986 373 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 373 A C 1.487 178.980 177.584 -0.152 0.000 1.171 373 A CA 1.743 53.710 52.037 -0.116 0.000 0.640 373 A CB -1.093 17.809 19.000 -0.164 0.000 0.811 373 A HN 0.701 nan 8.150 nan 0.000 0.451 374 N N -0.416 118.151 118.700 -0.222 0.000 2.109 374 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 374 N C 1.469 176.862 175.510 -0.195 0.000 1.034 374 N CA 1.768 54.675 53.050 -0.238 0.000 0.846 374 N CB -0.807 37.508 38.487 -0.286 0.000 1.010 374 N HN 0.780 nan 8.380 nan 0.000 0.425 375 H N 0.774 119.814 119.070 -0.050 0.000 2.289 375 H HA -0.070 4.486 4.556 -0.000 0.000 0.296 375 H C 1.801 177.115 175.328 -0.023 0.000 1.091 375 H CA 1.282 57.306 56.048 -0.039 0.000 1.274 375 H CB -0.098 29.652 29.762 -0.020 0.000 1.364 375 H HN 0.100 nan 8.280 nan 0.000 0.490 376 I N 0.850 121.487 120.570 0.112 0.000 2.118 376 I HA -0.282 3.887 4.170 -0.000 0.000 0.241 376 I C 2.464 178.617 176.117 0.059 0.000 1.070 376 I CA 1.532 62.884 61.300 0.087 0.000 1.327 376 I CB -1.077 36.964 38.000 0.068 0.000 1.034 376 I HN 0.342 nan 8.210 nan 0.000 0.405 377 I N 0.224 120.790 120.570 -0.007 0.000 2.127 377 I HA -0.343 3.827 4.170 -0.000 0.000 0.241 377 I C 2.864 178.974 176.117 -0.012 0.000 1.075 377 I CA 1.442 62.732 61.300 -0.018 0.000 1.334 377 I CB -0.507 37.447 38.000 -0.078 0.000 1.040 377 I HN 0.253 nan 8.210 nan 0.000 0.405 378 R N 1.123 121.590 120.500 -0.055 0.000 2.113 378 R HA -0.251 4.089 4.340 -0.000 0.000 0.244 378 R C 2.383 178.670 176.300 -0.021 0.000 1.142 378 R CA 2.076 58.122 56.100 -0.091 0.000 0.953 378 R CB -0.356 29.872 30.300 -0.122 0.000 0.860 378 R HN 0.400 nan 8.270 nan 0.000 0.438 379 A N -0.246 122.590 122.820 0.027 0.000 1.940 379 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 379 A C 2.188 179.843 177.584 0.119 0.000 1.176 379 A CA 2.171 54.249 52.037 0.068 0.000 0.631 379 A CB -0.930 18.133 19.000 0.105 0.000 0.814 379 A HN 0.513 nan 8.150 nan 0.000 0.446 380 T N 0.623 115.250 114.554 0.122 0.000 2.708 380 T HA -0.117 4.232 4.350 -0.000 0.000 0.266 380 T C 1.813 176.580 174.700 0.111 0.000 1.037 380 T CA 1.542 63.731 62.100 0.148 0.000 1.146 380 T CB -0.457 68.507 68.868 0.160 0.000 0.865 380 T HN 0.410 nan 8.240 nan 0.000 0.435 381 L N 0.707 121.974 121.223 0.075 0.000 2.012 381 L HA -0.147 4.192 4.340 -0.000 0.000 0.210 381 L C 2.791 179.667 176.870 0.011 0.000 1.073 381 L CA 1.543 56.424 54.840 0.068 0.000 0.748 381 L CB -0.669 41.468 42.059 0.130 0.000 0.891 381 L HN 0.323 nan 8.230 nan 0.000 0.431 382 E N 0.127 120.280 120.200 -0.078 0.000 2.070 382 E HA -0.261 4.088 4.350 -0.000 0.000 0.197 382 E C 2.353 178.907 176.600 -0.077 0.000 1.004 382 E CA 1.809 58.058 56.400 -0.253 0.000 0.805 382 E CB -0.105 29.372 29.700 -0.372 0.000 0.744 382 E HN 0.570 nan 8.360 nan 0.000 0.451 383 S N 1.242 117.019 115.700 0.129 0.000 2.380 383 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 383 S C 2.074 176.694 174.600 0.033 0.000 1.043 383 S CA 1.287 59.604 58.200 0.195 0.000 1.038 383 S CB -0.685 62.721 63.200 0.345 0.000 0.872 383 S HN 0.221 nan 8.310 nan 0.000 0.456 384 I N 2.961 123.566 120.570 0.058 0.000 2.113 384 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 384 I C 3.139 179.255 176.117 -0.003 0.000 1.057 384 I CA 1.846 63.182 61.300 0.060 0.000 1.314 384 I CB -1.789 36.279 38.000 0.113 0.000 1.022 384 I HN 0.514 nan 8.210 nan 0.000 0.408 385 A N 0.297 123.081 122.820 -0.060 0.000 1.908 385 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 385 A C 2.200 179.597 177.584 -0.312 0.000 1.181 385 A CA 1.553 53.494 52.037 -0.160 0.000 0.627 385 A CB -1.027 17.884 19.000 -0.149 0.000 0.818 385 A HN 0.381 nan 8.150 nan 0.000 0.445 386 Y N 0.032 120.138 120.300 -0.324 0.000 2.097 386 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 386 Y C 2.761 178.418 175.900 -0.406 0.000 1.152 386 Y CA 1.722 59.424 58.100 -0.662 0.000 1.136 386 Y CB -1.033 36.322 38.460 -1.841 0.000 0.975 386 Y HN 0.418 nan 8.280 nan 0.000 0.498 387 Q N -0.726 118.958 119.800 -0.193 0.000 2.062 387 Q HA -0.253 4.087 4.340 -0.000 0.000 0.209 387 Q C 2.234 178.237 176.000 0.006 0.000 0.996 387 Q CA 2.709 58.548 55.803 0.059 0.000 0.859 387 Q CB -0.586 28.191 28.738 0.064 0.000 0.920 387 Q HN 0.448 nan 8.270 nan 0.000 0.415 388 T N 0.277 114.787 114.554 -0.072 0.000 2.684 388 T HA -0.237 4.112 4.350 -0.000 0.000 0.267 388 T C 1.686 176.333 174.700 -0.088 0.000 1.036 388 T CA 1.733 63.774 62.100 -0.098 0.000 1.148 388 T CB -0.277 68.533 68.868 -0.096 0.000 0.863 388 T HN 0.306 nan 8.240 nan 0.000 0.436 389 R N 1.327 121.750 120.500 -0.128 0.000 2.080 389 R HA -0.156 4.184 4.340 -0.000 0.000 0.236 389 R C 1.959 178.240 176.300 -0.032 0.000 1.137 389 R CA 2.187 58.185 56.100 -0.171 0.000 0.943 389 R CB -0.632 29.428 30.300 -0.401 0.000 0.846 389 R HN 0.263 nan 8.270 nan 0.000 0.431 390 D N -0.050 120.442 120.400 0.154 0.000 2.248 390 D HA -0.258 4.382 4.640 -0.000 0.000 0.189 390 D C 1.828 178.176 176.300 0.080 0.000 1.011 390 D CA 2.101 56.266 54.000 0.275 0.000 0.868 390 D CB -0.637 40.349 40.800 0.309 0.000 0.931 390 D HN 0.321 nan 8.370 nan 0.000 0.449 391 V N 0.638 120.560 119.914 0.015 0.000 2.535 391 V HA -0.071 4.049 4.120 -0.000 0.000 0.246 391 V C 2.389 178.476 176.094 -0.012 0.000 1.045 391 V CA 1.164 63.451 62.300 -0.021 0.000 1.058 391 V CB -0.333 31.462 31.823 -0.048 0.000 0.689 391 V HN 0.230 nan 8.190 nan 0.000 0.461 392 L N 1.071 122.278 121.223 -0.027 0.000 1.978 392 L HA -0.233 4.107 4.340 -0.000 0.000 0.218 392 L C 2.760 179.623 176.870 -0.012 0.000 1.075 392 L CA 2.890 57.711 54.840 -0.030 0.000 0.767 392 L CB -0.808 41.217 42.059 -0.057 0.000 0.890 392 L HN 0.506 nan 8.230 nan 0.000 0.434 393 E N 0.567 120.766 120.200 -0.001 0.000 2.070 393 E HA -0.315 4.035 4.350 -0.000 0.000 0.197 393 E C 2.217 178.831 176.600 0.024 0.000 1.004 393 E CA 1.386 57.798 56.400 0.019 0.000 0.805 393 E CB -0.674 29.057 29.700 0.052 0.000 0.744 393 E HN 0.729 nan 8.360 nan 0.000 0.451 394 A N 1.754 124.589 122.820 0.024 0.000 1.903 394 A HA -0.296 4.023 4.320 -0.000 0.000 0.219 394 A C 2.291 179.891 177.584 0.028 0.000 1.191 394 A CA 2.393 54.445 52.037 0.026 0.000 0.638 394 A CB -0.702 18.313 19.000 0.025 0.000 0.823 394 A HN 0.258 nan 8.150 nan 0.000 0.451 395 M N -0.340 119.273 119.600 0.023 0.000 2.115 395 M HA -0.270 4.209 4.480 -0.000 0.000 0.258 395 M C 2.369 178.677 176.300 0.013 0.000 1.071 395 M CA 2.376 57.688 55.300 0.021 0.000 1.100 395 M CB -0.504 32.104 32.600 0.013 0.000 1.292 395 M HN 0.563 nan 8.290 nan 0.000 0.415 396 Q N -0.139 119.664 119.800 0.006 0.000 1.998 396 Q HA -0.271 4.068 4.340 -0.000 0.000 0.209 396 Q C 2.175 178.181 176.000 0.010 0.000 1.002 396 Q CA 2.006 57.811 55.803 0.003 0.000 0.858 396 Q CB -1.017 27.722 28.738 0.002 0.000 0.932 396 Q HN 0.714 nan 8.270 nan 0.000 0.416 397 A N 2.066 124.896 122.820 0.017 0.000 1.873 397 A HA -0.343 3.977 4.320 -0.000 0.000 0.219 397 A C 1.836 179.430 177.584 0.018 0.000 1.269 397 A CA 2.402 54.452 52.037 0.020 0.000 0.671 397 A CB -1.112 17.904 19.000 0.026 0.000 0.842 397 A HN 0.381 nan 8.150 nan 0.000 0.460 398 D N -0.579 119.834 120.400 0.021 0.000 2.095 398 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 398 D C 2.558 178.866 176.300 0.013 0.000 0.990 398 D CA 2.468 56.480 54.000 0.020 0.000 0.836 398 D CB -0.689 40.129 40.800 0.029 0.000 0.979 398 D HN 0.591 nan 8.370 nan 0.000 0.447 399 S N -0.314 115.393 115.700 0.013 0.000 2.420 399 S HA -0.085 4.385 4.470 -0.000 0.000 0.237 399 S C 1.756 176.357 174.600 0.002 0.000 1.023 399 S CA 1.535 59.739 58.200 0.007 0.000 0.991 399 S CB -0.697 62.505 63.200 0.004 0.000 0.792 399 S HN 0.513 nan 8.310 nan 0.000 0.488 400 G N 0.858 109.659 108.800 0.002 0.000 2.246 400 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.273 400 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.273 400 G C -0.131 174.765 174.900 -0.007 0.000 1.055 400 G CA 0.582 45.683 45.100 0.001 0.000 0.851 400 G HN 0.653 nan 8.290 nan 0.000 0.500 401 I N -1.424 119.136 120.570 -0.016 0.000 3.042 401 I HA 0.605 4.775 4.170 -0.000 0.000 0.310 401 I C 0.220 176.305 176.117 -0.054 0.000 1.117 401 I CA -1.244 60.033 61.300 -0.039 0.000 1.003 401 I CB 2.104 40.077 38.000 -0.045 0.000 1.228 401 I HN -0.085 nan 8.210 nan 0.000 0.443 402 R N 3.205 123.639 120.500 -0.110 0.000 2.358 402 R HA 0.427 4.767 4.340 -0.000 0.000 0.309 402 R C -1.529 174.583 176.300 -0.313 0.000 1.026 402 R CA -1.032 54.984 56.100 -0.140 0.000 0.909 402 R CB 1.266 31.529 30.300 -0.061 0.000 1.153 402 R HN 0.327 nan 8.270 nan 0.000 0.515 403 L N 3.043 124.161 121.223 -0.175 0.000 2.410 403 L HA 0.118 4.458 4.340 -0.000 0.000 0.273 403 L C 1.369 178.152 176.870 -0.145 0.000 1.152 403 L CA 0.670 55.402 54.840 -0.180 0.000 0.855 403 L CB 0.426 42.442 42.059 -0.071 0.000 1.129 403 L HN 0.577 nan 8.230 nan 0.000 0.463 404 H N 1.598 120.669 119.070 0.001 0.000 2.575 404 H HA 0.551 5.107 4.556 -0.001 0.000 0.267 404 H C 0.186 175.515 175.328 0.001 0.000 0.966 404 H CA 0.229 56.277 56.048 -0.001 0.000 1.165 404 H CB 0.677 30.440 29.762 0.002 0.000 1.433 404 H HN 0.675 nan 8.280 nan 0.000 0.544 405 A N 0.944 123.822 122.820 0.097 0.000 2.594 405 A HA 0.503 4.822 4.320 -0.000 0.000 0.295 405 A C -1.876 175.727 177.584 0.033 0.000 1.071 405 A CA -0.637 51.438 52.037 0.063 0.000 0.685 405 A CB 1.496 20.536 19.000 0.067 0.000 1.285 405 A HN 0.160 nan 8.150 nan 0.000 0.405 406 L N 1.668 122.912 121.223 0.034 0.000 2.356 406 L HA 0.671 5.011 4.340 -0.000 0.000 0.277 406 L C -0.100 176.797 176.870 0.045 0.000 0.996 406 L CA -0.643 54.214 54.840 0.028 0.000 0.822 406 L CB 1.570 43.639 42.059 0.017 0.000 1.256 406 L HN 0.972 nan 8.230 nan 0.000 0.413 407 R N 4.854 125.380 120.500 0.043 0.000 2.229 407 R HA 0.585 4.925 4.340 -0.000 0.000 0.328 407 R C -0.796 175.549 176.300 0.075 0.000 1.009 407 R CA -0.496 55.637 56.100 0.055 0.000 0.864 407 R CB 1.446 31.772 30.300 0.044 0.000 1.085 407 R HN 0.518 nan 8.270 nan 0.000 0.453 408 V N 0.985 120.959 119.914 0.100 0.000 3.438 408 V HA 0.709 4.829 4.120 -0.000 0.000 0.298 408 V C -0.717 175.462 176.094 0.143 0.000 1.148 408 V CA -0.233 62.166 62.300 0.166 0.000 0.994 408 V CB 1.709 33.697 31.823 0.274 0.000 1.236 408 V HN 1.104 nan 8.190 nan 0.000 0.455 409 D N -1.488 119.041 120.400 0.215 0.000 2.926 409 D HA 0.489 5.128 4.640 -0.000 0.000 0.282 409 D C -0.360 176.073 176.300 0.223 0.000 1.201 409 D CA 0.340 54.436 54.000 0.160 0.000 0.735 409 D CB 0.932 41.792 40.800 0.099 0.000 1.257 409 D HN 2.202 nan 8.370 nan 0.000 0.428 410 G N -1.281 107.609 108.800 0.150 0.000 2.497 410 G HA2 0.400 4.360 3.960 -0.000 0.000 0.686 410 G HA3 0.400 4.360 3.960 -0.000 0.000 0.686 410 G C 0.816 175.790 174.900 0.122 0.000 1.288 410 G CA 0.340 45.534 45.100 0.157 0.000 0.899 410 G HN 1.267 nan 8.290 nan 0.000 0.608 411 G N 0.532 109.403 108.800 0.119 0.000 2.833 411 G HA2 0.046 4.005 3.960 -0.000 0.000 0.226 411 G HA3 0.046 4.005 3.960 -0.000 0.000 0.226 411 G C 2.228 177.174 174.900 0.077 0.000 1.228 411 G CA 3.535 48.693 45.100 0.098 0.000 0.779 411 G HN 2.308 nan 8.290 nan 0.000 0.651 412 A N 0.050 122.915 122.820 0.076 0.000 2.131 412 A HA 0.109 4.429 4.320 -0.000 0.000 0.220 412 A C 2.580 180.099 177.584 -0.108 0.000 1.158 412 A CA 2.305 54.343 52.037 0.002 0.000 0.665 412 A CB -0.663 18.330 19.000 -0.011 0.000 0.795 412 A HN 1.261 nan 8.150 nan 0.000 0.460 413 V N -3.040 116.803 119.914 -0.120 0.000 3.241 413 V HA 0.033 4.152 4.120 -0.000 0.000 0.269 413 V C 2.125 178.173 176.094 -0.078 0.000 1.151 413 V CA 1.503 63.685 62.300 -0.196 0.000 1.158 413 V CB -1.342 30.398 31.823 -0.138 0.000 0.764 413 V HN 0.490 nan 8.190 nan 0.000 0.508 414 A N 0.877 123.697 122.820 -0.001 0.000 2.070 414 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 414 A C 1.464 179.095 177.584 0.078 0.000 1.159 414 A CA 1.298 53.372 52.037 0.062 0.000 0.656 414 A CB -1.014 18.044 19.000 0.097 0.000 0.800 414 A HN 0.721 nan 8.150 nan 0.000 0.453 415 N N 0.638 119.353 118.700 0.024 0.000 2.399 415 N HA 0.050 4.790 4.740 -0.000 0.000 0.259 415 N C 0.690 176.197 175.510 -0.006 0.000 1.160 415 N CA -0.246 52.821 53.050 0.029 0.000 0.946 415 N CB 0.278 38.771 38.487 0.010 0.000 1.156 415 N HN 0.273 nan 8.380 nan 0.000 0.489 416 N N 2.656 121.417 118.700 0.102 0.000 2.135 416 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 416 N C 1.321 176.906 175.510 0.125 0.000 1.027 416 N CA 0.786 53.943 53.050 0.179 0.000 0.849 416 N CB -0.362 38.302 38.487 0.294 0.000 1.002 416 N HN 0.574 nan 8.380 nan 0.000 0.425 417 F N 2.407 122.373 119.950 0.027 0.000 2.063 417 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 417 F C 2.255 178.046 175.800 -0.015 0.000 1.109 417 F CA 1.233 59.241 58.000 0.013 0.000 1.212 417 F CB -0.579 38.404 39.000 -0.029 0.000 0.973 417 F HN -0.018 nan 8.300 nan 0.000 0.480 418 L N -0.223 120.949 121.223 -0.085 0.000 1.956 418 L HA -0.311 4.029 4.340 -0.000 0.000 0.216 418 L C 2.554 179.198 176.870 -0.376 0.000 1.073 418 L CA 1.916 56.617 54.840 -0.231 0.000 0.762 418 L CB -0.491 41.496 42.059 -0.120 0.000 0.889 418 L HN 0.251 nan 8.230 nan 0.000 0.433 419 M N -0.745 118.573 119.600 -0.471 0.000 2.088 419 M HA -0.297 4.182 4.480 -0.000 0.000 0.256 419 M C 2.178 178.049 176.300 -0.714 0.000 1.071 419 M CA 1.944 56.763 55.300 -0.802 0.000 1.097 419 M CB -1.495 30.248 32.600 -1.428 0.000 1.315 419 M HN 0.347 nan 8.290 nan 0.000 0.406 420 Q N 0.383 119.905 119.800 -0.463 0.000 1.985 420 Q HA -0.205 4.135 4.340 -0.000 0.000 0.207 420 Q C 1.977 177.859 176.000 -0.197 0.000 0.996 420 Q CA 2.096 57.850 55.803 -0.082 0.000 0.851 420 Q CB -1.032 27.781 28.738 0.125 0.000 0.921 420 Q HN 0.418 nan 8.270 nan 0.000 0.418 421 F N 0.969 120.604 119.950 -0.525 0.000 2.115 421 F HA -0.310 4.217 4.527 -0.001 0.000 0.300 421 F C 2.281 177.848 175.800 -0.388 0.000 1.092 421 F CA 2.354 60.030 58.000 -0.540 0.000 1.245 421 F CB -0.623 37.848 39.000 -0.881 0.000 0.995 421 F HN 0.340 nan 8.300 nan 0.000 0.481 422 Q N 0.657 120.241 119.800 -0.359 0.000 2.030 422 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 422 Q C 2.523 178.314 176.000 -0.348 0.000 0.986 422 Q CA 2.841 58.429 55.803 -0.358 0.000 0.843 422 Q CB -0.818 27.768 28.738 -0.253 0.000 0.904 422 Q HN 0.504 nan 8.270 nan 0.000 0.420 423 S N -0.230 115.311 115.700 -0.264 0.000 2.356 423 S HA -0.205 4.265 4.470 -0.000 0.000 0.223 423 S C 1.576 176.048 174.600 -0.212 0.000 1.032 423 S CA 1.419 59.517 58.200 -0.170 0.000 1.005 423 S CB -0.725 62.444 63.200 -0.051 0.000 0.867 423 S HN 0.486 nan 8.310 nan 0.000 0.449 424 D N 1.265 121.507 120.400 -0.263 0.000 2.126 424 D HA -0.121 4.519 4.640 -0.000 0.000 0.190 424 D C 1.786 177.877 176.300 -0.348 0.000 1.001 424 D CA 1.449 55.280 54.000 -0.281 0.000 0.841 424 D CB -0.529 40.084 40.800 -0.311 0.000 0.949 424 D HN 0.476 nan 8.370 nan 0.000 0.446 425 I N 0.140 120.368 120.570 -0.571 0.000 2.676 425 I HA -0.152 4.018 4.170 -0.000 0.000 0.259 425 I C 1.835 177.739 176.117 -0.356 0.000 1.194 425 I CA 0.509 61.496 61.300 -0.522 0.000 1.473 425 I CB 0.109 37.604 38.000 -0.841 0.000 1.096 425 I HN -0.077 nan 8.210 nan 0.000 0.443 426 L N 0.675 121.714 121.223 -0.307 0.000 2.095 426 L HA 0.262 4.602 4.340 -0.000 0.000 0.204 426 L C 1.783 178.565 176.870 -0.146 0.000 1.080 426 L CA 1.578 56.286 54.840 -0.219 0.000 0.759 426 L CB -1.592 40.366 42.059 -0.169 0.000 0.914 426 L HN 0.415 nan 8.230 nan 0.000 0.439 427 G N -0.419 108.307 108.800 -0.124 0.000 2.171 427 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.238 427 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.238 427 G C 0.365 175.240 174.900 -0.041 0.000 1.039 427 G CA 0.445 45.501 45.100 -0.073 0.000 0.759 427 G HN 0.408 nan 8.290 nan 0.000 0.501 428 T N -0.770 113.758 114.554 -0.043 0.000 2.868 428 T HA 0.606 4.955 4.350 -0.000 0.000 0.306 428 T C 0.158 174.858 174.700 -0.001 0.000 1.224 428 T CA -0.278 61.818 62.100 -0.006 0.000 1.012 428 T CB 1.460 70.332 68.868 0.007 0.000 1.221 428 T HN 0.753 nan 8.240 nan 0.000 0.499 429 R N 1.583 122.101 120.500 0.030 0.000 2.531 429 R HA 0.690 5.029 4.340 -0.000 0.000 0.273 429 R C -1.253 175.082 176.300 0.059 0.000 1.070 429 R CA -0.340 55.790 56.100 0.050 0.000 1.112 429 R CB 0.475 30.807 30.300 0.054 0.000 1.049 429 R HN 0.339 nan 8.270 nan 0.000 0.508 430 V N 2.419 122.394 119.914 0.102 0.000 2.513 430 V HA 0.285 4.405 4.120 -0.000 0.000 0.299 430 V C -0.515 175.674 176.094 0.159 0.000 1.035 430 V CA -0.725 61.627 62.300 0.086 0.000 0.889 430 V CB 1.795 33.606 31.823 -0.021 0.000 0.988 430 V HN 0.839 nan 8.190 nan 0.000 0.440 431 E N 3.400 123.668 120.200 0.113 0.000 2.155 431 E HA 0.464 4.814 4.350 -0.000 0.000 0.264 431 E C -0.609 176.058 176.600 0.112 0.000 0.886 431 E CA -0.616 55.855 56.400 0.119 0.000 0.752 431 E CB 2.102 31.849 29.700 0.078 0.000 1.133 431 E HN 0.463 nan 8.360 nan 0.000 0.414 432 R N 4.556 125.144 120.500 0.146 0.000 2.215 432 R HA 0.291 4.630 4.340 -0.000 0.000 0.336 432 R C -2.413 173.941 176.300 0.089 0.000 0.996 432 R CA -2.085 54.089 56.100 0.123 0.000 0.847 432 R CB 0.599 31.012 30.300 0.188 0.000 1.127 432 R HN 0.260 nan 8.270 nan 0.000 0.465 433 P HA 0.020 nan 4.420 nan 0.000 0.272 433 P C -0.197 177.132 177.300 0.049 0.000 1.240 433 P CA -0.095 63.035 63.100 0.050 0.000 0.791 433 P CB 0.891 32.614 31.700 0.039 0.000 0.978 434 E N 0.162 120.385 120.200 0.039 0.000 2.046 434 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 434 E C 0.673 177.295 176.600 0.035 0.000 0.982 434 E CA 0.697 57.119 56.400 0.036 0.000 0.800 434 E CB -0.281 29.436 29.700 0.030 0.000 0.756 434 E HN 0.162 nan 8.360 nan 0.000 0.449 435 V N 0.262 120.195 119.914 0.033 0.000 3.083 435 V HA 0.143 4.263 4.120 -0.000 0.000 0.306 435 V C 0.711 176.824 176.094 0.031 0.000 1.077 435 V CA -0.163 62.155 62.300 0.031 0.000 1.073 435 V CB 1.390 33.230 31.823 0.029 0.000 1.081 435 V HN 0.218 nan 8.190 nan 0.000 0.474 436 R N 1.642 122.160 120.500 0.030 0.000 2.435 436 R HA 0.239 4.579 4.340 -0.000 0.000 0.221 436 R C 0.140 176.457 176.300 0.028 0.000 0.885 436 R CA 0.081 56.201 56.100 0.033 0.000 1.018 436 R CB 0.262 30.585 30.300 0.038 0.000 1.259 436 R HN 0.662 nan 8.270 nan 0.000 0.597 437 E N 1.705 121.916 120.200 0.018 0.000 2.280 437 E HA 0.079 4.429 4.350 -0.000 0.000 0.279 437 E C 1.202 177.789 176.600 -0.022 0.000 1.325 437 E CA -0.112 56.294 56.400 0.009 0.000 1.486 437 E CB 0.459 30.166 29.700 0.011 0.000 1.466 437 E HN -0.090 nan 8.360 nan 0.000 0.473 438 V N -0.661 119.239 119.914 -0.024 0.000 2.469 438 V HA -0.290 3.830 4.120 -0.000 0.000 0.251 438 V C 2.001 178.037 176.094 -0.096 0.000 1.064 438 V CA 1.976 64.235 62.300 -0.068 0.000 1.066 438 V CB -0.766 31.038 31.823 -0.032 0.000 0.667 438 V HN 0.432 nan 8.190 nan 0.000 0.461 439 T N 0.462 114.989 114.554 -0.044 0.000 2.777 439 T HA -0.033 4.316 4.350 -0.000 0.000 0.266 439 T C 2.052 176.715 174.700 -0.062 0.000 1.040 439 T CA 1.767 63.842 62.100 -0.042 0.000 1.141 439 T CB -0.323 68.542 68.868 -0.006 0.000 0.868 439 T HN 0.633 nan 8.240 nan 0.000 0.444 440 A N 0.592 123.383 122.820 -0.048 0.000 1.970 440 A HA 0.191 4.510 4.320 -0.000 0.000 0.216 440 A C 2.231 179.765 177.584 -0.084 0.000 1.170 440 A CA 0.641 52.655 52.037 -0.038 0.000 0.645 440 A CB -0.658 18.339 19.000 -0.005 0.000 0.816 440 A HN 0.440 nan 8.150 nan 0.000 0.447 441 L N -0.365 120.771 121.223 -0.146 0.000 1.978 441 L HA -0.242 4.098 4.340 -0.000 0.000 0.218 441 L C 2.839 179.304 176.870 -0.675 0.000 1.075 441 L CA 1.524 56.179 54.840 -0.309 0.000 0.767 441 L CB -1.030 40.843 42.059 -0.310 0.000 0.890 441 L HN 0.496 nan 8.230 nan 0.000 0.434 442 G N -0.693 107.779 108.800 -0.547 0.000 2.777 442 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.217 442 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.217 442 G C 1.627 176.455 174.900 -0.119 0.000 1.295 442 G CA 1.367 46.266 45.100 -0.335 0.000 0.800 442 G HN 0.554 nan 8.290 nan 0.000 0.637 443 A N 0.796 123.585 122.820 -0.052 0.000 1.997 443 A HA 0.070 4.390 4.320 -0.000 0.000 0.221 443 A C 2.802 180.421 177.584 0.059 0.000 1.172 443 A CA 2.857 54.899 52.037 0.009 0.000 0.645 443 A CB -0.866 18.140 19.000 0.010 0.000 0.813 443 A HN 1.121 nan 8.150 nan 0.000 0.454 444 A N -0.770 122.088 122.820 0.063 0.000 1.828 444 A HA 0.001 4.320 4.320 -0.000 0.000 0.215 444 A C 1.981 179.720 177.584 0.257 0.000 1.203 444 A CA 1.556 53.678 52.037 0.142 0.000 0.614 444 A CB -1.055 18.037 19.000 0.153 0.000 0.844 444 A HN 0.524 nan 8.150 nan 0.000 0.445 445 Y N 0.031 120.334 120.300 0.004 0.000 2.003 445 Y HA -0.295 4.255 4.550 -0.000 0.000 0.261 445 Y C 2.438 178.429 175.900 0.152 0.000 1.211 445 Y CA 0.864 58.970 58.100 0.010 0.000 1.098 445 Y CB -1.504 36.957 38.460 0.001 0.000 0.925 445 Y HN 0.129 nan 8.280 nan 0.000 0.498 446 L N -0.401 121.038 121.223 0.359 0.000 1.991 446 L HA -0.313 4.027 4.340 -0.000 0.000 0.221 446 L C 2.603 179.563 176.870 0.150 0.000 1.079 446 L CA 2.446 57.393 54.840 0.179 0.000 0.778 446 L CB -1.833 40.245 42.059 0.031 0.000 0.893 446 L HN 0.341 nan 8.230 nan 0.000 0.437 447 A N -0.729 122.179 122.820 0.146 0.000 1.902 447 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 447 A C 2.372 180.042 177.584 0.145 0.000 1.181 447 A CA 1.750 53.856 52.037 0.115 0.000 0.623 447 A CB -1.069 17.993 19.000 0.104 0.000 0.818 447 A HN 0.496 nan 8.150 nan 0.000 0.443 448 G N -0.948 107.986 108.800 0.224 0.000 2.430 448 G HA2 0.001 3.960 3.960 -0.000 0.000 0.216 448 G HA3 0.001 3.960 3.960 -0.000 0.000 0.216 448 G C 1.339 176.460 174.900 0.368 0.000 1.146 448 G CA 0.804 46.093 45.100 0.315 0.000 0.793 448 G HN 0.342 nan 8.290 nan 0.000 0.537 449 L N 1.311 122.726 121.223 0.321 0.000 2.156 449 L HA 0.252 4.592 4.340 -0.000 0.000 0.208 449 L C 2.689 179.659 176.870 0.167 0.000 1.095 449 L CA 1.428 56.427 54.840 0.264 0.000 0.770 449 L CB -0.867 41.339 42.059 0.246 0.000 0.914 449 L HN 0.252 nan 8.230 nan 0.000 0.439 450 A N -2.123 120.768 122.820 0.118 0.000 2.291 450 A HA 0.195 4.515 4.320 -0.000 0.000 0.220 450 A C 1.611 179.218 177.584 0.038 0.000 1.262 450 A CA 0.671 52.730 52.037 0.035 0.000 0.867 450 A CB -0.159 18.817 19.000 -0.040 0.000 0.888 450 A HN 0.199 nan 8.150 nan 0.000 0.487 451 V N -2.556 117.421 119.914 0.105 0.000 3.432 451 V HA 0.378 4.497 4.120 -0.000 0.000 0.290 451 V C 1.338 177.504 176.094 0.120 0.000 1.591 451 V CA 0.934 63.296 62.300 0.103 0.000 1.069 451 V CB 0.093 31.993 31.823 0.129 0.000 0.892 451 V HN 1.113 nan 8.190 nan 0.000 0.436 452 G N 0.554 109.438 108.800 0.139 0.000 2.253 452 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.251 452 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.251 452 G C 0.763 175.735 174.900 0.120 0.000 0.998 452 G CA 0.706 45.867 45.100 0.102 0.000 0.621 452 G HN 0.545 nan 8.290 nan 0.000 0.524 453 F N 0.537 120.493 119.950 0.011 0.000 2.236 453 F HA 0.234 4.761 4.527 -0.000 0.000 0.302 453 F C 1.020 176.703 175.800 -0.196 0.000 1.073 453 F CA 1.290 59.226 58.000 -0.106 0.000 1.336 453 F CB 0.119 39.046 39.000 -0.122 0.000 1.040 453 F HN 0.290 nan 8.300 nan 0.000 0.507 454 W N 0.128 121.607 121.300 0.298 0.000 3.127 454 W HA 0.295 4.955 4.660 -0.000 0.000 0.330 454 W C -0.383 176.197 176.519 0.102 0.000 1.187 454 W CA -0.548 56.900 57.345 0.172 0.000 1.198 454 W CB 1.077 30.561 29.460 0.040 0.000 1.408 454 W HN -0.108 nan 8.180 nan 0.000 0.529 455 Q N 1.997 122.010 119.800 0.356 0.000 2.215 455 Q HA 0.249 4.588 4.340 -0.000 0.000 0.337 455 Q C -0.432 175.665 176.000 0.162 0.000 0.887 455 Q CA -0.270 55.659 55.803 0.209 0.000 1.134 455 Q CB 0.850 29.667 28.738 0.132 0.000 1.303 455 Q HN 0.389 nan 8.270 nan 0.000 0.421 456 N N 0.159 118.954 118.700 0.158 0.000 5.138 456 N HA -0.068 4.672 4.740 -0.000 0.000 0.189 456 N C -1.109 174.383 175.510 -0.030 0.000 1.111 456 N CA -0.401 52.691 53.050 0.071 0.000 0.891 456 N CB 0.219 38.745 38.487 0.065 0.000 1.562 456 N HN 0.108 nan 8.380 nan 0.000 0.570 457 L N 2.089 123.271 121.223 -0.068 0.000 2.162 457 L HA 0.110 4.450 4.340 -0.000 0.000 0.205 457 L C 1.409 178.184 176.870 -0.159 0.000 1.086 457 L CA 1.583 56.318 54.840 -0.175 0.000 0.778 457 L CB -1.416 40.557 42.059 -0.144 0.000 0.928 457 L HN 0.670 nan 8.230 nan 0.000 0.446 458 D N -0.303 120.054 120.400 -0.073 0.000 2.389 458 D HA -0.173 4.466 4.640 -0.000 0.000 0.221 458 D C 1.834 178.110 176.300 -0.041 0.000 0.974 458 D CA 0.579 54.551 54.000 -0.047 0.000 0.923 458 D CB 0.253 41.046 40.800 -0.012 0.000 0.892 458 D HN 0.479 nan 8.370 nan 0.000 0.518 459 E N 0.005 120.171 120.200 -0.057 0.000 2.005 459 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 459 E C 1.771 178.304 176.600 -0.111 0.000 0.987 459 E CA 0.693 57.083 56.400 -0.016 0.000 0.814 459 E CB -0.101 29.648 29.700 0.082 0.000 0.772 459 E HN 0.208 nan 8.360 nan 0.000 0.453 460 L N 1.536 122.554 121.223 -0.342 0.000 2.275 460 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 460 L C 2.237 178.977 176.870 -0.216 0.000 1.119 460 L CA 1.127 55.690 54.840 -0.461 0.000 0.790 460 L CB -0.600 40.777 42.059 -1.136 0.000 0.919 460 L HN 0.086 nan 8.230 nan 0.000 0.443 461 Q N 0.085 119.790 119.800 -0.158 0.000 2.389 461 Q HA -0.252 4.088 4.340 -0.000 0.000 0.213 461 Q C 1.498 177.471 176.000 -0.045 0.000 0.989 461 Q CA 1.142 56.893 55.803 -0.086 0.000 0.891 461 Q CB -0.047 28.655 28.738 -0.060 0.000 0.923 461 Q HN 0.496 nan 8.270 nan 0.000 0.455 462 E N -0.183 119.997 120.200 -0.034 0.000 2.481 462 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 462 E C 1.141 177.742 176.600 0.001 0.000 1.047 462 E CA 0.380 56.776 56.400 -0.007 0.000 0.867 462 E CB 0.216 29.921 29.700 0.008 0.000 0.858 462 E HN 0.006 nan 8.360 nan 0.000 0.513 463 K N 0.018 120.415 120.400 -0.005 0.000 2.487 463 K HA 0.188 4.508 4.320 -0.000 0.000 0.192 463 K C 0.366 176.973 176.600 0.011 0.000 1.027 463 K CA 0.137 56.432 56.287 0.012 0.000 1.054 463 K CB 0.284 32.799 32.500 0.025 0.000 0.824 463 K HN -0.035 nan 8.250 nan 0.000 0.510 464 A N 1.567 124.388 122.820 0.002 0.000 3.117 464 A HA 0.218 4.538 4.320 -0.000 0.000 0.255 464 A C 0.122 177.712 177.584 0.010 0.000 1.583 464 A CA -0.390 51.649 52.037 0.003 0.000 1.234 464 A CB -0.462 18.533 19.000 -0.008 0.000 1.076 464 A HN -0.085 nan 8.150 nan 0.000 0.653 465 V N 1.162 121.085 119.914 0.016 0.000 2.555 465 V HA 0.139 4.259 4.120 -0.000 0.000 0.286 465 V C 0.337 176.445 176.094 0.024 0.000 1.044 465 V CA -0.461 61.851 62.300 0.019 0.000 1.026 465 V CB 0.896 32.731 31.823 0.020 0.000 0.981 465 V HN 0.447 nan 8.190 nan 0.000 0.480 466 I N 4.669 125.253 120.570 0.024 0.000 2.291 466 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 466 I C 1.445 177.580 176.117 0.030 0.000 1.064 466 I CA 0.155 61.475 61.300 0.032 0.000 1.269 466 I CB 0.756 38.777 38.000 0.035 0.000 1.418 466 I HN 0.928 nan 8.210 nan 0.000 0.485 467 E N 6.884 127.107 120.200 0.039 0.000 2.028 467 E HA -0.123 4.226 4.350 -0.000 0.000 0.190 467 E C 0.417 177.032 176.600 0.024 0.000 0.984 467 E CA 0.809 57.228 56.400 0.032 0.000 0.800 467 E CB 0.472 30.197 29.700 0.041 0.000 0.758 467 E HN 0.275 nan 8.360 nan 0.000 0.448 468 R N 1.062 121.595 120.500 0.056 0.000 2.562 468 R HA 0.312 4.652 4.340 -0.000 0.000 0.298 468 R C -1.340 174.996 176.300 0.059 0.000 0.961 468 R CA -0.622 55.494 56.100 0.025 0.000 0.881 468 R CB 1.634 31.997 30.300 0.104 0.000 1.159 468 R HN 0.266 nan 8.270 nan 0.000 0.450 469 E N 3.223 123.379 120.200 -0.074 0.000 2.176 469 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 469 E C -1.358 175.153 176.600 -0.149 0.000 0.893 469 E CA -0.430 55.963 56.400 -0.012 0.000 0.761 469 E CB 0.777 30.467 29.700 -0.017 0.000 1.133 469 E HN 0.301 nan 8.360 nan 0.000 0.409 470 F N 3.265 123.203 119.950 -0.021 0.000 2.426 470 F HA 0.494 5.020 4.527 -0.000 0.000 0.348 470 F C 0.356 176.133 175.800 -0.038 0.000 1.124 470 F CA -0.697 57.283 58.000 -0.034 0.000 1.008 470 F CB 1.611 40.580 39.000 -0.051 0.000 1.139 470 F HN 0.309 nan 8.300 nan 0.000 0.452 471 R N 3.770 124.335 120.500 0.107 0.000 2.514 471 R HA 0.485 4.825 4.340 -0.000 0.000 0.301 471 R C -2.606 173.716 176.300 0.036 0.000 0.962 471 R CA -1.949 54.178 56.100 0.044 0.000 0.882 471 R CB 1.518 31.819 30.300 0.001 0.000 1.143 471 R HN 0.257 nan 8.270 nan 0.000 0.452 472 P HA 0.095 nan 4.420 nan 0.000 0.271 472 P C -0.017 177.275 177.300 -0.014 0.000 1.218 472 P CA -0.077 63.010 63.100 -0.022 0.000 0.780 472 P CB 0.856 32.530 31.700 -0.042 0.000 0.901 473 G N 1.232 110.022 108.800 -0.017 0.000 4.658 473 G HA2 0.370 4.329 3.960 -0.000 0.000 0.279 473 G HA3 0.370 4.329 3.960 -0.000 0.000 0.279 473 G C -0.648 174.251 174.900 -0.001 0.000 0.997 473 G CA 0.231 45.329 45.100 -0.004 0.000 0.765 473 G HN 0.323 nan 8.290 nan 0.000 0.442 474 I N 0.433 120.996 120.570 -0.013 0.000 2.647 474 I HA 0.470 4.640 4.170 -0.000 0.000 0.295 474 I C -0.331 175.785 176.117 -0.002 0.000 1.078 474 I CA -1.986 59.313 61.300 -0.002 0.000 1.048 474 I CB 2.368 40.362 38.000 -0.010 0.000 1.239 474 I HN 0.060 nan 8.210 nan 0.000 0.421 475 E N 1.737 121.945 120.200 0.014 0.000 2.345 475 E HA 0.175 4.524 4.350 -0.000 0.000 0.259 475 E C 0.797 177.414 176.600 0.029 0.000 1.117 475 E CA 0.032 56.442 56.400 0.017 0.000 0.913 475 E CB 0.961 30.674 29.700 0.021 0.000 1.057 475 E HN 0.627 nan 8.360 nan 0.000 0.432 476 T N 0.503 115.073 114.554 0.027 0.000 2.918 476 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 476 T C 1.163 175.903 174.700 0.068 0.000 1.104 476 T CA 1.965 64.088 62.100 0.038 0.000 1.114 476 T CB -0.087 68.800 68.868 0.031 0.000 0.855 476 T HN 0.484 nan 8.240 nan 0.000 0.518 477 T N 0.344 114.943 114.554 0.075 0.000 3.004 477 T HA 0.076 4.426 4.350 -0.000 0.000 0.243 477 T C 1.768 176.573 174.700 0.175 0.000 1.020 477 T CA 0.095 62.263 62.100 0.113 0.000 1.145 477 T CB -0.077 68.842 68.868 0.085 0.000 0.876 477 T HN 0.179 nan 8.240 nan 0.000 0.449 478 E N 2.031 122.313 120.200 0.136 0.000 2.119 478 E HA -0.253 4.097 4.350 -0.000 0.000 0.221 478 E C 2.303 179.058 176.600 0.258 0.000 1.062 478 E CA 1.564 58.066 56.400 0.170 0.000 0.894 478 E CB -0.346 29.416 29.700 0.103 0.000 0.785 478 E HN 0.338 nan 8.360 nan 0.000 0.472 479 R N -0.011 120.586 120.500 0.161 0.000 2.154 479 R HA -0.182 4.158 4.340 -0.000 0.000 0.236 479 R C 2.140 178.569 176.300 0.216 0.000 1.121 479 R CA 2.017 58.196 56.100 0.132 0.000 0.915 479 R CB -0.600 29.722 30.300 0.036 0.000 0.856 479 R HN 0.366 nan 8.270 nan 0.000 0.431 480 N N -0.365 118.453 118.700 0.197 0.000 2.166 480 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 480 N C 1.820 177.452 175.510 0.204 0.000 1.019 480 N CA 1.239 54.417 53.050 0.214 0.000 0.856 480 N CB -0.462 38.123 38.487 0.164 0.000 0.993 480 N HN 0.308 nan 8.380 nan 0.000 0.426 481 Y N 3.473 123.865 120.300 0.152 0.000 2.040 481 Y HA -0.282 4.267 4.550 -0.001 0.000 0.275 481 Y C 2.439 178.467 175.900 0.213 0.000 1.171 481 Y CA 1.820 60.010 58.100 0.149 0.000 1.123 481 Y CB -0.165 38.373 38.460 0.130 0.000 0.963 481 Y HN -0.034 nan 8.280 nan 0.000 0.493 482 R N -0.584 120.019 120.500 0.172 0.000 2.088 482 R HA -0.263 4.076 4.340 -0.000 0.000 0.232 482 R C 2.120 178.573 176.300 0.256 0.000 1.136 482 R CA 1.906 58.180 56.100 0.291 0.000 0.926 482 R CB -2.105 28.559 30.300 0.608 0.000 0.837 482 R HN 0.466 nan 8.270 nan 0.000 0.429 483 Y N 1.844 122.248 120.300 0.172 0.000 2.096 483 Y HA -0.336 4.214 4.550 -0.000 0.000 0.276 483 Y C 2.565 178.458 175.900 -0.010 0.000 1.209 483 Y CA 1.305 59.476 58.100 0.119 0.000 1.137 483 Y CB -0.997 37.552 38.460 0.148 0.000 0.956 483 Y HN 0.239 nan 8.280 nan 0.000 0.506 484 A N -0.318 122.467 122.820 -0.059 0.000 1.849 484 A HA -0.225 4.094 4.320 -0.000 0.000 0.217 484 A C 2.674 180.013 177.584 -0.408 0.000 1.202 484 A CA 2.420 54.310 52.037 -0.245 0.000 0.629 484 A CB -1.683 17.182 19.000 -0.225 0.000 0.834 484 A HN 0.561 nan 8.150 nan 0.000 0.447 485 G N -1.429 107.093 108.800 -0.464 0.000 2.475 485 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 485 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 485 G C 1.444 175.559 174.900 -1.309 0.000 1.125 485 G CA 1.036 45.712 45.100 -0.708 0.000 0.755 485 G HN 0.745 nan 8.290 nan 0.000 0.565 486 W N 1.739 122.273 121.300 -1.276 0.000 2.322 486 W HA -0.151 4.509 4.660 -0.000 0.000 0.326 486 W C 2.211 178.234 176.519 -0.827 0.000 1.224 486 W CA 1.790 58.444 57.345 -1.150 0.000 1.257 486 W CB -0.353 28.531 29.460 -0.959 0.000 1.174 486 W HN 0.163 nan 8.180 nan 0.000 0.460 487 K N 0.512 120.400 120.400 -0.853 0.000 2.089 487 K HA -0.295 4.025 4.320 -0.000 0.000 0.210 487 K C 2.124 178.288 176.600 -0.727 0.000 1.048 487 K CA 2.121 57.923 56.287 -0.809 0.000 0.926 487 K CB -0.748 31.430 32.500 -0.537 0.000 0.714 487 K HN 0.247 nan 8.250 nan 0.000 0.448 488 K N 1.085 121.091 120.400 -0.658 0.000 2.001 488 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 488 K C 2.250 178.395 176.600 -0.758 0.000 1.050 488 K CA 1.636 57.566 56.287 -0.594 0.000 0.934 488 K CB -0.227 31.965 32.500 -0.514 0.000 0.718 488 K HN 0.142 nan 8.250 nan 0.000 0.443 489 A N 0.876 123.105 122.820 -0.985 0.000 1.917 489 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 489 A C 2.299 179.273 177.584 -1.017 0.000 1.182 489 A CA 2.116 53.417 52.037 -1.227 0.000 0.633 489 A CB -0.842 17.523 19.000 -1.058 0.000 0.819 489 A HN 0.234 nan 8.150 nan 0.000 0.448 490 V N 0.243 119.550 119.914 -1.013 0.000 2.255 490 V HA -0.358 3.762 4.120 -0.000 0.000 0.247 490 V C 2.346 178.084 176.094 -0.593 0.000 1.051 490 V CA 2.418 64.189 62.300 -0.881 0.000 1.018 490 V CB -1.053 30.098 31.823 -1.120 0.000 0.641 490 V HN 0.559 nan 8.190 nan 0.000 0.445 491 K N 0.180 120.260 120.400 -0.534 0.000 2.049 491 K HA -0.305 4.015 4.320 -0.000 0.000 0.219 491 K C 2.303 178.756 176.600 -0.245 0.000 1.056 491 K CA 2.344 58.428 56.287 -0.339 0.000 0.946 491 K CB -0.400 31.924 32.500 -0.293 0.000 0.723 491 K HN 0.287 nan 8.250 nan 0.000 0.453 492 R N -0.027 120.294 120.500 -0.298 0.000 2.249 492 R HA -0.098 4.241 4.340 -0.000 0.000 0.230 492 R C 1.844 178.180 176.300 0.060 0.000 1.121 492 R CA 1.223 57.249 56.100 -0.124 0.000 0.997 492 R CB -0.162 30.030 30.300 -0.179 0.000 0.867 492 R HN 0.307 nan 8.270 nan 0.000 0.465 493 A N 0.006 122.808 122.820 -0.030 0.000 2.197 493 A HA 0.216 4.536 4.320 -0.000 0.000 0.210 493 A C 0.655 178.256 177.584 0.029 0.000 1.180 493 A CA -0.238 51.816 52.037 0.029 0.000 0.846 493 A CB 0.003 18.980 19.000 -0.039 0.000 0.884 493 A HN 0.127 nan 8.150 nan 0.000 0.487 494 M N -1.580 118.001 119.600 -0.032 0.000 2.245 494 M HA 0.464 4.944 4.480 -0.000 0.000 0.330 494 M C 0.801 177.176 176.300 0.124 0.000 1.098 494 M CA 0.548 55.859 55.300 0.019 0.000 1.172 494 M CB -0.214 32.364 32.600 -0.036 0.000 1.467 494 M HN 0.847 nan 8.290 nan 0.000 0.454 495 A N 1.178 124.108 122.820 0.183 0.000 2.791 495 A HA -0.147 4.173 4.320 -0.000 0.000 0.292 495 A C 0.685 178.377 177.584 0.180 0.000 1.487 495 A CA 1.117 53.257 52.037 0.173 0.000 0.760 495 A CB -2.335 16.711 19.000 0.077 0.000 1.031 495 A HN 1.136 nan 8.150 nan 0.000 0.503 496 W N -0.027 121.320 121.300 0.079 0.000 2.444 496 W HA 0.096 4.755 4.660 -0.001 0.000 0.308 496 W C 0.834 177.396 176.519 0.073 0.000 1.183 496 W CA 1.355 58.724 57.345 0.041 0.000 1.340 496 W CB -0.088 29.371 29.460 -0.001 0.000 1.138 496 W HN 0.631 nan 8.180 nan 0.000 0.510 497 E N 2.083 122.397 120.200 0.191 0.000 2.415 497 E HA -0.086 4.264 4.350 -0.000 0.000 0.262 497 E C -1.076 175.554 176.600 0.050 0.000 1.038 497 E CA 0.544 57.037 56.400 0.155 0.000 0.921 497 E CB 0.617 30.579 29.700 0.437 0.000 0.950 497 E HN -0.189 nan 8.360 nan 0.000 0.438 498 E N 2.361 122.570 120.200 0.015 0.000 2.081 498 E HA 0.205 4.555 4.350 -0.000 0.000 0.281 498 E C -0.953 175.709 176.600 0.103 0.000 0.986 498 E CA -0.115 56.270 56.400 -0.024 0.000 0.796 498 E CB 0.247 29.890 29.700 -0.095 0.000 1.085 498 E HN 0.549 nan 8.360 nan 0.000 0.398 499 H N 0.000 118.971 119.070 -0.166 0.000 2.539 499 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 499 H CA 0.000 56.007 56.048 -0.069 0.000 1.023 499 H CB 0.000 29.700 29.762 -0.103 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496