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 1bu6_1_Y DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSSTLV EVLTKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIGG KGGTRIPISG 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 RAMAWEEHD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.574 176.600 -0.043 0.000 1.382 2 E CA 0.000 56.375 56.400 -0.042 0.000 0.976 2 E CB 0.000 29.671 29.700 -0.048 0.000 0.812 3 K N 1.180 121.564 120.400 -0.026 0.000 2.299 3 K HA 0.612 4.933 4.320 0.001 0.000 0.268 3 K C 0.379 176.993 176.600 0.022 0.000 1.075 3 K CA 0.286 56.572 56.287 -0.000 0.000 0.936 3 K CB 0.980 33.503 32.500 0.038 0.000 1.228 3 K HN 0.682 nan 8.250 nan 0.000 0.454 4 K N 2.197 122.503 120.400 -0.157 0.000 2.373 4 K HA 0.132 4.453 4.320 0.001 0.000 0.200 4 K C -0.234 176.229 176.600 -0.227 0.000 1.054 4 K CA 0.535 56.675 56.287 -0.244 0.000 1.065 4 K CB 0.285 32.420 32.500 -0.609 0.000 0.886 4 K HN 0.404 nan 8.250 nan 0.000 0.546 5 Y N -1.262 119.060 120.300 0.037 0.000 2.570 5 Y HA 0.719 5.269 4.550 0.001 0.000 0.345 5 Y C -0.511 175.112 175.900 -0.462 0.000 1.014 5 Y CA -2.543 55.474 58.100 -0.139 0.000 1.063 5 Y CB 1.869 40.300 38.460 -0.048 0.000 1.272 5 Y HN 0.045 nan 8.280 nan 0.000 0.477 6 I N 1.335 121.758 120.570 -0.244 0.000 2.582 6 I HA 0.671 4.841 4.170 0.001 0.000 0.292 6 I C -1.596 174.490 176.117 -0.052 0.000 1.066 6 I CA -0.692 60.432 61.300 -0.293 0.000 1.053 6 I CB 1.458 39.115 38.000 -0.572 0.000 1.241 6 I HN 0.355 nan 8.210 nan 0.000 0.421 7 V N 6.386 126.280 119.914 -0.034 0.000 2.555 7 V HA 0.819 4.940 4.120 0.001 0.000 0.302 7 V C -0.151 175.951 176.094 0.013 0.000 1.038 7 V CA -0.599 61.698 62.300 -0.005 0.000 0.887 7 V CB 1.566 33.381 31.823 -0.013 0.000 0.991 7 V HN 0.788 nan 8.190 nan 0.000 0.434 8 A N 4.977 127.807 122.820 0.017 0.000 2.304 8 A HA 0.844 5.164 4.320 0.001 0.000 0.314 8 A C -1.068 176.525 177.584 0.015 0.000 1.187 8 A CA -0.463 51.586 52.037 0.019 0.000 0.810 8 A CB 0.704 19.713 19.000 0.014 0.000 1.183 8 A HN 0.689 nan 8.150 nan 0.000 0.487 9 L N 2.087 123.322 121.223 0.019 0.000 2.305 9 L HA 0.390 4.731 4.340 0.001 0.000 0.281 9 L C -0.080 176.806 176.870 0.027 0.000 1.085 9 L CA 0.273 55.127 54.840 0.023 0.000 0.813 9 L CB 1.221 43.298 42.059 0.030 0.000 1.157 9 L HN 0.628 nan 8.230 nan 0.000 0.436 10 D N 2.655 123.077 120.400 0.036 0.000 2.432 10 D HA 0.069 4.710 4.640 0.001 0.000 0.265 10 D C -0.565 175.779 176.300 0.073 0.000 1.160 10 D CA -0.367 53.660 54.000 0.045 0.000 0.911 10 D CB 0.641 41.465 40.800 0.041 0.000 1.052 10 D HN 0.278 nan 8.370 nan 0.000 0.508 11 Q N 2.054 121.900 119.800 0.076 0.000 2.381 11 Q HA 0.343 4.684 4.340 0.001 0.000 0.243 11 Q C 0.105 176.200 176.000 0.158 0.000 1.154 11 Q CA -0.208 55.661 55.803 0.110 0.000 0.899 11 Q CB 0.720 29.514 28.738 0.093 0.000 1.396 11 Q HN 0.551 nan 8.270 nan 0.000 0.485 12 G N 1.725 110.653 108.800 0.214 0.000 2.522 12 G HA2 0.220 4.180 3.960 0.001 0.000 0.304 12 G HA3 0.220 4.180 3.960 0.001 0.000 0.304 12 G C 0.719 175.848 174.900 0.383 0.000 1.210 12 G CA -0.329 44.919 45.100 0.246 0.000 0.960 12 G HN 0.542 nan 8.290 nan 0.000 0.497 13 T N -0.544 114.247 114.554 0.395 0.000 2.962 13 T HA -0.023 4.328 4.350 0.001 0.000 0.270 13 T C 1.821 176.589 174.700 0.112 0.000 1.088 13 T CA 1.746 64.127 62.100 0.468 0.000 1.127 13 T CB 0.009 69.198 68.868 0.535 0.000 0.883 13 T HN 0.417 nan 8.240 nan 0.000 0.493 14 T N 0.818 115.310 114.554 -0.103 0.000 2.969 14 T HA 0.241 4.592 4.350 0.001 0.000 0.258 14 T C 0.203 174.430 174.700 -0.788 0.000 0.962 14 T CA -0.084 61.680 62.100 -0.560 0.000 0.903 14 T CB 0.462 69.202 68.868 -0.213 0.000 1.177 14 T HN 0.478 nan 8.240 nan 0.000 0.511 15 S N 0.031 115.587 115.700 -0.240 0.000 2.579 15 S HA 0.732 5.203 4.470 0.001 0.000 0.272 15 S C -1.079 173.737 174.600 0.359 0.000 1.141 15 S CA -0.771 57.445 58.200 0.026 0.000 0.843 15 S CB 2.131 65.330 63.200 -0.002 0.000 1.122 15 S HN -0.031 nan 8.310 nan 0.000 0.468 16 S N 0.606 116.508 115.700 0.338 0.000 2.475 16 S HA 0.681 5.152 4.470 0.001 0.000 0.298 16 S C -0.301 174.363 174.600 0.106 0.000 1.119 16 S CA -0.790 57.531 58.200 0.201 0.000 1.085 16 S CB 0.958 64.228 63.200 0.116 0.000 1.028 16 S HN 0.637 nan 8.310 nan 0.000 0.489 17 R N 0.841 121.388 120.500 0.078 0.000 2.854 17 R HA 0.832 5.173 4.340 0.001 0.000 0.271 17 R C -1.207 175.109 176.300 0.026 0.000 0.996 17 R CA -0.640 55.488 56.100 0.046 0.000 0.961 17 R CB 1.820 32.149 30.300 0.047 0.000 1.182 17 R HN 0.677 nan 8.270 nan 0.000 0.479 18 A N 1.521 124.348 122.820 0.012 0.000 2.402 18 A HA 0.594 4.915 4.320 0.001 0.000 0.291 18 A C -1.325 176.257 177.584 -0.003 0.000 1.051 18 A CA -0.588 51.449 52.037 -0.000 0.000 0.716 18 A CB 1.345 20.336 19.000 -0.015 0.000 1.223 18 A HN 0.357 nan 8.150 nan 0.000 0.425 19 V N 1.712 121.625 119.914 -0.001 0.000 2.715 19 V HA 0.726 4.847 4.120 0.001 0.000 0.310 19 V C -0.402 175.688 176.094 -0.007 0.000 1.054 19 V CA -0.712 61.587 62.300 -0.001 0.000 0.928 19 V CB 1.863 33.692 31.823 0.009 0.000 1.007 19 V HN 0.696 nan 8.190 nan 0.000 0.437 20 V N 4.253 124.158 119.914 -0.015 0.000 2.483 20 V HA 0.570 4.691 4.120 0.001 0.000 0.297 20 V C -0.299 175.806 176.094 0.018 0.000 1.027 20 V CA -0.290 61.989 62.300 -0.035 0.000 0.855 20 V CB 1.568 33.312 31.823 -0.131 0.000 0.995 20 V HN 0.877 nan 8.190 nan 0.000 0.424 21 M N 3.660 123.321 119.600 0.101 0.000 2.777 21 M HA 0.618 5.098 4.480 0.001 0.000 0.307 21 M C -0.770 175.776 176.300 0.410 0.000 1.228 21 M CA -0.451 54.996 55.300 0.245 0.000 0.871 21 M CB 2.272 35.080 32.600 0.346 0.000 1.721 21 M HN 0.908 nan 8.290 nan 0.000 0.487 22 D N -1.934 118.766 120.400 0.500 0.000 2.621 22 D HA 0.172 4.813 4.640 0.001 0.000 0.255 22 D C 0.389 177.121 176.300 0.720 0.000 1.122 22 D CA -0.347 54.005 54.000 0.587 0.000 1.096 22 D CB 0.183 41.275 40.800 0.488 0.000 1.282 22 D HN 0.709 nan 8.370 nan 0.000 0.619 23 H N -1.305 118.042 119.070 0.463 0.000 2.489 23 H HA -0.043 4.513 4.556 0.001 0.000 0.293 23 H C 0.439 176.116 175.328 0.581 0.000 1.066 23 H CA 1.555 57.737 56.048 0.223 0.000 1.305 23 H CB 0.223 29.735 29.762 -0.416 0.000 1.386 23 H HN 0.264 nan 8.280 nan 0.000 0.551 24 D N -0.139 120.558 120.400 0.495 0.000 2.363 24 D HA 0.086 4.727 4.640 0.001 0.000 0.226 24 D C 0.903 177.409 176.300 0.342 0.000 1.020 24 D CA 0.956 55.178 54.000 0.370 0.000 0.892 24 D CB -0.015 40.938 40.800 0.257 0.000 0.900 24 D HN 0.536 nan 8.370 nan 0.000 0.531 25 A N 0.277 123.409 122.820 0.520 0.000 3.061 25 A HA -0.220 4.101 4.320 0.001 0.000 0.244 25 A C -0.241 177.514 177.584 0.286 0.000 1.357 25 A CA 0.141 52.426 52.037 0.414 0.000 0.889 25 A CB -2.304 16.766 19.000 0.116 0.000 1.092 25 A HN 0.263 nan 8.150 nan 0.000 0.694 26 N N 0.509 119.378 118.700 0.282 0.000 2.430 26 N HA 0.599 5.340 4.740 0.001 0.000 0.292 26 N C 0.064 175.676 175.510 0.169 0.000 1.051 26 N CA -0.555 52.611 53.050 0.194 0.000 0.917 26 N CB 0.769 39.355 38.487 0.165 0.000 1.164 26 N HN 0.376 nan 8.380 nan 0.000 0.484 27 I N 2.775 123.412 120.570 0.113 0.000 2.452 27 I HA 0.027 4.198 4.170 0.001 0.000 0.287 27 I C 1.120 177.269 176.117 0.054 0.000 1.079 27 I CA -0.176 61.169 61.300 0.076 0.000 1.387 27 I CB 0.217 38.247 38.000 0.051 0.000 1.404 27 I HN 0.441 nan 8.210 nan 0.000 0.522 28 I N 3.028 123.610 120.570 0.019 0.000 2.731 28 I HA 0.072 4.243 4.170 0.001 0.000 0.260 28 I C 1.071 177.167 176.117 -0.035 0.000 1.138 28 I CA 0.804 62.095 61.300 -0.016 0.000 1.461 28 I CB -0.511 37.421 38.000 -0.113 0.000 1.128 28 I HN 0.492 nan 8.210 nan 0.000 0.438 29 S N -0.262 115.410 115.700 -0.046 0.000 2.556 29 S HA 0.764 5.235 4.470 0.001 0.000 0.271 29 S C -1.061 173.525 174.600 -0.024 0.000 1.135 29 S CA -0.401 57.774 58.200 -0.042 0.000 0.858 29 S CB 2.439 65.594 63.200 -0.075 0.000 1.114 29 S HN -0.112 nan 8.310 nan 0.000 0.468 30 V N 2.222 122.128 119.914 -0.014 0.000 2.851 30 V HA 0.800 4.920 4.120 0.001 0.000 0.307 30 V C -0.496 175.595 176.094 -0.005 0.000 1.129 30 V CA -0.590 61.707 62.300 -0.005 0.000 0.932 30 V CB 1.826 33.654 31.823 0.009 0.000 1.024 30 V HN 0.830 nan 8.190 nan 0.000 0.426 31 S N 3.814 119.511 115.700 -0.004 0.000 2.595 31 S HA 0.850 5.320 4.470 0.001 0.000 0.281 31 S C -1.433 173.171 174.600 0.006 0.000 1.117 31 S CA -0.439 57.758 58.200 -0.004 0.000 0.873 31 S CB 2.423 65.613 63.200 -0.016 0.000 1.108 31 S HN 0.882 nan 8.310 nan 0.000 0.477 32 Q N 1.503 121.309 119.800 0.010 0.000 2.352 32 Q HA 0.513 4.854 4.340 0.001 0.000 0.270 32 Q C -1.975 174.039 176.000 0.023 0.000 1.006 32 Q CA -0.602 55.215 55.803 0.023 0.000 0.880 32 Q CB 1.736 30.488 28.738 0.024 0.000 1.392 32 Q HN 0.720 nan 8.270 nan 0.000 0.401 33 R N 1.683 122.210 120.500 0.044 0.000 2.538 33 R HA 0.333 4.674 4.340 0.001 0.000 0.292 33 R C -1.222 175.124 176.300 0.077 0.000 1.008 33 R CA -0.369 55.760 56.100 0.047 0.000 0.896 33 R CB 1.593 31.919 30.300 0.044 0.000 1.187 33 R HN 0.512 nan 8.270 nan 0.000 0.440 34 E N 4.094 124.305 120.200 0.019 0.000 2.331 34 E HA 0.201 4.552 4.350 0.001 0.000 0.272 34 E C -0.539 176.043 176.600 -0.030 0.000 1.036 34 E CA -0.105 56.254 56.400 -0.068 0.000 0.864 34 E CB 0.879 30.510 29.700 -0.116 0.000 1.035 34 E HN 0.360 nan 8.360 nan 0.000 0.408 35 F N -0.959 118.944 119.950 -0.078 0.000 2.594 35 F HA 0.466 4.994 4.527 0.002 0.000 0.335 35 F C 0.242 175.970 175.800 -0.120 0.000 1.058 35 F CA -1.546 56.393 58.000 -0.102 0.000 0.981 35 F CB 0.466 39.393 39.000 -0.121 0.000 1.289 35 F HN 0.282 nan 8.300 nan 0.000 0.490 36 E N 1.041 121.240 120.200 -0.002 0.000 2.331 36 E HA 0.196 4.547 4.350 0.001 0.000 0.272 36 E C -1.070 175.485 176.600 -0.075 0.000 1.036 36 E CA -0.714 55.642 56.400 -0.073 0.000 0.864 36 E CB 0.780 30.468 29.700 -0.019 0.000 1.035 36 E HN 0.544 nan 8.360 nan 0.000 0.408 37 Q N 3.558 123.246 119.800 -0.187 0.000 2.241 37 Q HA 0.431 4.772 4.340 0.001 0.000 0.254 37 Q C -0.272 175.379 176.000 -0.582 0.000 0.917 37 Q CA -0.384 55.230 55.803 -0.314 0.000 0.919 37 Q CB 1.463 29.985 28.738 -0.361 0.000 1.237 37 Q HN 0.537 nan 8.270 nan 0.000 0.434 38 I N 2.550 122.777 120.570 -0.572 0.000 2.466 38 I HA 0.327 4.498 4.170 0.001 0.000 0.289 38 I C -1.156 174.737 176.117 -0.374 0.000 1.026 38 I CA -1.018 60.021 61.300 -0.435 0.000 1.078 38 I CB 1.214 39.132 38.000 -0.137 0.000 1.249 38 I HN 0.461 nan 8.210 nan 0.000 0.429 39 Y N 6.235 126.573 120.300 0.064 0.000 2.609 39 Y HA 0.320 4.870 4.550 0.001 0.000 0.350 39 Y C -1.839 174.089 175.900 0.046 0.000 1.050 39 Y CA -2.085 56.059 58.100 0.073 0.000 1.290 39 Y CB 0.395 38.883 38.460 0.047 0.000 1.094 39 Y HN 0.433 nan 8.280 nan 0.000 0.583 40 P HA 0.032 nan 4.420 nan 0.000 0.236 40 P C -0.325 176.905 177.300 -0.116 0.000 1.177 40 P CA 0.765 63.921 63.100 0.093 0.000 0.773 40 P CB 0.969 32.794 31.700 0.209 0.000 0.878 41 K N -0.447 119.809 120.400 -0.240 0.000 2.542 41 K HA 0.388 4.708 4.320 0.001 0.000 0.259 41 K C -3.115 173.311 176.600 -0.291 0.000 0.932 41 K CA -2.128 53.840 56.287 -0.532 0.000 0.820 41 K CB 2.425 34.034 32.500 -1.484 0.000 1.345 41 K HN -0.280 nan 8.250 nan 0.000 0.432 42 P HA 0.096 nan 4.420 nan 0.000 0.271 42 P C 0.439 177.723 177.300 -0.027 0.000 1.233 42 P CA 0.664 63.718 63.100 -0.078 0.000 0.764 42 P CB 0.673 32.345 31.700 -0.046 0.000 0.825 43 G N 1.292 110.133 108.800 0.069 0.000 2.316 43 G HA2 -0.147 3.814 3.960 0.001 0.000 0.203 43 G HA3 -0.147 3.814 3.960 0.001 0.000 0.203 43 G C -0.733 174.387 174.900 0.366 0.000 0.999 43 G CA -0.717 44.499 45.100 0.193 0.000 0.649 43 G HN 0.301 nan 8.290 nan 0.000 0.489 44 W N 0.734 122.017 121.300 -0.028 0.000 2.512 44 W HA 0.754 5.415 4.660 0.001 0.000 0.335 44 W C 0.006 176.564 176.519 0.065 0.000 1.088 44 W CA -1.311 56.012 57.345 -0.037 0.000 1.236 44 W CB 1.585 31.028 29.460 -0.028 0.000 1.307 44 W HN 0.324 nan 8.180 nan 0.000 0.567 45 V N 1.837 121.843 119.914 0.155 0.000 2.655 45 V HA 0.413 4.534 4.120 0.001 0.000 0.301 45 V C -0.474 175.536 176.094 -0.139 0.000 1.082 45 V CA -1.287 61.039 62.300 0.043 0.000 0.899 45 V CB 1.487 33.277 31.823 -0.054 0.000 1.014 45 V HN 0.520 nan 8.190 nan 0.000 0.429 46 E N 2.642 122.772 120.200 -0.117 0.000 2.359 46 E HA 0.751 5.102 4.350 0.001 0.000 0.266 46 E C -1.514 175.053 176.600 -0.056 0.000 0.920 46 E CA -1.026 55.292 56.400 -0.137 0.000 0.788 46 E CB 2.484 32.145 29.700 -0.064 0.000 1.279 46 E HN 0.720 nan 8.360 nan 0.000 0.438 47 H N 0.053 119.084 119.070 -0.066 0.000 2.895 47 H HA 0.233 4.789 4.556 0.001 0.000 0.373 47 H C -1.277 173.998 175.328 -0.089 0.000 1.174 47 H CA -0.926 55.108 56.048 -0.023 0.000 1.144 47 H CB 1.599 31.371 29.762 0.016 0.000 1.793 47 H HN 0.380 nan 8.280 nan 0.000 0.551 48 D N 2.921 123.357 120.400 0.061 0.000 2.365 48 D HA 0.128 4.768 4.640 0.001 0.000 0.237 48 D C -1.597 174.665 176.300 -0.063 0.000 1.190 48 D CA -1.924 52.062 54.000 -0.024 0.000 0.867 48 D CB 1.508 42.309 40.800 0.001 0.000 1.050 48 D HN 0.183 nan 8.370 nan 0.000 0.491 49 P HA -0.196 nan 4.420 nan 0.000 0.216 49 P C 1.793 179.221 177.300 0.213 0.000 1.153 49 P CA 1.049 63.978 63.100 -0.285 0.000 0.858 49 P CB 0.180 31.313 31.700 -0.946 0.000 0.789 50 M N -0.316 119.404 119.600 0.200 0.000 2.073 50 M HA -0.193 4.288 4.480 0.001 0.000 0.258 50 M C 2.102 178.536 176.300 0.224 0.000 1.070 50 M CA 1.733 57.220 55.300 0.311 0.000 1.103 50 M CB -1.878 30.834 32.600 0.187 0.000 1.321 50 M HN 0.096 nan 8.290 nan 0.000 0.405 51 E N -0.173 120.070 120.200 0.072 0.000 2.150 51 E HA -0.147 4.204 4.350 0.001 0.000 0.193 51 E C 2.072 178.570 176.600 -0.169 0.000 0.985 51 E CA 0.843 57.231 56.400 -0.021 0.000 0.814 51 E CB -0.107 29.586 29.700 -0.011 0.000 0.752 51 E HN 0.414 nan 8.360 nan 0.000 0.466 52 I N 0.574 121.015 120.570 -0.215 0.000 2.226 52 I HA -0.273 3.897 4.170 0.001 0.000 0.245 52 I C 2.227 178.370 176.117 0.043 0.000 1.100 52 I CA 1.234 62.350 61.300 -0.307 0.000 1.374 52 I CB -0.284 37.643 38.000 -0.121 0.000 1.057 52 I HN 0.356 nan 8.210 nan 0.000 0.413 53 W N 1.627 122.939 121.300 0.020 0.000 2.348 53 W HA -0.314 4.346 4.660 0.001 0.000 0.324 53 W C 2.634 179.114 176.519 -0.066 0.000 1.209 53 W CA 1.387 58.716 57.345 -0.026 0.000 1.275 53 W CB -0.373 29.077 29.460 -0.016 0.000 1.175 53 W HN 0.159 nan 8.180 nan 0.000 0.461 54 A N 1.183 123.860 122.820 -0.238 0.000 1.929 54 A HA -0.398 3.922 4.320 0.001 0.000 0.221 54 A C 1.919 179.348 177.584 -0.257 0.000 1.211 54 A CA 4.010 55.843 52.037 -0.341 0.000 0.657 54 A CB -1.734 17.182 19.000 -0.140 0.000 0.827 54 A HN 0.590 nan 8.150 nan 0.000 0.462 55 T N -3.006 111.461 114.554 -0.145 0.000 2.708 55 T HA -0.221 4.130 4.350 0.001 0.000 0.266 55 T C 1.956 176.592 174.700 -0.107 0.000 1.037 55 T CA 1.731 63.780 62.100 -0.085 0.000 1.146 55 T CB -0.444 68.431 68.868 0.013 0.000 0.865 55 T HN 0.414 nan 8.240 nan 0.000 0.435 56 Q N 1.479 121.210 119.800 -0.114 0.000 2.061 56 Q HA -0.063 4.278 4.340 0.001 0.000 0.204 56 Q C 2.572 178.467 176.000 -0.175 0.000 0.984 56 Q CA 2.127 57.879 55.803 -0.086 0.000 0.846 56 Q CB -0.798 27.933 28.738 -0.012 0.000 0.902 56 Q HN 0.624 nan 8.270 nan 0.000 0.421 57 S N -0.044 115.434 115.700 -0.370 0.000 2.353 57 S HA -0.199 4.272 4.470 0.001 0.000 0.222 57 S C 1.961 176.394 174.600 -0.280 0.000 1.035 57 S CA 1.516 59.440 58.200 -0.459 0.000 1.025 57 S CB -0.700 61.979 63.200 -0.868 0.000 0.902 57 S HN 0.690 nan 8.310 nan 0.000 0.440 58 S N 1.621 117.168 115.700 -0.254 0.000 2.447 58 S HA -0.108 4.362 4.470 0.001 0.000 0.233 58 S C 1.930 176.463 174.600 -0.112 0.000 1.006 58 S CA 1.426 59.526 58.200 -0.168 0.000 0.957 58 S CB -0.963 62.150 63.200 -0.145 0.000 0.773 58 S HN 0.726 nan 8.310 nan 0.000 0.507 59 T N 0.142 114.636 114.554 -0.100 0.000 2.896 59 T HA 0.099 4.450 4.350 0.001 0.000 0.263 59 T C 1.691 176.356 174.700 -0.059 0.000 1.050 59 T CA 0.730 62.794 62.100 -0.060 0.000 1.140 59 T CB -0.698 68.151 68.868 -0.032 0.000 0.877 59 T HN 0.245 nan 8.240 nan 0.000 0.457 60 L N 1.966 123.144 121.223 -0.074 0.000 1.990 60 L HA -0.048 4.292 4.340 0.001 0.000 0.213 60 L C 2.591 179.423 176.870 -0.063 0.000 1.072 60 L CA 1.587 56.388 54.840 -0.064 0.000 0.755 60 L CB -1.182 40.829 42.059 -0.079 0.000 0.889 60 L HN 0.208 nan 8.230 nan 0.000 0.432 61 V N 0.033 119.900 119.914 -0.078 0.000 2.255 61 V HA -0.342 3.779 4.120 0.001 0.000 0.247 61 V C 2.632 178.692 176.094 -0.057 0.000 1.051 61 V CA 2.105 64.364 62.300 -0.068 0.000 1.018 61 V CB -0.774 31.000 31.823 -0.082 0.000 0.641 61 V HN 0.662 nan 8.190 nan 0.000 0.445 62 E N 0.385 120.551 120.200 -0.056 0.000 2.049 62 E HA -0.243 4.108 4.350 0.001 0.000 0.198 62 E C 2.125 178.699 176.600 -0.043 0.000 1.007 62 E CA 2.510 58.883 56.400 -0.045 0.000 0.809 62 E CB -0.115 29.561 29.700 -0.039 0.000 0.749 62 E HN 0.554 nan 8.360 nan 0.000 0.450 63 V N 0.176 120.063 119.914 -0.045 0.000 2.469 63 V HA -0.247 3.873 4.120 0.001 0.000 0.251 63 V C 2.480 178.535 176.094 -0.065 0.000 1.064 63 V CA 1.500 63.770 62.300 -0.051 0.000 1.066 63 V CB -0.841 30.951 31.823 -0.052 0.000 0.667 63 V HN 0.228 nan 8.190 nan 0.000 0.461 64 L N -0.148 121.038 121.223 -0.062 0.000 2.007 64 L HA -0.090 4.251 4.340 0.001 0.000 0.205 64 L C 2.869 179.708 176.870 -0.053 0.000 1.073 64 L CA 2.080 56.881 54.840 -0.066 0.000 0.744 64 L CB -1.199 40.830 42.059 -0.049 0.000 0.898 64 L HN 0.267 nan 8.230 nan 0.000 0.435 65 T N 0.559 115.087 114.554 -0.042 0.000 2.635 65 T HA -0.252 4.099 4.350 0.001 0.000 0.267 65 T C 1.771 176.452 174.700 -0.031 0.000 1.040 65 T CA 2.236 64.316 62.100 -0.033 0.000 1.156 65 T CB -0.159 68.689 68.868 -0.034 0.000 0.863 65 T HN 0.400 nan 8.240 nan 0.000 0.430 66 K N 0.790 121.169 120.400 -0.035 0.000 2.280 66 K HA 0.142 4.463 4.320 0.001 0.000 0.202 66 K C 2.092 178.672 176.600 -0.033 0.000 1.047 66 K CA 1.318 57.588 56.287 -0.030 0.000 0.942 66 K CB -0.131 32.352 32.500 -0.028 0.000 0.739 66 K HN 0.293 nan 8.250 nan 0.000 0.457 67 A N 1.250 124.042 122.820 -0.048 0.000 2.147 67 A HA 0.017 4.338 4.320 0.001 0.000 0.211 67 A C 0.321 177.881 177.584 -0.040 0.000 1.160 67 A CA 0.649 52.651 52.037 -0.059 0.000 0.781 67 A CB -0.132 18.799 19.000 -0.115 0.000 0.842 67 A HN 0.527 nan 8.150 nan 0.000 0.475 68 D N -1.961 118.422 120.400 -0.028 0.000 2.914 68 D HA -0.113 4.528 4.640 0.001 0.000 0.226 68 D C -0.997 175.307 176.300 0.007 0.000 1.112 68 D CA 0.335 54.331 54.000 -0.006 0.000 0.778 68 D CB -1.438 39.364 40.800 0.004 0.000 1.095 68 D HN 0.143 nan 8.370 nan 0.000 0.436 69 I N 1.218 121.778 120.570 -0.015 0.000 2.378 69 I HA 0.358 4.529 4.170 0.001 0.000 0.291 69 I C 0.789 176.919 176.117 0.022 0.000 0.992 69 I CA -1.262 60.041 61.300 0.006 0.000 1.154 69 I CB 1.319 39.262 38.000 -0.095 0.000 1.315 69 I HN 0.205 nan 8.210 nan 0.000 0.448 70 S N 3.280 119.016 115.700 0.060 0.000 2.578 70 S HA 0.304 4.775 4.470 0.001 0.000 0.283 70 S C 1.235 175.865 174.600 0.050 0.000 1.195 70 S CA -0.067 58.160 58.200 0.044 0.000 1.050 70 S CB 1.185 64.411 63.200 0.043 0.000 1.012 70 S HN 0.643 nan 8.310 nan 0.000 0.511 71 S N 1.465 117.181 115.700 0.026 0.000 2.409 71 S HA -0.296 4.174 4.470 0.001 0.000 0.237 71 S C 1.368 175.986 174.600 0.029 0.000 1.060 71 S CA 1.781 59.994 58.200 0.021 0.000 1.052 71 S CB -1.050 62.155 63.200 0.008 0.000 0.871 71 S HN 0.945 nan 8.310 nan 0.000 0.465 72 D N 1.419 121.838 120.400 0.033 0.000 2.312 72 D HA -0.151 4.490 4.640 0.001 0.000 0.211 72 D C 1.533 177.855 176.300 0.037 0.000 0.964 72 D CA 0.725 54.741 54.000 0.028 0.000 0.877 72 D CB -0.404 40.407 40.800 0.018 0.000 0.924 72 D HN 0.650 nan 8.370 nan 0.000 0.515 73 Q N 0.375 120.220 119.800 0.075 0.000 2.360 73 Q HA 0.225 4.566 4.340 0.001 0.000 0.202 73 Q C 0.410 176.468 176.000 0.097 0.000 0.915 73 Q CA 0.003 55.853 55.803 0.080 0.000 0.943 73 Q CB 0.563 29.400 28.738 0.166 0.000 1.064 73 Q HN 0.331 nan 8.270 nan 0.000 0.511 74 I N 1.416 122.034 120.570 0.081 0.000 2.281 74 I HA 0.125 4.296 4.170 0.001 0.000 0.293 74 I C 1.130 177.235 176.117 -0.020 0.000 1.085 74 I CA -0.337 60.987 61.300 0.041 0.000 1.257 74 I CB 1.224 39.245 38.000 0.036 0.000 1.430 74 I HN 0.048 nan 8.210 nan 0.000 0.489 75 A N 5.294 128.064 122.820 -0.083 0.000 1.908 75 A HA 0.234 4.555 4.320 0.001 0.000 0.218 75 A C 1.170 178.707 177.584 -0.078 0.000 1.181 75 A CA 1.805 53.794 52.037 -0.081 0.000 0.627 75 A CB -0.110 18.798 19.000 -0.154 0.000 0.818 75 A HN 0.814 nan 8.150 nan 0.000 0.445 76 A N -2.376 120.376 122.820 -0.114 0.000 2.544 76 A HA 0.565 4.885 4.320 0.001 0.000 0.291 76 A C -1.195 176.367 177.584 -0.036 0.000 1.055 76 A CA -0.595 51.410 52.037 -0.053 0.000 0.651 76 A CB 0.317 19.291 19.000 -0.044 0.000 1.296 76 A HN 0.274 nan 8.150 nan 0.000 0.431 77 I N 0.908 121.482 120.570 0.006 0.000 2.441 77 I HA 0.583 4.754 4.170 0.001 0.000 0.295 77 I C 0.652 176.799 176.117 0.050 0.000 0.994 77 I CA -0.232 61.082 61.300 0.023 0.000 1.144 77 I CB 1.183 39.204 38.000 0.035 0.000 1.314 77 I HN 0.849 nan 8.210 nan 0.000 0.445 78 G N 6.308 115.136 108.800 0.047 0.000 2.416 78 G HA2 0.647 4.608 3.960 0.001 0.000 0.324 78 G HA3 0.647 4.608 3.960 0.001 0.000 0.324 78 G C -0.940 173.985 174.900 0.041 0.000 1.194 78 G CA -0.245 44.891 45.100 0.059 0.000 0.922 78 G HN 0.292 nan 8.290 nan 0.000 0.467 79 I N 2.146 122.738 120.570 0.037 0.000 2.382 79 I HA 0.370 4.541 4.170 0.001 0.000 0.285 79 I C 0.343 176.456 176.117 -0.008 0.000 1.007 79 I CA -1.199 60.110 61.300 0.015 0.000 1.142 79 I CB 1.040 39.043 38.000 0.006 0.000 1.289 79 I HN 0.384 nan 8.210 nan 0.000 0.453 80 T N 5.234 119.786 114.554 -0.004 0.000 2.888 80 T HA 0.777 5.127 4.350 0.001 0.000 0.284 80 T C -0.212 174.486 174.700 -0.003 0.000 1.017 80 T CA -0.933 61.157 62.100 -0.016 0.000 1.022 80 T CB 2.055 70.913 68.868 -0.017 0.000 1.013 80 T HN 0.685 nan 8.240 nan 0.000 0.465 81 N N -0.080 118.610 118.700 -0.018 0.000 2.610 81 N HA 0.358 5.099 4.740 0.001 0.000 0.264 81 N C -1.283 174.218 175.510 -0.014 0.000 1.348 81 N CA -1.347 51.709 53.050 0.008 0.000 0.819 81 N CB 1.111 39.606 38.487 0.015 0.000 1.521 81 N HN 0.700 nan 8.380 nan 0.000 0.497 82 Q N 0.100 119.928 119.800 0.048 0.000 2.271 82 Q HA 0.229 4.570 4.340 0.001 0.000 0.273 82 Q C 0.134 176.116 176.000 -0.031 0.000 1.051 82 Q CA -0.318 55.505 55.803 0.032 0.000 0.901 82 Q CB 1.113 30.033 28.738 0.304 0.000 1.174 82 Q HN 0.548 nan 8.270 nan 0.000 0.385 83 R N 2.021 122.385 120.500 -0.227 0.000 2.200 83 R HA -0.178 4.163 4.340 0.001 0.000 0.234 83 R C 0.528 176.788 176.300 -0.066 0.000 1.127 83 R CA 1.626 57.617 56.100 -0.181 0.000 0.989 83 R CB 0.207 30.362 30.300 -0.243 0.000 0.869 83 R HN 0.717 nan 8.270 nan 0.000 0.459 84 E N -1.959 118.272 120.200 0.051 0.000 2.665 84 E HA 0.103 4.454 4.350 0.001 0.000 0.225 84 E C -0.678 176.015 176.600 0.156 0.000 0.922 84 E CA 0.000 56.457 56.400 0.094 0.000 1.242 84 E CB 1.082 30.821 29.700 0.065 0.000 1.197 84 E HN 0.005 nan 8.360 nan 0.000 0.581 85 T N 1.325 116.002 114.554 0.205 0.000 2.933 85 T HA 0.098 4.449 4.350 0.001 0.000 0.306 85 T C 0.116 174.854 174.700 0.063 0.000 1.045 85 T CA 0.598 62.773 62.100 0.126 0.000 1.143 85 T CB 0.645 69.603 68.868 0.151 0.000 1.003 85 T HN -0.088 nan 8.240 nan 0.000 0.540 86 T N 4.415 118.992 114.554 0.039 0.000 2.786 86 T HA 0.592 4.943 4.350 0.001 0.000 0.283 86 T C 0.094 174.795 174.700 0.002 0.000 0.992 86 T CA -0.575 61.563 62.100 0.062 0.000 0.954 86 T CB 0.310 69.289 68.868 0.185 0.000 0.934 86 T HN 0.429 nan 8.240 nan 0.000 0.440 87 I N 1.804 122.330 120.570 -0.073 0.000 2.740 87 I HA 0.800 4.970 4.170 0.001 0.000 0.303 87 I C -0.809 175.384 176.117 0.127 0.000 1.044 87 I CA -1.442 59.816 61.300 -0.069 0.000 1.064 87 I CB 2.264 40.029 38.000 -0.392 0.000 1.249 87 I HN 0.213 nan 8.210 nan 0.000 0.433 88 V N 3.471 123.507 119.914 0.202 0.000 2.655 88 V HA 0.418 4.538 4.120 0.001 0.000 0.301 88 V C -1.394 174.839 176.094 0.232 0.000 1.082 88 V CA -0.367 62.019 62.300 0.143 0.000 0.899 88 V CB 1.688 33.568 31.823 0.096 0.000 1.014 88 V HN 0.918 nan 8.190 nan 0.000 0.429 89 W N 2.273 123.500 121.300 -0.122 0.000 2.992 89 W HA 0.765 5.425 4.660 -0.000 0.000 0.342 89 W C -0.420 176.057 176.519 -0.070 0.000 1.176 89 W CA -1.010 56.283 57.345 -0.087 0.000 1.118 89 W CB 0.753 30.166 29.460 -0.078 0.000 1.457 89 W HN 0.449 nan 8.180 nan 0.000 0.573 90 E N 2.031 122.369 120.200 0.230 0.000 2.351 90 E HA -0.057 4.294 4.350 0.001 0.000 0.266 90 E C 0.944 177.672 176.600 0.214 0.000 1.031 90 E CA -0.128 56.352 56.400 0.133 0.000 0.911 90 E CB 1.434 31.230 29.700 0.160 0.000 0.986 90 E HN 0.470 nan 8.360 nan 0.000 0.446 91 K N 3.338 123.772 120.400 0.057 0.000 2.097 91 K HA -0.177 4.144 4.320 0.001 0.000 0.206 91 K C 1.256 178.019 176.600 0.271 0.000 1.049 91 K CA 1.137 57.518 56.287 0.157 0.000 0.933 91 K CB 0.284 32.798 32.500 0.025 0.000 0.717 91 K HN 0.453 nan 8.250 nan 0.000 0.442 92 E N -0.036 120.267 120.200 0.172 0.000 1.997 92 E HA -0.161 4.190 4.350 0.001 0.000 0.196 92 E C 2.087 178.804 176.600 0.195 0.000 0.990 92 E CA 1.929 58.420 56.400 0.153 0.000 0.845 92 E CB -0.899 28.858 29.700 0.095 0.000 0.795 92 E HN 0.459 nan 8.360 nan 0.000 0.479 93 T N -1.338 113.322 114.554 0.178 0.000 2.760 93 T HA -0.180 4.171 4.350 0.001 0.000 0.269 93 T C 1.604 176.455 174.700 0.252 0.000 1.047 93 T CA 2.277 64.486 62.100 0.180 0.000 1.139 93 T CB -0.634 68.330 68.868 0.161 0.000 0.855 93 T HN 0.519 nan 8.240 nan 0.000 0.471 94 G N 1.537 110.575 108.800 0.397 0.000 2.148 94 G HA2 -0.310 3.651 3.960 0.001 0.000 0.254 94 G HA3 -0.310 3.651 3.960 0.001 0.000 0.254 94 G C -0.073 175.014 174.900 0.312 0.000 0.981 94 G CA 0.501 45.919 45.100 0.530 0.000 0.670 94 G HN 1.032 nan 8.290 nan 0.000 0.528 95 K N 0.875 121.456 120.400 0.303 0.000 2.211 95 K HA 0.574 4.894 4.320 0.001 0.000 0.275 95 K C -2.593 174.167 176.600 0.267 0.000 1.024 95 K CA -2.224 54.208 56.287 0.242 0.000 0.887 95 K CB 2.043 34.646 32.500 0.171 0.000 1.084 95 K HN 0.021 nan 8.250 nan 0.000 0.463 96 P HA 0.022 nan 4.420 nan 0.000 0.271 96 P C 0.258 177.637 177.300 0.132 0.000 1.216 96 P CA -0.159 63.025 63.100 0.139 0.000 0.776 96 P CB 0.338 31.986 31.700 -0.087 0.000 0.881 97 I N -0.883 119.783 120.570 0.160 0.000 3.875 97 I HA 0.434 4.605 4.170 0.001 0.000 0.329 97 I C -0.250 176.024 176.117 0.262 0.000 1.295 97 I CA 0.026 61.426 61.300 0.167 0.000 1.129 97 I CB -0.301 37.782 38.000 0.138 0.000 1.008 97 I HN 0.125 nan 8.210 nan 0.000 0.413 98 Y N -0.065 120.268 120.300 0.053 0.000 2.765 98 Y HA 0.343 4.893 4.550 0.001 0.000 0.350 98 Y C -0.855 175.046 175.900 0.002 0.000 1.196 98 Y CA -1.191 56.946 58.100 0.062 0.000 1.119 98 Y CB 0.792 39.318 38.460 0.110 0.000 1.368 98 Y HN -0.065 nan 8.280 nan 0.000 0.463 99 N N 1.442 119.672 118.700 -0.783 0.000 2.371 99 N HA 0.475 5.216 4.740 0.001 0.000 0.243 99 N C -0.593 174.896 175.510 -0.035 0.000 1.287 99 N CA 0.676 53.513 53.050 -0.355 0.000 0.911 99 N CB 0.991 39.230 38.487 -0.414 0.000 1.142 99 N HN 0.759 nan 8.380 nan 0.000 0.451 100 A N 1.478 124.233 122.820 -0.109 0.000 2.477 100 A HA 0.284 4.604 4.320 0.001 0.000 0.246 100 A C 0.403 177.935 177.584 -0.087 0.000 1.078 100 A CA -0.085 51.896 52.037 -0.093 0.000 0.770 100 A CB -0.144 18.775 19.000 -0.134 0.000 1.011 100 A HN 0.599 nan 8.150 nan 0.000 0.494 101 I N 3.608 124.132 120.570 -0.077 0.000 2.312 101 I HA 0.173 4.344 4.170 0.001 0.000 0.290 101 I C -0.073 175.929 176.117 -0.191 0.000 1.008 101 I CA -0.548 60.651 61.300 -0.169 0.000 1.226 101 I CB 1.301 39.179 38.000 -0.203 0.000 1.371 101 I HN 0.344 nan 8.210 nan 0.000 0.468 102 V N 6.400 126.123 119.914 -0.318 0.000 3.051 102 V HA -0.057 4.064 4.120 0.001 0.000 0.306 102 V C 1.309 177.307 176.094 -0.160 0.000 1.083 102 V CA -0.284 61.807 62.300 -0.348 0.000 1.104 102 V CB 0.787 32.211 31.823 -0.666 0.000 1.027 102 V HN 0.936 nan 8.190 nan 0.000 0.483 103 W N 1.432 122.683 121.300 -0.082 0.000 2.389 103 W HA -0.180 4.480 4.660 0.001 0.000 0.267 103 W C 1.104 177.556 176.519 -0.111 0.000 1.219 103 W CA 0.946 58.289 57.345 -0.003 0.000 1.189 103 W CB -0.567 28.972 29.460 0.131 0.000 1.129 103 W HN 0.668 nan 8.180 nan 0.000 0.581 104 Q N 0.450 119.988 119.800 -0.437 0.000 2.402 104 Q HA 0.048 4.388 4.340 0.001 0.000 0.206 104 Q C 1.369 177.123 176.000 -0.411 0.000 0.919 104 Q CA 0.159 55.602 55.803 -0.601 0.000 0.923 104 Q CB 0.138 28.377 28.738 -0.831 0.000 1.048 104 Q HN 0.132 nan 8.270 nan 0.000 0.515 105 C N 1.899 121.006 119.300 -0.322 0.000 2.550 105 C HA -0.031 4.430 4.460 0.001 0.000 0.406 105 C C 1.238 176.066 174.990 -0.270 0.000 1.366 105 C CA 0.161 59.005 59.018 -0.290 0.000 1.712 105 C CB 0.014 27.522 27.740 -0.386 0.000 2.613 105 C HN 0.418 nan 8.230 nan 0.000 0.608 106 R N 3.995 124.370 120.500 -0.209 0.000 2.509 106 R HA 0.062 4.403 4.340 0.001 0.000 0.300 106 R C 2.120 178.308 176.300 -0.186 0.000 0.985 106 R CA -0.176 55.832 56.100 -0.153 0.000 1.092 106 R CB -0.374 29.901 30.300 -0.042 0.000 1.237 106 R HN 0.840 nan 8.270 nan 0.000 0.546 107 R N 1.140 121.375 120.500 -0.443 0.000 2.127 107 R HA -0.077 4.264 4.340 0.001 0.000 0.238 107 R C 0.616 176.720 176.300 -0.327 0.000 1.134 107 R CA 1.959 57.717 56.100 -0.570 0.000 0.975 107 R CB -0.537 28.852 30.300 -1.518 0.000 0.865 107 R HN -0.019 nan 8.270 nan 0.000 0.447 108 T N -2.254 112.134 114.554 -0.276 0.000 3.324 108 T HA 0.442 4.793 4.350 0.001 0.000 0.250 108 T C 1.614 176.287 174.700 -0.045 0.000 1.059 108 T CA 0.229 62.265 62.100 -0.106 0.000 0.951 108 T CB 0.653 69.475 68.868 -0.077 0.000 1.030 108 T HN 0.315 nan 8.240 nan 0.000 0.576 109 A N 2.153 124.942 122.820 -0.051 0.000 1.883 109 A HA -0.157 4.164 4.320 0.001 0.000 0.217 109 A C 2.315 179.908 177.584 0.016 0.000 1.186 109 A CA 1.802 53.807 52.037 -0.054 0.000 0.624 109 A CB -0.728 18.177 19.000 -0.158 0.000 0.822 109 A HN 0.682 nan 8.150 nan 0.000 0.444 110 E N -0.018 120.207 120.200 0.043 0.000 2.058 110 E HA -0.195 4.155 4.350 0.001 0.000 0.194 110 E C 1.868 178.334 176.600 -0.223 0.000 0.997 110 E CA 1.519 57.907 56.400 -0.019 0.000 0.801 110 E CB -0.312 29.397 29.700 0.014 0.000 0.746 110 E HN 0.667 nan 8.360 nan 0.000 0.450 111 I N 0.862 121.350 120.570 -0.137 0.000 2.127 111 I HA -0.372 3.799 4.170 0.001 0.000 0.241 111 I C 2.621 178.701 176.117 -0.061 0.000 1.075 111 I CA 1.106 62.324 61.300 -0.136 0.000 1.334 111 I CB -0.578 37.421 38.000 -0.002 0.000 1.040 111 I HN 0.363 nan 8.210 nan 0.000 0.405 112 C N 0.726 120.026 119.300 0.001 0.000 2.403 112 C HA -0.144 4.317 4.460 0.001 0.000 0.282 112 C C 2.658 177.695 174.990 0.078 0.000 1.297 112 C CA 0.573 59.622 59.018 0.051 0.000 1.785 112 C CB -1.186 26.594 27.740 0.068 0.000 1.963 112 C HN 0.504 nan 8.230 nan 0.000 0.507 113 E N 0.383 120.624 120.200 0.068 0.000 2.072 113 E HA -0.147 4.204 4.350 0.001 0.000 0.191 113 E C 1.718 178.484 176.600 0.276 0.000 0.985 113 E CA 1.270 57.767 56.400 0.162 0.000 0.801 113 E CB -0.562 29.258 29.700 0.200 0.000 0.750 113 E HN 0.798 nan 8.360 nan 0.000 0.452 114 H N 0.052 119.178 119.070 0.093 0.000 2.423 114 H HA -0.051 4.506 4.556 0.001 0.000 0.297 114 H C 2.046 177.408 175.328 0.058 0.000 1.075 114 H CA 0.043 56.133 56.048 0.070 0.000 1.342 114 H CB 0.277 30.075 29.762 0.061 0.000 1.395 114 H HN 0.020 nan 8.280 nan 0.000 0.530 115 L N 1.467 122.796 121.223 0.176 0.000 1.989 115 L HA -0.184 4.157 4.340 0.001 0.000 0.211 115 L C 2.275 179.207 176.870 0.104 0.000 1.071 115 L CA 1.622 56.530 54.840 0.115 0.000 0.749 115 L CB -1.008 41.106 42.059 0.092 0.000 0.890 115 L HN 0.235 nan 8.230 nan 0.000 0.431 116 K N -0.480 119.989 120.400 0.116 0.000 1.988 116 K HA -0.282 4.039 4.320 0.001 0.000 0.221 116 K C 2.163 178.819 176.600 0.094 0.000 1.053 116 K CA 2.004 58.354 56.287 0.106 0.000 0.959 116 K CB -0.211 32.364 32.500 0.126 0.000 0.728 116 K HN -0.012 nan 8.250 nan 0.000 0.447 117 R N 1.333 121.899 120.500 0.111 0.000 2.162 117 R HA -0.199 4.141 4.340 0.001 0.000 0.245 117 R C 1.539 177.868 176.300 0.049 0.000 1.129 117 R CA 2.343 58.492 56.100 0.081 0.000 0.940 117 R CB -0.565 29.787 30.300 0.086 0.000 0.875 117 R HN 0.239 nan 8.270 nan 0.000 0.437 118 D N -1.120 119.310 120.400 0.049 0.000 2.378 118 D HA 0.052 4.693 4.640 0.001 0.000 0.222 118 D C 0.610 176.920 176.300 0.016 0.000 0.980 118 D CA 1.357 55.371 54.000 0.023 0.000 0.907 118 D CB -0.118 40.696 40.800 0.022 0.000 0.899 118 D HN 0.564 nan 8.370 nan 0.000 0.527 119 G N 0.425 109.244 108.800 0.031 0.000 2.212 119 G HA2 -0.281 3.680 3.960 0.001 0.000 0.255 119 G HA3 -0.281 3.680 3.960 0.001 0.000 0.255 119 G C 0.671 175.589 174.900 0.031 0.000 1.062 119 G CA 0.217 45.334 45.100 0.029 0.000 0.815 119 G HN 0.406 nan 8.290 nan 0.000 0.497 120 L N -0.338 120.911 121.223 0.042 0.000 2.628 120 L HA 0.302 4.642 4.340 0.001 0.000 0.229 120 L C 2.186 179.119 176.870 0.105 0.000 1.137 120 L CA 0.545 55.423 54.840 0.062 0.000 0.909 120 L CB 0.136 42.217 42.059 0.038 0.000 1.137 120 L HN 0.402 nan 8.230 nan 0.000 0.470 121 E N 1.034 121.278 120.200 0.072 0.000 2.058 121 E HA -0.251 4.099 4.350 0.001 0.000 0.194 121 E C 1.081 177.711 176.600 0.049 0.000 0.997 121 E CA 1.676 58.108 56.400 0.053 0.000 0.801 121 E CB 0.248 29.975 29.700 0.045 0.000 0.746 121 E HN 0.484 nan 8.360 nan 0.000 0.450 122 D N -0.624 119.814 120.400 0.064 0.000 2.123 122 D HA -0.134 4.506 4.640 0.001 0.000 0.200 122 D C 1.722 178.063 176.300 0.068 0.000 0.976 122 D CA 0.738 54.768 54.000 0.050 0.000 0.831 122 D CB -0.473 40.353 40.800 0.043 0.000 0.974 122 D HN 0.252 nan 8.370 nan 0.000 0.469 123 Y N 1.834 122.120 120.300 -0.023 0.000 2.049 123 Y HA -0.219 4.331 4.550 0.001 0.000 0.277 123 Y C 2.331 178.214 175.900 -0.029 0.000 1.143 123 Y CA 1.504 59.589 58.100 -0.026 0.000 1.115 123 Y CB -0.577 37.872 38.460 -0.018 0.000 0.975 123 Y HN -0.127 nan 8.280 nan 0.000 0.487 124 I N 0.035 120.691 120.570 0.144 0.000 2.145 124 I HA -0.427 3.743 4.170 0.001 0.000 0.244 124 I C 2.670 178.721 176.117 -0.111 0.000 1.075 124 I CA 2.014 63.319 61.300 0.007 0.000 1.332 124 I CB -0.495 37.542 38.000 0.062 0.000 1.033 124 I HN 0.262 nan 8.210 nan 0.000 0.410 125 R N 0.264 120.720 120.500 -0.073 0.000 2.073 125 R HA -0.129 4.212 4.340 0.001 0.000 0.234 125 R C 2.519 178.764 176.300 -0.092 0.000 1.134 125 R CA 1.915 57.963 56.100 -0.086 0.000 0.952 125 R CB -0.100 30.169 30.300 -0.052 0.000 0.850 125 R HN 0.222 nan 8.270 nan 0.000 0.433 126 S N -0.057 115.577 115.700 -0.109 0.000 2.377 126 S HA -0.021 4.450 4.470 0.001 0.000 0.223 126 S C 1.407 175.933 174.600 -0.124 0.000 1.030 126 S CA 1.317 59.445 58.200 -0.121 0.000 0.970 126 S CB -0.164 62.953 63.200 -0.138 0.000 0.830 126 S HN 0.416 nan 8.310 nan 0.000 0.473 127 N N 0.514 119.043 118.700 -0.286 0.000 2.300 127 N HA -0.045 4.695 4.740 0.001 0.000 0.179 127 N C 1.796 177.217 175.510 -0.150 0.000 1.016 127 N CA 1.527 54.402 53.050 -0.292 0.000 0.876 127 N CB 0.018 38.017 38.487 -0.813 0.000 0.979 127 N HN 0.527 nan 8.380 nan 0.000 0.432 128 T N -4.462 109.995 114.554 -0.162 0.000 2.990 128 T HA 0.327 4.678 4.350 0.001 0.000 0.250 128 T C 1.566 176.192 174.700 -0.123 0.000 1.041 128 T CA 0.556 62.575 62.100 -0.135 0.000 1.010 128 T CB 0.474 69.245 68.868 -0.161 0.000 1.003 128 T HN 0.205 nan 8.240 nan 0.000 0.499 129 G N 1.412 110.149 108.800 -0.106 0.000 2.205 129 G HA2 -0.200 3.760 3.960 0.001 0.000 0.261 129 G HA3 -0.200 3.760 3.960 0.001 0.000 0.261 129 G C 0.017 174.837 174.900 -0.132 0.000 0.980 129 G CA 0.456 45.508 45.100 -0.080 0.000 0.632 129 G HN 0.632 nan 8.290 nan 0.000 0.533 130 L N -0.158 120.916 121.223 -0.247 0.000 2.431 130 L HA 0.771 5.112 4.340 0.001 0.000 0.260 130 L C 0.689 177.362 176.870 -0.329 0.000 1.098 130 L CA -1.052 53.528 54.840 -0.433 0.000 0.800 130 L CB 1.465 43.036 42.059 -0.814 0.000 1.210 130 L HN -0.029 nan 8.230 nan 0.000 0.465 131 V N 1.051 120.736 119.914 -0.382 0.000 2.864 131 V HA 0.379 4.500 4.120 0.001 0.000 0.314 131 V C 0.041 176.066 176.094 -0.114 0.000 1.073 131 V CA -0.703 61.421 62.300 -0.292 0.000 0.956 131 V CB 2.495 33.939 31.823 -0.631 0.000 1.023 131 V HN 0.414 nan 8.190 nan 0.000 0.435 132 I N 3.590 124.139 120.570 -0.034 0.000 2.347 132 I HA 0.385 4.555 4.170 0.001 0.000 0.294 132 I C -0.237 175.975 176.117 0.160 0.000 1.090 132 I CA 0.482 61.835 61.300 0.088 0.000 1.314 132 I CB 0.083 38.126 38.000 0.071 0.000 1.423 132 I HN 0.655 nan 8.210 nan 0.000 0.503 133 D N 8.350 128.932 120.400 0.302 0.000 2.583 133 D HA 0.315 4.955 4.640 0.001 0.000 0.248 133 D C -2.531 173.916 176.300 0.246 0.000 1.209 133 D CA -1.573 52.603 54.000 0.293 0.000 0.848 133 D CB 3.374 44.445 40.800 0.452 0.000 1.431 133 D HN 0.042 nan 8.370 nan 0.000 0.436 134 P HA -0.007 nan 4.420 nan 0.000 0.242 134 P C 1.013 178.346 177.300 0.055 0.000 1.197 134 P CA 0.233 63.366 63.100 0.056 0.000 0.765 134 P CB -0.186 31.484 31.700 -0.050 0.000 0.936 135 Y N 0.747 120.951 120.300 -0.159 0.000 2.298 135 Y HA -0.128 4.423 4.550 0.001 0.000 0.287 135 Y C 0.452 176.069 175.900 -0.471 0.000 1.164 135 Y CA 0.142 58.004 58.100 -0.397 0.000 1.229 135 Y CB -1.127 36.968 38.460 -0.609 0.000 0.977 135 Y HN -0.168 nan 8.280 nan 0.000 0.538 136 F N -1.035 119.006 119.950 0.151 0.000 2.377 136 F HA 0.297 4.825 4.527 0.001 0.000 0.328 136 F C 1.771 177.596 175.800 0.042 0.000 1.094 136 F CA -0.243 57.769 58.000 0.021 0.000 1.093 136 F CB 0.488 39.468 39.000 -0.033 0.000 1.214 136 F HN -0.365 nan 8.300 nan 0.000 0.518 137 S N 1.341 117.202 115.700 0.269 0.000 2.359 137 S HA -0.169 4.302 4.470 0.001 0.000 0.224 137 S C 2.331 177.003 174.600 0.120 0.000 1.035 137 S CA 1.279 59.605 58.200 0.210 0.000 1.018 137 S CB -1.023 62.366 63.200 0.315 0.000 0.876 137 S HN 0.989 nan 8.310 nan 0.000 0.448 138 G N 2.498 111.358 108.800 0.099 0.000 2.839 138 G HA2 -0.418 3.542 3.960 0.001 0.000 0.221 138 G HA3 -0.418 3.542 3.960 0.001 0.000 0.221 138 G C 1.701 176.617 174.900 0.027 0.000 1.271 138 G CA 2.907 48.024 45.100 0.028 0.000 0.789 138 G HN 0.652 nan 8.290 nan 0.000 0.659 139 T N 0.142 114.737 114.554 0.068 0.000 2.685 139 T HA -0.216 4.135 4.350 0.001 0.000 0.268 139 T C 2.122 176.853 174.700 0.052 0.000 1.034 139 T CA 2.173 64.308 62.100 0.059 0.000 1.149 139 T CB -0.452 68.450 68.868 0.057 0.000 0.860 139 T HN 0.579 nan 8.240 nan 0.000 0.449 140 K N 1.056 121.473 120.400 0.028 0.000 2.026 140 K HA -0.005 4.316 4.320 0.001 0.000 0.208 140 K C 2.452 179.094 176.600 0.070 0.000 1.048 140 K CA 1.383 57.667 56.287 -0.004 0.000 0.929 140 K CB -0.949 31.529 32.500 -0.038 0.000 0.713 140 K HN 0.291 nan 8.250 nan 0.000 0.439 141 V N 2.469 122.414 119.914 0.052 0.000 2.231 141 V HA -0.334 3.787 4.120 0.001 0.000 0.250 141 V C 2.550 178.662 176.094 0.029 0.000 1.058 141 V CA 2.276 64.587 62.300 0.020 0.000 1.022 141 V CB -0.665 31.061 31.823 -0.162 0.000 0.640 141 V HN 0.388 nan 8.190 nan 0.000 0.445 142 K N -1.183 119.225 120.400 0.013 0.000 2.127 142 K HA -0.302 4.019 4.320 0.001 0.000 0.208 142 K C 1.968 178.619 176.600 0.084 0.000 1.047 142 K CA 2.399 58.701 56.287 0.025 0.000 0.927 142 K CB -0.374 32.146 32.500 0.033 0.000 0.716 142 K HN 0.618 nan 8.250 nan 0.000 0.450 143 W N 1.166 122.420 121.300 -0.075 0.000 2.353 143 W HA -0.149 4.511 4.660 0.001 0.000 0.319 143 W C 1.626 178.110 176.519 -0.059 0.000 1.207 143 W CA 1.766 59.052 57.345 -0.098 0.000 1.291 143 W CB -0.220 29.074 29.460 -0.277 0.000 1.159 143 W HN -0.027 nan 8.180 nan 0.000 0.478 144 I N 0.518 121.254 120.570 0.276 0.000 2.315 144 I HA -0.340 3.831 4.170 0.001 0.000 0.251 144 I C 2.209 178.308 176.117 -0.031 0.000 1.125 144 I CA 0.885 62.233 61.300 0.081 0.000 1.392 144 I CB -0.829 37.216 38.000 0.075 0.000 1.065 144 I HN 0.119 nan 8.210 nan 0.000 0.424 145 L N 0.570 121.788 121.223 -0.009 0.000 2.005 145 L HA -0.204 4.137 4.340 0.001 0.000 0.207 145 L C 1.987 178.791 176.870 -0.111 0.000 1.072 145 L CA 1.938 56.746 54.840 -0.053 0.000 0.744 145 L CB -1.118 40.912 42.059 -0.049 0.000 0.895 145 L HN 0.219 nan 8.230 nan 0.000 0.433 146 D N -2.035 118.297 120.400 -0.113 0.000 2.350 146 D HA -0.127 4.514 4.640 0.001 0.000 0.216 146 D C 1.920 177.863 176.300 -0.595 0.000 0.968 146 D CA 0.751 54.595 54.000 -0.260 0.000 0.894 146 D CB 0.068 40.730 40.800 -0.230 0.000 0.909 146 D HN 0.435 nan 8.370 nan 0.000 0.520 147 H N -0.656 118.113 119.070 -0.501 0.000 2.370 147 H HA 0.142 4.699 4.556 0.001 0.000 0.304 147 H C 0.512 175.669 175.328 -0.284 0.000 1.055 147 H CA 0.260 55.971 56.048 -0.561 0.000 1.373 147 H CB 0.118 29.205 29.762 -1.126 0.000 1.423 147 H HN -0.132 nan 8.280 nan 0.000 0.533 148 V N 2.883 122.719 119.914 -0.130 0.000 2.389 148 V HA -0.023 4.098 4.120 0.001 0.000 0.264 148 V C 1.278 177.322 176.094 -0.083 0.000 1.049 148 V CA -0.176 62.088 62.300 -0.059 0.000 0.932 148 V CB 1.271 33.099 31.823 0.007 0.000 1.011 148 V HN 0.415 nan 8.190 nan 0.000 0.475 149 E N 4.665 124.819 120.200 -0.076 0.000 2.170 149 E HA -0.288 4.062 4.350 0.001 0.000 0.229 149 E C 1.926 178.487 176.600 -0.065 0.000 1.074 149 E CA 2.363 58.718 56.400 -0.075 0.000 0.930 149 E CB -0.131 29.538 29.700 -0.051 0.000 0.806 149 E HN 0.901 nan 8.360 nan 0.000 0.478 150 G N -0.253 108.521 108.800 -0.044 0.000 3.159 150 G HA2 -0.010 3.951 3.960 0.001 0.000 0.232 150 G HA3 -0.010 3.951 3.960 0.001 0.000 0.232 150 G C 1.382 176.255 174.900 -0.045 0.000 1.116 150 G CA 0.823 45.898 45.100 -0.042 0.000 0.767 150 G HN 0.322 nan 8.290 nan 0.000 0.547 151 S N 1.291 116.964 115.700 -0.046 0.000 2.408 151 S HA -0.355 4.116 4.470 0.001 0.000 0.241 151 S C 2.163 176.728 174.600 -0.058 0.000 1.080 151 S CA 1.789 59.960 58.200 -0.047 0.000 1.109 151 S CB -0.440 62.733 63.200 -0.045 0.000 0.966 151 S HN 0.404 nan 8.310 nan 0.000 0.449 152 R N 1.297 121.758 120.500 -0.065 0.000 2.081 152 R HA -0.073 4.268 4.340 0.001 0.000 0.235 152 R C 2.668 178.931 176.300 -0.061 0.000 1.131 152 R CA 1.791 57.850 56.100 -0.067 0.000 0.960 152 R CB -0.227 30.032 30.300 -0.068 0.000 0.856 152 R HN 0.677 nan 8.270 nan 0.000 0.436 153 E N 0.318 120.487 120.200 -0.052 0.000 2.012 153 E HA -0.245 4.106 4.350 0.001 0.000 0.197 153 E C 2.043 178.616 176.600 -0.046 0.000 1.007 153 E CA 1.356 57.729 56.400 -0.045 0.000 0.816 153 E CB -0.312 29.366 29.700 -0.037 0.000 0.762 153 E HN 0.404 nan 8.360 nan 0.000 0.451 154 R N 0.843 121.317 120.500 -0.043 0.000 2.139 154 R HA -0.139 4.202 4.340 0.001 0.000 0.243 154 R C 2.403 178.666 176.300 -0.063 0.000 1.145 154 R CA 1.228 57.301 56.100 -0.044 0.000 0.976 154 R CB -0.504 29.774 30.300 -0.037 0.000 0.866 154 R HN 0.165 nan 8.270 nan 0.000 0.449 155 A N 1.234 124.011 122.820 -0.072 0.000 1.898 155 A HA -0.162 4.158 4.320 0.001 0.000 0.216 155 A C 2.161 179.691 177.584 -0.090 0.000 1.181 155 A CA 1.246 53.226 52.037 -0.095 0.000 0.620 155 A CB -0.335 18.603 19.000 -0.104 0.000 0.819 155 A HN 0.176 nan 8.150 nan 0.000 0.442 156 R N -1.014 119.442 120.500 -0.073 0.000 2.081 156 R HA -0.009 4.332 4.340 0.001 0.000 0.235 156 R C 2.280 178.548 176.300 -0.053 0.000 1.131 156 R CA 1.393 57.455 56.100 -0.063 0.000 0.960 156 R CB -0.226 30.043 30.300 -0.052 0.000 0.856 156 R HN 0.445 nan 8.270 nan 0.000 0.436 157 R N -0.277 120.194 120.500 -0.048 0.000 2.357 157 R HA -0.049 4.291 4.340 0.001 0.000 0.202 157 R C 0.445 176.719 176.300 -0.044 0.000 1.047 157 R CA 0.741 56.818 56.100 -0.038 0.000 1.034 157 R CB -0.057 30.224 30.300 -0.031 0.000 0.875 157 R HN 0.473 nan 8.270 nan 0.000 0.473 158 G N 0.613 109.375 108.800 -0.063 0.000 2.179 158 G HA2 -0.307 3.654 3.960 0.001 0.000 0.257 158 G HA3 -0.307 3.654 3.960 0.001 0.000 0.257 158 G C 0.408 175.253 174.900 -0.092 0.000 1.010 158 G CA 0.698 45.749 45.100 -0.081 0.000 0.736 158 G HN 0.539 nan 8.290 nan 0.000 0.513 159 E N -0.936 119.215 120.200 -0.081 0.000 2.285 159 E HA 0.143 4.494 4.350 0.001 0.000 0.194 159 E C 1.206 177.739 176.600 -0.112 0.000 0.997 159 E CA 0.418 56.777 56.400 -0.068 0.000 0.845 159 E CB 0.298 29.974 29.700 -0.041 0.000 0.782 159 E HN 0.565 nan 8.360 nan 0.000 0.491 160 L N 1.409 122.532 121.223 -0.167 0.000 2.334 160 L HA 0.480 4.821 4.340 0.001 0.000 0.273 160 L C -0.306 176.316 176.870 -0.414 0.000 1.013 160 L CA -0.654 54.033 54.840 -0.256 0.000 0.816 160 L CB 1.703 43.657 42.059 -0.176 0.000 1.278 160 L HN -0.029 nan 8.230 nan 0.000 0.431 161 L N 1.856 122.632 121.223 -0.746 0.000 2.354 161 L HA 0.526 4.867 4.340 0.001 0.000 0.269 161 L C -1.208 175.035 176.870 -1.044 0.000 1.005 161 L CA -0.630 53.563 54.840 -1.078 0.000 0.819 161 L CB 2.747 43.753 42.059 -1.754 0.000 1.311 161 L HN 0.405 nan 8.230 nan 0.000 0.423 162 F N 1.454 120.969 119.950 -0.726 0.000 2.495 162 F HA 0.821 5.348 4.527 0.001 0.000 0.327 162 F C -0.121 175.582 175.800 -0.162 0.000 1.103 162 F CA -0.450 57.302 58.000 -0.413 0.000 0.949 162 F CB 1.909 40.765 39.000 -0.240 0.000 1.142 162 F HN 0.314 nan 8.300 nan 0.000 0.457 163 G N 2.903 110.990 108.800 -1.189 0.000 2.742 163 G HA2 0.481 4.442 3.960 0.001 0.000 0.296 163 G HA3 0.481 4.442 3.960 0.001 0.000 0.296 163 G C -1.232 173.240 174.900 -0.715 0.000 1.436 163 G CA -0.661 43.975 45.100 -0.774 0.000 0.928 163 G HN 0.801 nan 8.290 nan 0.000 0.520 164 T N -0.341 113.934 114.554 -0.466 0.000 2.732 164 T HA 0.297 4.648 4.350 0.001 0.000 0.287 164 T C 1.644 176.314 174.700 -0.050 0.000 0.993 164 T CA -0.312 61.690 62.100 -0.163 0.000 0.966 164 T CB 1.403 70.242 68.868 -0.050 0.000 1.047 164 T HN 0.294 nan 8.240 nan 0.000 0.527 165 V N 1.783 121.702 119.914 0.008 0.000 2.515 165 V HA -0.159 3.962 4.120 0.001 0.000 0.250 165 V C 2.684 178.830 176.094 0.087 0.000 1.058 165 V CA 2.051 64.397 62.300 0.078 0.000 1.064 165 V CB -1.028 30.853 31.823 0.097 0.000 0.675 165 V HN 1.028 nan 8.190 nan 0.000 0.461 166 D N 0.239 120.647 120.400 0.013 0.000 2.108 166 D HA -0.250 4.390 4.640 0.001 0.000 0.190 166 D C 1.905 178.185 176.300 -0.035 0.000 0.995 166 D CA 2.348 56.329 54.000 -0.033 0.000 0.834 166 D CB -1.058 39.688 40.800 -0.090 0.000 0.967 166 D HN 0.389 nan 8.370 nan 0.000 0.446 167 T N -0.251 114.281 114.554 -0.036 0.000 2.737 167 T HA -0.183 4.168 4.350 0.001 0.000 0.269 167 T C 1.446 176.209 174.700 0.106 0.000 1.040 167 T CA 1.467 63.567 62.100 0.000 0.000 1.142 167 T CB -0.523 68.304 68.868 -0.068 0.000 0.861 167 T HN 0.436 nan 8.240 nan 0.000 0.456 168 W N 1.425 122.626 121.300 -0.166 0.000 2.481 168 W HA 0.059 4.720 4.660 0.002 0.000 0.293 168 W C 1.509 177.853 176.519 -0.291 0.000 1.201 168 W CA 0.350 57.457 57.345 -0.397 0.000 1.328 168 W CB -0.429 28.742 29.460 -0.481 0.000 1.112 168 W HN 0.228 nan 8.180 nan 0.000 0.546 169 L N 0.620 121.729 121.223 -0.189 0.000 2.056 169 L HA -0.235 4.106 4.340 0.001 0.000 0.207 169 L C 2.565 179.301 176.870 -0.223 0.000 1.078 169 L CA 1.201 55.896 54.840 -0.241 0.000 0.749 169 L CB -0.984 41.078 42.059 0.006 0.000 0.901 169 L HN -0.110 nan 8.230 nan 0.000 0.433 170 I N -1.039 119.473 120.570 -0.096 0.000 2.179 170 I HA -0.319 3.852 4.170 0.001 0.000 0.242 170 I C 2.373 178.471 176.117 -0.032 0.000 1.088 170 I CA 1.745 63.017 61.300 -0.046 0.000 1.357 170 I CB -0.227 37.758 38.000 -0.026 0.000 1.051 170 I HN 0.294 nan 8.210 nan 0.000 0.409 171 W N 1.462 122.617 121.300 -0.241 0.000 2.338 171 W HA -0.259 4.403 4.660 0.004 0.000 0.304 171 W C 2.382 178.644 176.519 -0.429 0.000 1.212 171 W CA 1.432 58.644 57.345 -0.222 0.000 1.264 171 W CB 0.021 29.433 29.460 -0.080 0.000 1.142 171 W HN -0.157 nan 8.180 nan 0.000 0.512 172 K N -0.125 120.027 120.400 -0.413 0.000 2.097 172 K HA -0.139 4.181 4.320 0.001 0.000 0.205 172 K C 2.014 178.207 176.600 -0.679 0.000 1.050 172 K CA 1.715 57.436 56.287 -0.943 0.000 0.938 172 K CB -0.966 30.249 32.500 -2.141 0.000 0.718 172 K HN 0.361 nan 8.250 nan 0.000 0.442 173 M N 0.472 119.802 119.600 -0.450 0.000 2.086 173 M HA -0.124 4.356 4.480 0.001 0.000 0.261 173 M C 1.311 177.537 176.300 -0.124 0.000 1.067 173 M CA 1.919 57.152 55.300 -0.112 0.000 1.116 173 M CB -0.478 32.111 32.600 -0.018 0.000 1.348 173 M HN 0.084 nan 8.290 nan 0.000 0.407 174 T N -1.924 112.512 114.554 -0.197 0.000 3.256 174 T HA 0.158 4.508 4.350 0.001 0.000 0.237 174 T C 0.442 174.945 174.700 -0.328 0.000 0.908 174 T CA -0.424 61.561 62.100 -0.191 0.000 0.966 174 T CB 0.196 68.987 68.868 -0.128 0.000 1.134 174 T HN 0.329 nan 8.240 nan 0.000 0.573 175 Q N 0.262 119.843 119.800 -0.366 0.000 2.200 175 Q HA -0.320 4.020 4.340 0.001 0.000 0.207 175 Q C 1.369 176.948 176.000 -0.701 0.000 0.763 175 Q CA 2.046 57.586 55.803 -0.437 0.000 1.426 175 Q CB -2.157 26.419 28.738 -0.270 0.000 1.913 175 Q HN 1.372 nan 8.270 nan 0.000 0.608 176 G N -1.446 106.740 108.800 -1.024 0.000 2.229 176 G HA2 -0.251 3.710 3.960 0.001 0.000 0.189 176 G HA3 -0.251 3.710 3.960 0.001 0.000 0.189 176 G C 0.881 175.401 174.900 -0.634 0.000 1.000 176 G CA 0.226 44.474 45.100 -1.420 0.000 0.663 176 G HN 0.280 nan 8.290 nan 0.000 0.493 177 R N -0.024 120.237 120.500 -0.399 0.000 2.126 177 R HA 0.116 4.457 4.340 0.001 0.000 0.224 177 R C 1.619 177.897 176.300 -0.036 0.000 1.128 177 R CA 1.796 57.802 56.100 -0.156 0.000 0.895 177 R CB -0.784 29.448 30.300 -0.114 0.000 0.817 177 R HN 0.751 nan 8.270 nan 0.000 0.435 178 V N 1.563 121.472 119.914 -0.007 0.000 2.607 178 V HA 0.107 4.227 4.120 0.001 0.000 0.289 178 V C -0.343 175.950 176.094 0.331 0.000 1.053 178 V CA -0.333 62.048 62.300 0.135 0.000 0.996 178 V CB 1.240 33.133 31.823 0.116 0.000 0.995 178 V HN 0.378 nan 8.190 nan 0.000 0.476 179 H N 5.178 124.404 119.070 0.261 0.000 2.379 179 H HA 0.519 5.075 4.556 0.001 0.000 0.229 179 H C -1.249 174.177 175.328 0.164 0.000 1.423 179 H CA -0.209 56.023 56.048 0.308 0.000 1.375 179 H CB 1.476 31.413 29.762 0.293 0.000 1.592 179 H HN 0.612 nan 8.280 nan 0.000 0.507 180 V N 1.556 121.460 119.914 -0.018 0.000 3.166 180 V HA 0.581 4.702 4.120 0.001 0.000 0.317 180 V C -0.280 175.672 176.094 -0.237 0.000 1.136 180 V CA -0.274 61.945 62.300 -0.135 0.000 1.035 180 V CB 2.490 34.259 31.823 -0.090 0.000 1.110 180 V HN 0.629 nan 8.190 nan 0.000 0.450 181 T N 0.733 115.137 114.554 -0.250 0.000 2.762 181 T HA 0.402 4.753 4.350 0.001 0.000 0.301 181 T C -1.788 172.689 174.700 -0.372 0.000 1.299 181 T CA -0.394 61.539 62.100 -0.278 0.000 1.005 181 T CB 1.647 70.408 68.868 -0.178 0.000 1.377 181 T HN 1.001 nan 8.240 nan 0.000 0.504 182 D N -0.026 120.149 120.400 -0.375 0.000 2.569 182 D HA 0.280 4.921 4.640 0.001 0.000 0.266 182 D C 0.485 176.459 176.300 -0.544 0.000 1.164 182 D CA -0.415 53.326 54.000 -0.431 0.000 1.071 182 D CB 0.513 41.152 40.800 -0.269 0.000 1.183 182 D HN 0.496 nan 8.370 nan 0.000 0.613 183 Y N -0.289 119.853 120.300 -0.263 0.000 2.153 183 Y HA -0.137 4.414 4.550 0.001 0.000 0.289 183 Y C 2.897 178.619 175.900 -0.298 0.000 1.127 183 Y CA 2.232 60.141 58.100 -0.318 0.000 1.131 183 Y CB -1.057 37.293 38.460 -0.183 0.000 0.995 183 Y HN 0.632 nan 8.280 nan 0.000 0.505 184 T N -1.517 113.000 114.554 -0.062 0.000 2.684 184 T HA -0.245 4.106 4.350 0.001 0.000 0.267 184 T C 1.705 176.339 174.700 -0.111 0.000 1.036 184 T CA 2.086 64.142 62.100 -0.073 0.000 1.148 184 T CB -0.826 68.003 68.868 -0.065 0.000 0.863 184 T HN 0.339 nan 8.240 nan 0.000 0.436 185 N N 1.728 120.336 118.700 -0.154 0.000 2.058 185 N HA 0.132 4.873 4.740 0.001 0.000 0.191 185 N C 2.386 177.811 175.510 -0.141 0.000 1.037 185 N CA 1.369 54.339 53.050 -0.134 0.000 0.848 185 N CB -0.565 37.844 38.487 -0.129 0.000 1.021 185 N HN 0.579 nan 8.380 nan 0.000 0.422 186 A N 0.634 123.265 122.820 -0.316 0.000 1.917 186 A HA -0.219 4.101 4.320 0.001 0.000 0.219 186 A C 2.167 179.581 177.584 -0.283 0.000 1.182 186 A CA 2.146 53.886 52.037 -0.494 0.000 0.633 186 A CB -1.129 17.064 19.000 -1.345 0.000 0.819 186 A HN 0.460 nan 8.150 nan 0.000 0.448 187 S N -0.990 114.587 115.700 -0.206 0.000 2.493 187 S HA -0.135 4.336 4.470 0.001 0.000 0.243 187 S C 1.564 176.175 174.600 0.018 0.000 0.991 187 S CA 1.212 59.435 58.200 0.039 0.000 0.957 187 S CB -0.253 62.976 63.200 0.048 0.000 0.756 187 S HN 0.498 nan 8.310 nan 0.000 0.521 188 R N 1.157 121.669 120.500 0.019 0.000 2.334 188 R HA 0.190 4.530 4.340 0.001 0.000 0.212 188 R C 2.240 178.632 176.300 0.152 0.000 0.897 188 R CA 1.057 57.203 56.100 0.078 0.000 1.056 188 R CB -1.594 28.742 30.300 0.060 0.000 1.046 188 R HN 0.778 nan 8.270 nan 0.000 0.513 189 T N -2.158 112.490 114.554 0.157 0.000 2.995 189 T HA -0.026 4.325 4.350 0.001 0.000 0.269 189 T C 1.331 176.132 174.700 0.169 0.000 1.091 189 T CA 0.897 63.137 62.100 0.233 0.000 1.128 189 T CB -0.065 69.025 68.868 0.370 0.000 0.891 189 T HN 0.264 nan 8.240 nan 0.000 0.492 190 M N -0.715 118.934 119.600 0.082 0.000 2.939 190 M HA -0.156 4.324 4.480 0.001 0.000 0.202 190 M C -0.280 176.084 176.300 0.106 0.000 0.592 190 M CA 0.684 55.980 55.300 -0.007 0.000 0.749 190 M CB -1.498 31.052 32.600 -0.084 0.000 2.692 190 M HN 0.416 nan 8.290 nan 0.000 0.382 191 L N -0.727 120.644 121.223 0.247 0.000 2.966 191 L HA 0.364 4.705 4.340 0.001 0.000 0.262 191 L C -0.039 177.158 176.870 0.544 0.000 1.165 191 L CA -0.252 54.790 54.840 0.336 0.000 0.978 191 L CB 0.607 42.847 42.059 0.301 0.000 1.337 191 L HN 0.330 nan 8.230 nan 0.000 0.563 192 F N 1.362 121.420 119.950 0.180 0.000 2.444 192 F HA 0.399 4.927 4.527 0.001 0.000 0.342 192 F C 0.292 176.058 175.800 -0.057 0.000 1.121 192 F CA -1.010 56.983 58.000 -0.013 0.000 0.997 192 F CB 1.022 39.887 39.000 -0.225 0.000 1.130 192 F HN -0.156 nan 8.300 nan 0.000 0.454 193 N N 6.831 125.134 118.700 -0.661 0.000 2.411 193 N HA 0.087 4.827 4.740 0.001 0.000 0.259 193 N C 0.787 175.866 175.510 -0.718 0.000 1.103 193 N CA -0.093 52.649 53.050 -0.514 0.000 0.954 193 N CB 0.652 38.961 38.487 -0.296 0.000 1.085 193 N HN 0.822 nan 8.380 nan 0.000 0.485 194 I N 0.884 121.199 120.570 -0.424 0.000 3.680 194 I HA 0.106 4.277 4.170 0.001 0.000 0.306 194 I C 0.106 175.926 176.117 -0.494 0.000 1.260 194 I CA 0.161 61.251 61.300 -0.352 0.000 1.201 194 I CB -0.250 37.656 38.000 -0.156 0.000 1.009 194 I HN 0.434 nan 8.210 nan 0.000 0.467 195 H N -0.070 118.918 119.070 -0.136 0.000 2.373 195 H HA 0.125 4.682 4.556 0.001 0.000 0.290 195 H C 2.110 177.370 175.328 -0.112 0.000 0.989 195 H CA 0.990 56.984 56.048 -0.089 0.000 1.250 195 H CB 0.103 29.789 29.762 -0.126 0.000 1.477 195 H HN 0.072 nan 8.280 nan 0.000 0.551 196 T N 0.762 115.294 114.554 -0.037 0.000 2.720 196 T HA -0.103 4.248 4.350 0.001 0.000 0.268 196 T C 0.168 174.765 174.700 -0.173 0.000 1.037 196 T CA 1.399 63.435 62.100 -0.106 0.000 1.144 196 T CB -0.211 68.559 68.868 -0.163 0.000 0.864 196 T HN 0.157 nan 8.240 nan 0.000 0.444 197 L N 1.083 122.097 121.223 -0.348 0.000 3.730 197 L HA -0.115 4.225 4.340 0.001 0.000 0.410 197 L C -0.273 176.442 176.870 -0.259 0.000 1.234 197 L CA 0.708 55.381 54.840 -0.279 0.000 0.911 197 L CB -2.031 39.987 42.059 -0.068 0.000 1.942 197 L HN 0.487 nan 8.230 nan 0.000 0.860 198 D N -2.596 117.384 120.400 -0.700 0.000 2.643 198 D HA 0.502 5.143 4.640 0.001 0.000 0.283 198 D C -0.071 175.919 176.300 -0.516 0.000 1.242 198 D CA -0.619 53.165 54.000 -0.359 0.000 0.863 198 D CB 0.705 41.456 40.800 -0.081 0.000 1.382 198 D HN 0.024 nan 8.370 nan 0.000 0.444 199 W N 0.565 121.915 121.300 0.082 0.000 2.005 199 W HA 0.209 4.869 4.660 0.000 0.000 0.358 199 W C 0.556 177.064 176.519 -0.019 0.000 1.343 199 W CA 0.257 57.664 57.345 0.103 0.000 1.355 199 W CB 0.246 29.789 29.460 0.138 0.000 1.263 199 W HN 0.133 nan 8.180 nan 0.000 0.643 200 D N 0.727 121.314 120.400 0.311 0.000 2.440 200 D HA 0.046 4.686 4.640 0.001 0.000 0.252 200 D C 0.348 176.755 176.300 0.179 0.000 1.180 200 D CA -0.200 53.907 54.000 0.178 0.000 0.894 200 D CB 0.816 41.694 40.800 0.129 0.000 1.111 200 D HN 0.330 nan 8.370 nan 0.000 0.544 201 D N 2.765 123.248 120.400 0.140 0.000 2.154 201 D HA -0.253 4.387 4.640 0.001 0.000 0.190 201 D C 1.626 177.962 176.300 0.061 0.000 1.003 201 D CA 1.302 55.356 54.000 0.090 0.000 0.849 201 D CB 0.339 41.178 40.800 0.065 0.000 0.942 201 D HN 0.486 nan 8.370 nan 0.000 0.446 202 K N -0.048 120.391 120.400 0.066 0.000 2.009 202 K HA -0.162 4.159 4.320 0.001 0.000 0.210 202 K C 2.221 178.826 176.600 0.008 0.000 1.049 202 K CA 1.140 57.412 56.287 -0.026 0.000 0.929 202 K CB -0.041 32.336 32.500 -0.205 0.000 0.714 202 K HN -0.099 nan 8.250 nan 0.000 0.440 203 M N 1.050 120.714 119.600 0.106 0.000 2.108 203 M HA -0.189 4.292 4.480 0.001 0.000 0.257 203 M C 2.050 178.380 176.300 0.050 0.000 1.071 203 M CA 1.627 56.996 55.300 0.114 0.000 1.093 203 M CB -0.922 31.792 32.600 0.190 0.000 1.345 203 M HN 0.263 nan 8.290 nan 0.000 0.403 204 L N -1.468 119.781 121.223 0.042 0.000 2.217 204 L HA -0.143 4.198 4.340 0.001 0.000 0.211 204 L C 2.332 179.184 176.870 -0.030 0.000 1.107 204 L CA 0.955 55.783 54.840 -0.019 0.000 0.783 204 L CB -0.859 41.178 42.059 -0.037 0.000 0.919 204 L HN 0.411 nan 8.230 nan 0.000 0.442 205 E N 0.958 121.150 120.200 -0.013 0.000 2.008 205 E HA -0.165 4.186 4.350 0.001 0.000 0.191 205 E C 2.304 178.887 176.600 -0.029 0.000 0.986 205 E CA 1.306 57.691 56.400 -0.025 0.000 0.807 205 E CB 0.103 29.788 29.700 -0.026 0.000 0.766 205 E HN 0.144 nan 8.360 nan 0.000 0.450 206 V N 1.548 121.445 119.914 -0.028 0.000 2.250 206 V HA -0.313 3.808 4.120 0.001 0.000 0.250 206 V C 2.543 178.632 176.094 -0.009 0.000 1.060 206 V CA 2.009 64.296 62.300 -0.022 0.000 1.030 206 V CB -0.475 31.334 31.823 -0.024 0.000 0.643 206 V HN 0.359 nan 8.190 nan 0.000 0.445 207 L N -0.477 120.740 121.223 -0.009 0.000 2.291 207 L HA -0.007 4.333 4.340 0.001 0.000 0.214 207 L C 0.874 177.726 176.870 -0.030 0.000 1.120 207 L CA 0.984 55.816 54.840 -0.013 0.000 0.799 207 L CB -0.409 41.637 42.059 -0.022 0.000 0.925 207 L HN 0.496 nan 8.230 nan 0.000 0.446 208 D N 0.610 120.985 120.400 -0.040 0.000 3.241 208 D HA -0.187 4.453 4.640 0.001 0.000 0.248 208 D C -0.703 175.553 176.300 -0.075 0.000 1.093 208 D CA 0.436 54.406 54.000 -0.050 0.000 0.940 208 D CB -1.005 39.771 40.800 -0.040 0.000 0.980 208 D HN 0.185 nan 8.370 nan 0.000 0.421 209 I N 1.985 122.497 120.570 -0.097 0.000 2.478 209 I HA 0.310 4.481 4.170 0.001 0.000 0.287 209 I C -1.997 174.030 176.117 -0.151 0.000 1.042 209 I CA -2.128 59.089 61.300 -0.138 0.000 1.067 209 I CB 2.217 40.103 38.000 -0.191 0.000 1.233 209 I HN -0.072 nan 8.210 nan 0.000 0.431 210 P HA 0.016 nan 4.420 nan 0.000 0.258 210 P C 0.541 177.740 177.300 -0.168 0.000 1.187 210 P CA 0.133 63.156 63.100 -0.129 0.000 0.767 210 P CB 0.391 32.025 31.700 -0.110 0.000 0.770 211 R N 3.008 123.418 120.500 -0.149 0.000 2.249 211 R HA -0.207 4.134 4.340 0.001 0.000 0.230 211 R C 1.298 177.508 176.300 -0.150 0.000 1.121 211 R CA 1.450 57.446 56.100 -0.174 0.000 0.997 211 R CB -0.083 30.160 30.300 -0.095 0.000 0.867 211 R HN 0.377 nan 8.270 nan 0.000 0.465 212 E N -0.084 120.046 120.200 -0.116 0.000 2.265 212 E HA -0.198 4.153 4.350 0.001 0.000 0.196 212 E C 1.635 178.167 176.600 -0.113 0.000 0.996 212 E CA 1.609 57.953 56.400 -0.092 0.000 0.832 212 E CB -0.020 29.630 29.700 -0.084 0.000 0.756 212 E HN 0.569 nan 8.360 nan 0.000 0.491 213 M N -1.029 118.481 119.600 -0.149 0.000 2.441 213 M HA 0.210 4.690 4.480 0.001 0.000 0.244 213 M C -0.193 176.096 176.300 -0.018 0.000 1.122 213 M CA 0.179 55.395 55.300 -0.140 0.000 1.041 213 M CB 0.240 32.739 32.600 -0.168 0.000 1.438 213 M HN -0.179 nan 8.290 nan 0.000 0.484 214 L N 3.299 124.449 121.223 -0.122 0.000 2.397 214 L HA 0.392 4.733 4.340 0.001 0.000 0.271 214 L C -1.964 175.028 176.870 0.203 0.000 1.148 214 L CA -2.091 52.681 54.840 -0.113 0.000 0.825 214 L CB -0.184 41.345 42.059 -0.884 0.000 1.117 214 L HN 0.016 nan 8.230 nan 0.000 0.456 215 P HA 0.073 nan 4.420 nan 0.000 0.312 215 P C -1.188 176.210 177.300 0.163 0.000 1.307 215 P CA -0.419 62.507 63.100 -0.289 0.000 0.738 215 P CB 0.402 31.688 31.700 -0.690 0.000 1.422 216 E N -0.558 119.688 120.200 0.077 0.000 2.176 216 E HA 0.428 4.779 4.350 0.001 0.000 0.267 216 E C -0.964 175.626 176.600 -0.017 0.000 0.893 216 E CA -1.043 55.440 56.400 0.138 0.000 0.761 216 E CB 1.247 31.030 29.700 0.138 0.000 1.133 216 E HN 0.041 nan 8.360 nan 0.000 0.409 217 V N 3.964 123.821 119.914 -0.096 0.000 2.811 217 V HA 0.407 4.528 4.120 0.001 0.000 0.302 217 V C 0.554 176.432 176.094 -0.360 0.000 1.063 217 V CA -0.370 61.693 62.300 -0.395 0.000 1.088 217 V CB 0.472 31.876 31.823 -0.698 0.000 0.982 217 V HN 0.737 nan 8.190 nan 0.000 0.485 218 R N 1.553 121.750 120.500 -0.505 0.000 2.795 218 R HA 0.502 4.843 4.340 0.001 0.000 0.268 218 R C -0.538 175.568 176.300 -0.323 0.000 1.041 218 R CA -1.191 54.758 56.100 -0.253 0.000 0.927 218 R CB 1.759 32.093 30.300 0.057 0.000 1.235 218 R HN 0.734 nan 8.270 nan 0.000 0.463 219 R N -0.057 120.473 120.500 0.051 0.000 2.738 219 R HA 0.078 4.419 4.340 0.001 0.000 0.268 219 R C 0.605 176.992 176.300 0.144 0.000 1.062 219 R CA 0.406 56.618 56.100 0.186 0.000 1.158 219 R CB 0.505 30.906 30.300 0.170 0.000 1.046 219 R HN 0.571 nan 8.270 nan 0.000 0.493 220 S N 0.202 115.972 115.700 0.117 0.000 2.387 220 S HA -0.067 4.404 4.470 0.001 0.000 0.226 220 S C 0.535 175.190 174.600 0.092 0.000 1.026 220 S CA 0.898 59.132 58.200 0.056 0.000 0.972 220 S CB 0.129 63.301 63.200 -0.047 0.000 0.814 220 S HN 0.554 nan 8.310 nan 0.000 0.477 221 S N 1.326 117.054 115.700 0.047 0.000 2.461 221 S HA 0.500 4.971 4.470 0.001 0.000 0.322 221 S C -0.675 173.905 174.600 -0.032 0.000 1.063 221 S CA -0.564 57.648 58.200 0.019 0.000 1.120 221 S CB 0.109 63.323 63.200 0.022 0.000 0.968 221 S HN 0.477 nan 8.310 nan 0.000 0.467 222 E N 3.009 123.102 120.200 -0.177 0.000 2.405 222 E HA 0.215 4.566 4.350 0.001 0.000 0.283 222 E C -1.821 174.258 176.600 -0.868 0.000 1.140 222 E CA -0.762 55.403 56.400 -0.392 0.000 0.904 222 E CB 0.505 30.037 29.700 -0.281 0.000 1.209 222 E HN 0.329 nan 8.360 nan 0.000 0.428 223 V N 4.123 123.700 119.914 -0.561 0.000 2.555 223 V HA 0.158 4.279 4.120 0.001 0.000 0.286 223 V C -0.232 175.543 176.094 -0.532 0.000 1.044 223 V CA 0.452 62.460 62.300 -0.487 0.000 1.026 223 V CB 0.389 32.093 31.823 -0.198 0.000 0.981 223 V HN 0.702 nan 8.190 nan 0.000 0.480 224 Y N 2.444 122.747 120.300 0.005 0.000 2.425 224 Y HA 0.646 5.196 4.550 0.001 0.000 0.261 224 Y C 1.075 176.978 175.900 0.006 0.000 1.084 224 Y CA 0.233 58.336 58.100 0.005 0.000 1.248 224 Y CB 0.681 39.142 38.460 0.001 0.000 1.270 224 Y HN 0.775 nan 8.280 nan 0.000 0.524 225 G N -0.311 108.564 108.800 0.125 0.000 2.341 225 G HA2 0.512 4.472 3.960 0.001 0.000 0.299 225 G HA3 0.512 4.472 3.960 0.001 0.000 0.299 225 G C -1.945 172.983 174.900 0.046 0.000 1.274 225 G CA -0.903 44.242 45.100 0.075 0.000 0.853 225 G HN -0.083 nan 8.290 nan 0.000 0.493 226 Q N -1.185 118.630 119.800 0.024 0.000 2.553 226 Q HA 0.700 5.041 4.340 0.001 0.000 0.293 226 Q C -1.316 174.688 176.000 0.006 0.000 1.038 226 Q CA -0.913 54.898 55.803 0.014 0.000 0.777 226 Q CB 2.747 31.488 28.738 0.004 0.000 1.487 226 Q HN 0.682 nan 8.270 nan 0.000 0.426 227 T N -0.102 114.456 114.554 0.006 0.000 2.876 227 T HA 0.425 4.775 4.350 0.001 0.000 0.289 227 T C -0.793 173.907 174.700 -0.001 0.000 1.014 227 T CA -0.872 61.230 62.100 0.003 0.000 0.986 227 T CB 1.265 70.144 68.868 0.017 0.000 1.021 227 T HN 0.483 nan 8.240 nan 0.000 0.458 228 N N 2.142 120.838 118.700 -0.006 0.000 2.501 228 N HA 0.335 5.076 4.740 0.001 0.000 0.245 228 N C 0.010 175.516 175.510 -0.006 0.000 0.974 228 N CA -1.156 51.889 53.050 -0.008 0.000 0.941 228 N CB 0.170 38.649 38.487 -0.013 0.000 1.122 228 N HN 0.762 nan 8.380 nan 0.000 0.507 229 I N 1.319 121.885 120.570 -0.007 0.000 3.626 229 I HA 0.562 4.732 4.170 0.001 0.000 0.345 229 I C 1.005 177.112 176.117 -0.016 0.000 1.502 229 I CA -0.637 60.655 61.300 -0.013 0.000 1.135 229 I CB -0.244 37.746 38.000 -0.017 0.000 1.456 229 I HN 0.512 nan 8.210 nan 0.000 0.460 230 G N 1.734 110.526 108.800 -0.013 0.000 2.574 230 G HA2 0.036 3.997 3.960 0.001 0.000 0.282 230 G HA3 0.036 3.997 3.960 0.001 0.000 0.282 230 G C 0.502 175.397 174.900 -0.009 0.000 1.257 230 G CA 0.387 45.480 45.100 -0.012 0.000 0.956 230 G HN 1.620 nan 8.290 nan 0.000 0.560 231 G N -3.200 105.595 108.800 -0.009 0.000 2.955 231 G HA2 0.318 4.279 3.960 0.001 0.000 0.230 231 G HA3 0.318 4.279 3.960 0.001 0.000 0.230 231 G C 1.310 176.208 174.900 -0.004 0.000 1.587 231 G CA 2.318 47.415 45.100 -0.005 0.000 1.216 231 G HN 2.231 nan 8.290 nan 0.000 0.527 232 K N -0.135 120.264 120.400 -0.002 0.000 2.365 232 K HA 0.707 5.028 4.320 0.001 0.000 0.195 232 K C 1.905 178.503 176.600 -0.003 0.000 1.079 232 K CA 1.833 58.120 56.287 -0.001 0.000 0.979 232 K CB 0.331 32.832 32.500 0.001 0.000 0.929 232 K HN 2.787 nan 8.250 nan 0.000 0.523 233 G N -2.176 106.622 108.800 -0.003 0.000 3.014 233 G HA2 0.470 4.430 3.960 0.001 0.000 0.683 233 G HA3 0.470 4.430 3.960 0.001 0.000 0.683 233 G C 0.997 175.894 174.900 -0.004 0.000 1.271 233 G CA 0.369 45.467 45.100 -0.004 0.000 0.843 233 G HN 1.643 nan 8.290 nan 0.000 0.612 234 G N 0.063 108.860 108.800 -0.005 0.000 2.212 234 G HA2 -0.074 3.887 3.960 0.001 0.000 0.266 234 G HA3 -0.074 3.887 3.960 0.001 0.000 0.266 234 G C 0.689 175.587 174.900 -0.004 0.000 0.978 234 G CA 1.380 46.477 45.100 -0.004 0.000 0.632 234 G HN 1.971 nan 8.290 nan 0.000 0.537 235 T N 2.539 117.091 114.554 -0.003 0.000 2.817 235 T HA 0.659 5.010 4.350 0.001 0.000 0.293 235 T C 0.161 174.860 174.700 -0.003 0.000 0.964 235 T CA -0.203 61.896 62.100 -0.001 0.000 1.085 235 T CB 1.398 70.267 68.868 0.002 0.000 0.921 235 T HN 0.310 nan 8.240 nan 0.000 0.502 236 R N 2.617 123.116 120.500 -0.002 0.000 2.628 236 R HA 0.519 4.860 4.340 0.001 0.000 0.288 236 R C -0.903 175.397 176.300 0.001 0.000 0.980 236 R CA -0.695 55.404 56.100 -0.002 0.000 0.891 236 R CB 2.003 32.301 30.300 -0.004 0.000 1.188 236 R HN 0.598 nan 8.270 nan 0.000 0.450 237 I N 4.010 124.582 120.570 0.003 0.000 2.362 237 I HA 0.313 4.484 4.170 0.001 0.000 0.289 237 I C -2.152 173.971 176.117 0.011 0.000 0.994 237 I CA -2.362 58.941 61.300 0.005 0.000 1.158 237 I CB 2.213 40.216 38.000 0.005 0.000 1.315 237 I HN 0.089 nan 8.210 nan 0.000 0.451 238 P HA 0.297 nan 4.420 nan 0.000 0.282 238 P C -0.513 176.802 177.300 0.026 0.000 1.262 238 P CA -0.035 63.071 63.100 0.010 0.000 0.773 238 P CB 0.745 32.441 31.700 -0.006 0.000 0.879 239 I N 3.059 123.665 120.570 0.060 0.000 2.297 239 I HA 0.169 4.340 4.170 0.001 0.000 0.291 239 I C 0.577 176.787 176.117 0.155 0.000 1.033 239 I CA 0.155 61.527 61.300 0.119 0.000 1.253 239 I CB 0.816 38.913 38.000 0.162 0.000 1.396 239 I HN 0.350 nan 8.210 nan 0.000 0.476 240 S N 3.606 119.371 115.700 0.108 0.000 2.694 240 S HA 0.621 5.092 4.470 0.001 0.000 0.232 240 S C -0.327 174.322 174.600 0.082 0.000 1.017 240 S CA -0.578 57.592 58.200 -0.049 0.000 1.139 240 S CB 0.680 63.814 63.200 -0.109 0.000 1.247 240 S HN 0.824 nan 8.310 nan 0.000 0.452 241 G N 1.108 110.102 108.800 0.323 0.000 2.682 241 G HA2 0.556 4.517 3.960 0.001 0.000 0.300 241 G HA3 0.556 4.517 3.960 0.001 0.000 0.300 241 G C -1.515 173.490 174.900 0.175 0.000 1.396 241 G CA -0.610 44.617 45.100 0.211 0.000 1.104 241 G HN 0.444 nan 8.290 nan 0.000 0.587 242 I N 0.805 121.433 120.570 0.097 0.000 2.722 242 I HA 0.785 4.956 4.170 0.001 0.000 0.295 242 I C -0.196 175.875 176.117 -0.077 0.000 1.161 242 I CA -1.047 60.231 61.300 -0.036 0.000 1.032 242 I CB 2.501 40.400 38.000 -0.168 0.000 1.244 242 I HN 0.874 nan 8.210 nan 0.000 0.421 243 A N 3.374 126.142 122.820 -0.086 0.000 2.532 243 A HA 0.688 5.008 4.320 0.001 0.000 0.296 243 A C -0.382 177.151 177.584 -0.084 0.000 1.058 243 A CA -0.431 51.548 52.037 -0.097 0.000 0.729 243 A CB 1.282 20.213 19.000 -0.116 0.000 1.285 243 A HN 0.874 nan 8.150 nan 0.000 0.396 244 G N 1.692 110.437 108.800 -0.091 0.000 2.305 244 G HA2 0.322 4.282 3.960 0.001 0.000 0.243 244 G HA3 0.322 4.282 3.960 0.001 0.000 0.243 244 G C 0.699 175.541 174.900 -0.097 0.000 1.288 244 G CA 0.622 45.664 45.100 -0.097 0.000 0.901 244 G HN 0.981 nan 8.290 nan 0.000 0.516 245 D N 2.251 122.586 120.400 -0.108 0.000 2.133 245 D HA -0.249 4.392 4.640 0.001 0.000 0.192 245 D C 1.823 178.063 176.300 -0.100 0.000 1.001 245 D CA 1.560 55.503 54.000 -0.096 0.000 0.844 245 D CB -0.214 40.526 40.800 -0.099 0.000 0.944 245 D HN 0.399 nan 8.370 nan 0.000 0.447 246 Q N 0.229 119.926 119.800 -0.171 0.000 2.135 246 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 246 Q C 2.365 178.355 176.000 -0.017 0.000 0.981 246 Q CA 1.423 57.161 55.803 -0.109 0.000 0.856 246 Q CB -0.582 28.070 28.738 -0.144 0.000 0.902 246 Q HN 0.551 nan 8.270 nan 0.000 0.425 247 Q N 0.362 120.148 119.800 -0.024 0.000 2.119 247 Q HA -0.020 4.320 4.340 0.001 0.000 0.201 247 Q C 2.047 178.079 176.000 0.054 0.000 0.972 247 Q CA 1.576 57.391 55.803 0.019 0.000 0.847 247 Q CB -0.321 28.413 28.738 -0.007 0.000 0.903 247 Q HN 0.450 nan 8.270 nan 0.000 0.433 248 A N 0.518 123.346 122.820 0.014 0.000 1.972 248 A HA -0.093 4.228 4.320 0.001 0.000 0.219 248 A C 2.187 179.827 177.584 0.093 0.000 1.169 248 A CA 1.598 53.656 52.037 0.035 0.000 0.635 248 A CB -0.725 18.266 19.000 -0.015 0.000 0.810 248 A HN 0.387 nan 8.150 nan 0.000 0.446 249 A N -0.915 121.940 122.820 0.059 0.000 1.970 249 A HA 0.149 4.470 4.320 0.001 0.000 0.216 249 A C 2.027 179.663 177.584 0.088 0.000 1.170 249 A CA 1.359 53.431 52.037 0.059 0.000 0.645 249 A CB -0.455 18.570 19.000 0.042 0.000 0.816 249 A HN 0.511 nan 8.150 nan 0.000 0.447 250 L N -1.532 119.753 121.223 0.103 0.000 2.046 250 L HA -0.061 4.279 4.340 0.001 0.000 0.208 250 L C 2.135 179.089 176.870 0.141 0.000 1.077 250 L CA 1.928 56.833 54.840 0.108 0.000 0.747 250 L CB -0.842 41.283 42.059 0.110 0.000 0.896 250 L HN 0.422 nan 8.230 nan 0.000 0.432 251 F N 0.211 120.177 119.950 0.027 0.000 2.075 251 F HA -0.059 4.469 4.527 0.001 0.000 0.297 251 F C 2.289 178.131 175.800 0.071 0.000 1.113 251 F CA 1.747 59.777 58.000 0.049 0.000 1.218 251 F CB -0.894 38.136 39.000 0.050 0.000 0.984 251 F HN 0.146 nan 8.300 nan 0.000 0.472 252 G N -0.898 108.046 108.800 0.239 0.000 2.501 252 G HA2 -0.209 3.752 3.960 0.001 0.000 0.220 252 G HA3 -0.209 3.752 3.960 0.001 0.000 0.220 252 G C 1.429 176.357 174.900 0.047 0.000 1.114 252 G CA 0.511 45.650 45.100 0.065 0.000 0.757 252 G HN 0.329 nan 8.290 nan 0.000 0.559 253 Q N -0.895 118.927 119.800 0.036 0.000 2.424 253 Q HA 0.182 4.523 4.340 0.001 0.000 0.204 253 Q C 0.810 176.800 176.000 -0.016 0.000 0.933 253 Q CA -0.089 55.727 55.803 0.022 0.000 0.929 253 Q CB 0.372 29.129 28.738 0.030 0.000 1.037 253 Q HN 0.272 nan 8.270 nan 0.000 0.511 254 L N -1.111 120.065 121.223 -0.078 0.000 4.406 254 L HA -0.190 4.151 4.340 0.001 0.000 0.406 254 L C -0.387 176.412 176.870 -0.118 0.000 1.133 254 L CA 0.262 55.004 54.840 -0.163 0.000 0.974 254 L CB -2.914 39.070 42.059 -0.125 0.000 2.152 254 L HN 0.217 nan 8.230 nan 0.000 0.736 255 C N -0.233 119.029 119.300 -0.064 0.000 3.247 255 C HA 0.354 4.815 4.460 0.001 0.000 0.573 255 C C 2.184 177.163 174.990 -0.018 0.000 1.106 255 C CA -0.135 58.871 59.018 -0.021 0.000 1.209 255 C CB -1.314 26.435 27.740 0.015 0.000 1.460 255 C HN 0.375 nan 8.230 nan 0.000 0.634 256 V N 1.042 120.921 119.914 -0.059 0.000 3.174 256 V HA -0.019 4.102 4.120 0.001 0.000 0.254 256 V C 1.238 177.330 176.094 -0.002 0.000 1.120 256 V CA 1.248 63.525 62.300 -0.039 0.000 1.114 256 V CB -0.309 31.442 31.823 -0.119 0.000 0.756 256 V HN 0.692 nan 8.190 nan 0.000 0.467 257 K N 0.830 121.225 120.400 -0.008 0.000 2.095 257 K HA 0.424 4.745 4.320 0.001 0.000 0.252 257 K C 0.013 176.622 176.600 0.015 0.000 0.977 257 K CA -0.652 55.638 56.287 0.005 0.000 0.900 257 K CB 1.372 33.871 32.500 -0.003 0.000 1.060 257 K HN 0.146 nan 8.250 nan 0.000 0.449 258 E N 0.273 120.486 120.200 0.020 0.000 2.481 258 E HA -0.067 4.283 4.350 0.001 0.000 0.263 258 E C 0.570 177.180 176.600 0.016 0.000 0.992 258 E CA 1.087 57.502 56.400 0.024 0.000 0.938 258 E CB 0.011 29.724 29.700 0.022 0.000 0.933 258 E HN 0.753 nan 8.360 nan 0.000 0.453 259 G N 3.713 112.524 108.800 0.018 0.000 2.155 259 G HA2 -0.301 3.660 3.960 0.001 0.000 0.257 259 G HA3 -0.301 3.660 3.960 0.001 0.000 0.257 259 G C 0.083 174.988 174.900 0.007 0.000 0.983 259 G CA 0.603 45.708 45.100 0.009 0.000 0.676 259 G HN 0.479 nan 8.290 nan 0.000 0.528 260 M N 0.523 120.132 119.600 0.015 0.000 2.209 260 M HA 0.667 5.148 4.480 0.001 0.000 0.355 260 M C 0.222 176.536 176.300 0.023 0.000 1.171 260 M CA 0.090 55.398 55.300 0.014 0.000 1.069 260 M CB 2.002 34.607 32.600 0.009 0.000 1.622 260 M HN 0.547 nan 8.290 nan 0.000 0.459 261 A N 3.019 125.851 122.820 0.021 0.000 2.498 261 A HA 0.924 5.245 4.320 0.001 0.000 0.298 261 A C -1.243 176.359 177.584 0.029 0.000 1.075 261 A CA -0.868 51.184 52.037 0.026 0.000 0.714 261 A CB 1.621 20.632 19.000 0.018 0.000 1.299 261 A HN 0.797 nan 8.150 nan 0.000 0.407 262 K N 0.510 120.930 120.400 0.034 0.000 2.482 262 K HA 0.736 5.057 4.320 0.001 0.000 0.257 262 K C -1.164 175.449 176.600 0.021 0.000 0.969 262 K CA -0.651 55.659 56.287 0.038 0.000 0.842 262 K CB 1.378 33.909 32.500 0.051 0.000 1.359 262 K HN 0.392 nan 8.250 nan 0.000 0.441 263 N N -0.231 118.479 118.700 0.017 0.000 2.314 263 N HA 0.518 5.259 4.740 0.001 0.000 0.294 263 N C -1.607 173.878 175.510 -0.041 0.000 1.029 263 N CA -0.390 52.619 53.050 -0.067 0.000 0.845 263 N CB 2.203 40.586 38.487 -0.174 0.000 1.321 263 N HN 0.674 nan 8.380 nan 0.000 0.481 264 T N 2.954 117.438 114.554 -0.117 0.000 2.841 264 T HA 0.342 4.693 4.350 0.001 0.000 0.285 264 T C -1.100 173.544 174.700 -0.094 0.000 0.991 264 T CA -0.196 61.915 62.100 0.018 0.000 0.966 264 T CB 0.286 69.229 68.868 0.124 0.000 0.962 264 T HN 0.270 nan 8.240 nan 0.000 0.438 265 Y N 2.275 122.637 120.300 0.104 0.000 2.944 265 Y HA 0.539 5.090 4.550 0.001 0.000 0.335 265 Y C 0.954 176.928 175.900 0.124 0.000 1.075 265 Y CA -0.672 57.483 58.100 0.092 0.000 1.240 265 Y CB 0.763 39.250 38.460 0.044 0.000 1.167 265 Y HN 0.837 nan 8.280 nan 0.000 0.555 266 G N 0.063 109.043 108.800 0.301 0.000 3.134 266 G HA2 0.063 4.023 3.960 0.001 0.000 0.158 266 G HA3 0.063 4.023 3.960 0.001 0.000 0.158 266 G C 1.022 176.094 174.900 0.287 0.000 1.334 266 G CA -0.157 45.109 45.100 0.277 0.000 1.001 266 G HN 0.284 nan 8.290 nan 0.000 0.600 267 T N 0.227 114.982 114.554 0.335 0.000 2.737 267 T HA 0.086 4.437 4.350 0.001 0.000 0.269 267 T C 1.124 176.053 174.700 0.382 0.000 1.040 267 T CA 1.635 63.942 62.100 0.345 0.000 1.142 267 T CB -0.398 68.749 68.868 0.465 0.000 0.861 267 T HN 0.671 nan 8.240 nan 0.000 0.456 268 G N -1.505 107.605 108.800 0.516 0.000 2.816 268 G HA2 0.515 4.475 3.960 0.001 0.000 0.288 268 G HA3 0.515 4.475 3.960 0.001 0.000 0.288 268 G C -1.499 173.379 174.900 -0.036 0.000 1.334 268 G CA -0.506 44.770 45.100 0.293 0.000 0.978 268 G HN 0.300 nan 8.290 nan 0.000 0.493 269 C N -0.106 118.808 119.300 -0.643 0.000 2.379 269 C HA 0.823 5.284 4.460 0.001 0.000 0.323 269 C C -1.459 172.919 174.990 -1.019 0.000 1.262 269 C CA -0.774 57.888 59.018 -0.592 0.000 1.581 269 C CB -0.488 26.956 27.740 -0.493 0.000 2.221 269 C HN 0.429 nan 8.230 nan 0.000 0.497 270 F N 4.572 124.432 119.950 -0.150 0.000 2.536 270 F HA 0.578 5.106 4.527 0.002 0.000 0.322 270 F C 0.002 175.746 175.800 -0.094 0.000 1.144 270 F CA -0.735 57.212 58.000 -0.087 0.000 0.924 270 F CB 1.078 40.055 39.000 -0.038 0.000 1.181 270 F HN 0.287 nan 8.300 nan 0.000 0.438 271 M N 4.956 124.592 119.600 0.060 0.000 2.243 271 M HA 0.720 5.201 4.480 0.001 0.000 0.324 271 M C -1.950 174.394 176.300 0.074 0.000 1.031 271 M CA -0.634 54.680 55.300 0.024 0.000 0.949 271 M CB 1.590 34.164 32.600 -0.042 0.000 1.615 271 M HN 0.686 nan 8.290 nan 0.000 0.430 272 L N 4.531 125.795 121.223 0.068 0.000 2.445 272 L HA 0.635 4.975 4.340 0.001 0.000 0.262 272 L C -1.009 175.897 176.870 0.060 0.000 0.974 272 L CA -0.187 54.700 54.840 0.079 0.000 0.822 272 L CB 2.465 44.579 42.059 0.091 0.000 1.339 272 L HN 0.756 nan 8.230 nan 0.000 0.409 273 M N 2.796 122.433 119.600 0.062 0.000 2.393 273 M HA 0.440 4.920 4.480 0.001 0.000 0.316 273 M C -0.926 175.411 176.300 0.061 0.000 1.087 273 M CA -0.585 54.745 55.300 0.051 0.000 0.937 273 M CB 1.689 34.313 32.600 0.039 0.000 1.668 273 M HN 0.624 nan 8.290 nan 0.000 0.438 274 N N 2.343 121.076 118.700 0.055 0.000 2.442 274 N HA 0.065 4.805 4.740 0.001 0.000 0.265 274 N C 0.112 175.659 175.510 0.061 0.000 1.138 274 N CA 0.432 53.520 53.050 0.062 0.000 0.956 274 N CB 1.073 39.592 38.487 0.053 0.000 1.067 274 N HN 0.792 nan 8.380 nan 0.000 0.474 275 T N 0.990 115.595 114.554 0.084 0.000 3.186 275 T HA 0.343 4.694 4.350 0.001 0.000 0.257 275 T C 1.030 175.784 174.700 0.091 0.000 1.029 275 T CA 0.268 62.416 62.100 0.080 0.000 0.916 275 T CB -0.436 68.481 68.868 0.081 0.000 1.041 275 T HN 0.680 nan 8.240 nan 0.000 0.562 276 G N 2.062 110.915 108.800 0.088 0.000 2.566 276 G HA2 -0.321 3.640 3.960 0.001 0.000 0.280 276 G HA3 -0.321 3.640 3.960 0.001 0.000 0.280 276 G C 0.411 175.388 174.900 0.129 0.000 1.225 276 G CA 0.381 45.530 45.100 0.083 0.000 0.966 276 G HN 0.431 nan 8.290 nan 0.000 0.560 277 E N 0.951 121.217 120.200 0.110 0.000 2.358 277 E HA 0.106 4.456 4.350 0.001 0.000 0.195 277 E C 1.337 178.058 176.600 0.203 0.000 1.010 277 E CA 1.199 57.685 56.400 0.142 0.000 0.856 277 E CB -0.008 29.740 29.700 0.080 0.000 0.795 277 E HN 0.653 nan 8.360 nan 0.000 0.504 278 K N -0.061 120.412 120.400 0.122 0.000 2.172 278 K HA 0.543 4.864 4.320 0.001 0.000 0.276 278 K C -0.818 175.745 176.600 -0.060 0.000 1.013 278 K CA -0.557 55.741 56.287 0.017 0.000 0.913 278 K CB 1.786 34.286 32.500 0.001 0.000 1.055 278 K HN -0.147 nan 8.250 nan 0.000 0.461 279 A N 4.045 126.666 122.820 -0.331 0.000 2.322 279 A HA 0.297 4.618 4.320 0.001 0.000 0.327 279 A C -0.413 177.050 177.584 -0.201 0.000 1.394 279 A CA -0.862 50.901 52.037 -0.458 0.000 0.921 279 A CB 0.667 18.998 19.000 -1.115 0.000 1.153 279 A HN 0.592 nan 8.150 nan 0.000 0.523 280 V N 3.116 122.983 119.914 -0.079 0.000 2.740 280 V HA 0.182 4.303 4.120 0.001 0.000 0.303 280 V C 0.443 176.517 176.094 -0.033 0.000 1.054 280 V CA 0.238 62.513 62.300 -0.042 0.000 1.106 280 V CB 1.022 32.841 31.823 -0.006 0.000 0.957 280 V HN 0.965 nan 8.190 nan 0.000 0.486 281 K N 3.702 124.085 120.400 -0.028 0.000 2.159 281 K HA 0.617 4.938 4.320 0.001 0.000 0.266 281 K C -0.278 176.322 176.600 0.001 0.000 0.975 281 K CA -0.171 56.105 56.287 -0.018 0.000 0.865 281 K CB 1.620 34.104 32.500 -0.027 0.000 1.087 281 K HN 0.441 nan 8.250 nan 0.000 0.446 282 S N 1.289 116.997 115.700 0.014 0.000 2.610 282 S HA 0.170 4.641 4.470 0.001 0.000 0.273 282 S C -0.006 174.613 174.600 0.031 0.000 1.274 282 S CA -0.603 57.616 58.200 0.032 0.000 1.023 282 S CB 0.552 63.788 63.200 0.058 0.000 0.962 282 S HN 0.747 nan 8.310 nan 0.000 0.523 283 E N 2.256 122.478 120.200 0.037 0.000 2.541 283 E HA 0.095 4.446 4.350 0.001 0.000 0.219 283 E C -0.091 176.541 176.600 0.053 0.000 0.922 283 E CA 0.062 56.485 56.400 0.039 0.000 1.095 283 E CB 0.053 29.770 29.700 0.029 0.000 1.112 283 E HN 0.678 nan 8.360 nan 0.000 0.516 284 N N 0.815 119.551 118.700 0.059 0.000 2.327 284 N HA 0.158 4.898 4.740 0.001 0.000 0.231 284 N C 0.569 176.133 175.510 0.090 0.000 1.130 284 N CA 0.332 53.419 53.050 0.063 0.000 0.845 284 N CB 1.068 39.584 38.487 0.047 0.000 1.073 284 N HN 0.150 nan 8.380 nan 0.000 0.496 285 G N 0.514 109.397 108.800 0.139 0.000 2.176 285 G HA2 -0.270 3.691 3.960 0.001 0.000 0.252 285 G HA3 -0.270 3.691 3.960 0.001 0.000 0.252 285 G C -0.068 175.071 174.900 0.398 0.000 1.024 285 G CA 0.105 45.367 45.100 0.270 0.000 0.755 285 G HN 0.262 nan 8.290 nan 0.000 0.507 286 L N -1.011 120.364 121.223 0.253 0.000 2.335 286 L HA 0.763 5.104 4.340 0.001 0.000 0.268 286 L C 0.746 177.750 176.870 0.223 0.000 1.016 286 L CA -1.198 53.794 54.840 0.253 0.000 0.805 286 L CB 1.457 43.603 42.059 0.145 0.000 1.311 286 L HN 0.019 nan 8.230 nan 0.000 0.456 287 L N 0.109 121.470 121.223 0.231 0.000 2.346 287 L HA 0.433 4.773 4.340 0.001 0.000 0.276 287 L C -0.412 176.531 176.870 0.121 0.000 1.006 287 L CA -0.522 54.415 54.840 0.163 0.000 0.817 287 L CB 2.022 44.227 42.059 0.245 0.000 1.272 287 L HN 0.526 nan 8.230 nan 0.000 0.421 288 T N 1.079 115.672 114.554 0.065 0.000 2.856 288 T HA 0.466 4.817 4.350 0.001 0.000 0.292 288 T C 0.020 174.768 174.700 0.081 0.000 0.980 288 T CA -0.061 62.078 62.100 0.065 0.000 1.091 288 T CB 1.523 70.401 68.868 0.017 0.000 0.936 288 T HN 0.691 nan 8.240 nan 0.000 0.503 289 T N 1.747 116.380 114.554 0.132 0.000 2.711 289 T HA 0.561 4.912 4.350 0.001 0.000 0.302 289 T C -1.496 173.288 174.700 0.139 0.000 1.373 289 T CA -0.740 61.432 62.100 0.120 0.000 1.000 289 T CB 0.853 69.779 68.868 0.097 0.000 1.483 289 T HN 0.446 nan 8.240 nan 0.000 0.499 290 I N 2.637 123.227 120.570 0.034 0.000 2.312 290 I HA 0.597 4.767 4.170 0.001 0.000 0.290 290 I C 0.651 176.726 176.117 -0.070 0.000 1.008 290 I CA -0.683 60.552 61.300 -0.108 0.000 1.226 290 I CB 0.923 38.849 38.000 -0.122 0.000 1.371 290 I HN 0.748 nan 8.210 nan 0.000 0.468 291 A N 5.953 128.723 122.820 -0.083 0.000 2.624 291 A HA 0.660 4.981 4.320 0.001 0.000 0.267 291 A C -0.843 176.726 177.584 -0.025 0.000 1.282 291 A CA -0.393 51.634 52.037 -0.016 0.000 0.934 291 A CB 1.081 20.104 19.000 0.038 0.000 1.510 291 A HN 0.709 nan 8.150 nan 0.000 0.477 292 C N 0.151 119.490 119.300 0.064 0.000 2.303 292 C HA 0.668 5.129 4.460 0.001 0.000 0.326 292 C C 1.242 176.355 174.990 0.204 0.000 1.285 292 C CA -0.338 58.745 59.018 0.109 0.000 1.675 292 C CB 0.063 27.862 27.740 0.098 0.000 2.289 292 C HN 1.015 nan 8.230 nan 0.000 0.512 293 G N 3.715 112.594 108.800 0.131 0.000 2.683 293 G HA2 0.277 4.237 3.960 0.001 0.000 0.260 293 G HA3 0.277 4.237 3.960 0.001 0.000 0.260 293 G C -1.691 173.345 174.900 0.227 0.000 1.238 293 G CA -0.482 44.693 45.100 0.124 0.000 0.934 293 G HN 0.508 nan 8.290 nan 0.000 0.534 294 P HA 0.087 nan 4.420 nan 0.000 0.239 294 P C 0.942 178.338 177.300 0.161 0.000 1.184 294 P CA 1.084 64.242 63.100 0.097 0.000 0.760 294 P CB 0.621 32.336 31.700 0.025 0.000 0.884 295 T N -2.826 111.843 114.554 0.192 0.000 3.087 295 T HA 0.408 4.759 4.350 0.001 0.000 0.283 295 T C 1.129 175.931 174.700 0.169 0.000 0.956 295 T CA 0.598 62.801 62.100 0.172 0.000 0.894 295 T CB -0.049 68.879 68.868 0.101 0.000 1.160 295 T HN 0.159 nan 8.240 nan 0.000 0.532 296 G N 2.257 111.162 108.800 0.175 0.000 2.184 296 G HA2 -0.159 3.801 3.960 0.001 0.000 0.206 296 G HA3 -0.159 3.801 3.960 0.001 0.000 0.206 296 G C -0.091 174.840 174.900 0.052 0.000 0.995 296 G CA 0.090 45.225 45.100 0.059 0.000 0.651 296 G HN 0.641 nan 8.290 nan 0.000 0.511 297 E N 1.206 121.444 120.200 0.063 0.000 2.392 297 E HA 0.433 4.783 4.350 0.001 0.000 0.259 297 E C 0.345 176.924 176.600 -0.035 0.000 1.108 297 E CA -0.560 55.849 56.400 0.016 0.000 0.916 297 E CB 1.322 31.030 29.700 0.014 0.000 0.989 297 E HN 0.342 nan 8.360 nan 0.000 0.432 298 V N 3.260 123.097 119.914 -0.129 0.000 2.493 298 V HA -0.012 4.109 4.120 0.001 0.000 0.292 298 V C 0.058 175.999 176.094 -0.255 0.000 1.016 298 V CA 0.356 62.500 62.300 -0.261 0.000 1.097 298 V CB -0.419 31.137 31.823 -0.445 0.000 0.947 298 V HN 0.567 nan 8.190 nan 0.000 0.479 299 N N 3.372 121.906 118.700 -0.276 0.000 2.701 299 N HA 0.629 5.369 4.740 0.001 0.000 0.290 299 N C -1.291 173.976 175.510 -0.404 0.000 1.338 299 N CA -0.611 52.315 53.050 -0.207 0.000 0.799 299 N CB 1.400 39.873 38.487 -0.024 0.000 1.491 299 N HN 0.454 nan 8.380 nan 0.000 0.540 300 Y N -0.449 119.849 120.300 -0.003 0.000 2.524 300 Y HA 0.785 5.335 4.550 0.001 0.000 0.344 300 Y C -0.086 175.822 175.900 0.015 0.000 1.012 300 Y CA -0.884 57.212 58.100 -0.006 0.000 1.068 300 Y CB 1.958 40.405 38.460 -0.021 0.000 1.249 300 Y HN 0.554 nan 8.280 nan 0.000 0.468 301 A N 1.890 124.834 122.820 0.207 0.000 2.587 301 A HA 0.798 5.119 4.320 0.001 0.000 0.293 301 A C -1.941 175.718 177.584 0.125 0.000 1.087 301 A CA -0.762 51.355 52.037 0.133 0.000 0.692 301 A CB 1.249 20.310 19.000 0.102 0.000 1.291 301 A HN 0.713 nan 8.150 nan 0.000 0.407 302 L N 1.098 122.381 121.223 0.100 0.000 2.325 302 L HA 0.689 5.029 4.340 0.001 0.000 0.279 302 L C 0.182 177.118 176.870 0.110 0.000 1.054 302 L CA -0.221 54.677 54.840 0.097 0.000 0.804 302 L CB 1.637 43.741 42.059 0.075 0.000 1.200 302 L HN 0.921 nan 8.230 nan 0.000 0.436 303 E N 1.788 122.072 120.200 0.139 0.000 2.343 303 E HA 0.604 4.955 4.350 0.001 0.000 0.278 303 E C -1.218 175.499 176.600 0.196 0.000 0.910 303 E CA -0.818 55.681 56.400 0.163 0.000 0.757 303 E CB 2.175 31.993 29.700 0.197 0.000 1.218 303 E HN 0.611 nan 8.360 nan 0.000 0.435 304 G N 1.737 110.627 108.800 0.149 0.000 2.487 304 G HA2 0.640 4.601 3.960 0.001 0.000 0.314 304 G HA3 0.640 4.601 3.960 0.001 0.000 0.314 304 G C -0.963 173.975 174.900 0.062 0.000 1.267 304 G CA -0.414 44.749 45.100 0.105 0.000 0.937 304 G HN 0.551 nan 8.290 nan 0.000 0.481 305 A N 2.136 125.000 122.820 0.072 0.000 2.288 305 A HA 0.725 5.045 4.320 0.001 0.000 0.320 305 A C -0.559 176.735 177.584 -0.483 0.000 1.217 305 A CA -0.535 51.466 52.037 -0.061 0.000 0.840 305 A CB 1.559 20.816 19.000 0.428 0.000 1.179 305 A HN 0.842 nan 8.150 nan 0.000 0.504 306 V N 4.070 123.569 119.914 -0.691 0.000 2.407 306 V HA 0.237 4.358 4.120 0.001 0.000 0.291 306 V C 0.371 176.288 176.094 -0.295 0.000 1.018 306 V CA -0.336 61.633 62.300 -0.552 0.000 0.842 306 V CB 0.793 32.361 31.823 -0.427 0.000 0.996 306 V HN 0.885 nan 8.190 nan 0.000 0.426 307 F N 2.748 122.620 119.950 -0.130 0.000 2.161 307 F HA 0.063 4.591 4.527 0.001 0.000 0.300 307 F C 1.175 177.071 175.800 0.160 0.000 1.089 307 F CA 1.072 59.145 58.000 0.122 0.000 1.282 307 F CB -0.118 38.906 39.000 0.039 0.000 1.010 307 F HN 0.278 nan 8.300 nan 0.000 0.485 308 M N -0.935 118.812 119.600 0.244 0.000 2.093 308 M HA 0.512 4.993 4.480 0.001 0.000 0.297 308 M C 0.260 176.637 176.300 0.128 0.000 0.938 308 M CA -0.148 55.260 55.300 0.180 0.000 0.920 308 M CB 1.610 34.321 32.600 0.184 0.000 1.517 308 M HN 0.037 nan 8.290 nan 0.000 0.427 309 A N 2.672 125.572 122.820 0.133 0.000 1.857 309 A HA 0.602 4.923 4.320 0.001 0.000 0.192 309 A C 1.466 179.132 177.584 0.137 0.000 2.203 309 A CA 0.704 52.823 52.037 0.136 0.000 1.377 309 A CB -0.796 18.285 19.000 0.136 0.000 0.976 309 A HN 0.787 nan 8.150 nan 0.000 0.594 310 G N -0.185 108.706 108.800 0.152 0.000 2.744 310 G HA2 0.282 4.243 3.960 0.001 0.000 0.211 310 G HA3 0.282 4.243 3.960 0.001 0.000 0.211 310 G C 1.264 176.208 174.900 0.075 0.000 1.143 310 G CA 1.324 46.491 45.100 0.112 0.000 0.788 310 G HN 0.865 nan 8.290 nan 0.000 0.534 311 A N 0.524 123.385 122.820 0.068 0.000 2.067 311 A HA 0.172 4.492 4.320 0.001 0.000 0.217 311 A C 2.574 180.122 177.584 -0.061 0.000 1.156 311 A CA 1.701 53.740 52.037 0.004 0.000 0.683 311 A CB -0.247 18.743 19.000 -0.016 0.000 0.808 311 A HN 0.252 nan 8.150 nan 0.000 0.455 312 S N 0.146 115.818 115.700 -0.047 0.000 2.368 312 S HA -0.113 4.358 4.470 0.001 0.000 0.224 312 S C 1.762 176.438 174.600 0.126 0.000 1.029 312 S CA 1.521 59.690 58.200 -0.052 0.000 0.988 312 S CB -0.461 62.762 63.200 0.038 0.000 0.838 312 S HN 0.600 nan 8.310 nan 0.000 0.462 313 I N 1.966 122.591 120.570 0.093 0.000 2.226 313 I HA -0.219 3.951 4.170 0.001 0.000 0.245 313 I C 2.768 178.917 176.117 0.053 0.000 1.100 313 I CA 1.352 62.699 61.300 0.078 0.000 1.374 313 I CB -0.539 37.490 38.000 0.048 0.000 1.057 313 I HN 0.365 nan 8.210 nan 0.000 0.413 314 Q N 0.625 120.449 119.800 0.041 0.000 2.291 314 Q HA -0.253 4.087 4.340 0.001 0.000 0.205 314 Q C 2.113 178.151 176.000 0.065 0.000 0.970 314 Q CA 1.422 57.238 55.803 0.021 0.000 0.876 314 Q CB -0.334 28.402 28.738 -0.003 0.000 0.935 314 Q HN 0.663 nan 8.270 nan 0.000 0.455 315 W N 1.311 122.521 121.300 -0.149 0.000 2.409 315 W HA -0.044 4.617 4.660 0.001 0.000 0.299 315 W C 1.654 178.107 176.519 -0.110 0.000 1.203 315 W CA 1.110 58.352 57.345 -0.171 0.000 1.298 315 W CB -0.300 28.971 29.460 -0.316 0.000 1.127 315 W HN 0.087 nan 8.180 nan 0.000 0.528 316 L N 0.395 121.594 121.223 -0.040 0.000 1.989 316 L HA -0.262 4.079 4.340 0.001 0.000 0.211 316 L C 2.947 179.669 176.870 -0.247 0.000 1.071 316 L CA 1.759 56.451 54.840 -0.246 0.000 0.749 316 L CB -0.998 41.026 42.059 -0.057 0.000 0.890 316 L HN -0.055 nan 8.230 nan 0.000 0.431 317 R N 0.027 120.448 120.500 -0.132 0.000 2.075 317 R HA -0.164 4.177 4.340 0.001 0.000 0.230 317 R C 1.996 178.217 176.300 -0.132 0.000 1.140 317 R CA 2.170 58.203 56.100 -0.111 0.000 0.928 317 R CB -0.319 29.943 30.300 -0.064 0.000 0.834 317 R HN 0.441 nan 8.270 nan 0.000 0.429 318 D N -0.288 120.044 120.400 -0.114 0.000 2.106 318 D HA -0.100 4.541 4.640 0.001 0.000 0.203 318 D C 1.935 178.148 176.300 -0.144 0.000 0.977 318 D CA 1.065 55.007 54.000 -0.097 0.000 0.844 318 D CB -0.246 40.529 40.800 -0.042 0.000 1.002 318 D HN 0.131 nan 8.370 nan 0.000 0.461 319 E N -0.103 119.965 120.200 -0.221 0.000 2.051 319 E HA 0.016 4.367 4.350 0.001 0.000 0.189 319 E C 2.024 178.361 176.600 -0.438 0.000 0.979 319 E CA 0.714 56.934 56.400 -0.301 0.000 0.803 319 E CB 0.006 29.432 29.700 -0.458 0.000 0.761 319 E HN 0.072 nan 8.360 nan 0.000 0.451 320 M N -0.459 118.746 119.600 -0.658 0.000 2.447 320 M HA 0.092 4.572 4.480 0.001 0.000 0.264 320 M C 0.577 176.663 176.300 -0.358 0.000 1.095 320 M CA 0.592 55.532 55.300 -0.601 0.000 1.125 320 M CB -0.208 31.861 32.600 -0.885 0.000 1.389 320 M HN -0.059 nan 8.290 nan 0.000 0.459 321 K N -0.373 119.856 120.400 -0.284 0.000 3.209 321 K HA -0.162 4.158 4.320 0.001 0.000 0.289 321 K C 0.803 177.280 176.600 -0.205 0.000 1.191 321 K CA 0.276 56.446 56.287 -0.196 0.000 0.851 321 K CB -1.553 30.852 32.500 -0.159 0.000 1.242 321 K HN 0.299 nan 8.250 nan 0.000 0.480 322 L N 0.136 121.201 121.223 -0.263 0.000 2.307 322 L HA 0.165 4.505 4.340 0.001 0.000 0.211 322 L C 1.109 177.733 176.870 -0.410 0.000 1.099 322 L CA 0.610 55.258 54.840 -0.320 0.000 0.816 322 L CB -0.037 41.817 42.059 -0.343 0.000 0.952 322 L HN 0.265 nan 8.230 nan 0.000 0.455 323 I N -3.657 116.758 120.570 -0.258 0.000 2.740 323 I HA 0.368 4.539 4.170 0.001 0.000 0.303 323 I C -0.602 175.528 176.117 0.022 0.000 1.044 323 I CA -0.762 60.482 61.300 -0.094 0.000 1.064 323 I CB 1.746 39.797 38.000 0.084 0.000 1.249 323 I HN -0.104 nan 8.210 nan 0.000 0.433 324 N N 2.789 121.576 118.700 0.146 0.000 2.553 324 N HA 0.338 5.078 4.740 0.001 0.000 0.298 324 N C -1.234 174.331 175.510 0.092 0.000 1.596 324 N CA -0.206 52.887 53.050 0.072 0.000 0.910 324 N CB 0.450 38.968 38.487 0.051 0.000 1.336 324 N HN 0.632 nan 8.380 nan 0.000 0.497 325 D N -0.378 120.091 120.400 0.115 0.000 2.141 325 D HA 0.053 4.694 4.640 0.001 0.000 0.146 325 D C 0.319 176.654 176.300 0.060 0.000 1.035 325 D CA -0.390 53.694 54.000 0.139 0.000 0.976 325 D CB 0.701 41.695 40.800 0.324 0.000 3.523 325 D HN 0.059 nan 8.370 nan 0.000 0.515 326 A N 2.205 124.909 122.820 -0.194 0.000 2.194 326 A HA -0.205 4.116 4.320 0.001 0.000 0.220 326 A C 1.020 178.522 177.584 -0.137 0.000 1.162 326 A CA 1.461 53.373 52.037 -0.208 0.000 0.674 326 A CB -0.614 18.263 19.000 -0.204 0.000 0.789 326 A HN 0.573 nan 8.150 nan 0.000 0.470 327 Y N -1.846 118.487 120.300 0.056 0.000 2.462 327 Y HA 0.269 4.820 4.550 0.001 0.000 0.261 327 Y C 1.414 177.344 175.900 0.051 0.000 1.146 327 Y CA -0.601 57.529 58.100 0.050 0.000 1.283 327 Y CB -0.967 37.511 38.460 0.029 0.000 1.090 327 Y HN 0.224 nan 8.280 nan 0.000 0.526 328 D N 0.761 121.343 120.400 0.303 0.000 2.178 328 D HA -0.211 4.430 4.640 0.001 0.000 0.201 328 D C 2.313 178.786 176.300 0.288 0.000 0.980 328 D CA 1.969 56.066 54.000 0.161 0.000 0.842 328 D CB -0.021 40.941 40.800 0.270 0.000 0.948 328 D HN 0.343 nan 8.370 nan 0.000 0.472 329 S N 0.295 116.203 115.700 0.347 0.000 2.390 329 S HA -0.382 4.088 4.470 0.001 0.000 0.234 329 S C 1.936 176.639 174.600 0.172 0.000 1.063 329 S CA 1.733 60.105 58.200 0.285 0.000 1.108 329 S CB -0.543 62.748 63.200 0.151 0.000 0.975 329 S HN 0.353 nan 8.310 nan 0.000 0.442 330 E N -0.586 119.685 120.200 0.119 0.000 2.107 330 E HA -0.099 4.251 4.350 0.001 0.000 0.191 330 E C 1.933 178.509 176.600 -0.040 0.000 0.982 330 E CA 1.076 57.492 56.400 0.027 0.000 0.809 330 E CB -0.282 29.485 29.700 0.113 0.000 0.756 330 E HN 0.800 nan 8.360 nan 0.000 0.459 331 Y N 0.431 120.640 120.300 -0.151 0.000 2.097 331 Y HA -0.307 4.244 4.550 0.001 0.000 0.282 331 Y C 1.781 177.485 175.900 -0.327 0.000 1.152 331 Y CA 2.007 59.926 58.100 -0.302 0.000 1.136 331 Y CB -0.498 37.639 38.460 -0.538 0.000 0.975 331 Y HN -0.017 nan 8.280 nan 0.000 0.498 332 F N 0.316 120.348 119.950 0.137 0.000 2.075 332 F HA -0.159 4.369 4.527 0.001 0.000 0.297 332 F C 2.732 178.404 175.800 -0.213 0.000 1.113 332 F CA 1.455 59.448 58.000 -0.012 0.000 1.218 332 F CB -1.455 37.563 39.000 0.031 0.000 0.984 332 F HN 0.144 nan 8.300 nan 0.000 0.472 333 A N -0.048 122.728 122.820 -0.074 0.000 1.978 333 A HA -0.227 4.094 4.320 0.001 0.000 0.220 333 A C 2.166 179.452 177.584 -0.497 0.000 1.170 333 A CA 2.302 54.103 52.037 -0.393 0.000 0.636 333 A CB -1.550 17.021 19.000 -0.715 0.000 0.810 333 A HN 0.477 nan 8.150 nan 0.000 0.448 334 T N -2.782 111.535 114.554 -0.396 0.000 3.113 334 T HA 0.078 4.429 4.350 0.001 0.000 0.256 334 T C 1.300 175.862 174.700 -0.230 0.000 1.131 334 T CA 0.941 62.871 62.100 -0.282 0.000 1.074 334 T CB -0.215 68.541 68.868 -0.186 0.000 0.944 334 T HN 0.522 nan 8.240 nan 0.000 0.516 335 K N 1.436 121.678 120.400 -0.263 0.000 2.525 335 K HA 0.221 4.542 4.320 0.001 0.000 0.192 335 K C 0.463 176.966 176.600 -0.162 0.000 1.029 335 K CA 0.107 56.259 56.287 -0.225 0.000 1.029 335 K CB 0.022 32.384 32.500 -0.230 0.000 0.814 335 K HN 0.521 nan 8.250 nan 0.000 0.503 336 V N -2.249 117.576 119.914 -0.150 0.000 3.007 336 V HA 0.156 4.276 4.120 0.001 0.000 0.311 336 V C 0.339 176.421 176.094 -0.019 0.000 1.120 336 V CA -1.078 61.168 62.300 -0.090 0.000 0.980 336 V CB 1.944 33.676 31.823 -0.152 0.000 1.033 336 V HN 0.066 nan 8.190 nan 0.000 0.429 337 Q N 2.058 121.886 119.800 0.047 0.000 2.408 337 Q HA 0.267 4.608 4.340 0.001 0.000 0.205 337 Q C 0.454 176.519 176.000 0.108 0.000 0.919 337 Q CA 0.844 56.692 55.803 0.076 0.000 0.932 337 Q CB 0.050 28.833 28.738 0.075 0.000 1.058 337 Q HN 0.995 nan 8.270 nan 0.000 0.517 338 N N -0.916 117.857 118.700 0.120 0.000 3.449 338 N HA 0.108 4.849 4.740 0.001 0.000 0.312 338 N C -0.125 175.478 175.510 0.155 0.000 1.557 338 N CA -0.168 52.951 53.050 0.115 0.000 0.864 338 N CB 0.722 39.273 38.487 0.106 0.000 1.799 338 N HN -0.092 nan 8.380 nan 0.000 0.554 339 T N -3.109 111.477 114.554 0.054 0.000 3.105 339 T HA 0.195 4.545 4.350 0.001 0.000 0.253 339 T C 0.545 175.098 174.700 -0.245 0.000 1.047 339 T CA 0.237 62.340 62.100 0.006 0.000 0.944 339 T CB -0.751 68.066 68.868 -0.086 0.000 1.016 339 T HN 0.700 nan 8.240 nan 0.000 0.544 340 N N 0.924 119.474 118.700 -0.251 0.000 2.708 340 N HA -0.187 4.554 4.740 0.001 0.000 0.251 340 N C 1.061 176.463 175.510 -0.180 0.000 1.123 340 N CA 1.515 54.365 53.050 -0.333 0.000 0.739 340 N CB -1.493 36.476 38.487 -0.864 0.000 1.113 340 N HN 1.092 nan 8.380 nan 0.000 0.561 341 G N -3.355 105.382 108.800 -0.104 0.000 2.176 341 G HA2 -0.270 3.690 3.960 0.001 0.000 0.253 341 G HA3 -0.270 3.690 3.960 0.001 0.000 0.253 341 G C 0.131 175.018 174.900 -0.021 0.000 0.979 341 G CA 0.217 45.298 45.100 -0.032 0.000 0.641 341 G HN 0.616 nan 8.290 nan 0.000 0.530 342 V N -0.068 119.791 119.914 -0.093 0.000 2.953 342 V HA 0.680 4.801 4.120 0.001 0.000 0.304 342 V C 0.072 176.094 176.094 -0.119 0.000 1.073 342 V CA -0.189 62.109 62.300 -0.004 0.000 1.064 342 V CB 1.250 33.070 31.823 -0.004 0.000 1.047 342 V HN 0.252 nan 8.190 nan 0.000 0.478 343 Y N 0.745 121.142 120.300 0.163 0.000 2.433 343 Y HA 0.566 5.117 4.550 0.001 0.000 0.337 343 Y C -0.303 175.717 175.900 0.200 0.000 1.026 343 Y CA -0.718 57.520 58.100 0.230 0.000 1.037 343 Y CB 2.245 40.867 38.460 0.270 0.000 1.245 343 Y HN 0.326 nan 8.280 nan 0.000 0.443 344 V N 4.154 124.300 119.914 0.387 0.000 2.483 344 V HA 0.533 4.654 4.120 0.001 0.000 0.295 344 V C -0.723 175.544 176.094 0.287 0.000 1.035 344 V CA -0.861 61.584 62.300 0.241 0.000 0.896 344 V CB 1.763 33.717 31.823 0.217 0.000 0.986 344 V HN 0.500 nan 8.190 nan 0.000 0.447 345 V N 6.859 126.812 119.914 0.065 0.000 2.325 345 V HA 0.331 4.452 4.120 0.001 0.000 0.280 345 V C -2.056 173.971 176.094 -0.111 0.000 1.016 345 V CA -1.374 60.956 62.300 0.050 0.000 0.818 345 V CB 2.020 33.816 31.823 -0.045 0.000 1.019 345 V HN 0.814 nan 8.190 nan 0.000 0.434 346 P HA 0.176 nan 4.420 nan 0.000 0.228 346 P C 0.351 177.704 177.300 0.088 0.000 1.748 346 P CA -0.002 63.200 63.100 0.170 0.000 0.909 346 P CB 0.302 32.231 31.700 0.381 0.000 1.882 347 A N -0.159 122.524 122.820 -0.228 0.000 3.105 347 A HA 0.247 4.567 4.320 0.001 0.000 0.272 347 A C 0.924 178.383 177.584 -0.209 0.000 1.466 347 A CA -0.517 51.444 52.037 -0.126 0.000 1.101 347 A CB -1.434 17.491 19.000 -0.126 0.000 1.065 347 A HN 0.082 nan 8.150 nan 0.000 0.643 348 F N 0.453 120.316 119.950 -0.146 0.000 2.202 348 F HA -0.123 4.404 4.527 0.001 0.000 0.301 348 F C 2.123 177.844 175.800 -0.132 0.000 1.082 348 F CA 1.969 59.846 58.000 -0.206 0.000 1.313 348 F CB -0.098 38.720 39.000 -0.304 0.000 1.024 348 F HN 0.427 nan 8.300 nan 0.000 0.495 349 T N -2.087 112.541 114.554 0.125 0.000 3.448 349 T HA 0.632 4.983 4.350 0.001 0.000 0.271 349 T C 0.434 175.223 174.700 0.148 0.000 1.002 349 T CA -0.119 62.005 62.100 0.040 0.000 0.995 349 T CB -0.088 68.700 68.868 -0.133 0.000 1.153 349 T HN 0.537 nan 8.240 nan 0.000 0.510 350 G N 1.230 110.111 108.800 0.135 0.000 2.725 350 G HA2 -0.090 3.871 3.960 0.001 0.000 0.220 350 G HA3 -0.090 3.871 3.960 0.001 0.000 0.220 350 G C -0.151 174.860 174.900 0.185 0.000 1.357 350 G CA -0.292 44.906 45.100 0.163 0.000 0.866 350 G HN 0.290 nan 8.290 nan 0.000 0.548 351 L N 0.611 121.878 121.223 0.074 0.000 2.262 351 L HA 0.392 4.733 4.340 0.001 0.000 0.197 351 L C 3.050 179.574 176.870 -0.577 0.000 1.073 351 L CA 3.028 57.799 54.840 -0.116 0.000 0.800 351 L CB -1.440 40.597 42.059 -0.036 0.000 0.987 351 L HN 2.414 nan 8.230 nan 0.000 0.470 352 G N -0.248 108.205 108.800 -0.578 0.000 2.458 352 G HA2 -0.150 3.811 3.960 0.001 0.000 0.237 352 G HA3 -0.150 3.811 3.960 0.001 0.000 0.237 352 G C 0.443 173.981 174.900 -2.271 0.000 1.113 352 G CA 0.383 44.504 45.100 -1.633 0.000 0.655 352 G HN 1.193 nan 8.290 nan 0.000 0.513 353 A N -1.001 120.941 122.820 -1.463 0.000 2.538 353 A HA 0.611 4.931 4.320 0.001 0.000 0.306 353 A C -2.597 174.499 177.584 -0.813 0.000 0.999 353 A CA 0.381 51.612 52.037 -1.343 0.000 0.829 353 A CB 0.483 18.884 19.000 -0.998 0.000 1.143 353 A HN 0.471 nan 8.150 nan 0.000 0.378 354 P HA 0.159 nan 4.420 nan 0.000 0.253 354 P C 0.240 177.207 177.300 -0.555 0.000 1.508 354 P CA 0.601 63.363 63.100 -0.562 0.000 0.883 354 P CB -0.503 31.015 31.700 -0.302 0.000 1.519 355 Y N -2.017 118.068 120.300 -0.358 0.000 2.347 355 Y HA 0.105 4.655 4.550 0.001 0.000 0.294 355 Y C 0.693 176.591 175.900 -0.003 0.000 1.117 355 Y CA -0.139 57.876 58.100 -0.142 0.000 1.184 355 Y CB -1.055 37.316 38.460 -0.150 0.000 1.047 355 Y HN -0.090 nan 8.280 nan 0.000 0.546 356 W N 1.687 123.044 121.300 0.097 0.000 6.010 356 W HA -0.202 4.459 4.660 0.001 0.000 0.428 356 W C -0.677 175.907 176.519 0.109 0.000 1.718 356 W CA 0.383 57.782 57.345 0.090 0.000 1.002 356 W CB -1.218 28.309 29.460 0.112 0.000 2.937 356 W HN 0.088 nan 8.180 nan 0.000 1.351 357 D N 1.020 121.536 120.400 0.194 0.000 2.375 357 D HA 0.274 4.915 4.640 0.001 0.000 0.259 357 D C -1.157 175.195 176.300 0.086 0.000 1.235 357 D CA -2.251 51.841 54.000 0.154 0.000 0.924 357 D CB 1.261 42.144 40.800 0.139 0.000 1.143 357 D HN -0.103 nan 8.370 nan 0.000 0.529 358 P HA -0.033 nan 4.420 nan 0.000 0.242 358 P C 0.232 177.343 177.300 -0.315 0.000 1.197 358 P CA 0.394 63.395 63.100 -0.164 0.000 0.765 358 P CB -0.016 31.474 31.700 -0.350 0.000 0.936 359 Y N -0.471 119.875 120.300 0.077 0.000 2.430 359 Y HA 0.434 4.985 4.550 0.001 0.000 0.248 359 Y C 1.519 177.493 175.900 0.125 0.000 1.108 359 Y CA -0.793 57.357 58.100 0.084 0.000 1.264 359 Y CB -0.427 38.069 38.460 0.059 0.000 1.172 359 Y HN -0.121 nan 8.280 nan 0.000 0.520 360 A N 1.677 124.619 122.820 0.203 0.000 2.440 360 A HA 0.518 4.838 4.320 0.001 0.000 0.251 360 A C 0.265 177.883 177.584 0.056 0.000 1.089 360 A CA -0.348 51.763 52.037 0.122 0.000 0.779 360 A CB 0.276 19.294 19.000 0.031 0.000 1.022 360 A HN 0.097 nan 8.150 nan 0.000 0.492 361 R N 1.350 121.843 120.500 -0.012 0.000 2.832 361 R HA 0.534 4.875 4.340 0.001 0.000 0.271 361 R C 0.593 176.636 176.300 -0.429 0.000 0.996 361 R CA -0.180 55.804 56.100 -0.194 0.000 0.977 361 R CB 1.516 31.727 30.300 -0.148 0.000 1.168 361 R HN 0.860 nan 8.270 nan 0.000 0.482 362 G N -0.137 108.249 108.800 -0.690 0.000 2.636 362 G HA2 0.463 4.423 3.960 0.001 0.000 0.246 362 G HA3 0.463 4.423 3.960 0.001 0.000 0.246 362 G C -0.815 173.640 174.900 -0.741 0.000 1.216 362 G CA 0.145 44.697 45.100 -0.913 0.000 0.854 362 G HN 0.647 nan 8.290 nan 0.000 0.572 363 A N 0.045 122.483 122.820 -0.637 0.000 2.597 363 A HA 0.586 4.907 4.320 0.001 0.000 0.292 363 A C -1.022 176.189 177.584 -0.622 0.000 1.057 363 A CA -0.665 50.963 52.037 -0.682 0.000 0.674 363 A CB 1.140 19.601 19.000 -0.898 0.000 1.278 363 A HN 0.715 nan 8.150 nan 0.000 0.416 364 I N 0.500 120.669 120.570 -0.667 0.000 2.441 364 I HA 0.708 4.878 4.170 0.001 0.000 0.295 364 I C -1.265 174.471 176.117 -0.636 0.000 0.994 364 I CA -0.310 60.715 61.300 -0.459 0.000 1.144 364 I CB 0.921 38.828 38.000 -0.156 0.000 1.314 364 I HN 0.499 nan 8.210 nan 0.000 0.445 365 F N 1.422 121.388 119.950 0.027 0.000 2.576 365 F HA 0.653 5.180 4.527 0.001 0.000 0.313 365 F C 0.883 176.731 175.800 0.079 0.000 1.078 365 F CA -0.735 57.283 58.000 0.029 0.000 0.921 365 F CB 2.040 41.047 39.000 0.011 0.000 1.232 365 F HN 0.734 nan 8.300 nan 0.000 0.459 366 G N 1.566 110.524 108.800 0.263 0.000 2.131 366 G HA2 -0.221 3.740 3.960 0.001 0.000 0.223 366 G HA3 -0.221 3.740 3.960 0.001 0.000 0.223 366 G C -0.273 174.678 174.900 0.085 0.000 0.990 366 G CA -0.613 44.585 45.100 0.164 0.000 0.671 366 G HN 0.575 nan 8.290 nan 0.000 0.521 367 L N 1.737 123.003 121.223 0.072 0.000 2.513 367 L HA 0.415 4.756 4.340 0.001 0.000 0.272 367 L C 1.133 178.018 176.870 0.025 0.000 1.187 367 L CA 1.282 56.144 54.840 0.035 0.000 0.895 367 L CB 0.391 42.464 42.059 0.023 0.000 1.147 367 L HN 0.508 nan 8.230 nan 0.000 0.483 368 T N -0.338 114.223 114.554 0.012 0.000 2.909 368 T HA 0.333 4.683 4.350 0.001 0.000 0.299 368 T C 0.901 175.608 174.700 0.012 0.000 1.073 368 T CA -0.998 61.108 62.100 0.010 0.000 0.999 368 T CB 1.950 70.820 68.868 0.003 0.000 1.098 368 T HN 0.507 nan 8.240 nan 0.000 0.477 369 R N 1.043 121.552 120.500 0.015 0.000 2.198 369 R HA -0.136 4.204 4.340 0.001 0.000 0.258 369 R C 1.999 178.315 176.300 0.025 0.000 1.173 369 R CA 2.046 58.156 56.100 0.018 0.000 0.991 369 R CB -0.706 29.604 30.300 0.016 0.000 0.879 369 R HN 0.891 nan 8.270 nan 0.000 0.460 370 G N -0.249 108.567 108.800 0.026 0.000 3.284 370 G HA2 0.146 4.107 3.960 0.001 0.000 0.236 370 G HA3 0.146 4.107 3.960 0.001 0.000 0.236 370 G C 0.145 175.092 174.900 0.079 0.000 1.158 370 G CA -0.310 44.818 45.100 0.045 0.000 0.774 370 G HN -0.020 nan 8.290 nan 0.000 0.545 371 V N 2.228 122.178 119.914 0.060 0.000 2.530 371 V HA 0.244 4.365 4.120 0.001 0.000 0.282 371 V C 0.112 176.325 176.094 0.197 0.000 1.048 371 V CA -0.718 61.652 62.300 0.116 0.000 0.997 371 V CB 0.693 32.528 31.823 0.020 0.000 0.987 371 V HN 0.601 nan 8.190 nan 0.000 0.477 372 N N 4.369 123.285 118.700 0.360 0.000 2.619 372 N HA 0.604 5.345 4.740 0.001 0.000 0.294 372 N C 0.818 176.345 175.510 0.029 0.000 1.279 372 N CA -0.238 52.872 53.050 0.100 0.000 0.867 372 N CB 1.293 39.777 38.487 -0.004 0.000 1.329 372 N HN 0.441 nan 8.380 nan 0.000 0.557 373 A N 0.466 123.257 122.820 -0.049 0.000 1.903 373 A HA -0.293 4.028 4.320 0.001 0.000 0.219 373 A C 1.704 179.223 177.584 -0.109 0.000 1.191 373 A CA 2.000 53.979 52.037 -0.097 0.000 0.638 373 A CB -1.291 17.608 19.000 -0.167 0.000 0.823 373 A HN 0.760 nan 8.150 nan 0.000 0.451 374 N N -0.310 118.305 118.700 -0.141 0.000 2.037 374 N HA -0.217 4.523 4.740 0.001 0.000 0.196 374 N C 1.476 176.921 175.510 -0.108 0.000 1.034 374 N CA 2.133 55.097 53.050 -0.142 0.000 0.861 374 N CB -0.940 37.405 38.487 -0.238 0.000 1.039 374 N HN 0.810 nan 8.380 nan 0.000 0.427 375 H N -0.550 118.493 119.070 -0.046 0.000 2.387 375 H HA -0.047 4.509 4.556 0.001 0.000 0.299 375 H C 1.567 176.871 175.328 -0.039 0.000 1.099 375 H CA 0.869 56.889 56.048 -0.045 0.000 1.315 375 H CB 0.104 29.849 29.762 -0.027 0.000 1.380 375 H HN 0.102 nan 8.280 nan 0.000 0.513 376 I N 0.461 121.091 120.570 0.101 0.000 2.202 376 I HA -0.198 3.972 4.170 0.001 0.000 0.242 376 I C 2.263 178.407 176.117 0.045 0.000 1.091 376 I CA 1.007 62.346 61.300 0.066 0.000 1.368 376 I CB -0.840 37.185 38.000 0.041 0.000 1.058 376 I HN 0.293 nan 8.210 nan 0.000 0.410 377 I N 0.191 120.755 120.570 -0.009 0.000 2.076 377 I HA -0.371 3.800 4.170 0.001 0.000 0.237 377 I C 2.762 178.872 176.117 -0.012 0.000 1.059 377 I CA 1.696 62.986 61.300 -0.017 0.000 1.317 377 I CB -0.546 37.418 38.000 -0.060 0.000 1.037 377 I HN 0.188 nan 8.210 nan 0.000 0.398 378 R N 1.339 121.795 120.500 -0.073 0.000 2.113 378 R HA -0.261 4.079 4.340 0.001 0.000 0.244 378 R C 2.307 178.577 176.300 -0.049 0.000 1.142 378 R CA 2.106 58.121 56.100 -0.140 0.000 0.953 378 R CB -0.420 29.762 30.300 -0.197 0.000 0.860 378 R HN 0.421 nan 8.270 nan 0.000 0.438 379 A N -0.200 122.618 122.820 -0.003 0.000 1.908 379 A HA -0.158 4.163 4.320 0.001 0.000 0.218 379 A C 2.257 179.900 177.584 0.097 0.000 1.181 379 A CA 2.086 54.140 52.037 0.029 0.000 0.627 379 A CB -1.010 18.028 19.000 0.063 0.000 0.818 379 A HN 0.518 nan 8.150 nan 0.000 0.445 380 T N 0.375 114.996 114.554 0.112 0.000 2.746 380 T HA -0.097 4.254 4.350 0.001 0.000 0.267 380 T C 1.798 176.574 174.700 0.127 0.000 1.039 380 T CA 1.445 63.639 62.100 0.158 0.000 1.142 380 T CB -0.377 68.600 68.868 0.182 0.000 0.866 380 T HN 0.382 nan 8.240 nan 0.000 0.444 381 L N 0.669 121.946 121.223 0.090 0.000 1.994 381 L HA -0.108 4.232 4.340 0.001 0.000 0.208 381 L C 2.769 179.655 176.870 0.026 0.000 1.071 381 L CA 1.578 56.478 54.840 0.101 0.000 0.745 381 L CB -0.658 41.533 42.059 0.219 0.000 0.892 381 L HN 0.324 nan 8.230 nan 0.000 0.431 382 E N 0.039 120.190 120.200 -0.081 0.000 2.171 382 E HA -0.262 4.089 4.350 0.001 0.000 0.197 382 E C 2.261 178.751 176.600 -0.182 0.000 0.997 382 E CA 1.665 57.856 56.400 -0.348 0.000 0.810 382 E CB -0.124 29.294 29.700 -0.470 0.000 0.738 382 E HN 0.543 nan 8.360 nan 0.000 0.467 383 S N 0.837 116.589 115.700 0.086 0.000 2.400 383 S HA -0.181 4.290 4.470 0.001 0.000 0.232 383 S C 2.010 176.619 174.600 0.016 0.000 1.025 383 S CA 0.832 59.136 58.200 0.174 0.000 0.993 383 S CB -0.474 62.917 63.200 0.320 0.000 0.808 383 S HN 0.210 nan 8.310 nan 0.000 0.478 384 I N 2.381 122.974 120.570 0.040 0.000 2.099 384 I HA -0.201 3.970 4.170 0.001 0.000 0.239 384 I C 3.174 179.295 176.117 0.007 0.000 1.066 384 I CA 1.282 62.619 61.300 0.061 0.000 1.324 384 I CB -0.978 37.100 38.000 0.129 0.000 1.037 384 I HN 0.461 nan 8.210 nan 0.000 0.401 385 A N 0.513 123.309 122.820 -0.040 0.000 1.884 385 A HA -0.288 4.033 4.320 0.001 0.000 0.219 385 A C 2.195 179.664 177.584 -0.192 0.000 1.197 385 A CA 2.048 54.020 52.037 -0.108 0.000 0.637 385 A CB -1.283 17.657 19.000 -0.099 0.000 0.827 385 A HN 0.430 nan 8.150 nan 0.000 0.450 386 Y N -0.056 120.104 120.300 -0.233 0.000 2.165 386 Y HA -0.251 4.300 4.550 0.001 0.000 0.286 386 Y C 2.745 178.359 175.900 -0.477 0.000 1.155 386 Y CA 1.634 59.406 58.100 -0.547 0.000 1.164 386 Y CB -0.912 36.742 38.460 -1.342 0.000 0.978 386 Y HN 0.459 nan 8.280 nan 0.000 0.513 387 Q N -1.034 118.637 119.800 -0.215 0.000 2.124 387 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 387 Q C 2.222 178.209 176.000 -0.021 0.000 0.977 387 Q CA 2.042 57.853 55.803 0.014 0.000 0.850 387 Q CB -0.348 28.412 28.738 0.037 0.000 0.901 387 Q HN 0.412 nan 8.270 nan 0.000 0.429 388 T N 0.357 114.867 114.554 -0.074 0.000 2.708 388 T HA -0.181 4.170 4.350 0.001 0.000 0.266 388 T C 1.705 176.350 174.700 -0.092 0.000 1.037 388 T CA 1.515 63.556 62.100 -0.099 0.000 1.146 388 T CB -0.175 68.642 68.868 -0.084 0.000 0.865 388 T HN 0.265 nan 8.240 nan 0.000 0.435 389 R N 1.015 121.443 120.500 -0.120 0.000 2.096 389 R HA -0.126 4.215 4.340 0.001 0.000 0.235 389 R C 1.926 178.170 176.300 -0.094 0.000 1.127 389 R CA 1.794 57.778 56.100 -0.194 0.000 0.968 389 R CB -0.397 29.647 30.300 -0.427 0.000 0.861 389 R HN 0.203 nan 8.270 nan 0.000 0.440 390 D N -0.255 120.186 120.400 0.069 0.000 2.106 390 D HA -0.172 4.468 4.640 0.001 0.000 0.191 390 D C 1.901 178.219 176.300 0.030 0.000 0.997 390 D CA 2.061 56.184 54.000 0.205 0.000 0.834 390 D CB -0.107 40.866 40.800 0.288 0.000 0.956 390 D HN 0.280 nan 8.370 nan 0.000 0.448 391 V N -0.626 119.266 119.914 -0.037 0.000 2.488 391 V HA -0.030 4.090 4.120 0.001 0.000 0.246 391 V C 2.381 178.452 176.094 -0.038 0.000 1.046 391 V CA 0.920 63.183 62.300 -0.062 0.000 1.053 391 V CB -0.922 30.847 31.823 -0.090 0.000 0.679 391 V HN 0.176 nan 8.190 nan 0.000 0.458 392 L N 0.793 121.987 121.223 -0.049 0.000 2.189 392 L HA -0.178 4.162 4.340 0.001 0.000 0.214 392 L C 2.582 179.433 176.870 -0.032 0.000 1.097 392 L CA 2.313 57.125 54.840 -0.046 0.000 0.764 392 L CB -0.405 41.611 42.059 -0.070 0.000 0.900 392 L HN 0.479 nan 8.230 nan 0.000 0.436 393 E N -0.394 119.794 120.200 -0.020 0.000 2.102 393 E HA -0.055 4.296 4.350 0.001 0.000 0.190 393 E C 2.254 178.862 176.600 0.013 0.000 0.971 393 E CA 0.800 57.201 56.400 0.002 0.000 0.821 393 E CB -0.247 29.471 29.700 0.030 0.000 0.777 393 E HN 0.629 nan 8.360 nan 0.000 0.460 394 A N 1.800 124.626 122.820 0.010 0.000 1.917 394 A HA -0.248 4.073 4.320 0.001 0.000 0.219 394 A C 2.215 179.811 177.584 0.020 0.000 1.182 394 A CA 1.699 53.746 52.037 0.016 0.000 0.633 394 A CB -0.550 18.454 19.000 0.008 0.000 0.819 394 A HN 0.172 nan 8.150 nan 0.000 0.448 395 M N -0.637 118.970 119.600 0.011 0.000 2.126 395 M HA -0.260 4.221 4.480 0.001 0.000 0.259 395 M C 2.448 178.753 176.300 0.007 0.000 1.073 395 M CA 2.226 57.533 55.300 0.012 0.000 1.103 395 M CB -0.371 32.233 32.600 0.006 0.000 1.284 395 M HN 0.533 nan 8.290 nan 0.000 0.420 396 Q N -0.425 119.373 119.800 -0.003 0.000 2.248 396 Q HA -0.206 4.135 4.340 0.001 0.000 0.208 396 Q C 1.968 177.969 176.000 0.001 0.000 0.984 396 Q CA 1.553 57.351 55.803 -0.008 0.000 0.875 396 Q CB -0.519 28.210 28.738 -0.015 0.000 0.910 396 Q HN 0.673 nan 8.270 nan 0.000 0.433 397 A N 1.330 124.156 122.820 0.010 0.000 1.929 397 A HA -0.172 4.149 4.320 0.001 0.000 0.216 397 A C 1.627 179.220 177.584 0.016 0.000 1.176 397 A CA 1.468 53.515 52.037 0.016 0.000 0.628 397 A CB -0.121 18.893 19.000 0.024 0.000 0.816 397 A HN 0.179 nan 8.150 nan 0.000 0.444 398 D N -0.373 120.038 120.400 0.018 0.000 2.194 398 D HA -0.058 4.582 4.640 0.001 0.000 0.204 398 D C 2.286 178.593 176.300 0.011 0.000 0.964 398 D CA 1.616 55.627 54.000 0.019 0.000 0.846 398 D CB 0.029 40.846 40.800 0.027 0.000 0.962 398 D HN 0.577 nan 8.370 nan 0.000 0.490 399 S N -1.416 114.288 115.700 0.007 0.000 2.497 399 S HA 0.278 4.748 4.470 0.001 0.000 0.221 399 S C 1.799 176.396 174.600 -0.005 0.000 1.037 399 S CA 0.660 58.861 58.200 0.002 0.000 0.920 399 S CB 0.848 64.048 63.200 0.000 0.000 0.800 399 S HN 0.217 nan 8.310 nan 0.000 0.505 400 G N 1.073 109.868 108.800 -0.007 0.000 2.136 400 G HA2 -0.202 3.759 3.960 0.001 0.000 0.242 400 G HA3 -0.202 3.759 3.960 0.001 0.000 0.242 400 G C -0.217 174.667 174.900 -0.026 0.000 0.989 400 G CA 0.360 45.453 45.100 -0.012 0.000 0.682 400 G HN 0.613 nan 8.290 nan 0.000 0.522 401 I N -0.676 119.872 120.570 -0.036 0.000 2.545 401 I HA 0.653 4.824 4.170 0.001 0.000 0.292 401 I C 0.056 176.124 176.117 -0.081 0.000 1.040 401 I CA -1.376 59.884 61.300 -0.067 0.000 1.068 401 I CB 2.149 40.108 38.000 -0.069 0.000 1.251 401 I HN 0.105 nan 8.210 nan 0.000 0.424 402 R N 5.969 126.391 120.500 -0.129 0.000 2.239 402 R HA 0.534 4.875 4.340 0.001 0.000 0.332 402 R C -1.134 175.043 176.300 -0.206 0.000 0.988 402 R CA -0.523 55.504 56.100 -0.123 0.000 0.859 402 R CB 0.430 30.683 30.300 -0.077 0.000 1.148 402 R HN 0.450 nan 8.270 nan 0.000 0.482 403 L N 4.191 125.343 121.223 -0.118 0.000 2.581 403 L HA -0.068 4.273 4.340 0.001 0.000 0.299 403 L C 1.385 178.233 176.870 -0.036 0.000 1.261 403 L CA 0.892 55.676 54.840 -0.094 0.000 0.866 403 L CB -0.095 41.951 42.059 -0.023 0.000 1.113 403 L HN 0.738 nan 8.230 nan 0.000 0.514 404 H N 1.677 120.746 119.070 -0.001 0.000 2.415 404 H HA 0.372 4.929 4.556 0.001 0.000 0.297 404 H C 0.405 175.733 175.328 -0.000 0.000 1.048 404 H CA 0.849 56.896 56.048 -0.002 0.000 1.365 404 H CB 0.516 30.278 29.762 -0.000 0.000 1.421 404 H HN 0.636 nan 8.280 nan 0.000 0.533 405 A N 0.282 123.180 122.820 0.131 0.000 2.539 405 A HA 0.488 4.809 4.320 0.001 0.000 0.296 405 A C -1.292 176.326 177.584 0.057 0.000 1.073 405 A CA -0.622 51.462 52.037 0.079 0.000 0.700 405 A CB 1.588 20.630 19.000 0.070 0.000 1.296 405 A HN 0.164 nan 8.150 nan 0.000 0.405 406 L N 1.640 122.893 121.223 0.049 0.000 2.296 406 L HA 0.638 4.979 4.340 0.001 0.000 0.286 406 L C -0.110 176.796 176.870 0.059 0.000 1.023 406 L CA -0.687 54.178 54.840 0.042 0.000 0.812 406 L CB 1.348 43.425 42.059 0.030 0.000 1.223 406 L HN 0.951 nan 8.230 nan 0.000 0.421 407 R N 4.585 125.119 120.500 0.057 0.000 2.254 407 R HA 0.545 4.885 4.340 0.001 0.000 0.318 407 R C -1.024 175.329 176.300 0.088 0.000 1.031 407 R CA -0.361 55.780 56.100 0.069 0.000 0.905 407 R CB 0.962 31.295 30.300 0.055 0.000 1.050 407 R HN 0.458 nan 8.270 nan 0.000 0.456 408 V N 0.476 120.460 119.914 0.117 0.000 3.204 408 V HA 0.862 4.983 4.120 0.001 0.000 0.316 408 V C -0.837 175.350 176.094 0.156 0.000 1.160 408 V CA -0.413 61.991 62.300 0.173 0.000 1.044 408 V CB 2.035 34.028 31.823 0.284 0.000 1.136 408 V HN 1.033 nan 8.190 nan 0.000 0.455 409 D N -1.963 118.564 120.400 0.212 0.000 2.710 409 D HA 0.728 5.369 4.640 0.001 0.000 0.276 409 D C -0.298 176.141 176.300 0.231 0.000 1.267 409 D CA 0.142 54.243 54.000 0.170 0.000 0.772 409 D CB 1.142 42.010 40.800 0.114 0.000 1.299 409 D HN 1.910 nan 8.370 nan 0.000 0.421 410 G N -1.699 107.199 108.800 0.164 0.000 2.354 410 G HA2 0.414 4.375 3.960 0.001 0.000 0.582 410 G HA3 0.414 4.375 3.960 0.001 0.000 0.582 410 G C 0.592 175.566 174.900 0.123 0.000 1.316 410 G CA -0.035 45.167 45.100 0.170 0.000 0.995 410 G HN 1.194 nan 8.290 nan 0.000 0.573 411 G N -0.193 108.677 108.800 0.117 0.000 2.404 411 G HA2 0.303 4.263 3.960 0.001 0.000 0.215 411 G HA3 0.303 4.263 3.960 0.001 0.000 0.215 411 G C 2.061 176.991 174.900 0.051 0.000 1.174 411 G CA 2.479 47.626 45.100 0.078 0.000 0.780 411 G HN 1.948 nan 8.290 nan 0.000 0.537 412 A N 0.634 123.485 122.820 0.051 0.000 2.172 412 A HA 0.161 4.481 4.320 0.001 0.000 0.216 412 A C 2.571 180.085 177.584 -0.118 0.000 1.154 412 A CA 1.678 53.703 52.037 -0.019 0.000 0.701 412 A CB -0.579 18.410 19.000 -0.017 0.000 0.789 412 A HN 0.948 nan 8.150 nan 0.000 0.465 413 V N -2.309 117.539 119.914 -0.110 0.000 2.568 413 V HA -0.189 3.931 4.120 0.001 0.000 0.253 413 V C 2.352 178.392 176.094 -0.091 0.000 1.072 413 V CA 1.939 64.131 62.300 -0.180 0.000 1.084 413 V CB -1.526 30.233 31.823 -0.107 0.000 0.676 413 V HN 0.521 nan 8.190 nan 0.000 0.469 414 A N 1.072 123.890 122.820 -0.004 0.000 1.927 414 A HA -0.298 4.022 4.320 0.001 0.000 0.220 414 A C 1.606 179.224 177.584 0.057 0.000 1.185 414 A CA 1.916 53.987 52.037 0.056 0.000 0.639 414 A CB -1.361 17.700 19.000 0.100 0.000 0.820 414 A HN 0.774 nan 8.150 nan 0.000 0.451 415 N N 0.920 119.635 118.700 0.025 0.000 2.411 415 N HA -0.042 4.698 4.740 0.001 0.000 0.282 415 N C 0.669 176.183 175.510 0.006 0.000 1.322 415 N CA 0.082 53.162 53.050 0.050 0.000 0.943 415 N CB 0.016 38.529 38.487 0.044 0.000 1.266 415 N HN 0.384 nan 8.380 nan 0.000 0.486 416 N N 2.567 121.322 118.700 0.093 0.000 2.453 416 N HA -0.161 4.580 4.740 0.001 0.000 0.183 416 N C 1.094 176.641 175.510 0.061 0.000 1.041 416 N CA 0.566 53.685 53.050 0.114 0.000 0.900 416 N CB -0.056 38.587 38.487 0.261 0.000 0.961 416 N HN 0.588 nan 8.380 nan 0.000 0.443 417 F N 2.077 122.022 119.950 -0.009 0.000 2.084 417 F HA -0.044 4.483 4.527 0.001 0.000 0.296 417 F C 2.219 177.996 175.800 -0.038 0.000 1.111 417 F CA 0.824 58.822 58.000 -0.005 0.000 1.224 417 F CB -0.553 38.441 39.000 -0.011 0.000 0.991 417 F HN -0.110 nan 8.300 nan 0.000 0.471 418 L N -0.039 121.061 121.223 -0.205 0.000 2.013 418 L HA -0.275 4.066 4.340 0.001 0.000 0.212 418 L C 2.394 179.017 176.870 -0.412 0.000 1.073 418 L CA 1.748 56.413 54.840 -0.291 0.000 0.753 418 L CB -0.529 41.414 42.059 -0.193 0.000 0.890 418 L HN 0.271 nan 8.230 nan 0.000 0.432 419 M N -0.925 118.363 119.600 -0.520 0.000 2.086 419 M HA -0.244 4.237 4.480 0.001 0.000 0.261 419 M C 2.140 178.016 176.300 -0.707 0.000 1.067 419 M CA 1.687 56.504 55.300 -0.804 0.000 1.116 419 M CB -1.291 30.468 32.600 -1.402 0.000 1.348 419 M HN 0.275 nan 8.290 nan 0.000 0.407 420 Q N -0.047 119.443 119.800 -0.518 0.000 2.046 420 Q HA -0.150 4.191 4.340 0.001 0.000 0.200 420 Q C 1.963 177.814 176.000 -0.248 0.000 0.975 420 Q CA 1.708 57.386 55.803 -0.208 0.000 0.836 420 Q CB -0.669 28.070 28.738 0.002 0.000 0.896 420 Q HN 0.380 nan 8.270 nan 0.000 0.428 421 F N 0.897 120.520 119.950 -0.546 0.000 2.126 421 F HA -0.231 4.297 4.527 0.001 0.000 0.299 421 F C 2.281 177.853 175.800 -0.380 0.000 1.096 421 F CA 2.063 59.743 58.000 -0.533 0.000 1.255 421 F CB -0.556 37.961 39.000 -0.804 0.000 0.997 421 F HN 0.247 nan 8.300 nan 0.000 0.479 422 Q N 0.353 119.962 119.800 -0.318 0.000 2.112 422 Q HA -0.247 4.093 4.340 0.001 0.000 0.206 422 Q C 2.476 178.288 176.000 -0.313 0.000 0.987 422 Q CA 2.595 58.217 55.803 -0.301 0.000 0.858 422 Q CB -0.729 27.882 28.738 -0.211 0.000 0.905 422 Q HN 0.467 nan 8.270 nan 0.000 0.420 423 S N -0.583 114.955 115.700 -0.269 0.000 2.368 423 S HA -0.164 4.307 4.470 0.001 0.000 0.224 423 S C 1.457 175.928 174.600 -0.216 0.000 1.029 423 S CA 1.353 59.447 58.200 -0.177 0.000 0.988 423 S CB -0.523 62.634 63.200 -0.072 0.000 0.838 423 S HN 0.475 nan 8.310 nan 0.000 0.462 424 D N 1.225 121.445 120.400 -0.301 0.000 2.092 424 D HA -0.069 4.572 4.640 0.001 0.000 0.193 424 D C 1.845 177.913 176.300 -0.386 0.000 0.994 424 D CA 1.255 55.062 54.000 -0.323 0.000 0.828 424 D CB -0.551 39.997 40.800 -0.420 0.000 0.963 424 D HN 0.427 nan 8.370 nan 0.000 0.450 425 I N 0.176 120.368 120.570 -0.630 0.000 2.286 425 I HA -0.206 3.965 4.170 0.001 0.000 0.248 425 I C 1.858 177.786 176.117 -0.316 0.000 1.115 425 I CA 0.753 61.741 61.300 -0.521 0.000 1.392 425 I CB 0.107 37.675 38.000 -0.721 0.000 1.065 425 I HN -0.017 nan 8.210 nan 0.000 0.418 426 L N -0.155 120.903 121.223 -0.274 0.000 2.270 426 L HA 0.243 4.584 4.340 0.001 0.000 0.210 426 L C 1.854 178.645 176.870 -0.132 0.000 1.104 426 L CA 1.296 56.019 54.840 -0.195 0.000 0.804 426 L CB -1.808 40.162 42.059 -0.150 0.000 0.937 426 L HN 0.429 nan 8.230 nan 0.000 0.450 427 G N -0.272 108.453 108.800 -0.126 0.000 2.137 427 G HA2 -0.247 3.714 3.960 0.001 0.000 0.237 427 G HA3 -0.247 3.714 3.960 0.001 0.000 0.237 427 G C 0.404 175.277 174.900 -0.044 0.000 1.002 427 G CA 0.512 45.567 45.100 -0.075 0.000 0.702 427 G HN 0.353 nan 8.290 nan 0.000 0.515 428 T N -0.797 113.727 114.554 -0.050 0.000 2.926 428 T HA 0.691 5.042 4.350 0.001 0.000 0.289 428 T C 0.303 175.001 174.700 -0.002 0.000 1.054 428 T CA -0.717 61.376 62.100 -0.011 0.000 1.015 428 T CB 1.572 70.438 68.868 -0.002 0.000 1.167 428 T HN 0.345 nan 8.240 nan 0.000 0.526 429 R N 0.615 121.131 120.500 0.026 0.000 2.410 429 R HA 0.622 4.963 4.340 0.001 0.000 0.288 429 R C -1.038 175.300 176.300 0.063 0.000 1.051 429 R CA -0.222 55.907 56.100 0.048 0.000 1.021 429 R CB 0.653 30.979 30.300 0.043 0.000 1.032 429 R HN 0.323 nan 8.270 nan 0.000 0.481 430 V N 3.343 123.322 119.914 0.110 0.000 2.540 430 V HA 0.349 4.469 4.120 0.001 0.000 0.302 430 V C -0.621 175.591 176.094 0.195 0.000 1.035 430 V CA -0.782 61.585 62.300 0.113 0.000 0.873 430 V CB 1.755 33.590 31.823 0.019 0.000 0.992 430 V HN 0.845 nan 8.190 nan 0.000 0.428 431 E N 4.048 124.334 120.200 0.144 0.000 2.199 431 E HA 0.683 5.034 4.350 0.001 0.000 0.265 431 E C -0.804 175.885 176.600 0.147 0.000 0.882 431 E CA -1.026 55.464 56.400 0.149 0.000 0.759 431 E CB 2.608 32.363 29.700 0.092 0.000 1.148 431 E HN 0.562 nan 8.360 nan 0.000 0.412 432 R N 3.665 124.277 120.500 0.186 0.000 2.338 432 R HA 0.418 4.759 4.340 0.001 0.000 0.317 432 R C -2.492 173.874 176.300 0.111 0.000 0.968 432 R CA -1.822 54.378 56.100 0.166 0.000 0.849 432 R CB 1.216 31.672 30.300 0.261 0.000 1.128 432 R HN 0.378 nan 8.270 nan 0.000 0.448 433 P HA 0.171 nan 4.420 nan 0.000 0.302 433 P C -0.453 176.885 177.300 0.064 0.000 1.307 433 P CA -0.265 62.875 63.100 0.066 0.000 0.754 433 P CB 0.754 32.490 31.700 0.060 0.000 1.298 434 E N -1.360 118.871 120.200 0.053 0.000 2.307 434 E HA 0.105 4.456 4.350 0.001 0.000 0.195 434 E C -0.305 176.326 176.600 0.051 0.000 0.975 434 E CA 0.336 56.765 56.400 0.050 0.000 0.878 434 E CB 0.399 30.124 29.700 0.042 0.000 0.845 434 E HN 0.029 nan 8.360 nan 0.000 0.488 435 V N 3.321 123.265 119.914 0.049 0.000 2.334 435 V HA 0.163 4.283 4.120 0.001 0.000 0.281 435 V C 0.546 176.669 176.094 0.047 0.000 1.016 435 V CA -0.447 61.880 62.300 0.046 0.000 0.832 435 V CB 1.289 33.136 31.823 0.040 0.000 0.999 435 V HN 0.215 nan 8.190 nan 0.000 0.439 436 R N 3.790 124.321 120.500 0.053 0.000 2.359 436 R HA 0.161 4.501 4.340 0.001 0.000 0.231 436 R C 0.303 176.635 176.300 0.054 0.000 0.913 436 R CA 0.037 56.173 56.100 0.061 0.000 1.075 436 R CB 0.116 30.459 30.300 0.072 0.000 1.087 436 R HN 0.764 nan 8.270 nan 0.000 0.515 437 E N 2.061 122.283 120.200 0.037 0.000 2.368 437 E HA 0.023 4.374 4.350 0.001 0.000 0.188 437 E C 1.504 178.102 176.600 -0.003 0.000 1.061 437 E CA 0.273 56.688 56.400 0.025 0.000 0.933 437 E CB 0.057 29.770 29.700 0.021 0.000 1.091 437 E HN 0.143 nan 8.360 nan 0.000 0.458 438 V N -1.418 118.494 119.914 -0.003 0.000 2.418 438 V HA -0.358 3.763 4.120 0.001 0.000 0.258 438 V C 2.163 178.228 176.094 -0.049 0.000 1.088 438 V CA 2.337 64.616 62.300 -0.036 0.000 1.091 438 V CB -1.599 30.227 31.823 0.005 0.000 0.669 438 V HN 0.187 nan 8.190 nan 0.000 0.461 439 T N 0.582 115.128 114.554 -0.013 0.000 2.652 439 T HA -0.097 4.254 4.350 0.001 0.000 0.267 439 T C 2.083 176.762 174.700 -0.035 0.000 1.039 439 T CA 2.310 64.404 62.100 -0.010 0.000 1.153 439 T CB -0.522 68.351 68.868 0.008 0.000 0.863 439 T HN 0.823 nan 8.240 nan 0.000 0.428 440 A N 0.784 123.583 122.820 -0.036 0.000 1.968 440 A HA 0.111 4.432 4.320 0.001 0.000 0.217 440 A C 2.317 179.837 177.584 -0.106 0.000 1.169 440 A CA 0.835 52.847 52.037 -0.042 0.000 0.638 440 A CB -0.700 18.291 19.000 -0.015 0.000 0.812 440 A HN 0.464 nan 8.150 nan 0.000 0.446 441 L N -0.593 120.513 121.223 -0.195 0.000 1.990 441 L HA -0.227 4.114 4.340 0.001 0.000 0.213 441 L C 2.844 179.336 176.870 -0.631 0.000 1.072 441 L CA 1.754 56.295 54.840 -0.498 0.000 0.755 441 L CB -1.136 40.545 42.059 -0.629 0.000 0.889 441 L HN 0.516 nan 8.230 nan 0.000 0.432 442 G N -0.722 107.891 108.800 -0.311 0.000 2.476 442 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 442 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 442 G C 1.694 176.594 174.900 -0.000 0.000 1.164 442 G CA 0.961 46.050 45.100 -0.019 0.000 0.768 442 G HN 0.529 nan 8.290 nan 0.000 0.560 443 A N 0.938 123.735 122.820 -0.039 0.000 1.969 443 A HA 0.334 4.655 4.320 0.001 0.000 0.218 443 A C 2.796 180.416 177.584 0.061 0.000 1.169 443 A CA 2.087 54.120 52.037 -0.007 0.000 0.635 443 A CB -0.680 18.315 19.000 -0.008 0.000 0.810 443 A HN 0.777 nan 8.150 nan 0.000 0.445 444 A N -0.564 122.292 122.820 0.059 0.000 1.851 444 A HA -0.101 4.220 4.320 0.001 0.000 0.216 444 A C 2.060 179.887 177.584 0.405 0.000 1.195 444 A CA 1.661 53.812 52.037 0.189 0.000 0.622 444 A CB -1.002 18.093 19.000 0.159 0.000 0.831 444 A HN 0.513 nan 8.150 nan 0.000 0.444 445 Y N -0.766 119.674 120.300 0.233 0.000 2.069 445 Y HA -0.225 4.325 4.550 0.001 0.000 0.278 445 Y C 2.363 178.451 175.900 0.312 0.000 1.175 445 Y CA 1.129 59.391 58.100 0.271 0.000 1.134 445 Y CB -1.428 37.186 38.460 0.257 0.000 0.965 445 Y HN 0.237 nan 8.280 nan 0.000 0.498 446 L N -0.122 121.286 121.223 0.308 0.000 1.989 446 L HA -0.180 4.161 4.340 0.001 0.000 0.211 446 L C 2.524 179.479 176.870 0.141 0.000 1.071 446 L CA 2.082 56.958 54.840 0.060 0.000 0.749 446 L CB -1.391 40.559 42.059 -0.181 0.000 0.890 446 L HN 0.181 nan 8.230 nan 0.000 0.431 447 A N -1.013 121.901 122.820 0.157 0.000 1.933 447 A HA -0.106 4.215 4.320 0.001 0.000 0.218 447 A C 2.352 180.037 177.584 0.168 0.000 1.175 447 A CA 1.630 53.748 52.037 0.134 0.000 0.628 447 A CB -1.404 17.661 19.000 0.108 0.000 0.814 447 A HN 0.499 nan 8.150 nan 0.000 0.444 448 G N -0.368 108.616 108.800 0.306 0.000 2.418 448 G HA2 -0.100 3.861 3.960 0.001 0.000 0.217 448 G HA3 -0.100 3.861 3.960 0.001 0.000 0.217 448 G C 1.383 176.498 174.900 0.358 0.000 1.158 448 G CA 1.109 46.438 45.100 0.380 0.000 0.771 448 G HN 0.333 nan 8.290 nan 0.000 0.545 449 L N 1.577 123.021 121.223 0.367 0.000 1.990 449 L HA -0.021 4.320 4.340 0.001 0.000 0.213 449 L C 3.233 180.199 176.870 0.159 0.000 1.072 449 L CA 1.782 56.782 54.840 0.266 0.000 0.755 449 L CB -1.056 41.154 42.059 0.251 0.000 0.889 449 L HN 0.294 nan 8.230 nan 0.000 0.432 450 A N -1.159 121.729 122.820 0.114 0.000 2.234 450 A HA -0.038 4.283 4.320 0.001 0.000 0.216 450 A C 1.299 178.903 177.584 0.034 0.000 1.167 450 A CA 1.509 53.571 52.037 0.041 0.000 0.698 450 A CB -0.658 18.330 19.000 -0.020 0.000 0.779 450 A HN 0.463 nan 8.150 nan 0.000 0.475 451 V N -6.166 113.793 119.914 0.075 0.000 2.864 451 V HA 0.626 4.747 4.120 0.001 0.000 0.378 451 V C 0.746 176.893 176.094 0.089 0.000 1.346 451 V CA 0.325 62.662 62.300 0.063 0.000 1.328 451 V CB -0.702 31.150 31.823 0.048 0.000 1.361 451 V HN 1.499 nan 8.190 nan 0.000 0.641 452 G N 1.178 110.031 108.800 0.089 0.000 2.708 452 G HA2 -0.454 3.507 3.960 0.001 0.000 0.229 452 G HA3 -0.454 3.507 3.960 0.001 0.000 0.229 452 G C 0.676 175.607 174.900 0.051 0.000 1.236 452 G CA 0.857 45.995 45.100 0.062 0.000 0.749 452 G HN 0.824 nan 8.290 nan 0.000 0.515 453 F N 0.529 120.424 119.950 -0.092 0.000 2.115 453 F HA -0.156 4.371 4.527 0.000 0.000 0.279 453 F C 1.364 176.896 175.800 -0.446 0.000 1.092 453 F CA 2.835 60.642 58.000 -0.322 0.000 1.346 453 F CB -0.097 38.605 39.000 -0.497 0.000 0.919 453 F HN 0.421 nan 8.300 nan 0.000 0.505 454 W N -0.350 120.996 121.300 0.077 0.000 2.799 454 W HA 0.297 4.958 4.660 0.002 0.000 0.349 454 W C 0.790 177.327 176.519 0.030 0.000 1.100 454 W CA -0.275 57.051 57.345 -0.032 0.000 1.174 454 W CB 0.980 30.358 29.460 -0.136 0.000 1.427 454 W HN 0.036 nan 8.180 nan 0.000 0.547 455 Q N 0.323 120.264 119.800 0.235 0.000 2.352 455 Q HA 0.085 4.426 4.340 0.001 0.000 0.212 455 Q C 0.296 176.367 176.000 0.118 0.000 0.888 455 Q CA 0.479 56.368 55.803 0.144 0.000 0.934 455 Q CB 1.073 29.864 28.738 0.088 0.000 1.093 455 Q HN 0.504 nan 8.270 nan 0.000 0.523 456 N N -0.642 118.124 118.700 0.109 0.000 2.935 456 N HA 0.058 4.798 4.740 0.001 0.000 0.248 456 N C -0.185 175.307 175.510 -0.030 0.000 1.276 456 N CA -0.455 52.624 53.050 0.048 0.000 0.906 456 N CB 0.972 39.477 38.487 0.029 0.000 1.564 456 N HN 0.055 nan 8.380 nan 0.000 0.500 457 L N 1.022 122.205 121.223 -0.067 0.000 2.089 457 L HA -0.239 4.102 4.340 0.001 0.000 0.213 457 L C 1.093 177.848 176.870 -0.192 0.000 1.079 457 L CA 2.129 56.865 54.840 -0.173 0.000 0.758 457 L CB -0.384 41.578 42.059 -0.160 0.000 0.891 457 L HN 0.646 nan 8.230 nan 0.000 0.433 458 D N -0.941 119.391 120.400 -0.114 0.000 2.310 458 D HA -0.172 4.469 4.640 0.001 0.000 0.212 458 D C 1.933 178.172 176.300 -0.102 0.000 0.965 458 D CA 0.594 54.536 54.000 -0.096 0.000 0.879 458 D CB 0.068 40.837 40.800 -0.052 0.000 0.921 458 D HN 0.342 nan 8.370 nan 0.000 0.510 459 E N -0.064 120.070 120.200 -0.110 0.000 2.038 459 E HA -0.154 4.196 4.350 0.001 0.000 0.195 459 E C 1.701 178.177 176.600 -0.207 0.000 1.000 459 E CA 0.896 57.239 56.400 -0.095 0.000 0.803 459 E CB -0.016 29.665 29.700 -0.032 0.000 0.750 459 E HN 0.296 nan 8.360 nan 0.000 0.448 460 L N 0.269 121.259 121.223 -0.388 0.000 2.478 460 L HA -0.039 4.302 4.340 0.001 0.000 0.223 460 L C 2.211 178.920 176.870 -0.268 0.000 1.140 460 L CA 0.374 54.929 54.840 -0.474 0.000 0.842 460 L CB -0.263 41.215 42.059 -0.969 0.000 0.953 460 L HN 0.013 nan 8.230 nan 0.000 0.452 461 Q N 0.596 120.278 119.800 -0.197 0.000 2.242 461 Q HA -0.245 4.095 4.340 0.001 0.000 0.211 461 Q C 1.636 177.589 176.000 -0.079 0.000 0.992 461 Q CA 1.532 57.261 55.803 -0.123 0.000 0.889 461 Q CB -0.003 28.678 28.738 -0.094 0.000 0.913 461 Q HN 0.267 nan 8.270 nan 0.000 0.422 462 E N -1.495 118.664 120.200 -0.069 0.000 2.624 462 E HA 0.061 4.412 4.350 0.001 0.000 0.210 462 E C 0.390 176.976 176.600 -0.023 0.000 0.997 462 E CA 0.012 56.391 56.400 -0.036 0.000 0.999 462 E CB 0.316 30.003 29.700 -0.021 0.000 1.040 462 E HN 0.269 nan 8.360 nan 0.000 0.469 463 K N -0.198 120.180 120.400 -0.037 0.000 2.076 463 K HA 0.152 4.473 4.320 0.001 0.000 0.204 463 K C 0.950 177.560 176.600 0.017 0.000 1.051 463 K CA 0.637 56.920 56.287 -0.006 0.000 0.949 463 K CB 0.002 32.494 32.500 -0.014 0.000 0.726 463 K HN 0.006 nan 8.250 nan 0.000 0.443 464 A N 2.802 125.631 122.820 0.015 0.000 2.451 464 A HA 0.327 4.648 4.320 0.001 0.000 0.266 464 A C 0.116 177.712 177.584 0.020 0.000 1.119 464 A CA -0.374 51.679 52.037 0.027 0.000 0.786 464 A CB -0.025 18.992 19.000 0.028 0.000 1.061 464 A HN 0.148 nan 8.150 nan 0.000 0.503 465 V N 2.801 122.731 119.914 0.027 0.000 2.686 465 V HA 0.580 4.701 4.120 0.001 0.000 0.306 465 V C -0.085 176.026 176.094 0.029 0.000 1.065 465 V CA -1.173 61.141 62.300 0.023 0.000 0.894 465 V CB 1.570 33.405 31.823 0.019 0.000 1.004 465 V HN 1.083 nan 8.190 nan 0.000 0.424 466 I N 3.108 123.694 120.570 0.027 0.000 2.576 466 I HA 0.222 4.393 4.170 0.001 0.000 0.288 466 I C 1.128 177.259 176.117 0.024 0.000 1.126 466 I CA 0.749 62.070 61.300 0.034 0.000 1.362 466 I CB 0.656 38.683 38.000 0.045 0.000 1.419 466 I HN 1.138 nan 8.210 nan 0.000 0.533 467 E N 7.392 127.614 120.200 0.036 0.000 2.150 467 E HA -0.099 4.252 4.350 0.001 0.000 0.193 467 E C 0.165 176.763 176.600 -0.003 0.000 0.985 467 E CA 0.654 57.068 56.400 0.023 0.000 0.814 467 E CB 0.454 30.179 29.700 0.040 0.000 0.752 467 E HN 0.723 nan 8.360 nan 0.000 0.466 468 R N 0.207 120.716 120.500 0.014 0.000 2.604 468 R HA 0.172 4.513 4.340 0.001 0.000 0.261 468 R C -1.727 174.557 176.300 -0.027 0.000 1.080 468 R CA -0.391 55.661 56.100 -0.079 0.000 0.917 468 R CB 1.601 31.778 30.300 -0.205 0.000 1.252 468 R HN 0.076 nan 8.270 nan 0.000 0.456 469 E N 3.758 123.871 120.200 -0.145 0.000 2.165 469 E HA 0.395 4.746 4.350 0.001 0.000 0.266 469 E C -1.264 175.256 176.600 -0.134 0.000 0.889 469 E CA -0.468 55.917 56.400 -0.025 0.000 0.756 469 E CB 0.825 30.524 29.700 -0.002 0.000 1.131 469 E HN 0.231 nan 8.360 nan 0.000 0.411 470 F N 3.187 123.123 119.950 -0.024 0.000 2.450 470 F HA 0.519 5.046 4.527 0.001 0.000 0.332 470 F C 0.433 176.209 175.800 -0.041 0.000 1.093 470 F CA -0.820 57.159 58.000 -0.035 0.000 1.003 470 F CB 1.262 40.233 39.000 -0.049 0.000 1.151 470 F HN 0.287 nan 8.300 nan 0.000 0.474 471 R N 1.898 122.471 120.500 0.122 0.000 2.686 471 R HA 0.495 4.836 4.340 0.001 0.000 0.286 471 R C -3.107 173.207 176.300 0.024 0.000 0.969 471 R CA -2.213 53.915 56.100 0.046 0.000 0.898 471 R CB 1.499 31.806 30.300 0.011 0.000 1.183 471 R HN 0.230 nan 8.270 nan 0.000 0.456 472 P HA 0.044 nan 4.420 nan 0.000 0.267 472 P C 0.115 177.403 177.300 -0.020 0.000 1.209 472 P CA 0.035 63.113 63.100 -0.036 0.000 0.763 472 P CB 0.648 32.315 31.700 -0.055 0.000 0.816 473 G N 3.686 112.476 108.800 -0.016 0.000 4.433 473 G HA2 0.442 4.403 3.960 0.001 0.000 0.304 473 G HA3 0.442 4.403 3.960 0.001 0.000 0.304 473 G C -0.217 174.686 174.900 0.006 0.000 1.254 473 G CA -0.163 44.938 45.100 0.001 0.000 0.999 473 G HN 0.591 nan 8.290 nan 0.000 0.576 474 I N -1.349 119.217 120.570 -0.007 0.000 2.752 474 I HA 0.455 4.626 4.170 0.001 0.000 0.295 474 I C -0.788 175.332 176.117 0.006 0.000 1.219 474 I CA -0.851 60.453 61.300 0.007 0.000 1.030 474 I CB 2.507 40.504 38.000 -0.004 0.000 1.259 474 I HN 0.167 nan 8.210 nan 0.000 0.423 475 E N 4.262 124.477 120.200 0.026 0.000 2.502 475 E HA -0.030 4.321 4.350 0.001 0.000 0.261 475 E C 0.157 176.779 176.600 0.037 0.000 0.974 475 E CA 0.379 56.797 56.400 0.030 0.000 0.936 475 E CB 1.051 30.776 29.700 0.042 0.000 0.926 475 E HN 0.741 nan 8.360 nan 0.000 0.459 476 T N 3.590 118.162 114.554 0.031 0.000 2.555 476 T HA -0.218 4.133 4.350 0.001 0.000 0.264 476 T C 1.546 176.291 174.700 0.076 0.000 1.083 476 T CA 2.165 64.289 62.100 0.040 0.000 1.179 476 T CB -0.537 68.352 68.868 0.035 0.000 0.863 476 T HN 0.700 nan 8.240 nan 0.000 0.412 477 T N 1.571 116.165 114.554 0.067 0.000 2.578 477 T HA -0.318 4.032 4.350 0.001 0.000 0.252 477 T C 1.775 176.551 174.700 0.126 0.000 1.192 477 T CA 2.243 64.386 62.100 0.071 0.000 1.143 477 T CB -0.695 68.190 68.868 0.028 0.000 0.848 477 T HN 0.561 nan 8.240 nan 0.000 0.450 478 E N 0.681 120.953 120.200 0.120 0.000 2.023 478 E HA -0.240 4.110 4.350 0.001 0.000 0.196 478 E C 2.477 179.254 176.600 0.295 0.000 1.003 478 E CA 1.544 58.070 56.400 0.210 0.000 0.809 478 E CB -0.134 29.658 29.700 0.154 0.000 0.755 478 E HN 0.578 nan 8.360 nan 0.000 0.449 479 R N 0.480 121.086 120.500 0.177 0.000 2.091 479 R HA -0.193 4.148 4.340 0.001 0.000 0.238 479 R C 1.926 178.360 176.300 0.224 0.000 1.136 479 R CA 1.968 58.155 56.100 0.145 0.000 0.959 479 R CB -0.426 29.890 30.300 0.026 0.000 0.856 479 R HN 0.111 nan 8.270 nan 0.000 0.437 480 N N 0.143 118.974 118.700 0.218 0.000 2.043 480 N HA -0.215 4.526 4.740 0.001 0.000 0.193 480 N C 1.529 177.230 175.510 0.319 0.000 1.037 480 N CA 1.614 54.815 53.050 0.251 0.000 0.851 480 N CB -0.824 37.775 38.487 0.188 0.000 1.027 480 N HN 0.303 nan 8.380 nan 0.000 0.422 481 Y N 2.130 122.525 120.300 0.159 0.000 2.081 481 Y HA -0.183 4.368 4.550 0.001 0.000 0.280 481 Y C 2.313 178.337 175.900 0.206 0.000 1.163 481 Y CA 1.747 59.938 58.100 0.150 0.000 1.135 481 Y CB -0.425 38.116 38.460 0.135 0.000 0.970 481 Y HN -0.007 nan 8.280 nan 0.000 0.498 482 R N -1.463 119.093 120.500 0.093 0.000 2.091 482 R HA -0.245 4.096 4.340 0.001 0.000 0.238 482 R C 2.198 178.641 176.300 0.240 0.000 1.136 482 R CA 1.852 58.033 56.100 0.137 0.000 0.959 482 R CB -0.919 29.626 30.300 0.410 0.000 0.856 482 R HN 0.484 nan 8.270 nan 0.000 0.437 483 Y N 0.895 121.288 120.300 0.156 0.000 2.373 483 Y HA -0.097 4.453 4.550 0.001 0.000 0.293 483 Y C 2.117 178.041 175.900 0.041 0.000 1.129 483 Y CA 0.704 58.867 58.100 0.106 0.000 1.226 483 Y CB -0.252 38.312 38.460 0.174 0.000 1.000 483 Y HN 0.053 nan 8.280 nan 0.000 0.549 484 A N -0.122 122.694 122.820 -0.006 0.000 1.902 484 A HA -0.124 4.197 4.320 0.001 0.000 0.217 484 A C 2.529 179.951 177.584 -0.271 0.000 1.181 484 A CA 1.761 53.722 52.037 -0.126 0.000 0.623 484 A CB -1.602 17.388 19.000 -0.017 0.000 0.818 484 A HN 0.523 nan 8.150 nan 0.000 0.443 485 G N -1.380 107.244 108.800 -0.293 0.000 2.432 485 G HA2 -0.283 3.678 3.960 0.001 0.000 0.219 485 G HA3 -0.283 3.678 3.960 0.001 0.000 0.219 485 G C 1.486 175.794 174.900 -0.988 0.000 1.135 485 G CA 0.880 45.667 45.100 -0.522 0.000 0.767 485 G HN 0.740 nan 8.290 nan 0.000 0.550 486 W N 1.635 122.329 121.300 -1.011 0.000 2.317 486 W HA -0.155 4.506 4.660 0.001 0.000 0.318 486 W C 2.235 178.342 176.519 -0.686 0.000 1.227 486 W CA 1.617 58.419 57.345 -0.904 0.000 1.269 486 W CB -0.130 28.840 29.460 -0.817 0.000 1.155 486 W HN 0.194 nan 8.180 nan 0.000 0.484 487 K N 0.369 120.317 120.400 -0.752 0.000 2.032 487 K HA -0.267 4.054 4.320 0.001 0.000 0.209 487 K C 2.204 178.383 176.600 -0.702 0.000 1.048 487 K CA 2.124 57.939 56.287 -0.787 0.000 0.927 487 K CB -0.571 31.617 32.500 -0.521 0.000 0.712 487 K HN 0.113 nan 8.250 nan 0.000 0.441 488 K N 1.100 121.140 120.400 -0.601 0.000 2.063 488 K HA -0.159 4.161 4.320 0.001 0.000 0.208 488 K C 2.146 178.301 176.600 -0.741 0.000 1.048 488 K CA 1.439 57.387 56.287 -0.566 0.000 0.928 488 K CB -0.155 32.056 32.500 -0.480 0.000 0.713 488 K HN 0.125 nan 8.250 nan 0.000 0.442 489 A N 0.995 123.270 122.820 -0.908 0.000 1.902 489 A HA -0.096 4.225 4.320 0.001 0.000 0.217 489 A C 2.286 179.411 177.584 -0.764 0.000 1.181 489 A CA 1.559 52.995 52.037 -1.001 0.000 0.623 489 A CB -0.717 17.856 19.000 -0.712 0.000 0.818 489 A HN 0.190 nan 8.150 nan 0.000 0.443 490 V N 0.978 120.311 119.914 -0.967 0.000 2.282 490 V HA -0.357 3.764 4.120 0.001 0.000 0.249 490 V C 2.479 178.173 176.094 -0.667 0.000 1.057 490 V CA 2.570 64.273 62.300 -0.995 0.000 1.032 490 V CB -0.701 30.270 31.823 -1.419 0.000 0.645 490 V HN 0.692 nan 8.190 nan 0.000 0.447 491 K N -0.343 119.708 120.400 -0.582 0.000 2.211 491 K HA -0.161 4.160 4.320 0.001 0.000 0.203 491 K C 2.209 178.646 176.600 -0.271 0.000 1.050 491 K CA 1.190 57.245 56.287 -0.387 0.000 0.945 491 K CB -0.240 32.070 32.500 -0.317 0.000 0.732 491 K HN 0.300 nan 8.250 nan 0.000 0.451 492 R N 0.769 121.073 120.500 -0.327 0.000 2.193 492 R HA 0.066 4.407 4.340 0.001 0.000 0.213 492 R C 2.114 178.443 176.300 0.048 0.000 1.055 492 R CA 0.839 56.835 56.100 -0.174 0.000 0.995 492 R CB -0.101 29.965 30.300 -0.391 0.000 0.893 492 R HN 0.250 nan 8.270 nan 0.000 0.459 493 A N 0.521 123.335 122.820 -0.009 0.000 2.066 493 A HA 0.028 4.349 4.320 0.001 0.000 0.218 493 A C 0.739 178.319 177.584 -0.005 0.000 1.157 493 A CA 0.415 52.438 52.037 -0.024 0.000 0.670 493 A CB -0.264 18.650 19.000 -0.144 0.000 0.804 493 A HN 0.167 nan 8.150 nan 0.000 0.453 494 M N -1.151 118.427 119.600 -0.037 0.000 2.239 494 M HA 0.401 4.881 4.480 0.001 0.000 0.348 494 M C 0.908 177.283 176.300 0.125 0.000 1.239 494 M CA 0.619 55.930 55.300 0.019 0.000 1.114 494 M CB 0.110 32.684 32.600 -0.042 0.000 1.641 494 M HN 0.708 nan 8.290 nan 0.000 0.453 495 A N 1.931 124.859 122.820 0.181 0.000 2.872 495 A HA -0.155 4.166 4.320 0.001 0.000 0.273 495 A C 0.912 178.625 177.584 0.216 0.000 1.442 495 A CA 1.086 53.246 52.037 0.206 0.000 0.801 495 A CB -2.378 16.695 19.000 0.122 0.000 1.031 495 A HN 1.162 nan 8.150 nan 0.000 0.582 496 W N 0.046 121.382 121.300 0.060 0.000 2.378 496 W HA -0.021 4.640 4.660 0.001 0.000 0.313 496 W C 0.914 177.465 176.519 0.053 0.000 1.197 496 W CA 1.708 59.071 57.345 0.031 0.000 1.304 496 W CB -0.067 29.391 29.460 -0.002 0.000 1.148 496 W HN 0.651 nan 8.180 nan 0.000 0.494 497 E N 1.710 122.049 120.200 0.232 0.000 2.418 497 E HA -0.113 4.237 4.350 0.001 0.000 0.261 497 E C -1.216 175.395 176.600 0.018 0.000 1.070 497 E CA 0.511 57.000 56.400 0.148 0.000 0.931 497 E CB 0.692 30.613 29.700 0.369 0.000 0.954 497 E HN -0.111 nan 8.360 nan 0.000 0.439 498 E N 1.729 121.922 120.200 -0.012 0.000 2.046 498 E HA 0.153 4.504 4.350 0.001 0.000 0.279 498 E C -1.204 175.407 176.600 0.019 0.000 0.989 498 E CA -0.298 56.063 56.400 -0.065 0.000 0.798 498 E CB 0.163 29.806 29.700 -0.094 0.000 1.086 498 E HN 0.501 nan 8.360 nan 0.000 0.399 499 H N 2.814 121.715 119.070 -0.281 0.000 2.700 499 H HA 0.293 4.850 4.556 0.001 0.000 0.269 499 H C -0.286 174.977 175.328 -0.108 0.000 1.222 499 H CA -1.355 54.580 56.048 -0.190 0.000 1.254 499 H CB 0.163 29.746 29.762 -0.298 0.000 1.413 499 H HN 0.288 nan 8.280 nan 0.000 0.507 500 D N 0.000 120.390 120.400 -0.017 0.000 6.856 500 D HA 0.000 4.641 4.640 0.001 0.000 0.175 500 D CA 0.000 53.982 54.000 -0.029 0.000 0.868 500 D CB 0.000 40.825 40.800 0.042 0.000 0.688 500 D HN 0.000 nan 8.370 nan 0.000 0.683