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 3cyj_1_D DATA FIRST_RESID 4 DATA SEQUENCE PRVERLEVSA YTVPTDYPES DGTLQWDSTT MILVEAHGGG RKGLGYTYGD DATA SEQUENCE VSVGRFVESK LAGVAEGSDA LSPPAVWARM QAAIRNAGRP GVGAMAVSAV DATA SEQUENCE DIALWDLKAR LLGLPLADAL PRFHAEVPVY GSGGFTSYPL RRLQEQLGGW DATA SEQUENCE AAAGIPRVKM KVGREPEKDP ERVRAAREAI GESVELMVDA NGAYTRKQAL DATA SEQUENCE YWAGAFAREA GISYLEEPVS SEDREGLRLL RDRGPGGVAI AAGEYEWTLP DATA SEQUENCE QLHDLAGCVD ILQADVTRCG GITGLLRVDG ICRGHQIPFS AHCAPAVSAH DATA SEQUENCE ACCAVESLLH LEYFHDHARV ERLLFDGTLD PEGGSLRPDP DRPGLGLELK DATA SEQUENCE RSEAGKYAA 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.292 177.300 -0.014 0.000 1.155 4 P CA 0.000 63.094 63.100 -0.011 0.000 0.800 4 P CB 0.000 31.692 31.700 -0.014 0.000 0.726 5 R N 0.467 120.963 120.500 -0.006 0.000 2.778 5 R HA 0.617 4.957 4.340 0.000 0.000 0.277 5 R C -0.361 175.940 176.300 0.003 0.000 0.977 5 R CA -0.968 55.129 56.100 -0.006 0.000 0.950 5 R CB 2.438 32.736 30.300 -0.002 0.000 1.165 5 R HN 0.264 nan 8.270 nan 0.000 0.474 6 V N 2.758 122.673 119.914 0.002 0.000 2.485 6 V HA 0.049 4.169 4.120 0.000 0.000 0.287 6 V C 1.675 177.786 176.094 0.027 0.000 1.022 6 V CA 0.916 63.226 62.300 0.018 0.000 1.067 6 V CB 0.703 32.533 31.823 0.012 0.000 0.967 6 V HN 1.018 nan 8.190 nan 0.000 0.479 7 E N 4.743 124.971 120.200 0.047 0.000 2.201 7 E HA 0.205 4.555 4.350 0.000 0.000 0.193 7 E C 1.171 177.791 176.600 0.032 0.000 0.957 7 E CA 0.587 57.009 56.400 0.036 0.000 0.858 7 E CB 0.424 30.147 29.700 0.039 0.000 0.816 7 E HN 0.671 nan 8.360 nan 0.000 0.475 8 R N -0.810 119.728 120.500 0.063 0.000 2.536 8 R HA 0.505 4.845 4.340 0.000 0.000 0.269 8 R C -1.801 174.569 176.300 0.117 0.000 1.113 8 R CA -0.510 55.619 56.100 0.047 0.000 0.948 8 R CB 1.156 31.434 30.300 -0.037 0.000 1.237 8 R HN 0.220 nan 8.270 nan 0.000 0.441 9 L N 4.315 125.591 121.223 0.088 0.000 2.289 9 L HA 0.425 4.765 4.340 0.000 0.000 0.285 9 L C -0.200 176.735 176.870 0.108 0.000 1.049 9 L CA -0.581 54.327 54.840 0.114 0.000 0.804 9 L CB 1.685 43.793 42.059 0.082 0.000 1.195 9 L HN 0.692 nan 8.230 nan 0.000 0.428 10 E N 3.041 123.335 120.200 0.155 0.000 2.183 10 E HA 0.634 4.984 4.350 0.000 0.000 0.271 10 E C -1.276 175.397 176.600 0.121 0.000 0.919 10 E CA -0.897 55.577 56.400 0.123 0.000 0.781 10 E CB 2.347 32.126 29.700 0.133 0.000 1.140 10 E HN 0.178 nan 8.360 nan 0.000 0.402 11 V N 1.971 121.939 119.914 0.090 0.000 2.540 11 V HA 0.626 4.746 4.120 0.000 0.000 0.302 11 V C -0.332 175.796 176.094 0.057 0.000 1.035 11 V CA -0.606 61.744 62.300 0.084 0.000 0.873 11 V CB 1.341 33.204 31.823 0.067 0.000 0.992 11 V HN 0.915 nan 8.190 nan 0.000 0.428 12 S N 2.551 118.284 115.700 0.055 0.000 2.618 12 S HA 0.990 5.460 4.470 0.000 0.000 0.277 12 S C -0.695 173.785 174.600 -0.201 0.000 1.138 12 S CA -0.406 57.755 58.200 -0.066 0.000 0.844 12 S CB 2.316 65.520 63.200 0.005 0.000 1.127 12 S HN 1.546 nan 8.310 nan 0.000 0.474 13 A N 0.627 123.139 122.820 -0.514 0.000 2.498 13 A HA 0.839 5.159 4.320 0.000 0.000 0.298 13 A C -2.104 174.924 177.584 -0.926 0.000 1.075 13 A CA -0.766 50.972 52.037 -0.499 0.000 0.714 13 A CB 1.037 19.938 19.000 -0.164 0.000 1.299 13 A HN 0.814 nan 8.150 nan 0.000 0.407 14 Y N -0.018 120.310 120.300 0.045 0.000 2.406 14 Y HA 0.580 5.130 4.550 0.000 0.000 0.340 14 Y C 0.136 176.074 175.900 0.063 0.000 0.975 14 Y CA -0.525 57.609 58.100 0.056 0.000 1.056 14 Y CB 2.717 41.180 38.460 0.006 0.000 1.210 14 Y HN 0.530 nan 8.280 nan 0.000 0.448 15 T N 3.488 118.167 114.554 0.208 0.000 2.786 15 T HA 0.575 4.925 4.350 0.000 0.000 0.283 15 T C -0.849 173.950 174.700 0.165 0.000 0.992 15 T CA -0.643 61.553 62.100 0.160 0.000 0.954 15 T CB 0.880 69.824 68.868 0.126 0.000 0.934 15 T HN 0.314 nan 8.240 nan 0.000 0.440 16 V N 6.376 126.314 119.914 0.040 0.000 2.407 16 V HA 0.367 4.487 4.120 0.000 0.000 0.291 16 V C -2.320 173.765 176.094 -0.015 0.000 1.018 16 V CA -2.371 59.857 62.300 -0.119 0.000 0.842 16 V CB 1.428 33.023 31.823 -0.381 0.000 0.996 16 V HN 0.653 nan 8.190 nan 0.000 0.426 17 P HA 0.118 nan 4.420 nan 0.000 0.266 17 P C 0.363 177.672 177.300 0.014 0.000 1.195 17 P CA 0.143 63.273 63.100 0.049 0.000 0.768 17 P CB 0.191 31.933 31.700 0.070 0.000 0.838 18 T N -1.248 113.317 114.554 0.018 0.000 2.856 18 T HA 0.061 4.412 4.350 0.000 0.000 0.306 18 T C 0.921 175.636 174.700 0.026 0.000 1.062 18 T CA -0.349 61.755 62.100 0.006 0.000 1.083 18 T CB 0.257 69.094 68.868 -0.052 0.000 0.984 18 T HN 0.446 nan 8.240 nan 0.000 0.542 19 D N -1.079 119.372 120.400 0.084 0.000 2.349 19 D HA 0.030 4.670 4.640 0.000 0.000 0.224 19 D C -0.031 176.368 176.300 0.166 0.000 1.029 19 D CA 0.273 54.340 54.000 0.112 0.000 0.879 19 D CB -0.383 40.500 40.800 0.139 0.000 0.906 19 D HN 0.653 nan 8.370 nan 0.000 0.528 20 Y N -0.398 119.888 120.300 -0.024 0.000 2.565 20 Y HA 0.313 4.863 4.550 0.000 0.000 0.330 20 Y C -2.687 173.144 175.900 -0.114 0.000 1.150 20 Y CA -2.231 55.843 58.100 -0.043 0.000 1.055 20 Y CB 1.838 40.294 38.460 -0.007 0.000 1.337 20 Y HN -0.301 nan 8.280 nan 0.000 0.457 21 P HA 0.084 nan 4.420 nan 0.000 0.264 21 P C -1.186 175.917 177.300 -0.329 0.000 1.193 21 P CA 0.544 63.411 63.100 -0.388 0.000 0.763 21 P CB 0.709 32.151 31.700 -0.430 0.000 0.810 22 E N 1.059 120.867 120.200 -0.653 0.000 2.227 22 E HA 0.543 4.893 4.350 0.000 0.000 0.268 22 E C -0.319 175.573 176.600 -1.180 0.000 0.907 22 E CA -0.666 55.088 56.400 -1.077 0.000 0.786 22 E CB 1.764 30.395 29.700 -1.782 0.000 1.191 22 E HN 0.504 nan 8.360 nan 0.000 0.411 23 S N 1.281 116.519 115.700 -0.770 0.000 2.625 23 S HA 0.646 5.117 4.470 0.000 0.000 0.271 23 S C -1.334 173.304 174.600 0.063 0.000 1.161 23 S CA -0.970 56.998 58.200 -0.386 0.000 0.820 23 S CB 1.965 65.087 63.200 -0.131 0.000 1.137 23 S HN 0.561 nan 8.310 nan 0.000 0.470 24 D N -0.930 119.653 120.400 0.305 0.000 2.867 24 D HA 0.563 5.204 4.640 0.000 0.000 0.308 24 D C 1.334 177.726 176.300 0.153 0.000 1.202 24 D CA -0.193 53.981 54.000 0.290 0.000 1.035 24 D CB -0.112 40.949 40.800 0.435 0.000 1.427 24 D HN 0.720 nan 8.370 nan 0.000 0.570 25 G N -1.406 107.439 108.800 0.075 0.000 2.450 25 G HA2 -0.088 3.873 3.960 0.000 0.000 0.220 25 G HA3 -0.088 3.873 3.960 0.000 0.000 0.220 25 G C 1.041 175.952 174.900 0.020 0.000 1.130 25 G CA 1.669 46.762 45.100 -0.011 0.000 0.760 25 G HN 0.780 nan 8.290 nan 0.000 0.557 26 T N -3.166 111.429 114.554 0.069 0.000 3.231 26 T HA 0.610 4.960 4.350 0.000 0.000 0.292 26 T C -0.270 174.501 174.700 0.118 0.000 1.001 26 T CA -0.448 61.693 62.100 0.069 0.000 0.920 26 T CB 0.412 69.303 68.868 0.039 0.000 1.140 26 T HN 0.126 nan 8.240 nan 0.000 0.525 27 L N 0.625 121.970 121.223 0.203 0.000 2.582 27 L HA 0.587 4.927 4.340 0.000 0.000 0.257 27 L C -1.963 175.142 176.870 0.392 0.000 0.974 27 L CA -0.460 54.549 54.840 0.281 0.000 0.851 27 L CB 2.484 44.708 42.059 0.275 0.000 1.424 27 L HN 0.160 nan 8.230 nan 0.000 0.412 28 Q N 2.266 122.264 119.800 0.330 0.000 2.365 28 Q HA 0.722 5.062 4.340 0.000 0.000 0.269 28 Q C -1.923 174.288 176.000 0.351 0.000 1.061 28 Q CA -0.493 55.421 55.803 0.185 0.000 0.816 28 Q CB 2.702 31.466 28.738 0.043 0.000 1.325 28 Q HN 0.637 nan 8.270 nan 0.000 0.446 29 W N 0.842 122.132 121.300 -0.017 0.000 3.146 29 W HA 0.502 5.162 4.660 0.001 0.000 0.319 29 W C -1.108 175.382 176.519 -0.048 0.000 1.258 29 W CA -0.774 56.560 57.345 -0.017 0.000 1.189 29 W CB 0.749 30.213 29.460 0.006 0.000 1.412 29 W HN 0.589 nan 8.180 nan 0.000 0.567 30 D N 0.282 120.723 120.400 0.068 0.000 2.636 30 D HA 0.298 4.938 4.640 0.000 0.000 0.270 30 D C -0.207 176.134 176.300 0.067 0.000 1.430 30 D CA 0.207 54.180 54.000 -0.046 0.000 0.796 30 D CB -0.037 40.718 40.800 -0.075 0.000 1.117 30 D HN 0.598 nan 8.370 nan 0.000 0.480 31 S N -1.801 114.019 115.700 0.201 0.000 2.643 31 S HA 0.749 5.219 4.470 0.000 0.000 0.270 31 S C -1.054 173.678 174.600 0.220 0.000 1.166 31 S CA -0.672 57.629 58.200 0.169 0.000 0.815 31 S CB 1.796 65.070 63.200 0.124 0.000 1.139 31 S HN -0.068 nan 8.310 nan 0.000 0.472 32 T N 1.630 116.270 114.554 0.144 0.000 2.881 32 T HA 0.660 5.010 4.350 0.000 0.000 0.290 32 T C -1.161 173.629 174.700 0.149 0.000 1.000 32 T CA -0.447 61.735 62.100 0.137 0.000 0.978 32 T CB 1.768 70.693 68.868 0.095 0.000 0.997 32 T HN 0.698 nan 8.240 nan 0.000 0.443 33 T N 4.122 118.784 114.554 0.181 0.000 2.758 33 T HA 0.511 4.861 4.350 0.000 0.000 0.285 33 T C -0.276 174.580 174.700 0.260 0.000 0.981 33 T CA -0.526 61.684 62.100 0.183 0.000 0.965 33 T CB 0.658 69.603 68.868 0.129 0.000 0.927 33 T HN 0.495 nan 8.240 nan 0.000 0.448 34 M N 4.600 124.336 119.600 0.225 0.000 2.336 34 M HA 0.571 5.051 4.480 0.000 0.000 0.342 34 M C -1.659 174.719 176.300 0.129 0.000 1.128 34 M CA -0.848 54.527 55.300 0.125 0.000 1.016 34 M CB 0.629 33.235 32.600 0.009 0.000 1.665 34 M HN 0.418 nan 8.290 nan 0.000 0.445 35 I N 5.810 126.437 120.570 0.094 0.000 2.354 35 I HA 0.327 4.497 4.170 0.000 0.000 0.286 35 I C -0.925 175.293 176.117 0.168 0.000 1.007 35 I CA -0.339 61.025 61.300 0.107 0.000 1.167 35 I CB 1.460 39.508 38.000 0.079 0.000 1.320 35 I HN 0.592 nan 8.210 nan 0.000 0.458 36 L N 8.167 129.523 121.223 0.222 0.000 2.282 36 L HA 0.674 5.014 4.340 0.000 0.000 0.288 36 L C -0.715 176.280 176.870 0.208 0.000 1.033 36 L CA -0.265 54.744 54.840 0.282 0.000 0.807 36 L CB 1.280 43.575 42.059 0.394 0.000 1.209 36 L HN 0.324 nan 8.230 nan 0.000 0.423 37 V N 4.656 124.678 119.914 0.181 0.000 2.472 37 V HA 0.479 4.600 4.120 0.000 0.000 0.290 37 V C -0.267 175.907 176.094 0.132 0.000 1.037 37 V CA -0.659 61.726 62.300 0.141 0.000 0.908 37 V CB 1.587 33.478 31.823 0.114 0.000 0.985 37 V HN 0.752 nan 8.190 nan 0.000 0.454 38 E N 2.782 123.060 120.200 0.131 0.000 2.191 38 E HA 0.670 5.020 4.350 0.000 0.000 0.263 38 E C -0.725 175.933 176.600 0.098 0.000 0.881 38 E CA -0.640 55.812 56.400 0.086 0.000 0.757 38 E CB 2.247 32.016 29.700 0.115 0.000 1.147 38 E HN 0.772 nan 8.360 nan 0.000 0.414 39 A N 3.566 126.389 122.820 0.005 0.000 2.258 39 A HA 0.448 4.769 4.320 0.000 0.000 0.316 39 A C -1.100 176.442 177.584 -0.069 0.000 1.279 39 A CA -0.595 51.463 52.037 0.035 0.000 0.876 39 A CB 0.148 19.161 19.000 0.021 0.000 1.170 39 A HN 0.602 nan 8.150 nan 0.000 0.520 40 H N 0.706 119.789 119.070 0.021 0.000 2.467 40 H HA 0.661 5.217 4.556 0.000 0.000 0.326 40 H C 0.563 175.895 175.328 0.007 0.000 1.094 40 H CA 0.782 56.839 56.048 0.015 0.000 1.253 40 H CB 1.845 31.618 29.762 0.018 0.000 1.439 40 H HN 0.992 nan 8.280 nan 0.000 0.479 41 G N 0.122 108.974 108.800 0.086 0.000 2.691 41 G HA2 0.418 4.378 3.960 0.000 0.000 0.298 41 G HA3 0.418 4.378 3.960 0.000 0.000 0.298 41 G C 0.288 175.204 174.900 0.028 0.000 1.471 41 G CA -0.258 44.872 45.100 0.050 0.000 0.912 41 G HN 0.911 nan 8.290 nan 0.000 0.553 42 G N -0.550 108.264 108.800 0.024 0.000 2.258 42 G HA2 0.236 4.196 3.960 0.000 0.000 0.274 42 G HA3 0.236 4.196 3.960 0.000 0.000 0.274 42 G C 1.738 176.648 174.900 0.017 0.000 1.021 42 G CA 1.549 46.657 45.100 0.013 0.000 0.798 42 G HN 2.804 nan 8.290 nan 0.000 0.507 43 G N -2.163 106.656 108.800 0.032 0.000 2.159 43 G HA2 -0.234 3.726 3.960 0.000 0.000 0.256 43 G HA3 -0.234 3.726 3.960 0.000 0.000 0.256 43 G C 0.523 175.440 174.900 0.028 0.000 0.977 43 G CA 1.162 46.282 45.100 0.034 0.000 0.652 43 G HN 0.973 nan 8.290 nan 0.000 0.531 44 R N -0.379 120.130 120.500 0.015 0.000 2.923 44 R HA 0.804 5.145 4.340 0.000 0.000 0.252 44 R C -0.279 175.985 176.300 -0.060 0.000 1.130 44 R CA -0.835 55.257 56.100 -0.013 0.000 1.043 44 R CB 1.393 31.682 30.300 -0.020 0.000 1.205 44 R HN 0.281 nan 8.270 nan 0.000 0.495 45 K N -0.209 120.124 120.400 -0.112 0.000 2.443 45 K HA 0.560 4.881 4.320 0.000 0.000 0.252 45 K C -0.868 175.640 176.600 -0.153 0.000 0.933 45 K CA -0.514 55.626 56.287 -0.245 0.000 0.792 45 K CB 2.071 34.371 32.500 -0.333 0.000 1.185 45 K HN 0.762 nan 8.250 nan 0.000 0.425 46 G N 2.906 111.621 108.800 -0.142 0.000 2.448 46 G HA2 0.619 4.580 3.960 0.000 0.000 0.324 46 G HA3 0.619 4.580 3.960 0.000 0.000 0.324 46 G C -1.386 173.478 174.900 -0.061 0.000 1.203 46 G CA -0.779 44.275 45.100 -0.077 0.000 0.954 46 G HN 0.505 nan 8.290 nan 0.000 0.480 47 L N -0.068 121.129 121.223 -0.043 0.000 2.354 47 L HA 1.038 5.378 4.340 0.000 0.000 0.269 47 L C 0.040 176.913 176.870 0.006 0.000 1.005 47 L CA -1.194 53.645 54.840 -0.001 0.000 0.819 47 L CB 2.002 44.064 42.059 0.005 0.000 1.311 47 L HN 0.866 nan 8.230 nan 0.000 0.423 48 G N 0.814 109.652 108.800 0.064 0.000 2.704 48 G HA2 0.674 4.634 3.960 0.000 0.000 0.293 48 G HA3 0.674 4.634 3.960 0.000 0.000 0.293 48 G C -2.069 172.901 174.900 0.116 0.000 1.421 48 G CA -0.380 44.729 45.100 0.014 0.000 0.870 48 G HN 1.117 nan 8.290 nan 0.000 0.492 49 Y N -1.919 118.373 120.300 -0.013 0.000 2.655 49 Y HA 0.879 5.430 4.550 0.000 0.000 0.336 49 Y C -0.351 175.477 175.900 -0.120 0.000 1.154 49 Y CA -1.116 56.956 58.100 -0.046 0.000 1.055 49 Y CB 1.678 40.108 38.460 -0.051 0.000 1.295 49 Y HN 0.783 nan 8.280 nan 0.000 0.465 50 T N -0.308 114.266 114.554 0.034 0.000 2.812 50 T HA 0.648 4.999 4.350 0.000 0.000 0.294 50 T C -2.296 172.337 174.700 -0.110 0.000 1.159 50 T CA -0.622 61.451 62.100 -0.045 0.000 1.008 50 T CB 1.005 69.896 68.868 0.039 0.000 1.289 50 T HN 0.552 nan 8.240 nan 0.000 0.514 51 Y N 0.231 120.616 120.300 0.142 0.000 2.364 51 Y HA 0.736 5.286 4.550 0.001 0.000 0.340 51 Y C 0.880 176.846 175.900 0.110 0.000 0.975 51 Y CA 0.284 58.442 58.100 0.097 0.000 1.089 51 Y CB 2.233 40.705 38.460 0.021 0.000 1.192 51 Y HN 1.120 nan 8.280 nan 0.000 0.454 52 G N 1.516 110.464 108.800 0.246 0.000 2.367 52 G HA2 0.119 4.079 3.960 0.000 0.000 0.272 52 G HA3 0.119 4.079 3.960 0.000 0.000 0.272 52 G C -1.909 173.061 174.900 0.117 0.000 1.271 52 G CA -1.049 44.151 45.100 0.166 0.000 0.893 52 G HN 0.458 nan 8.290 nan 0.000 0.485 53 D N -0.498 119.949 120.400 0.079 0.000 2.304 53 D HA 0.397 5.037 4.640 0.000 0.000 0.247 53 D C 2.085 178.416 176.300 0.053 0.000 1.089 53 D CA 0.449 54.484 54.000 0.060 0.000 0.910 53 D CB 1.761 42.585 40.800 0.039 0.000 1.199 53 D HN 0.873 nan 8.370 nan 0.000 0.426 54 V N 1.211 121.152 119.914 0.045 0.000 2.527 54 V HA -0.267 3.854 4.120 0.000 0.000 0.255 54 V C 1.889 178.005 176.094 0.036 0.000 1.081 54 V CA 2.059 64.378 62.300 0.031 0.000 1.092 54 V CB -1.540 30.293 31.823 0.017 0.000 0.673 54 V HN 0.602 nan 8.190 nan 0.000 0.470 55 S N 0.296 116.020 115.700 0.039 0.000 2.440 55 S HA -0.145 4.326 4.470 0.000 0.000 0.238 55 S C 1.812 176.459 174.600 0.079 0.000 1.010 55 S CA 1.408 59.640 58.200 0.053 0.000 0.972 55 S CB -0.834 62.394 63.200 0.047 0.000 0.774 55 S HN 0.505 nan 8.310 nan 0.000 0.501 56 V N 2.401 122.347 119.914 0.054 0.000 2.324 56 V HA -0.151 3.969 4.120 0.000 0.000 0.250 56 V C 2.876 179.037 176.094 0.111 0.000 1.060 56 V CA 1.990 64.323 62.300 0.054 0.000 1.042 56 V CB -1.686 30.153 31.823 0.028 0.000 0.650 56 V HN 0.671 nan 8.190 nan 0.000 0.450 57 G N -0.421 108.428 108.800 0.082 0.000 2.408 57 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 57 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 57 G C 1.660 176.610 174.900 0.084 0.000 1.150 57 G CA 0.827 45.973 45.100 0.076 0.000 0.776 57 G HN 0.426 nan 8.290 nan 0.000 0.542 58 R N 0.063 120.612 120.500 0.081 0.000 2.081 58 R HA 0.014 4.355 4.340 0.000 0.000 0.235 58 R C 2.102 178.454 176.300 0.086 0.000 1.131 58 R CA 1.240 57.379 56.100 0.065 0.000 0.960 58 R CB -0.931 29.399 30.300 0.051 0.000 0.856 58 R HN 0.368 nan 8.270 nan 0.000 0.436 59 F N -0.266 119.679 119.950 -0.009 0.000 2.134 59 F HA -0.187 4.341 4.527 0.000 0.000 0.299 59 F C 1.858 177.652 175.800 -0.010 0.000 1.097 59 F CA 1.467 59.458 58.000 -0.015 0.000 1.264 59 F CB -0.149 38.837 39.000 -0.022 0.000 1.001 59 F HN -0.140 nan 8.300 nan 0.000 0.479 60 V N 0.607 120.701 119.914 0.300 0.000 2.252 60 V HA -0.357 3.763 4.120 0.000 0.000 0.249 60 V C 2.180 178.312 176.094 0.064 0.000 1.056 60 V CA 2.471 64.880 62.300 0.182 0.000 1.022 60 V CB -0.807 31.100 31.823 0.141 0.000 0.641 60 V HN 0.367 nan 8.190 nan 0.000 0.445 61 E N -0.254 119.971 120.200 0.041 0.000 2.077 61 E HA -0.211 4.139 4.350 0.000 0.000 0.193 61 E C 2.421 178.994 176.600 -0.045 0.000 0.989 61 E CA 1.633 58.034 56.400 0.002 0.000 0.800 61 E CB -0.256 29.447 29.700 0.005 0.000 0.746 61 E HN 0.533 nan 8.360 nan 0.000 0.452 62 S N -0.423 115.223 115.700 -0.091 0.000 2.377 62 S HA -0.056 4.414 4.470 0.000 0.000 0.223 62 S C 1.672 176.149 174.600 -0.204 0.000 1.030 62 S CA 0.857 58.970 58.200 -0.144 0.000 0.970 62 S CB 0.191 63.285 63.200 -0.177 0.000 0.830 62 S HN -0.019 nan 8.310 nan 0.000 0.473 63 K N 0.431 120.646 120.400 -0.309 0.000 2.313 63 K HA 0.383 4.703 4.320 0.000 0.000 0.197 63 K C 1.775 178.288 176.600 -0.145 0.000 1.061 63 K CA 0.384 56.475 56.287 -0.327 0.000 0.980 63 K CB -0.247 31.844 32.500 -0.682 0.000 0.888 63 K HN 0.368 nan 8.250 nan 0.000 0.502 64 L N -0.148 121.035 121.223 -0.067 0.000 2.467 64 L HA 0.218 4.558 4.340 0.000 0.000 0.213 64 L C 2.283 179.159 176.870 0.010 0.000 1.053 64 L CA 0.510 55.355 54.840 0.009 0.000 0.847 64 L CB -0.336 41.777 42.059 0.090 0.000 1.075 64 L HN -0.065 nan 8.230 nan 0.000 0.479 65 A N 0.959 123.783 122.820 0.007 0.000 1.908 65 A HA -0.167 4.154 4.320 0.000 0.000 0.218 65 A C 2.296 179.881 177.584 0.003 0.000 1.181 65 A CA 1.998 54.043 52.037 0.014 0.000 0.627 65 A CB -1.261 17.746 19.000 0.012 0.000 0.818 65 A HN 0.418 nan 8.150 nan 0.000 0.445 66 G N -1.079 107.712 108.800 -0.014 0.000 2.470 66 G HA2 -0.012 3.949 3.960 0.000 0.000 0.220 66 G HA3 -0.012 3.949 3.960 0.000 0.000 0.220 66 G C 1.377 176.269 174.900 -0.013 0.000 1.121 66 G CA 1.225 46.315 45.100 -0.018 0.000 0.766 66 G HN 0.351 nan 8.290 nan 0.000 0.553 67 V N 0.917 120.824 119.914 -0.011 0.000 2.379 67 V HA 0.069 4.189 4.120 0.000 0.000 0.243 67 V C 3.193 179.290 176.094 0.005 0.000 1.035 67 V CA 1.649 63.946 62.300 -0.006 0.000 1.035 67 V CB -0.498 31.320 31.823 -0.008 0.000 0.673 67 V HN 0.411 nan 8.190 nan 0.000 0.457 68 A N -0.392 122.436 122.820 0.013 0.000 1.898 68 A HA -0.130 4.191 4.320 0.000 0.000 0.216 68 A C 1.195 178.788 177.584 0.014 0.000 1.181 68 A CA 0.754 52.803 52.037 0.019 0.000 0.620 68 A CB -0.414 18.606 19.000 0.033 0.000 0.819 68 A HN 0.619 nan 8.150 nan 0.000 0.442 69 E N -1.285 118.923 120.200 0.013 0.000 2.415 69 E HA 0.359 4.709 4.350 0.000 0.000 0.263 69 E C 1.057 177.660 176.600 0.004 0.000 0.995 69 E CA 0.452 56.859 56.400 0.012 0.000 0.915 69 E CB 0.176 29.882 29.700 0.010 0.000 0.951 69 E HN 0.629 nan 8.360 nan 0.000 0.449 70 G N 2.716 111.519 108.800 0.004 0.000 2.225 70 G HA2 -0.311 3.650 3.960 0.000 0.000 0.254 70 G HA3 -0.311 3.650 3.960 0.000 0.000 0.254 70 G C 0.419 175.317 174.900 -0.003 0.000 0.988 70 G CA 0.255 45.355 45.100 -0.000 0.000 0.625 70 G HN 0.499 nan 8.290 nan 0.000 0.527 71 S N 0.687 116.385 115.700 -0.004 0.000 2.593 71 S HA 0.414 4.884 4.470 0.000 0.000 0.269 71 S C 0.188 174.777 174.600 -0.019 0.000 1.334 71 S CA 0.020 58.214 58.200 -0.010 0.000 1.015 71 S CB 1.276 64.471 63.200 -0.009 0.000 0.912 71 S HN 0.465 nan 8.310 nan 0.000 0.541 72 D N 0.849 121.234 120.400 -0.026 0.000 2.434 72 D HA 0.153 4.793 4.640 0.000 0.000 0.252 72 D C 0.586 176.851 176.300 -0.057 0.000 1.185 72 D CA -0.135 53.843 54.000 -0.037 0.000 0.886 72 D CB 0.716 41.492 40.800 -0.040 0.000 1.148 72 D HN 0.513 nan 8.370 nan 0.000 0.483 73 A N 4.210 126.997 122.820 -0.055 0.000 2.259 73 A HA 0.079 4.399 4.320 0.000 0.000 0.208 73 A C 1.682 179.200 177.584 -0.110 0.000 1.201 73 A CA 0.117 52.111 52.037 -0.072 0.000 0.824 73 A CB -0.179 18.794 19.000 -0.045 0.000 0.838 73 A HN 0.697 nan 8.150 nan 0.000 0.485 74 L N -0.967 120.188 121.223 -0.114 0.000 2.693 74 L HA 0.215 4.556 4.340 0.000 0.000 0.235 74 L C 0.122 176.870 176.870 -0.203 0.000 1.127 74 L CA 0.185 54.942 54.840 -0.138 0.000 0.914 74 L CB 0.604 42.611 42.059 -0.086 0.000 1.193 74 L HN 0.162 nan 8.230 nan 0.000 0.502 75 S N -0.284 115.282 115.700 -0.223 0.000 2.317 75 S HA 0.255 4.726 4.470 0.000 0.000 0.144 75 S C -1.895 172.529 174.600 -0.293 0.000 1.660 75 S CA -0.641 57.409 58.200 -0.249 0.000 1.273 75 S CB 1.128 64.250 63.200 -0.130 0.000 1.330 75 S HN -0.075 nan 8.310 nan 0.000 0.395 76 P HA -0.062 nan 4.420 nan 0.000 0.216 76 P C -1.706 175.492 177.300 -0.170 0.000 1.150 76 P CA 1.149 63.974 63.100 -0.459 0.000 0.843 76 P CB -0.702 30.364 31.700 -1.056 0.000 0.787 77 P HA -0.108 nan 4.420 nan 0.000 0.218 77 P C 1.450 178.829 177.300 0.132 0.000 1.149 77 P CA 1.720 64.844 63.100 0.040 0.000 0.817 77 P CB -0.605 31.105 31.700 0.016 0.000 0.785 78 A N -0.523 122.326 122.820 0.048 0.000 1.940 78 A HA -0.178 4.143 4.320 0.000 0.000 0.219 78 A C 2.260 179.902 177.584 0.097 0.000 1.176 78 A CA 1.915 53.992 52.037 0.067 0.000 0.631 78 A CB -1.725 17.282 19.000 0.012 0.000 0.814 78 A HN 0.053 nan 8.150 nan 0.000 0.446 79 V N -2.434 117.531 119.914 0.085 0.000 2.379 79 V HA -0.230 3.891 4.120 0.000 0.000 0.245 79 V C 2.138 178.328 176.094 0.161 0.000 1.044 79 V CA 1.618 63.972 62.300 0.089 0.000 1.036 79 V CB -1.056 30.799 31.823 0.053 0.000 0.664 79 V HN 0.848 nan 8.190 nan 0.000 0.453 80 W N 1.300 122.610 121.300 0.016 0.000 2.318 80 W HA -0.272 4.388 4.660 0.000 0.000 0.313 80 W C 2.479 179.027 176.519 0.047 0.000 1.221 80 W CA 2.483 59.857 57.345 0.049 0.000 1.266 80 W CB -0.304 29.202 29.460 0.076 0.000 1.150 80 W HN 0.188 nan 8.180 nan 0.000 0.496 81 A N 0.478 123.556 122.820 0.430 0.000 1.972 81 A HA -0.192 4.129 4.320 0.000 0.000 0.219 81 A C 1.949 179.557 177.584 0.041 0.000 1.169 81 A CA 1.879 54.062 52.037 0.245 0.000 0.635 81 A CB -0.694 18.477 19.000 0.285 0.000 0.810 81 A HN 0.455 nan 8.150 nan 0.000 0.446 82 R N -1.179 119.348 120.500 0.045 0.000 2.119 82 R HA 0.098 4.438 4.340 0.000 0.000 0.222 82 R C 2.222 178.500 176.300 -0.037 0.000 1.088 82 R CA 1.292 57.395 56.100 0.005 0.000 0.984 82 R CB -0.310 30.001 30.300 0.018 0.000 0.884 82 R HN 0.516 nan 8.270 nan 0.000 0.447 83 M N 0.406 119.969 119.600 -0.062 0.000 2.117 83 M HA -0.185 4.295 4.480 0.000 0.000 0.262 83 M C 2.115 178.325 176.300 -0.150 0.000 1.065 83 M CA 1.528 56.774 55.300 -0.091 0.000 1.114 83 M CB -0.173 32.371 32.600 -0.092 0.000 1.361 83 M HN 0.082 nan 8.290 nan 0.000 0.408 84 Q N -0.091 119.539 119.800 -0.285 0.000 2.124 84 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 84 Q C 2.208 178.122 176.000 -0.144 0.000 0.977 84 Q CA 1.825 57.446 55.803 -0.304 0.000 0.850 84 Q CB -0.559 27.878 28.738 -0.503 0.000 0.901 84 Q HN 0.575 nan 8.270 nan 0.000 0.429 85 A N 1.088 123.849 122.820 -0.097 0.000 1.898 85 A HA -0.012 4.308 4.320 0.000 0.000 0.216 85 A C 2.349 179.909 177.584 -0.039 0.000 1.181 85 A CA 1.681 53.690 52.037 -0.048 0.000 0.620 85 A CB -0.629 18.357 19.000 -0.024 0.000 0.819 85 A HN 0.351 nan 8.150 nan 0.000 0.442 86 A N 0.601 123.395 122.820 -0.043 0.000 1.972 86 A HA -0.067 4.254 4.320 0.000 0.000 0.219 86 A C 1.866 179.430 177.584 -0.033 0.000 1.169 86 A CA 1.422 53.436 52.037 -0.038 0.000 0.635 86 A CB -0.784 18.190 19.000 -0.042 0.000 0.810 86 A HN 1.030 nan 8.150 nan 0.000 0.446 87 I N -3.615 116.947 120.570 -0.012 0.000 3.812 87 I HA 0.219 4.389 4.170 0.000 0.000 0.319 87 I C 1.648 177.782 176.117 0.028 0.000 1.353 87 I CA 0.077 61.400 61.300 0.038 0.000 1.170 87 I CB -0.161 37.950 38.000 0.186 0.000 1.057 87 I HN 0.225 nan 8.210 nan 0.000 0.411 88 R N 1.838 122.336 120.500 -0.003 0.000 2.083 88 R HA -0.177 4.163 4.340 0.000 0.000 0.237 88 R C 1.621 177.922 176.300 0.002 0.000 1.137 88 R CA 2.295 58.392 56.100 -0.004 0.000 0.951 88 R CB -0.093 30.201 30.300 -0.009 0.000 0.851 88 R HN 0.467 nan 8.270 nan 0.000 0.434 89 N N 0.315 119.013 118.700 -0.003 0.000 2.250 89 N HA -0.059 4.681 4.740 0.000 0.000 0.181 89 N C 1.506 177.022 175.510 0.010 0.000 1.017 89 N CA 1.277 54.325 53.050 -0.003 0.000 0.866 89 N CB -0.341 38.138 38.487 -0.014 0.000 0.985 89 N HN 0.286 nan 8.380 nan 0.000 0.429 90 A N 0.242 123.073 122.820 0.018 0.000 2.070 90 A HA 0.281 4.601 4.320 0.000 0.000 0.220 90 A C 0.934 178.622 177.584 0.173 0.000 1.159 90 A CA 1.173 53.248 52.037 0.063 0.000 0.656 90 A CB -0.573 18.406 19.000 -0.035 0.000 0.800 90 A HN 0.380 nan 8.150 nan 0.000 0.453 91 G N -1.519 107.347 108.800 0.109 0.000 3.224 91 G HA2 -0.070 3.890 3.960 0.000 0.000 0.684 91 G HA3 -0.070 3.890 3.960 0.000 0.000 0.684 91 G C 0.136 175.027 174.900 -0.016 0.000 1.180 91 G CA 0.157 45.278 45.100 0.035 0.000 1.099 91 G HN 0.401 nan 8.290 nan 0.000 0.476 92 R N 1.537 122.007 120.500 -0.049 0.000 2.073 92 R HA 0.080 4.420 4.340 0.000 0.000 0.229 92 R C -1.017 175.185 176.300 -0.162 0.000 1.120 92 R CA 1.713 57.766 56.100 -0.078 0.000 0.967 92 R CB -0.247 30.027 30.300 -0.044 0.000 0.862 92 R HN 0.539 nan 8.270 nan 0.000 0.436 93 P HA 0.265 nan 4.420 nan 0.000 0.280 93 P C 0.072 176.855 177.300 -0.862 0.000 1.272 93 P CA 0.346 63.176 63.100 -0.450 0.000 0.819 93 P CB 1.343 32.795 31.700 -0.414 0.000 1.122 94 G N -0.360 107.373 108.800 -1.777 0.000 2.523 94 G HA2 -0.315 3.646 3.960 0.000 0.000 0.271 94 G HA3 -0.315 3.646 3.960 0.000 0.000 0.271 94 G C 0.957 175.396 174.900 -0.767 0.000 1.146 94 G CA 0.247 44.381 45.100 -1.609 0.000 0.961 94 G HN 0.342 nan 8.290 nan 0.000 0.549 95 V N 2.110 121.717 119.914 -0.512 0.000 2.282 95 V HA -0.097 4.024 4.120 0.000 0.000 0.249 95 V C 3.283 178.976 176.094 -0.668 0.000 1.057 95 V CA 3.592 65.644 62.300 -0.413 0.000 1.032 95 V CB -1.392 30.243 31.823 -0.313 0.000 0.645 95 V HN 1.535 nan 8.190 nan 0.000 0.447 96 G N -0.660 107.579 108.800 -0.935 0.000 2.440 96 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 96 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 96 G C 1.730 176.306 174.900 -0.541 0.000 1.154 96 G CA 1.142 45.498 45.100 -1.240 0.000 0.767 96 G HN 0.650 nan 8.290 nan 0.000 0.552 97 A N 0.325 122.958 122.820 -0.311 0.000 1.929 97 A HA 0.164 4.484 4.320 0.000 0.000 0.216 97 A C 2.459 180.061 177.584 0.030 0.000 1.176 97 A CA 1.539 53.548 52.037 -0.047 0.000 0.628 97 A CB -0.284 18.825 19.000 0.181 0.000 0.816 97 A HN 0.382 nan 8.150 nan 0.000 0.444 98 M N -0.524 119.073 119.600 -0.006 0.000 2.132 98 M HA -0.119 4.361 4.480 0.000 0.000 0.263 98 M C 2.556 178.860 176.300 0.006 0.000 1.065 98 M CA 1.352 56.688 55.300 0.060 0.000 1.122 98 M CB -0.454 32.185 32.600 0.065 0.000 1.365 98 M HN 0.481 nan 8.290 nan 0.000 0.411 99 A N 0.127 122.891 122.820 -0.093 0.000 1.858 99 A HA -0.111 4.209 4.320 0.000 0.000 0.216 99 A C 2.232 179.843 177.584 0.045 0.000 1.190 99 A CA 1.715 53.739 52.037 -0.021 0.000 0.617 99 A CB -1.064 17.905 19.000 -0.052 0.000 0.827 99 A HN 0.285 nan 8.150 nan 0.000 0.443 100 V N 0.232 120.155 119.914 0.015 0.000 2.392 100 V HA -0.247 3.874 4.120 0.000 0.000 0.249 100 V C 2.791 178.961 176.094 0.126 0.000 1.059 100 V CA 2.337 64.665 62.300 0.046 0.000 1.051 100 V CB -0.889 30.895 31.823 -0.065 0.000 0.658 100 V HN 0.574 nan 8.190 nan 0.000 0.455 101 S N 0.290 116.067 115.700 0.128 0.000 2.356 101 S HA -0.195 4.276 4.470 0.000 0.000 0.223 101 S C 2.239 176.894 174.600 0.092 0.000 1.032 101 S CA 1.483 59.772 58.200 0.148 0.000 1.005 101 S CB -0.541 62.735 63.200 0.125 0.000 0.867 101 S HN 0.670 nan 8.310 nan 0.000 0.449 102 A N 1.364 124.220 122.820 0.061 0.000 1.858 102 A HA -0.058 4.262 4.320 0.000 0.000 0.216 102 A C 2.383 180.011 177.584 0.073 0.000 1.190 102 A CA 1.702 53.763 52.037 0.039 0.000 0.617 102 A CB -1.070 17.966 19.000 0.059 0.000 0.827 102 A HN 0.333 nan 8.150 nan 0.000 0.443 103 V N 0.589 120.563 119.914 0.099 0.000 2.287 103 V HA -0.307 3.814 4.120 0.000 0.000 0.248 103 V C 2.341 178.515 176.094 0.133 0.000 1.053 103 V CA 2.610 64.974 62.300 0.107 0.000 1.027 103 V CB -0.996 30.890 31.823 0.106 0.000 0.646 103 V HN 0.747 nan 8.190 nan 0.000 0.447 104 D N -0.082 120.436 120.400 0.197 0.000 2.123 104 D HA -0.177 4.463 4.640 0.000 0.000 0.196 104 D C 1.949 178.423 176.300 0.289 0.000 0.992 104 D CA 1.521 55.694 54.000 0.289 0.000 0.833 104 D CB -0.162 40.904 40.800 0.443 0.000 0.954 104 D HN 0.468 nan 8.370 nan 0.000 0.455 105 I N 0.336 121.011 120.570 0.175 0.000 2.226 105 I HA -0.230 3.940 4.170 0.000 0.000 0.245 105 I C 2.486 178.666 176.117 0.105 0.000 1.100 105 I CA 1.022 62.388 61.300 0.111 0.000 1.374 105 I CB -0.382 37.587 38.000 -0.051 0.000 1.057 105 I HN 0.069 nan 8.210 nan 0.000 0.413 106 A N 0.985 123.848 122.820 0.073 0.000 1.933 106 A HA -0.130 4.190 4.320 0.000 0.000 0.218 106 A C 2.292 179.905 177.584 0.049 0.000 1.175 106 A CA 1.340 53.406 52.037 0.048 0.000 0.628 106 A CB -0.768 18.262 19.000 0.051 0.000 0.814 106 A HN 0.393 nan 8.150 nan 0.000 0.444 107 L N -3.000 118.259 121.223 0.060 0.000 2.141 107 L HA -0.166 4.174 4.340 0.000 0.000 0.209 107 L C 2.504 179.343 176.870 -0.052 0.000 1.094 107 L CA 0.946 55.776 54.840 -0.015 0.000 0.763 107 L CB -0.418 41.610 42.059 -0.052 0.000 0.908 107 L HN 0.592 nan 8.230 nan 0.000 0.437 108 W N 0.557 121.845 121.300 -0.019 0.000 2.418 108 W HA -0.179 4.482 4.660 0.000 0.000 0.292 108 W C 2.411 178.897 176.519 -0.054 0.000 1.213 108 W CA 1.076 58.400 57.345 -0.036 0.000 1.283 108 W CB -0.097 29.337 29.460 -0.044 0.000 1.119 108 W HN 0.180 nan 8.180 nan 0.000 0.542 109 D N 0.220 120.718 120.400 0.163 0.000 2.097 109 D HA -0.205 4.435 4.640 0.000 0.000 0.195 109 D C 2.041 178.350 176.300 0.016 0.000 0.989 109 D CA 1.331 55.357 54.000 0.044 0.000 0.827 109 D CB -0.407 40.381 40.800 -0.019 0.000 0.966 109 D HN 0.031 nan 8.370 nan 0.000 0.456 110 L N 0.975 122.197 121.223 -0.002 0.000 2.017 110 L HA -0.129 4.211 4.340 0.000 0.000 0.208 110 L C 2.251 179.102 176.870 -0.031 0.000 1.073 110 L CA 1.916 56.738 54.840 -0.029 0.000 0.745 110 L CB -0.724 41.310 42.059 -0.041 0.000 0.894 110 L HN -0.044 nan 8.230 nan 0.000 0.432 111 K N -0.475 119.895 120.400 -0.051 0.000 2.001 111 K HA -0.251 4.069 4.320 0.000 0.000 0.214 111 K C 1.989 178.590 176.600 0.001 0.000 1.050 111 K CA 1.825 58.070 56.287 -0.070 0.000 0.934 111 K CB -0.444 31.939 32.500 -0.195 0.000 0.718 111 K HN 0.460 nan 8.250 nan 0.000 0.443 112 A N 1.528 124.387 122.820 0.065 0.000 1.892 112 A HA -0.205 4.115 4.320 0.000 0.000 0.218 112 A C 2.169 179.769 177.584 0.027 0.000 1.188 112 A CA 1.863 53.943 52.037 0.071 0.000 0.631 112 A CB -0.554 18.501 19.000 0.092 0.000 0.822 112 A HN 0.424 nan 8.150 nan 0.000 0.447 113 R N -0.842 119.663 120.500 0.009 0.000 2.115 113 R HA 0.055 4.396 4.340 0.000 0.000 0.230 113 R C 1.961 178.258 176.300 -0.005 0.000 1.111 113 R CA 1.127 57.225 56.100 -0.004 0.000 0.976 113 R CB -0.412 29.878 30.300 -0.018 0.000 0.870 113 R HN 0.514 nan 8.270 nan 0.000 0.445 114 L N 0.470 121.688 121.223 -0.009 0.000 2.201 114 L HA -0.132 4.208 4.340 0.000 0.000 0.212 114 L C 1.903 178.770 176.870 -0.005 0.000 1.105 114 L CA 0.993 55.827 54.840 -0.010 0.000 0.775 114 L CB -0.153 41.895 42.059 -0.019 0.000 0.913 114 L HN 0.196 nan 8.230 nan 0.000 0.440 115 L N -0.644 120.580 121.223 0.001 0.000 2.558 115 L HA 0.164 4.504 4.340 0.000 0.000 0.225 115 L C 1.403 178.279 176.870 0.009 0.000 1.128 115 L CA 0.422 55.266 54.840 0.006 0.000 0.868 115 L CB -0.537 41.530 42.059 0.014 0.000 1.006 115 L HN 0.437 nan 8.230 nan 0.000 0.454 116 G N 1.323 110.129 108.800 0.009 0.000 2.249 116 G HA2 -0.279 3.681 3.960 0.000 0.000 0.273 116 G HA3 -0.279 3.681 3.960 0.000 0.000 0.273 116 G C -0.092 174.817 174.900 0.016 0.000 1.036 116 G CA 0.169 45.275 45.100 0.010 0.000 0.824 116 G HN 0.267 nan 8.290 nan 0.000 0.504 117 L N -0.512 120.725 121.223 0.022 0.000 2.342 117 L HA 0.556 4.896 4.340 0.000 0.000 0.271 117 L C -2.126 174.765 176.870 0.035 0.000 1.008 117 L CA -2.783 52.075 54.840 0.030 0.000 0.818 117 L CB 2.119 44.200 42.059 0.037 0.000 1.296 117 L HN -0.180 nan 8.230 nan 0.000 0.427 118 P HA -0.012 nan 4.420 nan 0.000 0.268 118 P C 0.412 177.753 177.300 0.068 0.000 1.205 118 P CA -0.322 62.813 63.100 0.058 0.000 0.771 118 P CB 0.689 32.438 31.700 0.081 0.000 0.858 119 L N 4.378 125.630 121.223 0.050 0.000 2.079 119 L HA -0.201 4.139 4.340 0.000 0.000 0.210 119 L C 2.059 178.974 176.870 0.076 0.000 1.081 119 L CA 2.355 57.225 54.840 0.050 0.000 0.752 119 L CB -1.540 40.487 42.059 -0.053 0.000 0.896 119 L HN 0.417 nan 8.230 nan 0.000 0.433 120 A N -1.178 121.735 122.820 0.154 0.000 2.019 120 A HA -0.179 4.142 4.320 0.000 0.000 0.219 120 A C 1.833 179.437 177.584 0.034 0.000 1.164 120 A CA 1.779 53.868 52.037 0.087 0.000 0.644 120 A CB -0.632 18.419 19.000 0.085 0.000 0.805 120 A HN 0.594 nan 8.150 nan 0.000 0.449 121 D N -0.535 119.891 120.400 0.044 0.000 2.350 121 D HA 0.209 4.849 4.640 0.000 0.000 0.213 121 D C 1.564 177.883 176.300 0.032 0.000 1.031 121 D CA 0.890 54.904 54.000 0.024 0.000 0.861 121 D CB 0.136 40.950 40.800 0.023 0.000 0.926 121 D HN 0.444 nan 8.370 nan 0.000 0.520 122 A N 0.242 123.097 122.820 0.058 0.000 2.251 122 A HA 0.222 4.542 4.320 0.000 0.000 0.209 122 A C 0.842 178.480 177.584 0.091 0.000 1.187 122 A CA 0.104 52.205 52.037 0.106 0.000 0.823 122 A CB 0.074 19.187 19.000 0.189 0.000 0.846 122 A HN 0.096 nan 8.150 nan 0.000 0.486 123 L N -0.238 120.976 121.223 -0.015 0.000 2.319 123 L HA 0.427 4.768 4.340 0.000 0.000 0.267 123 L C -2.510 174.314 176.870 -0.076 0.000 1.011 123 L CA -2.615 52.163 54.840 -0.103 0.000 0.818 123 L CB 1.769 43.711 42.059 -0.195 0.000 1.316 123 L HN -0.074 nan 8.230 nan 0.000 0.432 124 P HA 0.112 nan 4.420 nan 0.000 0.266 124 P C -1.185 176.032 177.300 -0.139 0.000 1.195 124 P CA -0.064 62.960 63.100 -0.127 0.000 0.768 124 P CB 0.427 32.065 31.700 -0.104 0.000 0.838 125 R N 2.710 123.073 120.500 -0.227 0.000 2.483 125 R HA 0.365 4.705 4.340 0.000 0.000 0.303 125 R C -0.312 175.815 176.300 -0.288 0.000 0.987 125 R CA -0.381 55.625 56.100 -0.158 0.000 0.881 125 R CB 0.400 30.645 30.300 -0.091 0.000 1.177 125 R HN 0.299 nan 8.270 nan 0.000 0.451 126 F N 1.309 121.091 119.950 -0.280 0.000 2.582 126 F HA 0.250 4.778 4.527 0.001 0.000 0.290 126 F C 0.544 176.042 175.800 -0.503 0.000 1.115 126 F CA 0.146 57.870 58.000 -0.458 0.000 1.445 126 F CB 0.483 39.040 39.000 -0.739 0.000 1.126 126 F HN 0.341 nan 8.300 nan 0.000 0.574 127 H N -1.071 118.089 119.070 0.150 0.000 2.589 127 H HA 0.507 5.063 4.556 0.001 0.000 0.351 127 H C 0.754 176.100 175.328 0.030 0.000 1.074 127 H CA -0.333 55.763 56.048 0.080 0.000 1.203 127 H CB 1.682 31.484 29.762 0.067 0.000 1.558 127 H HN 0.008 nan 8.280 nan 0.000 0.522 128 A N 2.761 125.659 122.820 0.130 0.000 1.929 128 A HA -0.055 4.265 4.320 0.000 0.000 0.216 128 A C 0.723 178.333 177.584 0.043 0.000 1.176 128 A CA 1.205 53.279 52.037 0.061 0.000 0.628 128 A CB -0.065 18.958 19.000 0.037 0.000 0.816 128 A HN 0.822 nan 8.150 nan 0.000 0.444 129 E N -1.495 118.736 120.200 0.052 0.000 2.446 129 E HA 0.568 4.918 4.350 0.000 0.000 0.276 129 E C -1.139 175.455 176.600 -0.010 0.000 0.969 129 E CA -0.927 55.475 56.400 0.004 0.000 0.800 129 E CB 1.801 31.490 29.700 -0.019 0.000 1.341 129 E HN 0.293 nan 8.360 nan 0.000 0.460 130 V N -2.369 117.515 119.914 -0.049 0.000 2.656 130 V HA 0.599 4.719 4.120 0.000 0.000 0.307 130 V C -2.801 173.245 176.094 -0.080 0.000 1.051 130 V CA -2.767 59.480 62.300 -0.090 0.000 0.893 130 V CB 1.127 32.911 31.823 -0.065 0.000 0.999 130 V HN 0.564 nan 8.190 nan 0.000 0.426 131 P HA 0.416 nan 4.420 nan 0.000 0.275 131 P C -0.370 176.916 177.300 -0.024 0.000 1.227 131 P CA -0.077 62.995 63.100 -0.046 0.000 0.781 131 P CB 1.301 32.989 31.700 -0.020 0.000 0.906 132 V N 1.110 120.981 119.914 -0.072 0.000 2.960 132 V HA 0.778 4.898 4.120 0.000 0.000 0.315 132 V C -1.207 174.802 176.094 -0.143 0.000 1.087 132 V CA -1.171 61.047 62.300 -0.135 0.000 0.982 132 V CB 1.658 33.346 31.823 -0.226 0.000 1.039 132 V HN 0.542 nan 8.190 nan 0.000 0.437 133 Y N 0.653 120.758 120.300 -0.324 0.000 2.429 133 Y HA 0.918 5.469 4.550 0.000 0.000 0.342 133 Y C 0.312 175.946 175.900 -0.444 0.000 1.004 133 Y CA -0.873 56.980 58.100 -0.411 0.000 1.075 133 Y CB 1.436 39.542 38.460 -0.590 0.000 1.214 133 Y HN 1.008 nan 8.280 nan 0.000 0.455 134 G N 1.290 109.780 108.800 -0.518 0.000 2.380 134 G HA2 0.385 4.345 3.960 0.000 0.000 0.262 134 G HA3 0.385 4.345 3.960 0.000 0.000 0.262 134 G C -0.887 173.474 174.900 -0.899 0.000 1.243 134 G CA -0.530 43.827 45.100 -1.238 0.000 0.865 134 G HN 0.698 nan 8.290 nan 0.000 0.513 135 S N 1.542 116.749 115.700 -0.823 0.000 2.756 135 S HA 0.775 5.245 4.470 0.000 0.000 0.303 135 S C 0.537 175.199 174.600 0.103 0.000 1.135 135 S CA 0.220 58.331 58.200 -0.149 0.000 1.066 135 S CB 0.814 63.977 63.200 -0.061 0.000 1.008 135 S HN 1.263 nan 8.310 nan 0.000 0.482 136 G N 2.258 111.121 108.800 0.106 0.000 3.403 136 G HA2 0.472 4.432 3.960 0.000 0.000 0.156 136 G HA3 0.472 4.432 3.960 0.000 0.000 0.156 136 G C 0.581 174.995 174.900 -0.811 0.000 1.210 136 G CA 0.378 45.192 45.100 -0.478 0.000 1.452 136 G HN 1.738 nan 8.290 nan 0.000 0.720 137 G N 0.384 108.843 108.800 -0.569 0.000 2.314 137 G HA2 -0.146 3.814 3.960 0.000 0.000 0.292 137 G HA3 -0.146 3.814 3.960 0.000 0.000 0.292 137 G C 0.129 174.639 174.900 -0.650 0.000 1.059 137 G CA 0.393 45.239 45.100 -0.423 0.000 0.982 137 G HN 0.707 nan 8.290 nan 0.000 0.505 138 F N -0.271 119.165 119.950 -0.857 0.000 2.490 138 F HA 0.336 4.863 4.527 0.000 0.000 0.336 138 F C 2.260 177.811 175.800 -0.414 0.000 1.178 138 F CA 0.511 58.151 58.000 -0.600 0.000 1.301 138 F CB 0.407 38.997 39.000 -0.682 0.000 1.175 138 F HN 0.145 nan 8.300 nan 0.000 0.593 139 T N -3.518 111.024 114.554 -0.020 0.000 3.072 139 T HA -0.111 4.239 4.350 0.000 0.000 0.266 139 T C 1.669 176.388 174.700 0.031 0.000 1.127 139 T CA 0.834 62.930 62.100 -0.007 0.000 1.107 139 T CB -0.541 68.334 68.868 0.011 0.000 0.910 139 T HN 0.585 nan 8.240 nan 0.000 0.513 140 S N -0.336 115.391 115.700 0.045 0.000 2.489 140 S HA 0.070 4.540 4.470 0.000 0.000 0.228 140 S C 0.237 175.042 174.600 0.342 0.000 0.995 140 S CA -0.435 57.855 58.200 0.149 0.000 0.934 140 S CB -0.660 62.607 63.200 0.112 0.000 0.771 140 S HN 0.405 nan 8.310 nan 0.000 0.522 141 Y N 3.545 123.894 120.300 0.082 0.000 2.377 141 Y HA 0.458 5.008 4.550 0.000 0.000 0.330 141 Y C -2.176 173.701 175.900 -0.039 0.000 1.108 141 Y CA -3.330 54.745 58.100 -0.041 0.000 1.308 141 Y CB -0.501 37.893 38.460 -0.111 0.000 1.216 141 Y HN 0.139 nan 8.280 nan 0.000 0.518 142 P HA 0.059 nan 4.420 nan 0.000 0.271 142 P C 0.976 178.273 177.300 -0.004 0.000 1.233 142 P CA -0.126 62.988 63.100 0.024 0.000 0.789 142 P CB 0.882 32.571 31.700 -0.019 0.000 0.951 143 L N 0.212 121.432 121.223 -0.005 0.000 2.042 143 L HA -0.202 4.139 4.340 0.000 0.000 0.210 143 L C 2.673 179.512 176.870 -0.051 0.000 1.076 143 L CA 1.653 56.485 54.840 -0.014 0.000 0.749 143 L CB -0.588 41.468 42.059 -0.006 0.000 0.893 143 L HN 0.443 nan 8.230 nan 0.000 0.432 144 R N 0.534 120.990 120.500 -0.074 0.000 2.080 144 R HA -0.238 4.103 4.340 0.000 0.000 0.236 144 R C 2.503 178.703 176.300 -0.167 0.000 1.137 144 R CA 1.936 57.973 56.100 -0.105 0.000 0.943 144 R CB -0.272 29.966 30.300 -0.103 0.000 0.846 144 R HN 0.185 nan 8.270 nan 0.000 0.431 145 R N 0.278 120.633 120.500 -0.241 0.000 2.091 145 R HA -0.179 4.161 4.340 0.000 0.000 0.238 145 R C 2.391 178.495 176.300 -0.326 0.000 1.136 145 R CA 1.753 57.601 56.100 -0.421 0.000 0.959 145 R CB -0.454 29.398 30.300 -0.747 0.000 0.856 145 R HN 0.327 nan 8.270 nan 0.000 0.437 146 L N 1.297 122.451 121.223 -0.114 0.000 1.989 146 L HA -0.231 4.109 4.340 0.000 0.000 0.211 146 L C 2.161 178.984 176.870 -0.078 0.000 1.071 146 L CA 1.904 56.753 54.840 0.016 0.000 0.749 146 L CB -0.522 41.566 42.059 0.048 0.000 0.890 146 L HN 0.269 nan 8.230 nan 0.000 0.431 147 Q N -0.708 119.039 119.800 -0.088 0.000 2.124 147 Q HA -0.239 4.102 4.340 0.000 0.000 0.202 147 Q C 2.156 178.076 176.000 -0.133 0.000 0.977 147 Q CA 1.964 57.713 55.803 -0.090 0.000 0.850 147 Q CB -0.177 28.518 28.738 -0.072 0.000 0.901 147 Q HN 0.656 nan 8.270 nan 0.000 0.429 148 E N 0.545 120.638 120.200 -0.178 0.000 2.077 148 E HA -0.242 4.108 4.350 0.000 0.000 0.193 148 E C 2.036 178.452 176.600 -0.306 0.000 0.989 148 E CA 1.030 57.298 56.400 -0.219 0.000 0.800 148 E CB -0.007 29.548 29.700 -0.241 0.000 0.746 148 E HN 0.316 nan 8.360 nan 0.000 0.452 149 Q N 0.479 120.048 119.800 -0.385 0.000 2.079 149 Q HA -0.134 4.206 4.340 0.000 0.000 0.200 149 Q C 2.213 177.779 176.000 -0.723 0.000 0.974 149 Q CA 0.936 56.353 55.803 -0.644 0.000 0.840 149 Q CB 0.120 28.483 28.738 -0.625 0.000 0.898 149 Q HN 0.271 nan 8.270 nan 0.000 0.430 150 L N -0.699 120.323 121.223 -0.336 0.000 2.072 150 L HA 0.008 4.348 4.340 0.000 0.000 0.205 150 L C 2.447 179.304 176.870 -0.020 0.000 1.079 150 L CA 0.919 55.720 54.840 -0.065 0.000 0.752 150 L CB -0.728 41.353 42.059 0.036 0.000 0.906 150 L HN 0.357 nan 8.230 nan 0.000 0.436 151 G N 0.132 108.882 108.800 -0.084 0.000 2.422 151 G HA2 -0.179 3.781 3.960 0.000 0.000 0.218 151 G HA3 -0.179 3.781 3.960 0.000 0.000 0.218 151 G C 1.612 176.481 174.900 -0.052 0.000 1.146 151 G CA 0.728 45.799 45.100 -0.048 0.000 0.769 151 G HN 0.465 nan 8.290 nan 0.000 0.547 152 G N -0.026 108.688 108.800 -0.144 0.000 2.442 152 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 152 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 152 G C 1.582 176.479 174.900 -0.004 0.000 1.141 152 G CA 0.913 45.934 45.100 -0.132 0.000 0.763 152 G HN 0.378 nan 8.290 nan 0.000 0.554 153 W N 0.998 122.291 121.300 -0.012 0.000 2.381 153 W HA 0.135 4.795 4.660 0.001 0.000 0.301 153 W C 2.927 179.429 176.519 -0.028 0.000 1.205 153 W CA 0.777 58.113 57.345 -0.014 0.000 1.285 153 W CB -1.106 28.354 29.460 0.001 0.000 1.133 153 W HN 0.331 nan 8.180 nan 0.000 0.521 154 A N 0.609 123.553 122.820 0.207 0.000 1.877 154 A HA -0.061 4.259 4.320 0.000 0.000 0.216 154 A C 2.225 179.847 177.584 0.062 0.000 1.186 154 A CA 2.846 54.946 52.037 0.104 0.000 0.620 154 A CB -1.151 17.890 19.000 0.067 0.000 0.822 154 A HN 0.126 nan 8.150 nan 0.000 0.443 155 A N -0.397 122.451 122.820 0.047 0.000 1.969 155 A HA 0.247 4.567 4.320 0.000 0.000 0.218 155 A C 2.249 179.852 177.584 0.031 0.000 1.169 155 A CA 1.660 53.713 52.037 0.025 0.000 0.635 155 A CB -0.761 18.243 19.000 0.008 0.000 0.810 155 A HN 1.115 nan 8.150 nan 0.000 0.445 156 A N -1.636 121.219 122.820 0.058 0.000 2.239 156 A HA 0.394 4.714 4.320 0.000 0.000 0.209 156 A C 1.687 179.286 177.584 0.024 0.000 1.171 156 A CA 1.216 53.284 52.037 0.051 0.000 0.768 156 A CB -0.997 18.061 19.000 0.095 0.000 0.790 156 A HN 1.867 nan 8.150 nan 0.000 0.478 157 G N -1.120 107.694 108.800 0.022 0.000 2.141 157 G HA2 -0.188 3.772 3.960 0.000 0.000 0.231 157 G HA3 -0.188 3.772 3.960 0.000 0.000 0.231 157 G C -0.013 174.878 174.900 -0.016 0.000 0.984 157 G CA 0.066 45.166 45.100 -0.001 0.000 0.660 157 G HN 0.501 nan 8.290 nan 0.000 0.525 158 I N 1.838 122.406 120.570 -0.002 0.000 2.287 158 I HA 0.279 4.449 4.170 0.000 0.000 0.290 158 I C -1.278 174.837 176.117 -0.005 0.000 1.069 158 I CA -2.253 59.025 61.300 -0.037 0.000 1.237 158 I CB 1.571 39.514 38.000 -0.096 0.000 1.418 158 I HN -0.098 nan 8.210 nan 0.000 0.481 159 P HA 0.146 nan 4.420 nan 0.000 0.253 159 P C -0.291 176.998 177.300 -0.018 0.000 1.459 159 P CA 0.081 63.177 63.100 -0.006 0.000 0.908 159 P CB 0.157 31.852 31.700 -0.009 0.000 1.470 160 R N 0.006 120.487 120.500 -0.033 0.000 2.564 160 R HA 0.558 4.898 4.340 0.000 0.000 0.284 160 R C -0.900 175.369 176.300 -0.051 0.000 1.031 160 R CA -0.848 55.209 56.100 -0.072 0.000 0.904 160 R CB 2.771 33.000 30.300 -0.119 0.000 1.199 160 R HN -0.142 nan 8.270 nan 0.000 0.443 161 V N -1.188 118.695 119.914 -0.051 0.000 2.971 161 V HA 0.664 4.784 4.120 0.000 0.000 0.309 161 V C -0.989 175.084 176.094 -0.035 0.000 1.130 161 V CA -1.003 61.316 62.300 0.032 0.000 0.964 161 V CB 2.282 34.219 31.823 0.190 0.000 1.029 161 V HN 0.705 nan 8.190 nan 0.000 0.427 162 K N 4.103 124.522 120.400 0.033 0.000 2.324 162 K HA 0.833 5.153 4.320 0.000 0.000 0.253 162 K C -0.658 175.944 176.600 0.004 0.000 0.932 162 K CA -0.832 55.437 56.287 -0.031 0.000 0.799 162 K CB 1.976 34.459 32.500 -0.028 0.000 1.154 162 K HN 1.027 nan 8.250 nan 0.000 0.425 163 M N 1.052 120.617 119.600 -0.058 0.000 2.761 163 M HA 0.586 5.067 4.480 0.000 0.000 0.305 163 M C -0.947 175.277 176.300 -0.127 0.000 1.235 163 M CA -1.088 54.143 55.300 -0.115 0.000 0.850 163 M CB 1.666 34.198 32.600 -0.113 0.000 1.744 163 M HN 0.110 nan 8.290 nan 0.000 0.480 164 K N 1.797 122.102 120.400 -0.158 0.000 2.118 164 K HA 0.719 5.039 4.320 0.000 0.000 0.267 164 K C -0.590 175.945 176.600 -0.108 0.000 0.991 164 K CA -0.515 55.714 56.287 -0.096 0.000 0.916 164 K CB 2.010 34.483 32.500 -0.045 0.000 1.041 164 K HN 0.762 nan 8.250 nan 0.000 0.455 165 V N -3.316 116.541 119.914 -0.095 0.000 3.130 165 V HA 0.853 4.973 4.120 0.000 0.000 0.310 165 V C 0.611 176.635 176.094 -0.118 0.000 1.158 165 V CA -0.095 62.146 62.300 -0.097 0.000 1.029 165 V CB 1.528 33.285 31.823 -0.110 0.000 1.057 165 V HN 0.864 nan 8.190 nan 0.000 0.436 166 G N 1.349 110.079 108.800 -0.116 0.000 2.201 166 G HA2 -0.228 3.732 3.960 0.000 0.000 0.212 166 G HA3 -0.228 3.732 3.960 0.000 0.000 0.212 166 G C 0.895 175.715 174.900 -0.132 0.000 0.994 166 G CA 0.680 45.638 45.100 -0.236 0.000 0.644 166 G HN 1.023 nan 8.290 nan 0.000 0.508 167 R N 0.602 121.063 120.500 -0.065 0.000 2.073 167 R HA 0.115 4.455 4.340 0.000 0.000 0.229 167 R C 0.290 176.591 176.300 0.002 0.000 1.120 167 R CA 1.551 57.640 56.100 -0.019 0.000 0.967 167 R CB 0.010 30.312 30.300 0.004 0.000 0.862 167 R HN 0.470 nan 8.270 nan 0.000 0.436 168 E N -0.724 119.477 120.200 0.001 0.000 2.580 168 E HA 0.158 4.508 4.350 0.000 0.000 0.248 168 E C -2.280 174.326 176.600 0.011 0.000 1.018 168 E CA -1.752 54.661 56.400 0.022 0.000 0.775 168 E CB 2.138 31.857 29.700 0.031 0.000 1.378 168 E HN 0.090 nan 8.360 nan 0.000 0.401 169 P HA -0.194 nan 4.420 nan 0.000 0.218 169 P C 0.624 177.954 177.300 0.051 0.000 1.149 169 P CA 1.134 64.178 63.100 -0.092 0.000 0.817 169 P CB 0.362 32.097 31.700 0.059 0.000 0.785 170 E N -0.159 120.131 120.200 0.149 0.000 2.160 170 E HA -0.170 4.180 4.350 0.000 0.000 0.195 170 E C 1.704 178.390 176.600 0.142 0.000 0.991 170 E CA 1.116 57.623 56.400 0.178 0.000 0.810 170 E CB -0.767 29.008 29.700 0.125 0.000 0.742 170 E HN 0.234 nan 8.360 nan 0.000 0.466 171 K N 0.665 121.120 120.400 0.090 0.000 2.228 171 K HA -0.027 4.294 4.320 0.000 0.000 0.202 171 K C 1.191 177.843 176.600 0.086 0.000 1.051 171 K CA 0.715 57.049 56.287 0.078 0.000 0.960 171 K CB -0.048 32.483 32.500 0.053 0.000 0.743 171 K HN 0.155 nan 8.250 nan 0.000 0.458 172 D N 0.839 121.282 120.400 0.071 0.000 2.123 172 D HA -0.106 4.534 4.640 0.000 0.000 0.196 172 D C -0.942 175.497 176.300 0.231 0.000 0.992 172 D CA 1.042 55.105 54.000 0.104 0.000 0.833 172 D CB -1.303 39.540 40.800 0.072 0.000 0.954 172 D HN 0.120 nan 8.370 nan 0.000 0.455 173 P HA -0.154 nan 4.420 nan 0.000 0.215 173 P C 1.393 178.810 177.300 0.195 0.000 1.157 173 P CA 1.343 64.641 63.100 0.330 0.000 0.874 173 P CB -0.017 31.872 31.700 0.315 0.000 0.790 174 E N -0.491 119.794 120.200 0.141 0.000 2.153 174 E HA -0.203 4.147 4.350 0.000 0.000 0.194 174 E C 2.081 178.720 176.600 0.065 0.000 0.988 174 E CA 0.887 57.342 56.400 0.091 0.000 0.811 174 E CB -0.081 29.664 29.700 0.075 0.000 0.746 174 E HN 0.099 nan 8.360 nan 0.000 0.466 175 R N 0.003 120.539 120.500 0.060 0.000 2.066 175 R HA -0.113 4.227 4.340 0.000 0.000 0.232 175 R C 2.654 178.953 176.300 -0.001 0.000 1.131 175 R CA 1.524 57.637 56.100 0.022 0.000 0.955 175 R CB -0.336 29.968 30.300 0.006 0.000 0.851 175 R HN 0.236 nan 8.270 nan 0.000 0.432 176 V N -0.997 118.919 119.914 0.003 0.000 2.427 176 V HA -0.149 3.972 4.120 0.000 0.000 0.248 176 V C 2.095 178.198 176.094 0.015 0.000 1.051 176 V CA 1.339 63.620 62.300 -0.033 0.000 1.048 176 V CB -0.587 31.187 31.823 -0.082 0.000 0.666 176 V HN 0.170 nan 8.190 nan 0.000 0.456 177 R N 0.950 121.483 120.500 0.055 0.000 2.081 177 R HA -0.039 4.301 4.340 0.000 0.000 0.235 177 R C 2.593 178.909 176.300 0.026 0.000 1.131 177 R CA 1.669 57.799 56.100 0.050 0.000 0.960 177 R CB -0.760 29.581 30.300 0.067 0.000 0.856 177 R HN 0.632 nan 8.270 nan 0.000 0.436 178 A N 1.139 123.971 122.820 0.020 0.000 1.902 178 A HA -0.112 4.208 4.320 0.000 0.000 0.217 178 A C 2.366 179.947 177.584 -0.005 0.000 1.181 178 A CA 1.658 53.698 52.037 0.006 0.000 0.623 178 A CB -0.604 18.398 19.000 0.004 0.000 0.818 178 A HN 0.409 nan 8.150 nan 0.000 0.443 179 A N -0.075 122.738 122.820 -0.010 0.000 1.908 179 A HA -0.185 4.135 4.320 0.000 0.000 0.218 179 A C 2.192 179.771 177.584 -0.009 0.000 1.181 179 A CA 2.262 54.289 52.037 -0.017 0.000 0.627 179 A CB -0.454 18.528 19.000 -0.030 0.000 0.818 179 A HN 0.473 nan 8.150 nan 0.000 0.445 180 R N -0.091 120.408 120.500 -0.002 0.000 2.081 180 R HA -0.096 4.245 4.340 0.000 0.000 0.235 180 R C 1.996 178.299 176.300 0.004 0.000 1.131 180 R CA 1.869 57.971 56.100 0.004 0.000 0.960 180 R CB -0.557 29.751 30.300 0.014 0.000 0.856 180 R HN 0.455 nan 8.270 nan 0.000 0.436 181 E N 0.207 120.409 120.200 0.004 0.000 2.077 181 E HA -0.107 4.243 4.350 0.000 0.000 0.193 181 E C 1.733 178.331 176.600 -0.005 0.000 0.989 181 E CA 1.494 57.895 56.400 0.002 0.000 0.800 181 E CB -0.285 29.418 29.700 0.004 0.000 0.746 181 E HN 0.413 nan 8.360 nan 0.000 0.452 182 A N 1.189 124.003 122.820 -0.010 0.000 1.902 182 A HA -0.147 4.173 4.320 0.000 0.000 0.217 182 A C 2.258 179.835 177.584 -0.011 0.000 1.181 182 A CA 1.683 53.710 52.037 -0.017 0.000 0.623 182 A CB -0.644 18.338 19.000 -0.030 0.000 0.818 182 A HN 0.428 nan 8.150 nan 0.000 0.443 183 I N -4.284 116.285 120.570 -0.003 0.000 3.427 183 I HA 0.458 4.628 4.170 0.000 0.000 0.288 183 I C 1.082 177.202 176.117 0.005 0.000 1.249 183 I CA 0.425 61.728 61.300 0.005 0.000 1.421 183 I CB -0.679 37.331 38.000 0.016 0.000 1.086 183 I HN 0.467 nan 8.210 nan 0.000 0.448 184 G N 2.263 111.065 108.800 0.003 0.000 2.782 184 G HA2 -0.219 3.742 3.960 0.000 0.000 0.228 184 G HA3 -0.219 3.742 3.960 0.000 0.000 0.228 184 G C 0.185 175.088 174.900 0.005 0.000 1.372 184 G CA 0.139 45.241 45.100 0.004 0.000 0.862 184 G HN 0.325 nan 8.290 nan 0.000 0.547 185 E N -0.134 120.069 120.200 0.005 0.000 2.371 185 E HA 0.002 4.352 4.350 0.000 0.000 0.194 185 E C 2.584 179.186 176.600 0.005 0.000 1.012 185 E CA 1.274 57.678 56.400 0.006 0.000 0.860 185 E CB -0.061 29.643 29.700 0.006 0.000 0.811 185 E HN 0.855 nan 8.360 nan 0.000 0.502 186 S N -0.175 115.527 115.700 0.004 0.000 2.634 186 S HA 0.146 4.616 4.470 0.000 0.000 0.221 186 S C 0.585 175.186 174.600 0.002 0.000 0.952 186 S CA -0.425 57.777 58.200 0.003 0.000 0.930 186 S CB 0.065 63.266 63.200 0.003 0.000 0.780 186 S HN -0.133 nan 8.310 nan 0.000 0.498 187 V N 1.806 121.722 119.914 0.003 0.000 2.555 187 V HA 0.403 4.524 4.120 0.000 0.000 0.302 187 V C 0.036 176.126 176.094 -0.008 0.000 1.038 187 V CA -0.992 61.309 62.300 0.001 0.000 0.887 187 V CB 1.711 33.541 31.823 0.012 0.000 0.991 187 V HN 0.457 nan 8.190 nan 0.000 0.434 188 E N 3.051 123.239 120.200 -0.021 0.000 2.324 188 E HA 0.231 4.581 4.350 0.000 0.000 0.271 188 E C -1.210 175.357 176.600 -0.056 0.000 1.028 188 E CA -0.501 55.875 56.400 -0.039 0.000 0.890 188 E CB 1.018 30.682 29.700 -0.061 0.000 1.004 188 E HN 0.473 nan 8.360 nan 0.000 0.431 189 L N 5.839 127.035 121.223 -0.045 0.000 2.296 189 L HA 0.437 4.777 4.340 0.000 0.000 0.286 189 L C -1.124 175.706 176.870 -0.068 0.000 1.023 189 L CA -0.150 54.658 54.840 -0.053 0.000 0.812 189 L CB 1.198 43.237 42.059 -0.033 0.000 1.223 189 L HN 0.638 nan 8.230 nan 0.000 0.421 190 M N 5.796 125.329 119.600 -0.111 0.000 2.530 190 M HA 0.738 5.219 4.480 0.000 0.000 0.307 190 M C -0.831 175.444 176.300 -0.041 0.000 1.161 190 M CA -0.956 54.291 55.300 -0.089 0.000 0.903 190 M CB 2.324 34.653 32.600 -0.451 0.000 1.711 190 M HN 0.433 nan 8.290 nan 0.000 0.451 191 V N -2.040 117.912 119.914 0.064 0.000 3.040 191 V HA 0.833 4.953 4.120 0.000 0.000 0.312 191 V C -1.802 174.340 176.094 0.080 0.000 1.115 191 V CA -0.521 61.770 62.300 -0.015 0.000 0.998 191 V CB 2.248 33.952 31.823 -0.199 0.000 1.042 191 V HN 0.855 nan 8.190 nan 0.000 0.433 192 D N 1.564 121.981 120.400 0.029 0.000 2.686 192 D HA 0.730 5.371 4.640 0.000 0.000 0.249 192 D C 0.371 176.669 176.300 -0.003 0.000 1.260 192 D CA 0.150 54.178 54.000 0.047 0.000 0.910 192 D CB 2.152 42.992 40.800 0.067 0.000 1.323 192 D HN 0.905 nan 8.370 nan 0.000 0.561 193 A N 3.533 126.340 122.820 -0.021 0.000 2.178 193 A HA 0.104 4.424 4.320 0.000 0.000 0.211 193 A C 0.897 178.405 177.584 -0.127 0.000 1.157 193 A CA 0.175 52.118 52.037 -0.157 0.000 0.780 193 A CB -0.608 18.198 19.000 -0.323 0.000 0.828 193 A HN 0.771 nan 8.150 nan 0.000 0.476 194 N N -1.391 117.293 118.700 -0.028 0.000 2.710 194 N HA -0.196 4.544 4.740 0.000 0.000 0.249 194 N C 0.703 176.213 175.510 -0.000 0.000 1.059 194 N CA 1.293 54.355 53.050 0.020 0.000 0.720 194 N CB -1.403 37.126 38.487 0.069 0.000 0.983 194 N HN 1.250 nan 8.380 nan 0.000 0.544 195 G N -2.322 106.460 108.800 -0.029 0.000 2.137 195 G HA2 -0.202 3.758 3.960 0.000 0.000 0.237 195 G HA3 -0.202 3.758 3.960 0.000 0.000 0.237 195 G C 0.896 175.764 174.900 -0.055 0.000 1.002 195 G CA 0.434 45.525 45.100 -0.015 0.000 0.702 195 G HN 0.889 nan 8.290 nan 0.000 0.515 196 A N -1.330 121.376 122.820 -0.190 0.000 2.123 196 A HA 0.554 4.874 4.320 0.000 0.000 0.214 196 A C 0.829 178.347 177.584 -0.109 0.000 1.152 196 A CA 0.945 52.846 52.037 -0.227 0.000 0.728 196 A CB 0.003 18.749 19.000 -0.423 0.000 0.814 196 A HN 0.640 nan 8.150 nan 0.000 0.464 197 Y N 0.169 120.517 120.300 0.079 0.000 2.453 197 Y HA 0.464 5.014 4.550 0.000 0.000 0.326 197 Y C 1.236 177.188 175.900 0.087 0.000 1.186 197 Y CA -1.164 57.000 58.100 0.107 0.000 1.200 197 Y CB 0.544 39.097 38.460 0.155 0.000 1.247 197 Y HN 0.127 nan 8.280 nan 0.000 0.482 198 T N -1.756 112.960 114.554 0.270 0.000 2.788 198 T HA 0.274 4.624 4.350 0.000 0.000 0.287 198 T C 1.202 175.993 174.700 0.152 0.000 1.007 198 T CA -0.546 61.651 62.100 0.161 0.000 1.005 198 T CB 0.788 69.722 68.868 0.110 0.000 1.012 198 T HN 0.694 nan 8.240 nan 0.000 0.530 199 R N 0.366 120.924 120.500 0.097 0.000 2.094 199 R HA -0.087 4.253 4.340 0.000 0.000 0.239 199 R C 2.510 178.841 176.300 0.053 0.000 1.137 199 R CA 1.501 57.645 56.100 0.073 0.000 0.943 199 R CB -0.198 30.130 30.300 0.048 0.000 0.850 199 R HN 0.512 nan 8.270 nan 0.000 0.433 200 K N 0.595 121.016 120.400 0.036 0.000 2.167 200 K HA -0.115 4.205 4.320 0.000 0.000 0.203 200 K C 2.007 178.607 176.600 -0.000 0.000 1.052 200 K CA 0.910 57.203 56.287 0.010 0.000 0.956 200 K CB -0.076 32.422 32.500 -0.004 0.000 0.735 200 K HN 0.308 nan 8.250 nan 0.000 0.451 201 Q N 0.438 120.251 119.800 0.021 0.000 2.050 201 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 201 Q C 1.951 177.909 176.000 -0.069 0.000 0.980 201 Q CA 1.705 57.513 55.803 0.009 0.000 0.840 201 Q CB -0.069 28.748 28.738 0.133 0.000 0.898 201 Q HN 0.269 nan 8.270 nan 0.000 0.424 202 A N 0.633 123.437 122.820 -0.027 0.000 1.908 202 A HA -0.207 4.114 4.320 0.000 0.000 0.218 202 A C 1.964 179.526 177.584 -0.037 0.000 1.181 202 A CA 1.451 53.466 52.037 -0.036 0.000 0.627 202 A CB -0.744 18.359 19.000 0.172 0.000 0.818 202 A HN 0.476 nan 8.150 nan 0.000 0.445 203 L N -1.746 119.460 121.223 -0.028 0.000 2.056 203 L HA -0.101 4.239 4.340 0.000 0.000 0.207 203 L C 2.283 179.071 176.870 -0.137 0.000 1.078 203 L CA 2.300 57.107 54.840 -0.054 0.000 0.749 203 L CB -0.936 41.103 42.059 -0.034 0.000 0.901 203 L HN 0.530 nan 8.230 nan 0.000 0.433 204 Y N -0.972 119.164 120.300 -0.273 0.000 2.081 204 Y HA -0.331 4.220 4.550 0.001 0.000 0.280 204 Y C 2.110 177.677 175.900 -0.556 0.000 1.163 204 Y CA 2.296 60.129 58.100 -0.445 0.000 1.135 204 Y CB -0.791 37.303 38.460 -0.609 0.000 0.970 204 Y HN 0.245 nan 8.280 nan 0.000 0.498 205 W N -0.168 120.880 121.300 -0.421 0.000 2.388 205 W HA -0.107 4.553 4.660 0.000 0.000 0.294 205 W C 2.692 178.870 176.519 -0.569 0.000 1.212 205 W CA 1.361 58.278 57.345 -0.714 0.000 1.271 205 W CB -0.627 28.333 29.460 -0.832 0.000 1.126 205 W HN 0.189 nan 8.180 nan 0.000 0.535 206 A N 0.604 123.375 122.820 -0.082 0.000 1.883 206 A HA -0.148 4.172 4.320 0.000 0.000 0.217 206 A C 2.215 179.767 177.584 -0.053 0.000 1.186 206 A CA 2.199 54.253 52.037 0.029 0.000 0.624 206 A CB -1.493 17.517 19.000 0.017 0.000 0.822 206 A HN 0.333 nan 8.150 nan 0.000 0.444 207 G N -1.016 107.654 108.800 -0.217 0.000 2.394 207 G HA2 0.117 4.077 3.960 0.000 0.000 0.215 207 G HA3 0.117 4.077 3.960 0.000 0.000 0.215 207 G C 1.764 176.485 174.900 -0.298 0.000 1.165 207 G CA 1.253 46.209 45.100 -0.239 0.000 0.784 207 G HN 0.799 nan 8.290 nan 0.000 0.535 208 A N 0.639 123.115 122.820 -0.574 0.000 1.908 208 A HA 0.046 4.366 4.320 0.000 0.000 0.218 208 A C 2.149 179.691 177.584 -0.069 0.000 1.181 208 A CA 1.554 53.306 52.037 -0.474 0.000 0.627 208 A CB -0.569 17.934 19.000 -0.829 0.000 0.818 208 A HN 0.262 nan 8.150 nan 0.000 0.445 209 F N 0.013 120.002 119.950 0.064 0.000 2.186 209 F HA 0.020 4.548 4.527 0.000 0.000 0.299 209 F C 2.805 178.631 175.800 0.042 0.000 1.090 209 F CA 0.204 58.266 58.000 0.104 0.000 1.307 209 F CB -1.095 37.989 39.000 0.139 0.000 1.019 209 F HN 0.265 nan 8.300 nan 0.000 0.489 210 A N 0.348 123.280 122.820 0.188 0.000 1.908 210 A HA -0.213 4.107 4.320 0.000 0.000 0.218 210 A C 2.395 180.016 177.584 0.061 0.000 1.181 210 A CA 1.747 53.841 52.037 0.094 0.000 0.627 210 A CB -0.645 18.379 19.000 0.039 0.000 0.818 210 A HN 0.323 nan 8.150 nan 0.000 0.445 211 R N -0.803 119.715 120.500 0.029 0.000 2.090 211 R HA -0.058 4.283 4.340 0.000 0.000 0.228 211 R C 2.074 178.402 176.300 0.048 0.000 1.110 211 R CA 1.426 57.534 56.100 0.013 0.000 0.973 211 R CB -0.230 30.052 30.300 -0.030 0.000 0.869 211 R HN 0.652 nan 8.270 nan 0.000 0.440 212 E N -0.320 119.937 120.200 0.094 0.000 2.152 212 E HA -0.042 4.309 4.350 0.000 0.000 0.192 212 E C 0.854 177.517 176.600 0.105 0.000 0.983 212 E CA 1.162 57.633 56.400 0.119 0.000 0.818 212 E CB 0.382 30.206 29.700 0.207 0.000 0.758 212 E HN 0.330 nan 8.360 nan 0.000 0.467 213 A N -0.948 121.936 122.820 0.107 0.000 2.631 213 A HA 0.419 4.739 4.320 0.000 0.000 0.258 213 A C 0.980 178.597 177.584 0.054 0.000 1.027 213 A CA 0.175 52.256 52.037 0.073 0.000 1.015 213 A CB 0.121 19.162 19.000 0.068 0.000 1.206 213 A HN 0.178 nan 8.150 nan 0.000 0.556 214 G N 1.430 110.266 108.800 0.060 0.000 2.341 214 G HA2 -0.236 3.724 3.960 0.000 0.000 0.292 214 G HA3 -0.236 3.724 3.960 0.000 0.000 0.292 214 G C 0.343 175.270 174.900 0.046 0.000 1.021 214 G CA 0.538 45.665 45.100 0.046 0.000 0.905 214 G HN 1.905 nan 8.290 nan 0.000 0.508 215 I N -2.370 118.240 120.570 0.066 0.000 2.815 215 I HA 0.483 4.654 4.170 0.000 0.000 0.291 215 I C 1.020 177.177 176.117 0.066 0.000 1.209 215 I CA 0.545 61.879 61.300 0.057 0.000 1.431 215 I CB 0.915 38.953 38.000 0.063 0.000 1.351 215 I HN -0.059 nan 8.210 nan 0.000 0.585 216 S N 4.019 119.759 115.700 0.067 0.000 2.540 216 S HA 0.201 4.671 4.470 0.000 0.000 0.218 216 S C -0.460 174.233 174.600 0.156 0.000 0.977 216 S CA -0.044 58.208 58.200 0.085 0.000 0.918 216 S CB -0.272 62.965 63.200 0.060 0.000 0.806 216 S HN 0.752 nan 8.310 nan 0.000 0.496 217 Y N 0.585 120.865 120.300 -0.033 0.000 2.424 217 Y HA 0.522 5.072 4.550 0.000 0.000 0.323 217 Y C -2.285 173.597 175.900 -0.029 0.000 1.174 217 Y CA -1.279 56.791 58.100 -0.050 0.000 1.060 217 Y CB 1.001 39.391 38.460 -0.116 0.000 1.314 217 Y HN -0.020 nan 8.280 nan 0.000 0.439 218 L N 6.510 127.551 121.223 -0.303 0.000 2.457 218 L HA 0.510 4.851 4.340 0.000 0.000 0.266 218 L C -1.265 175.423 176.870 -0.304 0.000 0.979 218 L CA -0.312 54.443 54.840 -0.142 0.000 0.857 218 L CB 1.578 43.661 42.059 0.040 0.000 1.213 218 L HN 0.741 nan 8.230 nan 0.000 0.418 219 E N 3.639 123.709 120.200 -0.217 0.000 2.231 219 E HA 0.300 4.650 4.350 0.000 0.000 0.277 219 E C -0.545 176.021 176.600 -0.056 0.000 0.999 219 E CA -0.262 56.025 56.400 -0.189 0.000 0.827 219 E CB 0.764 30.456 29.700 -0.014 0.000 1.101 219 E HN 0.686 nan 8.360 nan 0.000 0.393 220 E N 2.293 122.457 120.200 -0.061 0.000 2.228 220 E HA -0.185 4.166 4.350 0.000 0.000 0.213 220 E C -1.871 174.745 176.600 0.026 0.000 1.282 220 E CA 0.143 56.535 56.400 -0.014 0.000 0.707 220 E CB -0.642 29.056 29.700 -0.004 0.000 1.150 220 E HN 0.546 nan 8.360 nan 0.000 0.362 221 P HA -0.128 nan 4.420 nan 0.000 0.218 221 P C 0.825 178.242 177.300 0.194 0.000 1.149 221 P CA 1.546 64.763 63.100 0.195 0.000 0.817 221 P CB 0.049 31.886 31.700 0.228 0.000 0.785 222 V N -3.852 116.133 119.914 0.119 0.000 3.096 222 V HA 0.610 4.730 4.120 0.000 0.000 0.319 222 V C 0.543 176.671 176.094 0.057 0.000 1.103 222 V CA -1.314 61.048 62.300 0.103 0.000 1.016 222 V CB 0.872 32.752 31.823 0.095 0.000 1.090 222 V HN 0.061 nan 8.190 nan 0.000 0.449 223 S N 1.027 116.756 115.700 0.048 0.000 2.542 223 S HA 0.186 4.656 4.470 0.000 0.000 0.287 223 S C 1.651 176.268 174.600 0.029 0.000 1.315 223 S CA 0.618 58.835 58.200 0.028 0.000 1.037 223 S CB 0.124 63.336 63.200 0.020 0.000 0.822 223 S HN 1.943 nan 8.310 nan 0.000 0.513 224 S N 2.529 118.242 115.700 0.022 0.000 2.368 224 S HA -0.119 4.351 4.470 0.000 0.000 0.224 224 S C 1.662 176.282 174.600 0.035 0.000 1.029 224 S CA 1.547 59.778 58.200 0.051 0.000 0.988 224 S CB -0.789 62.439 63.200 0.047 0.000 0.838 224 S HN 0.950 nan 8.310 nan 0.000 0.462 225 E N 0.422 120.633 120.200 0.019 0.000 2.409 225 E HA -0.067 4.283 4.350 0.000 0.000 0.198 225 E C -0.113 176.502 176.600 0.025 0.000 1.024 225 E CA 0.580 56.996 56.400 0.026 0.000 0.861 225 E CB -0.376 29.336 29.700 0.020 0.000 0.788 225 E HN 0.452 nan 8.360 nan 0.000 0.521 226 D N 1.347 121.762 120.400 0.024 0.000 2.558 226 D HA 0.060 4.700 4.640 0.000 0.000 0.221 226 D C 0.675 176.986 176.300 0.019 0.000 1.143 226 D CA -0.119 53.895 54.000 0.024 0.000 1.010 226 D CB 0.125 40.943 40.800 0.031 0.000 1.068 226 D HN 0.043 nan 8.370 nan 0.000 0.511 227 R N 1.109 121.617 120.500 0.015 0.000 2.092 227 R HA -0.097 4.243 4.340 0.000 0.000 0.231 227 R C 1.747 178.050 176.300 0.005 0.000 1.119 227 R CA 0.776 56.880 56.100 0.005 0.000 0.970 227 R CB 0.142 30.444 30.300 0.003 0.000 0.864 227 R HN 0.460 nan 8.270 nan 0.000 0.440 228 E N -0.116 120.091 120.200 0.011 0.000 2.077 228 E HA -0.142 4.208 4.350 0.000 0.000 0.193 228 E C 1.961 178.569 176.600 0.013 0.000 0.989 228 E CA 1.226 57.632 56.400 0.011 0.000 0.800 228 E CB -0.093 29.616 29.700 0.014 0.000 0.746 228 E HN 0.426 nan 8.360 nan 0.000 0.452 229 G N 0.925 109.736 108.800 0.019 0.000 2.402 229 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 229 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 229 G C 1.556 176.469 174.900 0.021 0.000 1.162 229 G CA 0.462 45.577 45.100 0.025 0.000 0.777 229 G HN 0.163 nan 8.290 nan 0.000 0.539 230 L N 0.075 121.306 121.223 0.014 0.000 2.012 230 L HA -0.098 4.243 4.340 0.000 0.000 0.210 230 L C 2.921 179.787 176.870 -0.006 0.000 1.073 230 L CA 1.694 56.535 54.840 0.001 0.000 0.748 230 L CB -0.379 41.672 42.059 -0.013 0.000 0.891 230 L HN 0.238 nan 8.230 nan 0.000 0.431 231 R N 0.423 120.920 120.500 -0.006 0.000 2.152 231 R HA -0.191 4.149 4.340 0.000 0.000 0.232 231 R C 2.254 178.552 176.300 -0.004 0.000 1.117 231 R CA 1.286 57.381 56.100 -0.008 0.000 0.981 231 R CB -0.259 30.037 30.300 -0.006 0.000 0.870 231 R HN 0.287 nan 8.270 nan 0.000 0.451 232 L N 0.382 121.606 121.223 0.001 0.000 2.109 232 L HA -0.048 4.292 4.340 0.000 0.000 0.207 232 L C 2.017 178.888 176.870 0.001 0.000 1.086 232 L CA 1.107 55.949 54.840 0.003 0.000 0.760 232 L CB -0.014 42.050 42.059 0.008 0.000 0.910 232 L HN 0.255 nan 8.230 nan 0.000 0.437 233 L N -1.057 120.169 121.223 0.004 0.000 2.156 233 L HA -0.124 4.217 4.340 0.000 0.000 0.208 233 L C 2.706 179.571 176.870 -0.009 0.000 1.095 233 L CA 0.495 55.337 54.840 0.003 0.000 0.770 233 L CB -0.720 41.349 42.059 0.016 0.000 0.914 233 L HN 0.244 nan 8.230 nan 0.000 0.439 234 R N 0.842 121.334 120.500 -0.014 0.000 2.081 234 R HA -0.171 4.170 4.340 0.000 0.000 0.235 234 R C 1.575 177.867 176.300 -0.014 0.000 1.131 234 R CA 1.924 58.012 56.100 -0.020 0.000 0.960 234 R CB -0.382 29.904 30.300 -0.022 0.000 0.856 234 R HN 0.345 nan 8.270 nan 0.000 0.436 235 D N -0.126 120.268 120.400 -0.010 0.000 2.162 235 D HA -0.063 4.577 4.640 0.000 0.000 0.203 235 D C 1.647 177.941 176.300 -0.010 0.000 0.967 235 D CA 0.863 54.858 54.000 -0.008 0.000 0.840 235 D CB 0.100 40.897 40.800 -0.006 0.000 0.972 235 D HN 0.175 nan 8.370 nan 0.000 0.482 236 R N 0.387 120.880 120.500 -0.011 0.000 2.365 236 R HA 0.243 4.583 4.340 0.000 0.000 0.223 236 R C 1.146 177.434 176.300 -0.020 0.000 0.899 236 R CA -0.111 55.980 56.100 -0.015 0.000 1.059 236 R CB 0.109 30.401 30.300 -0.015 0.000 1.086 236 R HN -0.030 nan 8.270 nan 0.000 0.522 237 G N 3.478 112.267 108.800 -0.018 0.000 2.664 237 G HA2 0.194 4.154 3.960 0.000 0.000 0.242 237 G HA3 0.194 4.154 3.960 0.000 0.000 0.242 237 G C -2.020 172.866 174.900 -0.023 0.000 1.225 237 G CA -0.552 44.536 45.100 -0.021 0.000 0.849 237 G HN -0.007 nan 8.290 nan 0.000 0.581 238 P HA 0.231 nan 4.420 nan 0.000 0.272 238 P C 0.637 177.930 177.300 -0.012 0.000 1.223 238 P CA -0.090 62.995 63.100 -0.023 0.000 0.784 238 P CB 0.553 32.236 31.700 -0.027 0.000 0.923 239 G N 0.073 108.867 108.800 -0.011 0.000 2.484 239 G HA2 0.297 4.257 3.960 0.000 0.000 0.235 239 G HA3 0.297 4.257 3.960 0.000 0.000 0.235 239 G C 1.044 175.945 174.900 0.002 0.000 1.282 239 G CA 0.232 45.329 45.100 -0.005 0.000 0.857 239 G HN 0.893 nan 8.290 nan 0.000 0.571 240 G N -0.681 108.123 108.800 0.006 0.000 2.212 240 G HA2 -0.208 3.752 3.960 0.000 0.000 0.266 240 G HA3 -0.208 3.752 3.960 0.000 0.000 0.266 240 G C 0.263 175.178 174.900 0.024 0.000 0.978 240 G CA 0.521 45.629 45.100 0.014 0.000 0.632 240 G HN 1.470 nan 8.290 nan 0.000 0.537 241 V N 1.436 121.361 119.914 0.018 0.000 2.313 241 V HA 0.742 4.862 4.120 0.000 0.000 0.278 241 V C 0.695 176.784 176.094 -0.008 0.000 1.017 241 V CA -0.456 61.858 62.300 0.023 0.000 0.823 241 V CB 1.118 32.960 31.823 0.032 0.000 1.010 241 V HN 1.043 nan 8.190 nan 0.000 0.443 242 A N 6.813 129.625 122.820 -0.013 0.000 2.409 242 A HA 0.617 4.937 4.320 0.000 0.000 0.267 242 A C -0.075 177.387 177.584 -0.203 0.000 1.127 242 A CA -0.280 51.714 52.037 -0.071 0.000 0.795 242 A CB 0.041 19.033 19.000 -0.013 0.000 1.061 242 A HN 0.635 nan 8.150 nan 0.000 0.502 243 I N 2.160 122.630 120.570 -0.166 0.000 2.352 243 I HA 0.442 4.612 4.170 0.000 0.000 0.290 243 I C 0.670 176.638 176.117 -0.248 0.000 1.036 243 I CA 0.253 61.436 61.300 -0.195 0.000 1.336 243 I CB 0.482 38.425 38.000 -0.096 0.000 1.407 243 I HN 0.692 nan 8.210 nan 0.000 0.497 244 A N 5.458 128.058 122.820 -0.367 0.000 2.401 244 A HA 0.990 5.310 4.320 0.000 0.000 0.310 244 A C -0.581 176.882 177.584 -0.201 0.000 1.075 244 A CA -0.380 51.469 52.037 -0.314 0.000 0.746 244 A CB 1.976 20.671 19.000 -0.509 0.000 1.277 244 A HN 0.896 nan 8.150 nan 0.000 0.425 245 A N -0.433 122.305 122.820 -0.138 0.000 2.601 245 A HA 0.836 5.156 4.320 0.000 0.000 0.291 245 A C 0.160 177.665 177.584 -0.132 0.000 1.075 245 A CA 0.092 52.053 52.037 -0.126 0.000 0.671 245 A CB 0.554 19.500 19.000 -0.089 0.000 1.277 245 A HN 2.577 nan 8.150 nan 0.000 0.417 246 G N -0.405 108.283 108.800 -0.186 0.000 3.288 246 G HA2 -0.054 3.907 3.960 0.000 0.000 0.219 246 G HA3 -0.054 3.907 3.960 0.000 0.000 0.219 246 G C 0.614 175.310 174.900 -0.340 0.000 0.944 246 G CA 1.048 46.032 45.100 -0.194 0.000 0.854 246 G HN 1.347 nan 8.290 nan 0.000 0.632 247 E N -0.065 119.788 120.200 -0.578 0.000 2.209 247 E HA -0.107 4.243 4.350 0.000 0.000 0.196 247 E C 1.207 177.231 176.600 -0.959 0.000 0.993 247 E CA 1.051 56.908 56.400 -0.906 0.000 0.819 247 E CB -0.295 28.432 29.700 -1.622 0.000 0.745 247 E HN 0.521 nan 8.360 nan 0.000 0.477 248 Y N 1.133 121.135 120.300 -0.497 0.000 2.583 248 Y HA 0.285 4.835 4.550 0.000 0.000 0.294 248 Y C -0.088 175.222 175.900 -0.982 0.000 1.170 248 Y CA -0.319 57.352 58.100 -0.716 0.000 1.265 248 Y CB 0.217 38.484 38.460 -0.322 0.000 1.119 248 Y HN -0.082 nan 8.280 nan 0.000 0.522 249 E N -0.564 119.259 120.200 -0.630 0.000 2.229 249 E HA 0.054 4.404 4.350 0.000 0.000 0.283 249 E C -0.387 175.926 176.600 -0.478 0.000 1.030 249 E CA -0.343 55.809 56.400 -0.413 0.000 0.836 249 E CB 0.406 29.995 29.700 -0.186 0.000 1.068 249 E HN 0.446 nan 8.360 nan 0.000 0.401 250 W N 1.583 122.926 121.300 0.071 0.000 2.907 250 W HA 0.043 4.703 4.660 0.000 0.000 0.271 250 W C 0.785 177.351 176.519 0.079 0.000 1.253 250 W CA 0.117 57.501 57.345 0.065 0.000 1.501 250 W CB 0.524 30.009 29.460 0.042 0.000 1.047 250 W HN 0.373 nan 8.180 nan 0.000 0.610 251 T N -2.729 111.969 114.554 0.240 0.000 2.903 251 T HA 0.331 4.681 4.350 0.000 0.000 0.299 251 T C 0.342 175.133 174.700 0.152 0.000 1.093 251 T CA -0.738 61.483 62.100 0.202 0.000 1.002 251 T CB 2.004 70.981 68.868 0.183 0.000 1.127 251 T HN -0.045 nan 8.240 nan 0.000 0.488 252 L N 1.346 122.666 121.223 0.161 0.000 2.042 252 L HA 0.071 4.411 4.340 0.000 0.000 0.210 252 L C -0.696 176.250 176.870 0.127 0.000 1.076 252 L CA 1.435 56.351 54.840 0.127 0.000 0.749 252 L CB -0.740 41.397 42.059 0.130 0.000 0.893 252 L HN 0.591 nan 8.230 nan 0.000 0.432 253 P HA -0.162 nan 4.420 nan 0.000 0.219 253 P C 1.308 178.712 177.300 0.173 0.000 1.150 253 P CA 1.139 64.326 63.100 0.144 0.000 0.814 253 P CB 0.069 31.833 31.700 0.106 0.000 0.787 254 Q N -0.687 119.191 119.800 0.129 0.000 2.050 254 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 254 Q C 2.188 178.222 176.000 0.057 0.000 0.980 254 Q CA 1.194 57.055 55.803 0.096 0.000 0.840 254 Q CB -0.740 28.054 28.738 0.093 0.000 0.898 254 Q HN 0.223 nan 8.270 nan 0.000 0.424 255 L N -0.323 120.933 121.223 0.055 0.000 2.013 255 L HA -0.289 4.051 4.340 0.000 0.000 0.212 255 L C 2.521 179.381 176.870 -0.017 0.000 1.073 255 L CA 1.752 56.599 54.840 0.013 0.000 0.753 255 L CB -0.546 41.526 42.059 0.023 0.000 0.890 255 L HN 0.395 nan 8.230 nan 0.000 0.432 256 H N 0.039 119.095 119.070 -0.023 0.000 2.319 256 H HA -0.224 4.332 4.556 0.001 0.000 0.297 256 H C 1.876 177.191 175.328 -0.022 0.000 1.097 256 H CA 2.273 58.316 56.048 -0.009 0.000 1.285 256 H CB -0.090 29.715 29.762 0.070 0.000 1.368 256 H HN 0.273 nan 8.280 nan 0.000 0.495 257 D N 0.046 120.354 120.400 -0.153 0.000 2.117 257 D HA -0.135 4.505 4.640 0.000 0.000 0.197 257 D C 2.299 178.502 176.300 -0.162 0.000 0.987 257 D CA 1.103 55.005 54.000 -0.162 0.000 0.829 257 D CB -0.451 40.352 40.800 0.005 0.000 0.961 257 D HN 0.341 nan 8.370 nan 0.000 0.460 258 L N 1.017 122.166 121.223 -0.124 0.000 2.093 258 L HA -0.010 4.330 4.340 0.000 0.000 0.208 258 L C 2.138 178.904 176.870 -0.172 0.000 1.085 258 L CA 1.424 56.196 54.840 -0.113 0.000 0.755 258 L CB -0.817 41.194 42.059 -0.081 0.000 0.904 258 L HN -0.039 nan 8.230 nan 0.000 0.435 259 A N -0.516 122.127 122.820 -0.295 0.000 1.986 259 A HA -0.163 4.157 4.320 0.000 0.000 0.220 259 A C 2.214 179.608 177.584 -0.317 0.000 1.171 259 A CA 1.593 53.363 52.037 -0.445 0.000 0.640 259 A CB -1.495 16.923 19.000 -0.970 0.000 0.811 259 A HN 0.528 nan 8.150 nan 0.000 0.451 260 G N -2.196 106.478 108.800 -0.211 0.000 2.848 260 G HA2 0.027 3.987 3.960 0.000 0.000 0.208 260 G HA3 0.027 3.987 3.960 0.000 0.000 0.208 260 G C 0.951 175.833 174.900 -0.030 0.000 1.152 260 G CA 1.159 46.248 45.100 -0.018 0.000 0.789 260 G HN 0.562 nan 8.290 nan 0.000 0.531 261 C N -0.253 119.010 119.300 -0.061 0.000 3.228 261 C HA 0.462 4.922 4.460 0.000 0.000 0.290 261 C C 0.906 175.869 174.990 -0.044 0.000 1.301 261 C CA -0.238 58.754 59.018 -0.043 0.000 1.703 261 C CB -0.727 26.988 27.740 -0.042 0.000 2.141 261 C HN 0.274 nan 8.230 nan 0.000 0.656 262 V N -1.790 118.090 119.914 -0.057 0.000 3.113 262 V HA 0.612 4.733 4.120 0.000 0.000 0.316 262 V C -0.153 175.908 176.094 -0.054 0.000 1.125 262 V CA -0.320 61.942 62.300 -0.063 0.000 1.026 262 V CB 1.395 33.170 31.823 -0.080 0.000 1.080 262 V HN -0.005 nan 8.190 nan 0.000 0.444 263 D N 0.553 120.914 120.400 -0.065 0.000 2.271 263 D HA 0.297 4.937 4.640 0.000 0.000 0.206 263 D C 0.310 176.584 176.300 -0.044 0.000 0.967 263 D CA 1.464 55.434 54.000 -0.050 0.000 0.867 263 D CB 0.749 41.516 40.800 -0.055 0.000 0.960 263 D HN 0.529 nan 8.370 nan 0.000 0.509 264 I N 1.051 121.584 120.570 -0.063 0.000 2.607 264 I HA 0.166 4.336 4.170 0.000 0.000 0.290 264 I C -1.269 174.820 176.117 -0.046 0.000 1.129 264 I CA -0.965 60.310 61.300 -0.040 0.000 1.042 264 I CB 3.027 41.021 38.000 -0.010 0.000 1.242 264 I HN -0.234 nan 8.210 nan 0.000 0.421 265 L N 6.378 127.596 121.223 -0.008 0.000 2.309 265 L HA 0.508 4.848 4.340 0.000 0.000 0.282 265 L C -0.691 176.185 176.870 0.009 0.000 1.036 265 L CA 0.288 55.138 54.840 0.016 0.000 0.806 265 L CB 1.312 43.413 42.059 0.069 0.000 1.220 265 L HN 0.557 nan 8.230 nan 0.000 0.429 266 Q N 3.454 123.235 119.800 -0.033 0.000 2.348 266 Q HA 0.897 5.238 4.340 0.000 0.000 0.271 266 Q C -1.239 174.796 176.000 0.058 0.000 1.067 266 Q CA -0.950 54.794 55.803 -0.099 0.000 0.839 266 Q CB 2.226 30.891 28.738 -0.122 0.000 1.354 266 Q HN 0.843 nan 8.270 nan 0.000 0.447 267 A N 1.268 124.199 122.820 0.186 0.000 2.587 267 A HA 0.496 4.817 4.320 0.000 0.000 0.293 267 A C -1.833 175.844 177.584 0.155 0.000 1.087 267 A CA -0.646 51.489 52.037 0.164 0.000 0.692 267 A CB 1.836 20.994 19.000 0.263 0.000 1.291 267 A HN 0.663 nan 8.150 nan 0.000 0.407 268 D N 1.610 122.047 120.400 0.062 0.000 2.381 268 D HA 0.254 4.894 4.640 0.000 0.000 0.235 268 D C 0.912 177.269 176.300 0.095 0.000 1.068 268 D CA -0.209 53.853 54.000 0.103 0.000 0.832 268 D CB 1.900 42.749 40.800 0.081 0.000 1.101 268 D HN 0.236 nan 8.370 nan 0.000 0.515 269 V N 3.965 123.942 119.914 0.105 0.000 2.453 269 V HA -0.227 3.893 4.120 0.000 0.000 0.252 269 V C 2.047 178.168 176.094 0.046 0.000 1.068 269 V CA 2.993 65.331 62.300 0.063 0.000 1.070 269 V CB -0.462 31.380 31.823 0.030 0.000 0.664 269 V HN 0.818 nan 8.190 nan 0.000 0.461 270 T N -3.424 111.162 114.554 0.053 0.000 3.148 270 T HA 0.083 4.433 4.350 0.000 0.000 0.253 270 T C 1.542 176.317 174.700 0.125 0.000 1.134 270 T CA 0.649 62.776 62.100 0.045 0.000 1.051 270 T CB -0.106 68.784 68.868 0.037 0.000 0.959 270 T HN 0.589 nan 8.240 nan 0.000 0.525 271 R N -0.253 120.329 120.500 0.138 0.000 2.470 271 R HA 0.256 4.596 4.340 0.000 0.000 0.210 271 R C 1.915 178.350 176.300 0.225 0.000 0.873 271 R CA 0.633 56.862 56.100 0.215 0.000 1.015 271 R CB -0.018 30.317 30.300 0.058 0.000 1.348 271 R HN 0.558 nan 8.270 nan 0.000 0.650 272 C N -0.261 119.123 119.300 0.139 0.000 2.559 272 C HA 0.569 5.030 4.460 0.000 0.000 0.300 272 C C 1.243 176.381 174.990 0.247 0.000 1.288 272 C CA -0.046 59.065 59.018 0.155 0.000 1.699 272 C CB -0.560 27.227 27.740 0.078 0.000 1.819 272 C HN 0.655 nan 8.230 nan 0.000 0.600 273 G N -0.467 108.506 108.800 0.288 0.000 2.141 273 G HA2 0.411 4.371 3.960 0.000 0.000 0.164 273 G HA3 0.411 4.371 3.960 0.000 0.000 0.164 273 G C 0.762 175.919 174.900 0.429 0.000 1.009 273 G CA 0.182 45.576 45.100 0.490 0.000 0.677 273 G HN 2.356 nan 8.290 nan 0.000 0.508 274 G N -0.366 108.561 108.800 0.212 0.000 2.593 274 G HA2 -0.088 3.872 3.960 0.000 0.000 0.237 274 G HA3 -0.088 3.872 3.960 0.000 0.000 0.237 274 G C 0.946 175.854 174.900 0.014 0.000 1.312 274 G CA 0.092 45.265 45.100 0.121 0.000 0.896 274 G HN 0.904 nan 8.290 nan 0.000 0.574 275 I N 0.918 121.450 120.570 -0.063 0.000 2.179 275 I HA -0.136 4.034 4.170 0.000 0.000 0.242 275 I C 3.073 179.004 176.117 -0.311 0.000 1.088 275 I CA 2.764 63.883 61.300 -0.301 0.000 1.357 275 I CB -2.135 35.422 38.000 -0.739 0.000 1.051 275 I HN 0.649 nan 8.210 nan 0.000 0.409 276 T N 0.905 115.350 114.554 -0.182 0.000 2.746 276 T HA -0.088 4.262 4.350 0.000 0.000 0.267 276 T C 1.961 176.350 174.700 -0.518 0.000 1.039 276 T CA 1.516 63.416 62.100 -0.334 0.000 1.142 276 T CB -0.699 67.793 68.868 -0.626 0.000 0.866 276 T HN 0.543 nan 8.240 nan 0.000 0.444 277 G N 1.103 109.683 108.800 -0.368 0.000 2.402 277 G HA2 -0.103 3.857 3.960 0.000 0.000 0.216 277 G HA3 -0.103 3.857 3.960 0.000 0.000 0.216 277 G C 1.478 176.303 174.900 -0.126 0.000 1.162 277 G CA 0.351 45.364 45.100 -0.145 0.000 0.777 277 G HN 0.379 nan 8.290 nan 0.000 0.539 278 L N 0.488 121.634 121.223 -0.128 0.000 2.131 278 L HA 0.124 4.464 4.340 0.000 0.000 0.210 278 L C 2.623 179.354 176.870 -0.232 0.000 1.092 278 L CA 0.993 55.731 54.840 -0.170 0.000 0.759 278 L CB -0.237 41.740 42.059 -0.137 0.000 0.903 278 L HN 0.168 nan 8.230 nan 0.000 0.435 279 L N -1.395 119.690 121.223 -0.230 0.000 2.353 279 L HA -0.199 4.141 4.340 0.000 0.000 0.220 279 L C 2.247 179.015 176.870 -0.170 0.000 1.133 279 L CA 0.672 55.388 54.840 -0.206 0.000 0.798 279 L CB -0.291 41.642 42.059 -0.210 0.000 0.922 279 L HN 0.188 nan 8.230 nan 0.000 0.445 280 R N -1.462 118.935 120.500 -0.171 0.000 2.265 280 R HA 0.031 4.371 4.340 0.000 0.000 0.194 280 R C 1.958 178.181 176.300 -0.127 0.000 0.931 280 R CA 0.192 56.218 56.100 -0.123 0.000 1.032 280 R CB -0.209 30.032 30.300 -0.097 0.000 0.980 280 R HN 0.004 nan 8.270 nan 0.000 0.497 281 V N 0.967 120.759 119.914 -0.203 0.000 2.469 281 V HA -0.255 3.865 4.120 0.000 0.000 0.251 281 V C 1.465 177.402 176.094 -0.262 0.000 1.064 281 V CA 2.199 64.336 62.300 -0.272 0.000 1.066 281 V CB -0.220 31.296 31.823 -0.512 0.000 0.667 281 V HN 0.301 nan 8.190 nan 0.000 0.461 282 D N -0.113 120.134 120.400 -0.255 0.000 2.144 282 D HA -0.075 4.566 4.640 0.000 0.000 0.200 282 D C 2.114 178.348 176.300 -0.110 0.000 0.978 282 D CA 1.431 55.310 54.000 -0.203 0.000 0.833 282 D CB -0.410 40.276 40.800 -0.189 0.000 0.961 282 D HN 0.475 nan 8.370 nan 0.000 0.470 283 G N 0.126 108.883 108.800 -0.071 0.000 2.422 283 G HA2 -0.161 3.799 3.960 0.000 0.000 0.218 283 G HA3 -0.161 3.799 3.960 0.000 0.000 0.218 283 G C 1.842 176.759 174.900 0.028 0.000 1.140 283 G CA 0.344 45.434 45.100 -0.018 0.000 0.775 283 G HN 0.317 nan 8.290 nan 0.000 0.545 284 I N 0.375 120.962 120.570 0.029 0.000 2.202 284 I HA -0.178 3.993 4.170 0.000 0.000 0.242 284 I C 2.770 178.968 176.117 0.134 0.000 1.091 284 I CA 0.627 61.993 61.300 0.111 0.000 1.368 284 I CB -0.263 37.769 38.000 0.053 0.000 1.058 284 I HN 0.178 nan 8.210 nan 0.000 0.410 285 C N 0.595 119.914 119.300 0.031 0.000 2.453 285 C HA -0.089 4.371 4.460 0.000 0.000 0.277 285 C C 2.854 177.880 174.990 0.059 0.000 1.262 285 C CA 0.513 59.556 59.018 0.043 0.000 1.718 285 C CB -1.119 26.636 27.740 0.025 0.000 2.031 285 C HN 0.421 nan 8.230 nan 0.000 0.480 286 R N 0.945 121.455 120.500 0.017 0.000 2.115 286 R HA -0.022 4.319 4.340 0.000 0.000 0.230 286 R C 2.399 178.719 176.300 0.032 0.000 1.111 286 R CA 1.424 57.527 56.100 0.005 0.000 0.976 286 R CB -1.433 28.848 30.300 -0.032 0.000 0.870 286 R HN 0.630 nan 8.270 nan 0.000 0.445 287 G N 0.556 109.394 108.800 0.062 0.000 2.446 287 G HA2 -0.260 3.701 3.960 0.000 0.000 0.217 287 G HA3 -0.260 3.701 3.960 0.000 0.000 0.217 287 G C 0.819 175.721 174.900 0.004 0.000 1.168 287 G CA 0.832 45.959 45.100 0.046 0.000 0.771 287 G HN 0.401 nan 8.290 nan 0.000 0.551 288 H N 0.020 119.095 119.070 0.009 0.000 2.539 288 H HA 0.262 4.818 4.556 0.001 0.000 0.267 288 H C 0.812 176.137 175.328 -0.004 0.000 0.982 288 H CA 0.204 56.253 56.048 0.002 0.000 1.146 288 H CB 0.122 29.881 29.762 -0.006 0.000 1.382 288 H HN 0.371 nan 8.280 nan 0.000 0.577 289 Q N -0.044 119.813 119.800 0.096 0.000 2.435 289 Q HA -0.183 4.157 4.340 0.000 0.000 0.312 289 Q C -0.567 175.463 176.000 0.049 0.000 1.333 289 Q CA 0.767 56.600 55.803 0.051 0.000 0.883 289 Q CB -1.890 26.863 28.738 0.025 0.000 1.170 289 Q HN 0.657 nan 8.270 nan 0.000 0.443 290 I N -4.478 116.126 120.570 0.057 0.000 2.846 290 I HA 0.784 4.954 4.170 0.000 0.000 0.307 290 I C -2.559 173.575 176.117 0.029 0.000 1.053 290 I CA -3.205 58.114 61.300 0.033 0.000 1.050 290 I CB 1.995 40.010 38.000 0.025 0.000 1.239 290 I HN -0.264 nan 8.210 nan 0.000 0.439 291 P HA 0.283 nan 4.420 nan 0.000 0.276 291 P C -1.360 175.978 177.300 0.063 0.000 1.244 291 P CA -0.042 63.064 63.100 0.009 0.000 0.801 291 P CB 0.460 32.128 31.700 -0.052 0.000 1.006 292 F N 0.764 120.667 119.950 -0.079 0.000 2.508 292 F HA 0.636 5.163 4.527 0.001 0.000 0.325 292 F C -0.537 175.233 175.800 -0.049 0.000 1.090 292 F CA -0.480 57.487 58.000 -0.055 0.000 0.945 292 F CB 1.654 40.623 39.000 -0.051 0.000 1.156 292 F HN 0.160 nan 8.300 nan 0.000 0.463 293 S N 4.467 119.477 115.700 -1.150 0.000 2.672 293 S HA 0.782 5.252 4.470 0.000 0.000 0.291 293 S C -0.897 173.112 174.600 -0.985 0.000 1.145 293 S CA -0.470 57.288 58.200 -0.738 0.000 1.013 293 S CB 0.673 63.811 63.200 -0.104 0.000 1.017 293 S HN 1.087 nan 8.310 nan 0.000 0.487 294 A N 3.502 125.944 122.820 -0.630 0.000 2.440 294 A HA 0.465 4.785 4.320 0.000 0.000 0.251 294 A C -0.322 177.229 177.584 -0.055 0.000 1.089 294 A CA 0.001 51.898 52.037 -0.232 0.000 0.779 294 A CB -0.097 18.934 19.000 0.051 0.000 1.022 294 A HN 0.969 nan 8.150 nan 0.000 0.492 295 H N 0.679 119.692 119.070 -0.095 0.000 2.504 295 H HA 0.493 5.049 4.556 0.000 0.000 0.322 295 H C 0.124 175.417 175.328 -0.059 0.000 1.055 295 H CA 0.454 56.437 56.048 -0.108 0.000 1.231 295 H CB 0.466 30.134 29.762 -0.157 0.000 1.417 295 H HN 1.071 nan 8.280 nan 0.000 0.472 296 C N 2.578 121.609 119.300 -0.448 0.000 0.168 296 C HA -0.009 4.451 4.460 0.000 0.000 0.017 296 C C 1.100 176.207 174.990 0.195 0.000 0.171 296 C CA 0.484 59.403 59.018 -0.165 0.000 0.499 296 C CB -1.552 26.089 27.740 -0.164 0.000 3.212 296 C HN 1.788 nan 8.230 nan 0.000 1.118 297 A N 0.125 123.277 122.820 0.553 0.000 2.362 297 A HA -0.126 4.194 4.320 0.000 0.000 0.290 297 A C -0.562 177.205 177.584 0.305 0.000 1.441 297 A CA 1.242 53.578 52.037 0.499 0.000 0.743 297 A CB -1.039 18.203 19.000 0.404 0.000 1.125 297 A HN 0.923 nan 8.150 nan 0.000 0.378 298 P HA -0.129 nan 4.420 nan 0.000 0.220 298 P C 1.635 179.064 177.300 0.216 0.000 1.148 298 P CA 1.623 64.831 63.100 0.180 0.000 0.803 298 P CB -0.022 31.782 31.700 0.174 0.000 0.782 299 A N 0.185 123.175 122.820 0.283 0.000 1.877 299 A HA -0.130 4.190 4.320 0.000 0.000 0.216 299 A C 2.450 180.195 177.584 0.268 0.000 1.186 299 A CA 2.084 54.294 52.037 0.287 0.000 0.620 299 A CB -1.636 17.560 19.000 0.326 0.000 0.822 299 A HN 0.062 nan 8.150 nan 0.000 0.443 300 V N 0.023 120.063 119.914 0.209 0.000 2.270 300 V HA -0.212 3.909 4.120 0.000 0.000 0.245 300 V C 2.732 178.895 176.094 0.115 0.000 1.043 300 V CA 2.309 64.648 62.300 0.065 0.000 1.014 300 V CB -1.061 30.671 31.823 -0.152 0.000 0.645 300 V HN 0.545 nan 8.190 nan 0.000 0.447 301 S N 0.607 116.372 115.700 0.108 0.000 2.400 301 S HA -0.191 4.280 4.470 0.000 0.000 0.232 301 S C 2.230 176.879 174.600 0.083 0.000 1.025 301 S CA 1.337 59.594 58.200 0.095 0.000 0.993 301 S CB -0.592 62.667 63.200 0.099 0.000 0.808 301 S HN 0.657 nan 8.310 nan 0.000 0.478 302 A N 1.841 124.707 122.820 0.076 0.000 1.948 302 A HA -0.211 4.109 4.320 0.000 0.000 0.220 302 A C 1.895 179.405 177.584 -0.123 0.000 1.177 302 A CA 1.568 53.587 52.037 -0.031 0.000 0.636 302 A CB -0.768 18.184 19.000 -0.080 0.000 0.815 302 A HN 0.619 nan 8.150 nan 0.000 0.449 303 H N -1.125 117.950 119.070 0.008 0.000 2.355 303 H HA 0.104 4.661 4.556 0.000 0.000 0.303 303 H C 2.643 177.945 175.328 -0.042 0.000 1.061 303 H CA 1.165 57.203 56.048 -0.017 0.000 1.368 303 H CB -0.392 29.348 29.762 -0.036 0.000 1.412 303 H HN 0.539 nan 8.280 nan 0.000 0.523 304 A N 0.729 123.587 122.820 0.063 0.000 1.933 304 A HA -0.151 4.170 4.320 0.000 0.000 0.218 304 A C 2.608 180.195 177.584 0.007 0.000 1.175 304 A CA 1.437 53.454 52.037 -0.032 0.000 0.628 304 A CB -1.028 17.937 19.000 -0.058 0.000 0.814 304 A HN 0.465 nan 8.150 nan 0.000 0.444 305 C N -1.554 117.785 119.300 0.066 0.000 2.456 305 C HA -0.049 4.412 4.460 0.000 0.000 0.279 305 C C 2.660 177.760 174.990 0.183 0.000 1.427 305 C CA 0.291 59.385 59.018 0.126 0.000 1.778 305 C CB -1.880 25.943 27.740 0.140 0.000 1.842 305 C HN 0.737 nan 8.230 nan 0.000 0.531 306 C N 0.784 120.170 119.300 0.142 0.000 2.422 306 C HA -0.034 4.427 4.460 0.000 0.000 0.286 306 C C 2.695 177.800 174.990 0.192 0.000 1.412 306 C CA 1.261 60.406 59.018 0.211 0.000 1.786 306 C CB -1.508 26.286 27.740 0.090 0.000 1.835 306 C HN 0.727 nan 8.230 nan 0.000 0.533 307 A N -0.559 122.336 122.820 0.125 0.000 2.275 307 A HA 0.334 4.655 4.320 0.000 0.000 0.212 307 A C 0.631 178.322 177.584 0.179 0.000 1.201 307 A CA 0.492 52.608 52.037 0.131 0.000 0.843 307 A CB 0.041 19.032 19.000 -0.014 0.000 0.873 307 A HN 0.325 nan 8.150 nan 0.000 0.492 308 V N 0.896 120.879 119.914 0.116 0.000 2.294 308 V HA 0.130 4.250 4.120 0.000 0.000 0.272 308 V C 1.136 177.175 176.094 -0.092 0.000 1.027 308 V CA -0.310 61.965 62.300 -0.043 0.000 0.823 308 V CB 0.881 32.672 31.823 -0.053 0.000 1.030 308 V HN 0.697 nan 8.190 nan 0.000 0.457 309 E N 3.245 123.047 120.200 -0.662 0.000 2.118 309 E HA -0.201 4.150 4.350 0.000 0.000 0.195 309 E C 1.940 178.404 176.600 -0.228 0.000 0.992 309 E CA 1.713 57.593 56.400 -0.866 0.000 0.804 309 E CB 0.232 28.964 29.700 -1.613 0.000 0.741 309 E HN 0.828 nan 8.360 nan 0.000 0.458 310 S N 0.283 115.882 115.700 -0.170 0.000 2.607 310 S HA -0.030 4.440 4.470 0.000 0.000 0.224 310 S C 0.739 175.377 174.600 0.064 0.000 0.969 310 S CA -0.383 57.792 58.200 -0.042 0.000 0.927 310 S CB -0.229 62.951 63.200 -0.033 0.000 0.772 310 S HN 0.214 nan 8.310 nan 0.000 0.533 311 L N 1.993 123.283 121.223 0.112 0.000 2.559 311 L HA 0.182 4.522 4.340 0.000 0.000 0.274 311 L C 0.936 177.759 176.870 -0.079 0.000 1.205 311 L CA 0.023 54.925 54.840 0.104 0.000 0.907 311 L CB 0.550 42.643 42.059 0.057 0.000 1.153 311 L HN 0.268 nan 8.230 nan 0.000 0.490 312 L N 4.640 125.756 121.223 -0.177 0.000 2.189 312 L HA 0.279 4.620 4.340 0.000 0.000 0.199 312 L C 0.049 176.703 176.870 -0.360 0.000 1.074 312 L CA 1.143 55.770 54.840 -0.355 0.000 0.783 312 L CB -0.360 41.334 42.059 -0.607 0.000 0.955 312 L HN 0.981 nan 8.230 nan 0.000 0.460 313 H N -2.606 116.429 119.070 -0.059 0.000 2.967 313 H HA 0.578 5.134 4.556 0.001 0.000 0.318 313 H C -1.097 174.203 175.328 -0.046 0.000 1.375 313 H CA -1.334 54.694 56.048 -0.034 0.000 1.132 313 H CB 0.138 29.932 29.762 0.054 0.000 1.848 313 H HN 0.055 nan 8.280 nan 0.000 0.524 314 L N -2.062 119.228 121.223 0.111 0.000 2.333 314 L HA 0.651 4.991 4.340 0.000 0.000 0.269 314 L C 0.059 176.738 176.870 -0.319 0.000 1.010 314 L CA -0.948 53.874 54.840 -0.029 0.000 0.818 314 L CB 1.924 43.971 42.059 -0.019 0.000 1.306 314 L HN 0.844 nan 8.230 nan 0.000 0.430 315 E N 1.251 121.181 120.200 -0.451 0.000 2.180 315 E HA 0.085 4.435 4.350 0.000 0.000 0.283 315 E C -1.562 174.735 176.600 -0.505 0.000 1.061 315 E CA -0.453 55.385 56.400 -0.936 0.000 0.861 315 E CB 0.510 29.843 29.700 -0.613 0.000 1.056 315 E HN 0.708 nan 8.360 nan 0.000 0.407 316 Y N 7.032 126.908 120.300 -0.708 0.000 2.751 316 Y HA 0.202 4.752 4.550 0.000 0.000 0.333 316 Y C -1.388 174.317 175.900 -0.326 0.000 1.122 316 Y CA -1.046 56.804 58.100 -0.417 0.000 1.367 316 Y CB -0.131 38.055 38.460 -0.456 0.000 1.242 316 Y HN 0.464 nan 8.280 nan 0.000 0.505 317 F N 5.224 124.855 119.950 -0.532 0.000 2.445 317 F HA 0.195 4.722 4.527 0.000 0.000 0.359 317 F C 1.457 177.067 175.800 -0.317 0.000 1.101 317 F CA -0.492 57.258 58.000 -0.416 0.000 1.177 317 F CB 0.473 39.171 39.000 -0.503 0.000 1.110 317 F HN 0.676 nan 8.300 nan 0.000 0.522 318 H N 3.370 122.054 119.070 -0.643 0.000 2.292 318 H HA -0.224 4.332 4.556 0.001 0.000 0.292 318 H C 1.491 176.541 175.328 -0.464 0.000 1.100 318 H CA 2.832 58.670 56.048 -0.351 0.000 1.238 318 H CB -0.005 29.785 29.762 0.047 0.000 1.355 318 H HN 0.730 nan 8.280 nan 0.000 0.484 319 D N -0.938 118.883 120.400 -0.966 0.000 2.149 319 D HA -0.141 4.499 4.640 0.000 0.000 0.198 319 D C 2.119 178.236 176.300 -0.305 0.000 0.990 319 D CA 1.810 55.461 54.000 -0.581 0.000 0.839 319 D CB -0.397 40.191 40.800 -0.353 0.000 0.948 319 D HN 0.698 nan 8.370 nan 0.000 0.460 320 H N -0.387 118.458 119.070 -0.375 0.000 2.384 320 H HA 0.214 4.770 4.556 0.001 0.000 0.300 320 H C 2.096 177.317 175.328 -0.178 0.000 1.057 320 H CA 0.512 56.433 56.048 -0.211 0.000 1.370 320 H CB 0.228 29.956 29.762 -0.056 0.000 1.417 320 H HN 0.077 nan 8.280 nan 0.000 0.527 321 A N 1.626 124.313 122.820 -0.222 0.000 1.917 321 A HA -0.254 4.067 4.320 0.000 0.000 0.219 321 A C 2.243 179.736 177.584 -0.153 0.000 1.182 321 A CA 1.861 53.722 52.037 -0.294 0.000 0.633 321 A CB -0.588 17.913 19.000 -0.831 0.000 0.819 321 A HN 0.327 nan 8.150 nan 0.000 0.448 322 R N -0.577 119.776 120.500 -0.244 0.000 2.070 322 R HA -0.091 4.250 4.340 0.000 0.000 0.232 322 R C 2.013 178.215 176.300 -0.163 0.000 1.138 322 R CA 1.868 57.844 56.100 -0.208 0.000 0.936 322 R CB -0.578 29.511 30.300 -0.352 0.000 0.839 322 R HN 0.256 nan 8.270 nan 0.000 0.429 323 V N 1.616 121.430 119.914 -0.166 0.000 2.282 323 V HA -0.277 3.844 4.120 0.000 0.000 0.249 323 V C 2.091 178.066 176.094 -0.198 0.000 1.057 323 V CA 2.302 64.498 62.300 -0.174 0.000 1.032 323 V CB -0.532 31.239 31.823 -0.086 0.000 0.645 323 V HN 0.467 nan 8.190 nan 0.000 0.447 324 E N -0.410 119.742 120.200 -0.081 0.000 2.110 324 E HA -0.272 4.078 4.350 0.000 0.000 0.193 324 E C 2.381 178.985 176.600 0.006 0.000 0.988 324 E CA 1.335 57.734 56.400 -0.001 0.000 0.804 324 E CB -0.194 29.620 29.700 0.190 0.000 0.745 324 E HN 0.345 nan 8.360 nan 0.000 0.458 325 R N 0.954 121.452 120.500 -0.003 0.000 2.092 325 R HA -0.035 4.305 4.340 0.000 0.000 0.231 325 R C 2.028 178.302 176.300 -0.044 0.000 1.119 325 R CA 0.926 57.035 56.100 0.016 0.000 0.970 325 R CB -0.405 29.914 30.300 0.031 0.000 0.864 325 R HN 0.173 nan 8.270 nan 0.000 0.440 326 L N -0.394 120.758 121.223 -0.117 0.000 2.093 326 L HA -0.092 4.249 4.340 0.000 0.000 0.208 326 L C 1.746 178.493 176.870 -0.206 0.000 1.085 326 L CA 1.194 55.949 54.840 -0.143 0.000 0.755 326 L CB -0.070 41.854 42.059 -0.225 0.000 0.904 326 L HN 0.262 nan 8.230 nan 0.000 0.435 327 L N -2.522 118.467 121.223 -0.391 0.000 2.463 327 L HA 0.139 4.479 4.340 0.000 0.000 0.219 327 L C -0.088 176.402 176.870 -0.634 0.000 1.088 327 L CA -0.048 54.414 54.840 -0.630 0.000 0.849 327 L CB 0.201 41.657 42.059 -1.005 0.000 1.012 327 L HN 0.000 nan 8.230 nan 0.000 0.468 328 F N -0.699 119.189 119.950 -0.103 0.000 2.563 328 F HA 0.314 4.841 4.527 0.001 0.000 0.316 328 F C -0.166 175.619 175.800 -0.025 0.000 1.076 328 F CA -1.215 56.745 58.000 -0.066 0.000 0.921 328 F CB 1.915 40.880 39.000 -0.058 0.000 1.209 328 F HN -0.238 nan 8.300 nan 0.000 0.462 329 D N 0.312 120.840 120.400 0.214 0.000 2.175 329 D HA 0.530 5.170 4.640 0.000 0.000 0.248 329 D C 0.575 176.948 176.300 0.121 0.000 1.047 329 D CA 0.473 54.550 54.000 0.128 0.000 0.883 329 D CB 1.482 42.335 40.800 0.088 0.000 1.180 329 D HN 0.792 nan 8.370 nan 0.000 0.438 330 G N 1.932 110.791 108.800 0.099 0.000 2.168 330 G HA2 -0.209 3.751 3.960 0.000 0.000 0.197 330 G HA3 -0.209 3.751 3.960 0.000 0.000 0.197 330 G C 0.418 175.379 174.900 0.101 0.000 0.997 330 G CA 0.109 45.258 45.100 0.081 0.000 0.658 330 G HN 0.879 nan 8.290 nan 0.000 0.513 331 T N -0.446 114.184 114.554 0.128 0.000 2.813 331 T HA 0.659 5.010 4.350 0.000 0.000 0.297 331 T C 0.631 175.406 174.700 0.125 0.000 1.036 331 T CA -0.365 61.824 62.100 0.149 0.000 1.044 331 T CB 1.624 70.600 68.868 0.180 0.000 0.993 331 T HN 0.566 nan 8.240 nan 0.000 0.535 332 L N 1.245 122.546 121.223 0.130 0.000 2.334 332 L HA 0.501 4.841 4.340 0.000 0.000 0.275 332 L C 0.143 177.053 176.870 0.066 0.000 1.036 332 L CA -1.131 53.758 54.840 0.080 0.000 0.807 332 L CB 1.301 43.389 42.059 0.047 0.000 1.231 332 L HN 0.710 nan 8.230 nan 0.000 0.438 333 D N 2.889 123.298 120.400 0.014 0.000 2.232 333 D HA 0.234 4.874 4.640 0.000 0.000 0.242 333 D C -1.860 174.365 176.300 -0.124 0.000 1.093 333 D CA -1.981 52.002 54.000 -0.028 0.000 0.845 333 D CB 1.685 42.480 40.800 -0.008 0.000 1.124 333 D HN 0.216 nan 8.370 nan 0.000 0.467 334 P HA 0.056 nan 4.420 nan 0.000 0.257 334 P C -0.166 176.992 177.300 -0.236 0.000 1.325 334 P CA -0.120 62.763 63.100 -0.363 0.000 0.850 334 P CB -0.150 31.064 31.700 -0.811 0.000 1.324 335 E N 1.022 121.137 120.200 -0.140 0.000 2.465 335 E HA 0.257 4.608 4.350 0.000 0.000 0.260 335 E C 1.181 177.738 176.600 -0.071 0.000 0.980 335 E CA 0.999 57.352 56.400 -0.079 0.000 0.927 335 E CB -0.582 29.095 29.700 -0.037 0.000 0.934 335 E HN 0.206 nan 8.360 nan 0.000 0.459 336 G N 2.444 111.210 108.800 -0.058 0.000 2.213 336 G HA2 -0.137 3.823 3.960 0.000 0.000 0.236 336 G HA3 -0.137 3.823 3.960 0.000 0.000 0.236 336 G C 0.957 175.821 174.900 -0.061 0.000 0.991 336 G CA 0.259 45.331 45.100 -0.047 0.000 0.629 336 G HN 1.849 nan 8.290 nan 0.000 0.517 337 G N -1.789 106.953 108.800 -0.096 0.000 2.179 337 G HA2 0.119 4.079 3.960 0.000 0.000 0.220 337 G HA3 0.119 4.079 3.960 0.000 0.000 0.220 337 G C 0.172 175.000 174.900 -0.121 0.000 0.990 337 G CA 0.804 45.838 45.100 -0.110 0.000 0.646 337 G HN 1.811 nan 8.290 nan 0.000 0.517 338 S N -0.661 114.969 115.700 -0.117 0.000 2.599 338 S HA 0.818 5.288 4.470 0.000 0.000 0.287 338 S C -0.502 174.029 174.600 -0.115 0.000 1.105 338 S CA -0.721 57.417 58.200 -0.103 0.000 0.899 338 S CB 2.064 65.222 63.200 -0.070 0.000 1.100 338 S HN 0.462 nan 8.310 nan 0.000 0.482 339 L N 1.957 123.121 121.223 -0.099 0.000 2.322 339 L HA 0.614 4.955 4.340 0.000 0.000 0.281 339 L C -0.011 176.811 176.870 -0.081 0.000 1.014 339 L CA -0.506 54.281 54.840 -0.088 0.000 0.815 339 L CB 1.504 43.521 42.059 -0.070 0.000 1.247 339 L HN 0.453 nan 8.230 nan 0.000 0.421 340 R N 4.470 124.926 120.500 -0.074 0.000 2.388 340 R HA 0.449 4.789 4.340 0.000 0.000 0.314 340 R C -2.581 173.665 176.300 -0.091 0.000 0.959 340 R CA -1.602 54.456 56.100 -0.070 0.000 0.851 340 R CB 1.623 31.900 30.300 -0.040 0.000 1.168 340 R HN 0.270 nan 8.270 nan 0.000 0.472 341 P HA -0.093 nan 4.420 nan 0.000 0.265 341 P C -0.941 176.345 177.300 -0.024 0.000 1.187 341 P CA 0.140 63.127 63.100 -0.189 0.000 0.766 341 P CB 0.500 32.040 31.700 -0.267 0.000 0.820 342 D N 4.435 124.861 120.400 0.043 0.000 2.339 342 D HA 0.048 4.689 4.640 0.000 0.000 0.256 342 D C -1.331 175.002 176.300 0.055 0.000 1.214 342 D CA -2.102 51.926 54.000 0.047 0.000 0.877 342 D CB 0.587 41.423 40.800 0.061 0.000 1.111 342 D HN 0.183 nan 8.370 nan 0.000 0.478 343 P HA -0.050 nan 4.420 nan 0.000 0.228 343 P C 0.206 177.525 177.300 0.032 0.000 1.151 343 P CA 0.692 63.811 63.100 0.032 0.000 0.770 343 P CB 0.532 32.244 31.700 0.019 0.000 0.786 344 D N -0.863 119.557 120.400 0.033 0.000 2.366 344 D HA 0.059 4.699 4.640 0.000 0.000 0.205 344 D C 0.739 177.057 176.300 0.030 0.000 1.022 344 D CA 0.266 54.283 54.000 0.028 0.000 0.868 344 D CB 0.301 41.115 40.800 0.023 0.000 0.953 344 D HN 0.230 nan 8.370 nan 0.000 0.514 345 R N 1.690 122.214 120.500 0.040 0.000 2.297 345 R HA 0.343 4.683 4.340 0.000 0.000 0.308 345 R C -2.449 173.867 176.300 0.028 0.000 1.029 345 R CA -1.579 54.540 56.100 0.033 0.000 0.929 345 R CB 1.068 31.391 30.300 0.038 0.000 1.046 345 R HN -0.078 nan 8.270 nan 0.000 0.461 346 P HA 0.090 nan 4.420 nan 0.000 0.272 346 P C 0.531 177.819 177.300 -0.020 0.000 1.223 346 P CA 0.262 63.365 63.100 0.005 0.000 0.784 346 P CB 0.884 32.585 31.700 0.002 0.000 0.923 347 G N 1.259 110.045 108.800 -0.023 0.000 2.552 347 G HA2 -0.302 3.659 3.960 0.000 0.000 0.265 347 G HA3 -0.302 3.659 3.960 0.000 0.000 0.265 347 G C 0.656 175.439 174.900 -0.194 0.000 1.234 347 G CA 0.164 45.221 45.100 -0.071 0.000 0.944 347 G HN 0.473 nan 8.290 nan 0.000 0.568 348 L N 1.854 122.899 121.223 -0.295 0.000 2.478 348 L HA 0.337 4.678 4.340 0.000 0.000 0.223 348 L C 2.481 179.177 176.870 -0.289 0.000 1.140 348 L CA 1.250 55.754 54.840 -0.560 0.000 0.842 348 L CB -0.493 41.321 42.059 -0.407 0.000 0.953 348 L HN 2.141 nan 8.230 nan 0.000 0.452 349 G N 0.460 109.180 108.800 -0.135 0.000 2.143 349 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 349 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 349 G C 0.034 174.907 174.900 -0.045 0.000 0.991 349 G CA -0.082 44.995 45.100 -0.038 0.000 0.689 349 G HN 0.234 nan 8.290 nan 0.000 0.522 350 L N -0.082 121.069 121.223 -0.120 0.000 2.322 350 L HA 0.708 5.048 4.340 0.000 0.000 0.281 350 L C 0.122 176.922 176.870 -0.117 0.000 1.014 350 L CA -0.718 54.016 54.840 -0.177 0.000 0.815 350 L CB 1.847 43.614 42.059 -0.486 0.000 1.247 350 L HN 0.140 nan 8.230 nan 0.000 0.421 351 E N 2.420 122.631 120.200 0.018 0.000 2.224 351 E HA 0.318 4.668 4.350 0.000 0.000 0.265 351 E C -1.182 175.570 176.600 0.254 0.000 0.878 351 E CA -1.026 55.429 56.400 0.092 0.000 0.759 351 E CB 2.724 32.465 29.700 0.069 0.000 1.164 351 E HN 0.285 nan 8.360 nan 0.000 0.414 352 L N 3.540 124.917 121.223 0.258 0.000 2.513 352 L HA 0.025 4.366 4.340 0.000 0.000 0.272 352 L C -0.413 176.504 176.870 0.078 0.000 1.187 352 L CA 0.620 55.584 54.840 0.207 0.000 0.895 352 L CB 0.041 42.186 42.059 0.144 0.000 1.147 352 L HN 0.385 nan 8.230 nan 0.000 0.483 353 K N 5.563 125.966 120.400 0.006 0.000 2.220 353 K HA 0.179 4.499 4.320 0.000 0.000 0.283 353 K C 1.500 178.079 176.600 -0.034 0.000 1.098 353 K CA 0.371 56.649 56.287 -0.015 0.000 0.928 353 K CB 0.459 32.936 32.500 -0.038 0.000 1.214 353 K HN 0.766 nan 8.250 nan 0.000 0.442 354 R N 1.700 122.202 120.500 0.003 0.000 2.096 354 R HA -0.180 4.160 4.340 0.000 0.000 0.240 354 R C 2.091 178.399 176.300 0.013 0.000 1.139 354 R CA 2.608 58.717 56.100 0.016 0.000 0.952 354 R CB -1.283 29.039 30.300 0.036 0.000 0.854 354 R HN 0.507 nan 8.270 nan 0.000 0.436 355 S N 0.420 116.125 115.700 0.008 0.000 2.371 355 S HA -0.096 4.374 4.470 0.000 0.000 0.224 355 S C 1.934 176.532 174.600 -0.003 0.000 1.029 355 S CA 0.903 59.106 58.200 0.004 0.000 0.978 355 S CB -0.032 63.170 63.200 0.002 0.000 0.833 355 S HN 0.608 nan 8.310 nan 0.000 0.466 356 E N 1.878 122.079 120.200 0.002 0.000 2.031 356 E HA -0.086 4.264 4.350 0.000 0.000 0.193 356 E C 2.465 179.104 176.600 0.065 0.000 0.994 356 E CA 1.181 57.606 56.400 0.042 0.000 0.800 356 E CB -0.738 28.986 29.700 0.040 0.000 0.752 356 E HN 0.425 nan 8.360 nan 0.000 0.447 357 A N 1.230 124.018 122.820 -0.053 0.000 1.896 357 A HA -0.248 4.073 4.320 0.000 0.000 0.220 357 A C 2.521 180.210 177.584 0.175 0.000 1.206 357 A CA 2.716 54.676 52.037 -0.129 0.000 0.647 357 A CB -1.462 17.395 19.000 -0.238 0.000 0.828 357 A HN 0.383 nan 8.150 nan 0.000 0.455 358 G N -0.979 107.886 108.800 0.109 0.000 2.476 358 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 358 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 358 G C 1.754 176.667 174.900 0.020 0.000 1.164 358 G CA 2.629 47.783 45.100 0.090 0.000 0.768 358 G HN 0.937 nan 8.290 nan 0.000 0.560 359 K N -0.295 120.049 120.400 -0.093 0.000 2.152 359 K HA -0.046 4.275 4.320 0.000 0.000 0.206 359 K C 1.959 178.311 176.600 -0.413 0.000 1.048 359 K CA 1.630 57.724 56.287 -0.322 0.000 0.933 359 K CB -0.738 31.437 32.500 -0.542 0.000 0.721 359 K HN 0.566 nan 8.250 nan 0.000 0.447 360 Y N -0.327 120.037 120.300 0.107 0.000 2.507 360 Y HA 0.545 5.095 4.550 0.000 0.000 0.254 360 Y C 1.253 177.276 175.900 0.205 0.000 1.171 360 Y CA -1.060 57.125 58.100 0.142 0.000 1.238 360 Y CB -0.367 38.170 38.460 0.129 0.000 1.148 360 Y HN 0.285 nan 8.280 nan 0.000 0.525 361 A N 1.273 124.260 122.820 0.279 0.000 2.565 361 A HA 0.416 4.736 4.320 0.000 0.000 0.237 361 A C 0.925 178.512 177.584 0.005 0.000 1.053 361 A CA 0.347 52.426 52.037 0.069 0.000 0.755 361 A CB -0.199 18.824 19.000 0.038 0.000 0.980 361 A HN 0.418 nan 8.150 nan 0.000 0.506 362 A N 0.000 122.761 122.820 -0.098 0.000 2.254 362 A HA 0.000 4.320 4.320 0.000 0.000 0.244 362 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 362 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486