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 3ahy_1_C DATA FIRST_RESID 0 DATA SEQUENCE HMLPKDFQWG FATAAYQIEG AVDQDGRGPS IWDTFCAQPG KIADGSSGVT DATA SEQUENCE ACDSYNRTAE DIALLKSLGA KSYRFSISWS RIIPEGGRGD AVNQAGIDHY DATA SEQUENCE VKFVDDLLDA GITPFITLFH WDLPEGLHQR YGGLLNRTEF PLDFENYARV DATA SEQUENCE MFRALPKVRN WITFNEPLCS AIPGYGSGTF APGRQSTSEP WTVGHNILVA DATA SEQUENCE HGRAVKAYRD DFKPASGDGQ IGIVLNGDFT YPWDAADPAD KEAAERRLEF DATA SEQUENCE FTAWFADPIY LGDYPASMRK QLGDRLPTFT PEERALVHGS NDFYGMNHYT DATA SEQUENCE SNYIRHRSSP ASADDTVGNV DVLFTNKQGN CIGPETQSPW LRPCAAGFRD DATA SEQUENCE FLVWISKRYG YPPIYVTENG TSIKGESDLP KEKILEDDFR VKYYNEYIRA DATA SEQUENCE MVTAVELDGV NVKGYFAWSL MDNFEWADGY VTRFGVTYVD YENGQKRFPK DATA SEQUENCE KSAKSLKPLF DELIA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.278 175.328 -0.083 0.000 0.993 0 H CA 0.000 56.001 56.048 -0.078 0.000 1.023 0 H CB 0.000 29.702 29.762 -0.100 0.000 1.292 1 M N 3.679 123.295 119.600 0.026 0.000 2.271 1 M HA 0.425 4.905 4.480 -0.000 0.000 0.285 1 M C -1.702 174.574 176.300 -0.039 0.000 1.059 1 M CA -0.558 54.733 55.300 -0.015 0.000 0.940 1 M CB 1.784 34.374 32.600 -0.016 0.000 1.636 1 M HN 0.422 nan 8.290 nan 0.000 0.460 2 L N 5.133 126.311 121.223 -0.075 0.000 2.375 2 L HA 0.673 5.013 4.340 -0.000 0.000 0.268 2 L C -2.098 174.783 176.870 0.019 0.000 1.058 2 L CA -1.986 52.794 54.840 -0.100 0.000 0.803 2 L CB 1.193 43.037 42.059 -0.358 0.000 1.212 2 L HN 0.501 nan 8.230 nan 0.000 0.451 3 P HA 0.031 nan 4.420 nan 0.000 0.270 3 P C -0.147 177.244 177.300 0.151 0.000 1.223 3 P CA -0.375 62.799 63.100 0.123 0.000 0.785 3 P CB 0.379 32.169 31.700 0.151 0.000 0.923 4 K N 1.332 121.800 120.400 0.114 0.000 2.211 4 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 4 K C 0.566 177.248 176.600 0.137 0.000 1.047 4 K CA 1.665 58.019 56.287 0.112 0.000 0.935 4 K CB -0.517 32.031 32.500 0.080 0.000 0.728 4 K HN 0.410 nan 8.250 nan 0.000 0.452 5 D N 0.440 120.925 120.400 0.142 0.000 2.328 5 D HA -0.046 4.594 4.640 -0.000 0.000 0.221 5 D C 0.097 176.487 176.300 0.150 0.000 1.072 5 D CA -0.548 53.529 54.000 0.128 0.000 0.850 5 D CB -0.492 40.366 40.800 0.098 0.000 0.922 5 D HN 0.132 nan 8.370 nan 0.000 0.516 6 F N 2.271 122.255 119.950 0.057 0.000 2.623 6 F HA 0.016 4.543 4.527 -0.000 0.000 0.383 6 F C 0.544 176.357 175.800 0.023 0.000 1.077 6 F CA 0.466 58.492 58.000 0.044 0.000 1.268 6 F CB 0.478 39.518 39.000 0.066 0.000 1.053 6 F HN -0.174 nan 8.300 nan 0.000 0.571 7 Q N 6.995 126.548 119.800 -0.412 0.000 2.309 7 Q HA 0.351 4.691 4.340 -0.000 0.000 0.264 7 Q C -1.055 174.654 176.000 -0.484 0.000 1.008 7 Q CA -0.726 54.891 55.803 -0.312 0.000 0.853 7 Q CB 2.331 30.930 28.738 -0.232 0.000 1.314 7 Q HN 0.742 nan 8.270 nan 0.000 0.448 8 W N 0.744 121.668 121.300 -0.627 0.000 3.083 8 W HA 0.824 5.484 4.660 -0.000 0.000 0.333 8 W C -1.116 174.926 176.519 -0.794 0.000 1.217 8 W CA -0.790 56.039 57.345 -0.861 0.000 1.170 8 W CB 0.777 29.539 29.460 -1.163 0.000 1.437 8 W HN 0.787 nan 8.180 nan 0.000 0.557 9 G N 0.700 109.050 108.800 -0.751 0.000 2.529 9 G HA2 0.596 4.556 3.960 -0.000 0.000 0.238 9 G HA3 0.596 4.556 3.960 -0.000 0.000 0.238 9 G C -2.488 172.134 174.900 -0.464 0.000 1.207 9 G CA -0.911 43.797 45.100 -0.655 0.000 0.928 9 G HN 0.386 nan 8.290 nan 0.000 0.495 10 F N 0.495 120.658 119.950 0.356 0.000 2.593 10 F HA 0.844 5.371 4.527 -0.000 0.000 0.320 10 F C 0.538 176.643 175.800 0.508 0.000 1.060 10 F CA -0.422 57.821 58.000 0.406 0.000 0.940 10 F CB 2.560 41.727 39.000 0.279 0.000 1.268 10 F HN 0.692 nan 8.300 nan 0.000 0.475 11 A N 0.750 123.886 122.820 0.527 0.000 2.401 11 A HA 0.887 5.207 4.320 -0.000 0.000 0.310 11 A C -0.567 177.079 177.584 0.103 0.000 1.075 11 A CA -0.399 51.840 52.037 0.337 0.000 0.746 11 A CB 1.426 20.707 19.000 0.468 0.000 1.277 11 A HN 0.836 nan 8.150 nan 0.000 0.425 12 T N -1.854 112.757 114.554 0.094 0.000 2.778 12 T HA 0.900 5.250 4.350 -0.000 0.000 0.293 12 T C -0.430 174.376 174.700 0.177 0.000 1.144 12 T CA -0.198 61.874 62.100 -0.046 0.000 1.010 12 T CB 1.556 70.449 68.868 0.042 0.000 1.325 12 T HN 2.169 nan 8.240 nan 0.000 0.515 13 A N -0.453 122.398 122.820 0.052 0.000 2.515 13 A HA 0.884 5.204 4.320 -0.000 0.000 0.298 13 A C 1.127 178.660 177.584 -0.085 0.000 1.059 13 A CA -0.387 51.532 52.037 -0.197 0.000 0.698 13 A CB 1.122 19.552 19.000 -0.949 0.000 1.289 13 A HN 1.515 nan 8.150 nan 0.000 0.404 14 A N 0.678 123.507 122.820 0.015 0.000 1.865 14 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 14 A C 1.800 179.413 177.584 0.048 0.000 1.191 14 A CA 2.276 54.380 52.037 0.113 0.000 0.623 14 A CB -0.979 18.158 19.000 0.227 0.000 0.826 14 A HN 1.382 nan 8.150 nan 0.000 0.444 15 Y N 0.760 121.015 120.300 -0.075 0.000 2.421 15 Y HA -0.145 4.405 4.550 -0.000 0.000 0.292 15 Y C 2.447 178.185 175.900 -0.269 0.000 1.136 15 Y CA 1.863 59.885 58.100 -0.130 0.000 1.255 15 Y CB -0.173 38.257 38.460 -0.051 0.000 0.991 15 Y HN 0.475 nan 8.280 nan 0.000 0.552 16 Q N -0.443 119.150 119.800 -0.346 0.000 2.230 16 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 16 Q C 1.816 177.690 176.000 -0.209 0.000 0.963 16 Q CA 1.783 57.356 55.803 -0.383 0.000 0.866 16 Q CB 0.092 28.584 28.738 -0.410 0.000 0.931 16 Q HN 0.766 nan 8.270 nan 0.000 0.452 17 I N -4.493 115.984 120.570 -0.155 0.000 4.624 17 I HA 0.181 4.351 4.170 -0.000 0.000 0.327 17 I C 1.485 177.559 176.117 -0.073 0.000 1.295 17 I CA -0.013 61.239 61.300 -0.081 0.000 1.267 17 I CB 0.330 38.299 38.000 -0.051 0.000 1.249 17 I HN -0.140 nan 8.210 nan 0.000 0.440 18 E N 2.359 122.507 120.200 -0.086 0.000 2.112 18 E HA 0.179 4.529 4.350 -0.000 0.000 0.190 18 E C 1.558 178.114 176.600 -0.072 0.000 0.979 18 E CA 0.890 57.269 56.400 -0.035 0.000 0.814 18 E CB -0.098 29.619 29.700 0.028 0.000 0.762 18 E HN 0.647 nan 8.360 nan 0.000 0.460 19 G N 0.930 109.631 108.800 -0.164 0.000 2.564 19 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.273 19 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.273 19 G C 0.459 175.253 174.900 -0.177 0.000 1.242 19 G CA 0.354 45.353 45.100 -0.168 0.000 0.951 19 G HN 0.978 nan 8.290 nan 0.000 0.564 20 A N -2.336 120.384 122.820 -0.166 0.000 2.640 20 A HA 0.091 4.411 4.320 -0.000 0.000 0.300 20 A C 2.450 179.873 177.584 -0.269 0.000 1.499 20 A CA 2.682 54.570 52.037 -0.248 0.000 0.759 20 A CB -2.095 16.646 19.000 -0.431 0.000 1.048 20 A HN 2.643 nan 8.150 nan 0.000 0.450 21 V N -2.382 117.438 119.914 -0.158 0.000 2.626 21 V HA -0.022 4.098 4.120 -0.000 0.000 0.252 21 V C 1.061 177.106 176.094 -0.081 0.000 1.067 21 V CA 2.190 64.439 62.300 -0.086 0.000 1.081 21 V CB -0.386 31.432 31.823 -0.008 0.000 0.686 21 V HN 1.037 nan 8.190 nan 0.000 0.468 22 D N -1.010 119.331 120.400 -0.099 0.000 2.720 22 D HA 0.204 4.844 4.640 -0.000 0.000 0.285 22 D C 0.344 176.580 176.300 -0.107 0.000 1.359 22 D CA -0.232 53.719 54.000 -0.082 0.000 0.818 22 D CB -0.162 40.610 40.800 -0.046 0.000 1.108 22 D HN 0.612 nan 8.370 nan 0.000 0.474 23 Q N 0.545 120.235 119.800 -0.185 0.000 2.222 23 Q HA 0.304 4.644 4.340 -0.000 0.000 0.252 23 Q C -0.526 175.357 176.000 -0.195 0.000 0.926 23 Q CA -0.349 55.342 55.803 -0.187 0.000 0.899 23 Q CB 0.694 29.279 28.738 -0.255 0.000 1.250 23 Q HN -0.062 nan 8.270 nan 0.000 0.441 24 D N 2.360 122.710 120.400 -0.083 0.000 2.772 24 D HA -0.199 4.441 4.640 -0.000 0.000 0.233 24 D C 0.483 176.773 176.300 -0.017 0.000 1.143 24 D CA 1.669 55.657 54.000 -0.020 0.000 0.700 24 D CB -1.453 39.371 40.800 0.039 0.000 1.076 24 D HN 1.006 nan 8.370 nan 0.000 0.430 25 G N -0.224 108.561 108.800 -0.024 0.000 2.159 25 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.256 25 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.256 25 G C 0.364 175.262 174.900 -0.003 0.000 0.977 25 G CA 0.354 45.453 45.100 -0.001 0.000 0.652 25 G HN 0.666 nan 8.290 nan 0.000 0.531 26 R N 0.858 121.333 120.500 -0.043 0.000 2.522 26 R HA 0.425 4.765 4.340 -0.000 0.000 0.284 26 R C 1.122 177.417 176.300 -0.009 0.000 1.032 26 R CA 0.596 56.680 56.100 -0.026 0.000 1.049 26 R CB -0.044 30.205 30.300 -0.085 0.000 0.956 26 R HN 0.349 nan 8.270 nan 0.000 0.422 27 G N 4.564 113.372 108.800 0.013 0.000 2.504 27 G HA2 0.358 4.318 3.960 -0.000 0.000 0.288 27 G HA3 0.358 4.318 3.960 -0.000 0.000 0.288 27 G C -2.414 172.485 174.900 -0.002 0.000 1.182 27 G CA -1.263 43.838 45.100 0.001 0.000 0.894 27 G HN 0.537 nan 8.290 nan 0.000 0.521 28 P HA 0.197 nan 4.420 nan 0.000 0.278 28 P C 0.011 177.292 177.300 -0.031 0.000 1.238 28 P CA -0.228 62.868 63.100 -0.007 0.000 0.794 28 P CB 1.539 33.232 31.700 -0.012 0.000 0.955 29 S N 1.732 117.418 115.700 -0.024 0.000 2.745 29 S HA 0.330 4.800 4.470 -0.000 0.000 0.292 29 S C 1.628 176.176 174.600 -0.087 0.000 1.133 29 S CA -0.784 57.384 58.200 -0.054 0.000 0.998 29 S CB 0.317 63.503 63.200 -0.023 0.000 1.087 29 S HN 0.505 nan 8.310 nan 0.000 0.551 30 I N -2.762 117.729 120.570 -0.132 0.000 2.567 30 I HA -0.008 4.162 4.170 -0.000 0.000 0.257 30 I C 1.670 177.621 176.117 -0.276 0.000 1.184 30 I CA 0.983 62.129 61.300 -0.257 0.000 1.451 30 I CB -0.443 37.313 38.000 -0.406 0.000 1.089 30 I HN 0.631 nan 8.210 nan 0.000 0.441 31 W N 2.290 123.451 121.300 -0.231 0.000 2.418 31 W HA -0.076 4.584 4.660 -0.000 0.000 0.292 31 W C 2.052 178.447 176.519 -0.206 0.000 1.213 31 W CA 1.466 58.661 57.345 -0.250 0.000 1.283 31 W CB -0.266 28.889 29.460 -0.508 0.000 1.119 31 W HN 0.186 nan 8.180 nan 0.000 0.542 32 D N -0.870 119.505 120.400 -0.041 0.000 2.104 32 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 32 D C 2.087 178.429 176.300 0.070 0.000 0.994 32 D CA 2.436 56.483 54.000 0.077 0.000 0.830 32 D CB -0.687 40.154 40.800 0.068 0.000 0.959 32 D HN -0.013 nan 8.370 nan 0.000 0.452 33 T N 0.083 114.643 114.554 0.010 0.000 2.708 33 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 33 T C 1.666 176.382 174.700 0.026 0.000 1.037 33 T CA 0.669 62.766 62.100 -0.006 0.000 1.146 33 T CB -0.557 68.274 68.868 -0.061 0.000 0.865 33 T HN 0.087 nan 8.240 nan 0.000 0.435 34 F N 1.590 121.432 119.950 -0.181 0.000 2.095 34 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 34 F C 2.379 178.159 175.800 -0.033 0.000 1.104 34 F CA 0.413 58.290 58.000 -0.205 0.000 1.232 34 F CB -0.747 37.960 39.000 -0.489 0.000 0.987 34 F HN 0.165 nan 8.300 nan 0.000 0.475 35 C N 0.133 119.525 119.300 0.153 0.000 2.437 35 C HA 0.053 4.513 4.460 -0.000 0.000 0.283 35 C C 2.887 177.900 174.990 0.038 0.000 1.424 35 C CA 0.872 59.981 59.018 0.153 0.000 1.782 35 C CB -2.105 25.812 27.740 0.295 0.000 1.833 35 C HN 0.546 nan 8.230 nan 0.000 0.532 36 A N -0.834 121.990 122.820 0.007 0.000 2.218 36 A HA 0.052 4.372 4.320 -0.000 0.000 0.209 36 A C 0.937 178.486 177.584 -0.057 0.000 1.168 36 A CA 0.619 52.649 52.037 -0.013 0.000 0.804 36 A CB -0.103 18.896 19.000 -0.002 0.000 0.834 36 A HN 0.595 nan 8.150 nan 0.000 0.482 37 Q N 1.298 121.021 119.800 -0.127 0.000 2.267 37 Q HA 0.284 4.624 4.340 -0.000 0.000 0.255 37 Q C -2.562 173.347 176.000 -0.152 0.000 0.923 37 Q CA -2.175 53.532 55.803 -0.160 0.000 0.925 37 Q CB 1.051 29.638 28.738 -0.251 0.000 1.195 37 Q HN 0.281 nan 8.270 nan 0.000 0.417 38 P HA 0.035 nan 4.420 nan 0.000 0.271 38 P C 0.567 177.817 177.300 -0.082 0.000 1.216 38 P CA 0.548 63.607 63.100 -0.069 0.000 0.771 38 P CB 0.691 32.365 31.700 -0.044 0.000 0.864 39 G N 3.125 111.891 108.800 -0.056 0.000 2.176 39 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.253 39 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.253 39 G C 1.100 175.965 174.900 -0.058 0.000 0.979 39 G CA 0.113 45.189 45.100 -0.040 0.000 0.641 39 G HN 0.494 nan 8.290 nan 0.000 0.530 40 K N -0.254 120.053 120.400 -0.155 0.000 2.116 40 K HA 0.219 4.539 4.320 -0.000 0.000 0.203 40 K C 1.187 177.787 176.600 0.001 0.000 1.052 40 K CA 0.778 56.912 56.287 -0.255 0.000 0.952 40 K CB 0.233 32.180 32.500 -0.922 0.000 0.729 40 K HN 0.466 nan 8.250 nan 0.000 0.446 41 I N 0.876 121.483 120.570 0.063 0.000 2.354 41 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 41 I C 1.353 177.560 176.117 0.150 0.000 0.989 41 I CA -0.755 60.668 61.300 0.205 0.000 1.188 41 I CB 0.908 39.098 38.000 0.317 0.000 1.342 41 I HN -0.083 nan 8.210 nan 0.000 0.457 42 A N 5.507 128.418 122.820 0.152 0.000 1.917 42 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 42 A C 1.347 178.993 177.584 0.103 0.000 1.182 42 A CA 2.195 54.302 52.037 0.117 0.000 0.633 42 A CB -0.489 18.582 19.000 0.118 0.000 0.819 42 A HN 0.808 nan 8.150 nan 0.000 0.448 43 D N -2.615 117.859 120.400 0.123 0.000 2.368 43 D HA 0.315 4.955 4.640 -0.000 0.000 0.218 43 D C 1.036 177.410 176.300 0.123 0.000 1.112 43 D CA 0.635 54.706 54.000 0.119 0.000 0.834 43 D CB -0.724 40.161 40.800 0.141 0.000 0.953 43 D HN 0.837 nan 8.370 nan 0.000 0.505 44 G N 0.533 109.408 108.800 0.126 0.000 2.179 44 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.257 44 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.257 44 G C 0.408 175.396 174.900 0.148 0.000 1.010 44 G CA 0.689 45.855 45.100 0.110 0.000 0.736 44 G HN 0.806 nan 8.290 nan 0.000 0.513 45 S N -0.962 114.882 115.700 0.241 0.000 2.738 45 S HA 0.911 5.380 4.470 -0.000 0.000 0.284 45 S C 0.313 175.094 174.600 0.303 0.000 1.146 45 S CA 0.669 59.053 58.200 0.307 0.000 0.997 45 S CB 2.379 65.886 63.200 0.512 0.000 1.081 45 S HN 1.983 nan 8.310 nan 0.000 0.553 46 S N -1.586 114.193 115.700 0.131 0.000 2.688 46 S HA 0.662 5.132 4.470 -0.000 0.000 0.275 46 S C 0.537 174.719 174.600 -0.696 0.000 1.175 46 S CA -0.456 57.607 58.200 -0.228 0.000 0.818 46 S CB 0.686 63.870 63.200 -0.026 0.000 1.157 46 S HN 1.281 nan 8.310 nan 0.000 0.482 47 G N 0.391 108.621 108.800 -0.950 0.000 3.124 47 G HA2 0.240 4.200 3.960 -0.000 0.000 0.212 47 G HA3 0.240 4.200 3.960 -0.000 0.000 0.212 47 G C 1.215 175.783 174.900 -0.554 0.000 1.181 47 G CA 0.355 44.756 45.100 -1.164 0.000 0.803 47 G HN 1.259 nan 8.290 nan 0.000 0.529 48 V N -1.009 118.738 119.914 -0.278 0.000 2.250 48 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 48 V C 2.312 178.312 176.094 -0.157 0.000 1.065 48 V CA 2.798 65.003 62.300 -0.158 0.000 1.039 48 V CB -1.239 30.530 31.823 -0.089 0.000 0.647 48 V HN 0.221 nan 8.190 nan 0.000 0.446 49 T N -1.513 112.953 114.554 -0.148 0.000 3.038 49 T HA 0.547 4.897 4.350 -0.000 0.000 0.244 49 T C 1.388 176.033 174.700 -0.091 0.000 1.016 49 T CA 1.184 63.215 62.100 -0.114 0.000 1.098 49 T CB 0.393 69.195 68.868 -0.110 0.000 0.954 49 T HN 1.331 nan 8.240 nan 0.000 0.469 50 A N 0.914 123.690 122.820 -0.072 0.000 5.395 50 A HA -0.316 4.004 4.320 -0.000 0.000 0.324 50 A C 1.771 179.422 177.584 0.112 0.000 1.813 50 A CA 1.657 53.734 52.037 0.067 0.000 0.714 50 A CB -1.744 17.226 19.000 -0.049 0.000 1.374 50 A HN 0.633 nan 8.150 nan 0.000 0.390 51 C N -0.276 119.071 119.300 0.079 0.000 2.697 51 C HA 0.454 4.913 4.460 -0.000 0.000 0.267 51 C C 1.060 176.039 174.990 -0.017 0.000 1.278 51 C CA 0.992 60.030 59.018 0.033 0.000 1.708 51 C CB -1.145 26.582 27.740 -0.021 0.000 1.860 51 C HN 1.028 nan 8.230 nan 0.000 0.589 52 D N 0.590 120.982 120.400 -0.014 0.000 2.837 52 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 52 D C 1.214 177.500 176.300 -0.023 0.000 1.152 52 D CA 0.970 54.958 54.000 -0.020 0.000 0.736 52 D CB -1.178 39.612 40.800 -0.017 0.000 1.084 52 D HN 0.413 nan 8.370 nan 0.000 0.429 53 S N -1.344 114.336 115.700 -0.034 0.000 2.419 53 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 53 S C 1.414 175.974 174.600 -0.066 0.000 1.016 53 S CA 0.939 59.101 58.200 -0.063 0.000 0.974 53 S CB -0.288 62.871 63.200 -0.068 0.000 0.786 53 S HN 0.611 nan 8.310 nan 0.000 0.492 54 Y N 2.822 123.034 120.300 -0.147 0.000 2.207 54 Y HA -0.120 4.430 4.550 -0.000 0.000 0.287 54 Y C 1.681 177.522 175.900 -0.098 0.000 1.156 54 Y CA 1.414 59.406 58.100 -0.180 0.000 1.182 54 Y CB -0.150 38.161 38.460 -0.248 0.000 0.979 54 Y HN 0.238 nan 8.280 nan 0.000 0.521 55 N N 0.043 118.752 118.700 0.014 0.000 2.280 55 N HA 0.080 4.820 4.740 -0.000 0.000 0.192 55 N C 0.032 175.499 175.510 -0.071 0.000 1.109 55 N CA 0.396 53.430 53.050 -0.027 0.000 0.855 55 N CB 0.189 38.694 38.487 0.030 0.000 0.974 55 N HN 0.407 nan 8.380 nan 0.000 0.482 56 R N 0.038 120.480 120.500 -0.097 0.000 2.698 56 R HA 0.117 4.457 4.340 -0.000 0.000 0.422 56 R C 1.191 177.417 176.300 -0.122 0.000 1.073 56 R CA 0.043 56.082 56.100 -0.102 0.000 1.054 56 R CB 0.192 30.434 30.300 -0.097 0.000 1.373 56 R HN 0.110 nan 8.270 nan 0.000 0.593 57 T N -2.095 112.371 114.554 -0.146 0.000 2.746 57 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 57 T C 2.100 176.795 174.700 -0.009 0.000 1.039 57 T CA 1.354 63.391 62.100 -0.105 0.000 1.142 57 T CB -0.005 68.779 68.868 -0.140 0.000 0.866 57 T HN 0.243 nan 8.240 nan 0.000 0.444 58 A N 1.927 124.720 122.820 -0.045 0.000 1.902 58 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 58 A C 2.273 179.814 177.584 -0.072 0.000 1.181 58 A CA 1.820 53.826 52.037 -0.051 0.000 0.623 58 A CB -0.753 18.212 19.000 -0.057 0.000 0.818 58 A HN 0.561 nan 8.150 nan 0.000 0.443 59 E N 0.337 120.486 120.200 -0.086 0.000 2.106 59 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 59 E C 1.496 178.021 176.600 -0.126 0.000 0.984 59 E CA 1.341 57.676 56.400 -0.108 0.000 0.806 59 E CB -0.188 29.443 29.700 -0.116 0.000 0.750 59 E HN 0.554 nan 8.360 nan 0.000 0.458 60 D N -0.072 120.255 120.400 -0.122 0.000 2.149 60 D HA -0.062 4.578 4.640 -0.000 0.000 0.201 60 D C 1.915 178.104 176.300 -0.185 0.000 0.972 60 D CA 0.652 54.557 54.000 -0.158 0.000 0.835 60 D CB -0.096 40.617 40.800 -0.144 0.000 0.966 60 D HN 0.183 nan 8.370 nan 0.000 0.476 61 I N 1.162 121.659 120.570 -0.122 0.000 2.179 61 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 61 I C 2.463 178.497 176.117 -0.138 0.000 1.088 61 I CA 1.071 62.283 61.300 -0.146 0.000 1.357 61 I CB -0.274 37.660 38.000 -0.111 0.000 1.051 61 I HN -0.072 nan 8.210 nan 0.000 0.409 62 A N 0.814 123.564 122.820 -0.117 0.000 1.908 62 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 62 A C 2.272 179.785 177.584 -0.118 0.000 1.181 62 A CA 1.799 53.772 52.037 -0.106 0.000 0.627 62 A CB -0.854 18.087 19.000 -0.099 0.000 0.818 62 A HN 0.409 nan 8.150 nan 0.000 0.445 63 L N -0.248 120.886 121.223 -0.147 0.000 1.994 63 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 63 L C 2.320 179.094 176.870 -0.162 0.000 1.071 63 L CA 1.840 56.581 54.840 -0.165 0.000 0.745 63 L CB -0.614 41.324 42.059 -0.203 0.000 0.892 63 L HN 0.403 nan 8.230 nan 0.000 0.431 64 L N -0.398 120.712 121.223 -0.187 0.000 2.021 64 L HA -0.278 4.062 4.340 -0.000 0.000 0.215 64 L C 2.715 179.545 176.870 -0.066 0.000 1.074 64 L CA 1.501 56.258 54.840 -0.137 0.000 0.760 64 L CB -0.767 41.169 42.059 -0.206 0.000 0.889 64 L HN 0.266 nan 8.230 nan 0.000 0.433 65 K N -0.162 120.189 120.400 -0.082 0.000 2.057 65 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 65 K C 2.349 178.938 176.600 -0.018 0.000 1.050 65 K CA 1.687 57.943 56.287 -0.053 0.000 0.935 65 K CB -0.596 31.867 32.500 -0.062 0.000 0.715 65 K HN 0.454 nan 8.250 nan 0.000 0.439 66 S N 1.020 116.702 115.700 -0.030 0.000 2.419 66 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 66 S C 1.928 176.553 174.600 0.041 0.000 1.016 66 S CA 0.839 59.034 58.200 -0.009 0.000 0.974 66 S CB -0.396 62.781 63.200 -0.040 0.000 0.786 66 S HN 0.240 nan 8.310 nan 0.000 0.492 67 L N 0.664 121.927 121.223 0.067 0.000 2.592 67 L HA 0.351 4.691 4.340 -0.000 0.000 0.227 67 L C 1.827 178.895 176.870 0.330 0.000 1.127 67 L CA 0.307 55.265 54.840 0.196 0.000 0.884 67 L CB -0.588 41.580 42.059 0.182 0.000 1.065 67 L HN 0.586 nan 8.230 nan 0.000 0.457 68 G N 0.598 109.507 108.800 0.182 0.000 2.136 68 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.242 68 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.242 68 G C 0.353 175.194 174.900 -0.099 0.000 0.989 68 G CA 0.056 45.248 45.100 0.153 0.000 0.682 68 G HN 0.480 nan 8.290 nan 0.000 0.522 69 A N -0.232 122.461 122.820 -0.212 0.000 2.409 69 A HA 0.685 5.005 4.320 -0.000 0.000 0.267 69 A C 1.034 178.362 177.584 -0.427 0.000 1.127 69 A CA 0.640 52.300 52.037 -0.629 0.000 0.795 69 A CB 0.376 19.267 19.000 -0.183 0.000 1.061 69 A HN 0.384 nan 8.150 nan 0.000 0.502 70 K N 1.061 121.119 120.400 -0.571 0.000 2.358 70 K HA 0.212 4.532 4.320 -0.000 0.000 0.200 70 K C -0.382 176.101 176.600 -0.195 0.000 1.030 70 K CA 0.278 56.387 56.287 -0.297 0.000 1.097 70 K CB 0.524 32.878 32.500 -0.242 0.000 0.862 70 K HN 0.576 nan 8.250 nan 0.000 0.534 71 S N 0.054 115.617 115.700 -0.230 0.000 2.549 71 S HA 0.430 4.900 4.470 -0.000 0.000 0.280 71 S C -1.890 172.875 174.600 0.275 0.000 1.109 71 S CA -0.729 57.492 58.200 0.034 0.000 0.905 71 S CB 1.589 64.718 63.200 -0.118 0.000 1.081 71 S HN 0.173 nan 8.310 nan 0.000 0.477 72 Y N 1.995 122.483 120.300 0.313 0.000 2.396 72 Y HA 0.530 5.080 4.550 -0.000 0.000 0.332 72 Y C -0.750 175.368 175.900 0.363 0.000 1.034 72 Y CA -0.871 57.445 58.100 0.360 0.000 1.057 72 Y CB 1.108 39.726 38.460 0.264 0.000 1.220 72 Y HN 0.704 nan 8.280 nan 0.000 0.440 73 R N 7.156 127.563 120.500 -0.154 0.000 2.338 73 R HA 0.640 4.980 4.340 -0.000 0.000 0.317 73 R C -1.752 174.300 176.300 -0.413 0.000 0.968 73 R CA -0.348 55.499 56.100 -0.421 0.000 0.849 73 R CB 0.591 30.449 30.300 -0.737 0.000 1.128 73 R HN 0.649 nan 8.270 nan 0.000 0.448 74 F N 0.272 119.966 119.950 -0.426 0.000 2.711 74 F HA 0.580 5.107 4.527 -0.000 0.000 0.313 74 F C -1.198 174.562 175.800 -0.066 0.000 1.141 74 F CA -1.078 56.755 58.000 -0.279 0.000 0.941 74 F CB 1.288 40.103 39.000 -0.309 0.000 1.349 74 F HN 0.423 nan 8.300 nan 0.000 0.464 75 S N 1.458 117.241 115.700 0.139 0.000 2.648 75 S HA 0.784 5.254 4.470 -0.000 0.000 0.305 75 S C -1.150 173.526 174.600 0.127 0.000 1.094 75 S CA -0.781 57.451 58.200 0.054 0.000 0.983 75 S CB 1.696 64.981 63.200 0.140 0.000 1.101 75 S HN 0.663 nan 8.310 nan 0.000 0.514 76 I N 2.446 123.010 120.570 -0.010 0.000 2.331 76 I HA 0.325 4.494 4.170 -0.000 0.000 0.292 76 I C 0.620 176.827 176.117 0.150 0.000 0.998 76 I CA -0.308 60.890 61.300 -0.170 0.000 1.267 76 I CB 1.289 39.157 38.000 -0.221 0.000 1.386 76 I HN 0.854 nan 8.210 nan 0.000 0.476 77 S N 6.708 122.577 115.700 0.283 0.000 2.414 77 S HA 0.014 4.484 4.470 -0.000 0.000 0.290 77 S C 1.015 175.826 174.600 0.352 0.000 1.160 77 S CA -0.434 57.959 58.200 0.321 0.000 1.069 77 S CB -0.046 63.351 63.200 0.329 0.000 1.012 77 S HN 0.627 nan 8.310 nan 0.000 0.510 78 W N 4.920 126.237 121.300 0.029 0.000 2.305 78 W HA -0.222 4.438 4.660 -0.000 0.000 0.308 78 W C 2.140 178.613 176.519 -0.076 0.000 1.226 78 W CA 2.194 59.385 57.345 -0.257 0.000 1.253 78 W CB -1.256 27.881 29.460 -0.539 0.000 1.146 78 W HN 0.855 nan 8.180 nan 0.000 0.507 79 S N -0.090 115.751 115.700 0.235 0.000 2.603 79 S HA -0.008 4.462 4.470 -0.000 0.000 0.229 79 S C 1.749 176.441 174.600 0.153 0.000 0.972 79 S CA 0.564 58.834 58.200 0.118 0.000 0.935 79 S CB -0.354 62.855 63.200 0.016 0.000 0.769 79 S HN 0.338 nan 8.310 nan 0.000 0.536 80 R N 0.102 120.737 120.500 0.225 0.000 2.161 80 R HA 0.228 4.568 4.340 -0.000 0.000 0.213 80 R C 1.467 177.927 176.300 0.267 0.000 1.055 80 R CA 0.728 56.960 56.100 0.221 0.000 0.996 80 R CB -0.120 30.366 30.300 0.312 0.000 0.901 80 R HN 0.421 nan 8.270 nan 0.000 0.456 81 I N 0.390 121.158 120.570 0.330 0.000 2.556 81 I HA 0.042 4.212 4.170 -0.000 0.000 0.251 81 I C 1.028 177.309 176.117 0.273 0.000 1.105 81 I CA 1.047 62.542 61.300 0.324 0.000 1.436 81 I CB 0.004 38.240 38.000 0.393 0.000 1.139 81 I HN -0.028 nan 8.210 nan 0.000 0.438 82 I N 1.662 122.422 120.570 0.316 0.000 2.563 82 I HA 0.193 4.363 4.170 -0.000 0.000 0.276 82 I C -1.856 174.359 176.117 0.165 0.000 1.074 82 I CA -1.379 60.072 61.300 0.251 0.000 1.124 82 I CB 1.851 40.053 38.000 0.337 0.000 1.225 82 I HN -0.193 nan 8.210 nan 0.000 0.482 83 P HA -0.193 nan 4.420 nan 0.000 0.216 83 P C 1.155 178.452 177.300 -0.004 0.000 1.153 83 P CA 1.462 64.592 63.100 0.050 0.000 0.858 83 P CB 0.305 32.032 31.700 0.044 0.000 0.789 84 E N -2.178 118.025 120.200 0.004 0.000 2.299 84 E HA 0.050 4.400 4.350 -0.000 0.000 0.193 84 E C 1.782 178.330 176.600 -0.086 0.000 0.998 84 E CA 1.168 57.548 56.400 -0.034 0.000 0.851 84 E CB -0.342 29.357 29.700 -0.001 0.000 0.795 84 E HN 0.286 nan 8.360 nan 0.000 0.492 85 G N 0.664 109.437 108.800 -0.045 0.000 2.313 85 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 85 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 85 G C 0.722 175.751 174.900 0.217 0.000 1.023 85 G CA -0.016 45.010 45.100 -0.124 0.000 0.626 85 G HN 0.556 nan 8.290 nan 0.000 0.503 86 G N 0.043 108.948 108.800 0.175 0.000 2.537 86 G HA2 0.526 4.485 3.960 -0.000 0.000 0.273 86 G HA3 0.526 4.485 3.960 -0.000 0.000 0.273 86 G C 1.036 176.068 174.900 0.220 0.000 1.189 86 G CA 0.380 45.624 45.100 0.241 0.000 0.881 86 G HN 0.867 nan 8.290 nan 0.000 0.535 87 R N 0.013 120.631 120.500 0.198 0.000 2.241 87 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 87 R C 1.567 177.931 176.300 0.105 0.000 1.101 87 R CA 1.220 57.402 56.100 0.137 0.000 0.995 87 R CB -0.069 30.292 30.300 0.103 0.000 0.870 87 R HN 0.459 nan 8.270 nan 0.000 0.463 88 G N 0.478 109.342 108.800 0.108 0.000 3.126 88 G HA2 0.034 3.994 3.960 -0.000 0.000 0.224 88 G HA3 0.034 3.994 3.960 -0.000 0.000 0.224 88 G C -0.391 174.558 174.900 0.081 0.000 1.142 88 G CA -0.325 44.825 45.100 0.084 0.000 0.759 88 G HN 0.197 nan 8.290 nan 0.000 0.550 89 D N 0.582 121.040 120.400 0.096 0.000 2.332 89 D HA 0.510 5.150 4.640 -0.000 0.000 0.252 89 D C 0.365 176.716 176.300 0.086 0.000 1.050 89 D CA -0.244 53.808 54.000 0.086 0.000 0.970 89 D CB 1.765 42.619 40.800 0.090 0.000 1.141 89 D HN 0.102 nan 8.370 nan 0.000 0.485 90 A N 0.802 123.666 122.820 0.074 0.000 2.477 90 A HA 0.315 4.635 4.320 -0.000 0.000 0.246 90 A C 0.323 177.962 177.584 0.091 0.000 1.078 90 A CA -0.389 51.692 52.037 0.073 0.000 0.770 90 A CB 0.253 19.289 19.000 0.060 0.000 1.011 90 A HN 0.328 nan 8.150 nan 0.000 0.494 91 V N 2.120 122.089 119.914 0.093 0.000 2.953 91 V HA 0.150 4.270 4.120 -0.000 0.000 0.304 91 V C 0.530 176.687 176.094 0.103 0.000 1.073 91 V CA -0.360 62.006 62.300 0.110 0.000 1.064 91 V CB 1.327 33.211 31.823 0.102 0.000 1.047 91 V HN 0.940 nan 8.190 nan 0.000 0.478 92 N N 1.627 120.400 118.700 0.123 0.000 2.621 92 N HA 0.219 4.959 4.740 -0.000 0.000 0.237 92 N C 0.523 176.109 175.510 0.127 0.000 0.997 92 N CA -0.376 52.742 53.050 0.114 0.000 0.918 92 N CB 1.421 39.979 38.487 0.119 0.000 1.122 92 N HN 0.615 nan 8.380 nan 0.000 0.510 93 Q N 3.329 123.193 119.800 0.106 0.000 2.170 93 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 93 Q C 1.524 177.596 176.000 0.120 0.000 0.976 93 Q CA 1.886 57.754 55.803 0.108 0.000 0.858 93 Q CB -0.137 28.652 28.738 0.085 0.000 0.907 93 Q HN 0.703 nan 8.270 nan 0.000 0.433 94 A N -0.471 122.416 122.820 0.112 0.000 1.978 94 A HA -0.076 4.244 4.320 -0.000 0.000 0.220 94 A C 2.198 179.882 177.584 0.166 0.000 1.170 94 A CA 1.634 53.744 52.037 0.121 0.000 0.636 94 A CB -1.176 17.884 19.000 0.101 0.000 0.810 94 A HN 0.538 nan 8.150 nan 0.000 0.448 95 G N -0.162 108.749 108.800 0.185 0.000 2.394 95 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.214 95 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.214 95 G C 1.524 176.628 174.900 0.340 0.000 1.176 95 G CA 0.916 46.167 45.100 0.251 0.000 0.786 95 G HN 0.453 nan 8.290 nan 0.000 0.533 96 I N 1.201 121.945 120.570 0.290 0.000 2.163 96 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 96 I C 2.300 178.570 176.117 0.255 0.000 1.085 96 I CA 1.295 62.768 61.300 0.289 0.000 1.347 96 I CB -0.228 37.888 38.000 0.193 0.000 1.044 96 I HN 0.054 nan 8.210 nan 0.000 0.408 97 D N -0.243 120.269 120.400 0.186 0.000 2.123 97 D HA -0.260 4.380 4.640 -0.000 0.000 0.196 97 D C 1.947 178.316 176.300 0.115 0.000 0.992 97 D CA 1.605 55.686 54.000 0.135 0.000 0.833 97 D CB -0.501 40.361 40.800 0.103 0.000 0.954 97 D HN 0.473 nan 8.370 nan 0.000 0.455 98 H N -0.628 118.445 119.070 0.005 0.000 2.319 98 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 98 H C 1.732 176.998 175.328 -0.103 0.000 1.092 98 H CA 1.820 57.770 56.048 -0.163 0.000 1.302 98 H CB -0.305 29.244 29.762 -0.355 0.000 1.373 98 H HN 0.165 nan 8.280 nan 0.000 0.497 99 Y N -0.753 119.644 120.300 0.162 0.000 2.286 99 Y HA -0.077 4.473 4.550 -0.000 0.000 0.293 99 Y C 2.757 178.748 175.900 0.151 0.000 1.124 99 Y CA 0.925 59.138 58.100 0.189 0.000 1.178 99 Y CB -0.436 38.225 38.460 0.335 0.000 1.010 99 Y HN 0.085 nan 8.280 nan 0.000 0.536 100 V N 0.626 120.696 119.914 0.259 0.000 2.282 100 V HA -0.369 3.751 4.120 -0.000 0.000 0.249 100 V C 2.413 178.559 176.094 0.087 0.000 1.057 100 V CA 2.375 64.770 62.300 0.159 0.000 1.032 100 V CB -0.632 31.267 31.823 0.128 0.000 0.645 100 V HN 0.339 nan 8.190 nan 0.000 0.447 101 K N -0.693 119.730 120.400 0.038 0.000 2.057 101 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 101 K C 2.158 178.752 176.600 -0.010 0.000 1.049 101 K CA 1.818 58.097 56.287 -0.012 0.000 0.931 101 K CB -0.314 32.152 32.500 -0.057 0.000 0.714 101 K HN 0.345 nan 8.250 nan 0.000 0.440 102 F N 1.366 121.186 119.950 -0.217 0.000 2.095 102 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 102 F C 1.870 177.615 175.800 -0.092 0.000 1.104 102 F CA 1.235 59.098 58.000 -0.229 0.000 1.232 102 F CB -0.554 38.247 39.000 -0.332 0.000 0.987 102 F HN -0.185 nan 8.300 nan 0.000 0.475 103 V N 0.438 120.319 119.914 -0.055 0.000 2.343 103 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 103 V C 2.179 178.200 176.094 -0.121 0.000 1.051 103 V CA 2.187 64.427 62.300 -0.099 0.000 1.036 103 V CB -0.732 31.127 31.823 0.060 0.000 0.654 103 V HN 0.249 nan 8.190 nan 0.000 0.451 104 D N 0.103 120.463 120.400 -0.065 0.000 2.123 104 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 104 D C 1.921 178.161 176.300 -0.100 0.000 0.992 104 D CA 1.500 55.464 54.000 -0.061 0.000 0.833 104 D CB -0.353 40.429 40.800 -0.029 0.000 0.954 104 D HN 0.424 nan 8.370 nan 0.000 0.455 105 D N 0.051 120.371 120.400 -0.133 0.000 2.144 105 D HA -0.069 4.570 4.640 -0.000 0.000 0.200 105 D C 2.384 178.560 176.300 -0.208 0.000 0.978 105 D CA 0.282 54.194 54.000 -0.147 0.000 0.833 105 D CB -0.283 40.446 40.800 -0.119 0.000 0.961 105 D HN 0.222 nan 8.370 nan 0.000 0.470 106 L N 0.239 121.261 121.223 -0.335 0.000 2.017 106 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 106 L C 2.557 179.325 176.870 -0.170 0.000 1.073 106 L CA 0.749 55.398 54.840 -0.317 0.000 0.745 106 L CB -0.309 41.503 42.059 -0.411 0.000 0.894 106 L HN 0.032 nan 8.230 nan 0.000 0.432 107 L N -0.680 120.461 121.223 -0.137 0.000 2.083 107 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 107 L C 2.171 178.998 176.870 -0.073 0.000 1.083 107 L CA 0.991 55.780 54.840 -0.086 0.000 0.752 107 L CB -0.639 41.379 42.059 -0.069 0.000 0.899 107 L HN 0.289 nan 8.230 nan 0.000 0.433 108 D N 0.295 120.649 120.400 -0.078 0.000 2.178 108 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 108 D C 1.954 178.216 176.300 -0.062 0.000 0.980 108 D CA 1.434 55.396 54.000 -0.062 0.000 0.842 108 D CB 0.099 40.862 40.800 -0.061 0.000 0.948 108 D HN 0.320 nan 8.370 nan 0.000 0.472 109 A N -0.496 122.276 122.820 -0.080 0.000 2.251 109 A HA 0.434 4.754 4.320 -0.000 0.000 0.209 109 A C 1.579 179.121 177.584 -0.069 0.000 1.187 109 A CA 0.823 52.814 52.037 -0.077 0.000 0.823 109 A CB -0.153 18.788 19.000 -0.098 0.000 0.846 109 A HN 0.202 nan 8.150 nan 0.000 0.486 110 G N -0.538 108.224 108.800 -0.063 0.000 2.176 110 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 110 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 110 G C -0.086 174.780 174.900 -0.057 0.000 1.024 110 G CA 0.431 45.499 45.100 -0.053 0.000 0.755 110 G HN 0.503 nan 8.290 nan 0.000 0.507 111 I N 0.899 121.432 120.570 -0.062 0.000 2.378 111 I HA 0.348 4.517 4.170 -0.000 0.000 0.291 111 I C 0.362 176.479 176.117 -0.000 0.000 0.992 111 I CA -0.711 60.565 61.300 -0.040 0.000 1.154 111 I CB 1.995 39.962 38.000 -0.057 0.000 1.315 111 I HN 0.000 nan 8.210 nan 0.000 0.448 112 T N 7.775 122.363 114.554 0.057 0.000 2.749 112 T HA 0.283 4.633 4.350 -0.000 0.000 0.295 112 T C -2.404 172.413 174.700 0.194 0.000 0.936 112 T CA -1.122 61.031 62.100 0.088 0.000 1.060 112 T CB 0.702 69.645 68.868 0.125 0.000 0.904 112 T HN 0.330 nan 8.240 nan 0.000 0.500 113 P HA 0.345 nan 4.420 nan 0.000 0.280 113 P C -1.056 176.182 177.300 -0.103 0.000 1.244 113 P CA -0.453 62.714 63.100 0.112 0.000 0.784 113 P CB 0.473 32.203 31.700 0.050 0.000 0.913 114 F N 2.948 122.699 119.950 -0.333 0.000 2.403 114 F HA 0.438 4.965 4.527 -0.000 0.000 0.355 114 F C 0.507 175.905 175.800 -0.671 0.000 1.119 114 F CA -0.714 56.980 58.000 -0.511 0.000 1.007 114 F CB 1.169 39.831 39.000 -0.563 0.000 1.194 114 F HN 0.027 nan 8.300 nan 0.000 0.443 115 I N 3.362 123.549 120.570 -0.637 0.000 2.362 115 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 115 I C -0.281 175.658 176.117 -0.297 0.000 0.994 115 I CA -0.474 60.392 61.300 -0.723 0.000 1.158 115 I CB 1.815 39.259 38.000 -0.927 0.000 1.315 115 I HN 0.429 nan 8.210 nan 0.000 0.451 116 T N 6.988 121.407 114.554 -0.225 0.000 2.771 116 T HA 0.328 4.678 4.350 -0.000 0.000 0.291 116 T C 1.317 176.045 174.700 0.047 0.000 0.954 116 T CA -0.370 61.725 62.100 -0.008 0.000 1.045 116 T CB 1.404 70.312 68.868 0.067 0.000 0.917 116 T HN 0.420 nan 8.240 nan 0.000 0.484 117 L N 2.017 123.304 121.223 0.107 0.000 2.095 117 L HA 0.272 4.612 4.340 -0.000 0.000 0.204 117 L C 0.535 177.635 176.870 0.383 0.000 1.080 117 L CA 0.948 55.861 54.840 0.121 0.000 0.759 117 L CB 0.065 42.060 42.059 -0.107 0.000 0.914 117 L HN 0.528 nan 8.230 nan 0.000 0.439 118 F N -0.718 119.321 119.950 0.148 0.000 2.500 118 F HA 0.295 4.822 4.527 -0.000 0.000 0.349 118 F C -0.011 175.932 175.800 0.238 0.000 1.127 118 F CA -0.696 57.433 58.000 0.215 0.000 0.998 118 F CB 0.656 39.628 39.000 -0.047 0.000 1.237 118 F HN -0.094 nan 8.300 nan 0.000 0.439 119 H N 6.311 125.280 119.070 -0.169 0.000 2.429 119 H HA 0.213 4.769 4.556 -0.000 0.000 0.237 119 H C -0.602 174.519 175.328 -0.346 0.000 1.378 119 H CA -0.121 55.798 56.048 -0.215 0.000 1.170 119 H CB 0.050 29.717 29.762 -0.158 0.000 1.671 119 H HN 0.790 nan 8.280 nan 0.000 0.541 120 W N -0.203 120.723 121.300 -0.623 0.000 1.277 120 W HA -0.250 4.409 4.660 -0.000 0.000 0.236 120 W C 0.061 176.383 176.519 -0.328 0.000 0.973 120 W CA 0.882 57.965 57.345 -0.437 0.000 0.390 120 W CB -2.005 27.276 29.460 -0.298 0.000 1.977 120 W HN 0.594 nan 8.180 nan 0.000 1.223 121 D N 1.442 121.744 120.400 -0.163 0.000 2.994 121 D HA 0.355 4.995 4.640 -0.000 0.000 0.240 121 D C 0.438 176.736 176.300 -0.003 0.000 1.195 121 D CA -0.240 53.777 54.000 0.029 0.000 0.957 121 D CB -0.681 40.174 40.800 0.092 0.000 1.105 121 D HN 0.108 nan 8.370 nan 0.000 0.477 122 L N 0.911 122.183 121.223 0.082 0.000 2.525 122 L HA 0.177 4.517 4.340 -0.000 0.000 0.278 122 L C -2.351 174.451 176.870 -0.113 0.000 1.218 122 L CA -1.053 53.884 54.840 0.161 0.000 0.878 122 L CB 0.141 42.352 42.059 0.254 0.000 1.127 122 L HN -0.007 nan 8.230 nan 0.000 0.492 123 P HA 0.025 nan 4.420 nan 0.000 0.267 123 P C -0.036 177.135 177.300 -0.215 0.000 1.205 123 P CA 0.045 62.953 63.100 -0.320 0.000 0.765 123 P CB 0.722 32.102 31.700 -0.533 0.000 0.828 124 E N 3.424 123.542 120.200 -0.137 0.000 2.160 124 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 124 E C 2.132 178.681 176.600 -0.084 0.000 0.991 124 E CA 2.122 58.468 56.400 -0.090 0.000 0.810 124 E CB -1.040 28.617 29.700 -0.072 0.000 0.742 124 E HN 0.573 nan 8.360 nan 0.000 0.466 125 G N 0.648 109.377 108.800 -0.118 0.000 2.469 125 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 125 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 125 G C 1.528 176.307 174.900 -0.201 0.000 1.136 125 G CA 1.058 46.085 45.100 -0.122 0.000 0.759 125 G HN 0.321 nan 8.290 nan 0.000 0.562 126 L N -0.793 120.262 121.223 -0.280 0.000 2.109 126 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 126 L C 2.576 179.109 176.870 -0.562 0.000 1.086 126 L CA 1.236 55.769 54.840 -0.512 0.000 0.760 126 L CB -0.541 41.287 42.059 -0.386 0.000 0.910 126 L HN 0.295 nan 8.230 nan 0.000 0.437 127 H N 0.094 118.957 119.070 -0.345 0.000 2.319 127 H HA -0.172 4.384 4.556 -0.000 0.000 0.299 127 H C 2.344 177.550 175.328 -0.204 0.000 1.092 127 H CA 1.683 57.591 56.048 -0.234 0.000 1.302 127 H CB 0.248 29.915 29.762 -0.158 0.000 1.373 127 H HN 0.180 nan 8.280 nan 0.000 0.497 128 Q N 0.133 119.838 119.800 -0.160 0.000 2.172 128 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 128 Q C 2.491 178.386 176.000 -0.175 0.000 0.964 128 Q CA 1.120 56.830 55.803 -0.154 0.000 0.855 128 Q CB -0.209 28.491 28.738 -0.064 0.000 0.918 128 Q HN 0.514 nan 8.270 nan 0.000 0.444 129 R N 0.120 120.478 120.500 -0.237 0.000 2.066 129 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 129 R C 0.932 177.205 176.300 -0.045 0.000 1.131 129 R CA 1.699 57.708 56.100 -0.151 0.000 0.955 129 R CB 0.184 30.391 30.300 -0.155 0.000 0.851 129 R HN 0.419 nan 8.270 nan 0.000 0.432 130 Y N -4.771 115.506 120.300 -0.038 0.000 2.888 130 Y HA 0.440 4.990 4.550 -0.000 0.000 0.260 130 Y C 0.420 176.283 175.900 -0.062 0.000 1.113 130 Y CA -0.227 57.855 58.100 -0.031 0.000 1.237 130 Y CB 0.534 39.002 38.460 0.013 0.000 1.307 130 Y HN 0.137 nan 8.280 nan 0.000 0.580 131 G N 0.530 109.258 108.800 -0.119 0.000 2.141 131 G HA2 0.022 3.982 3.960 -0.000 0.000 0.242 131 G HA3 0.022 3.982 3.960 -0.000 0.000 0.242 131 G C 1.240 176.112 174.900 -0.045 0.000 0.982 131 G CA 0.349 45.360 45.100 -0.148 0.000 0.662 131 G HN 1.617 nan 8.290 nan 0.000 0.527 132 G N 0.029 108.778 108.800 -0.085 0.000 2.660 132 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.321 132 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.321 132 G C 1.267 176.190 174.900 0.039 0.000 1.246 132 G CA 1.044 46.148 45.100 0.007 0.000 1.000 132 G HN 1.283 nan 8.290 nan 0.000 0.550 133 L N 0.773 121.858 121.223 -0.229 0.000 2.353 133 L HA 0.084 4.424 4.340 -0.000 0.000 0.220 133 L C 2.791 179.464 176.870 -0.328 0.000 1.133 133 L CA 0.623 55.133 54.840 -0.550 0.000 0.798 133 L CB -0.401 41.326 42.059 -0.553 0.000 0.922 133 L HN 0.404 nan 8.230 nan 0.000 0.445 134 L N -0.783 120.331 121.223 -0.181 0.000 2.478 134 L HA -0.040 4.300 4.340 -0.000 0.000 0.223 134 L C 1.094 177.952 176.870 -0.020 0.000 1.140 134 L CA 0.223 54.980 54.840 -0.139 0.000 0.842 134 L CB -0.301 41.707 42.059 -0.085 0.000 0.953 134 L HN 0.260 nan 8.230 nan 0.000 0.452 135 N N 0.670 119.416 118.700 0.076 0.000 2.437 135 N HA 0.040 4.780 4.740 -0.000 0.000 0.243 135 N C 0.916 176.474 175.510 0.081 0.000 1.041 135 N CA 0.080 53.180 53.050 0.084 0.000 0.940 135 N CB 1.133 39.685 38.487 0.108 0.000 1.133 135 N HN 0.067 nan 8.380 nan 0.000 0.506 136 R N 1.891 122.420 120.500 0.048 0.000 2.152 136 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 136 R C 0.801 177.132 176.300 0.052 0.000 1.117 136 R CA 1.661 57.803 56.100 0.069 0.000 0.981 136 R CB 0.396 30.729 30.300 0.055 0.000 0.870 136 R HN 0.499 nan 8.270 nan 0.000 0.451 137 T N -0.260 114.293 114.554 -0.002 0.000 3.045 137 T HA 0.064 4.414 4.350 -0.000 0.000 0.239 137 T C 1.282 175.932 174.700 -0.083 0.000 1.008 137 T CA 0.195 62.277 62.100 -0.030 0.000 1.143 137 T CB 0.100 68.942 68.868 -0.042 0.000 0.894 137 T HN 0.118 nan 8.240 nan 0.000 0.451 138 E N 1.215 121.282 120.200 -0.222 0.000 2.072 138 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 138 E C 1.857 178.321 176.600 -0.226 0.000 0.985 138 E CA 0.798 56.927 56.400 -0.451 0.000 0.801 138 E CB -0.446 28.499 29.700 -1.258 0.000 0.750 138 E HN 0.421 nan 8.360 nan 0.000 0.452 139 F N 1.913 121.777 119.950 -0.144 0.000 2.102 139 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 139 F C -0.893 175.046 175.800 0.231 0.000 1.105 139 F CA 1.059 59.162 58.000 0.172 0.000 1.239 139 F CB -1.193 37.932 39.000 0.208 0.000 0.991 139 F HN 0.030 nan 8.300 nan 0.000 0.474 140 P HA -0.156 nan 4.420 nan 0.000 0.217 140 P C 2.103 179.375 177.300 -0.046 0.000 1.150 140 P CA 1.688 64.738 63.100 -0.085 0.000 0.832 140 P CB -0.104 31.611 31.700 0.025 0.000 0.787 141 L N -0.559 120.650 121.223 -0.022 0.000 2.012 141 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 141 L C 1.964 178.850 176.870 0.028 0.000 1.073 141 L CA 1.602 56.440 54.840 -0.003 0.000 0.748 141 L CB -1.010 41.045 42.059 -0.006 0.000 0.891 141 L HN -0.017 nan 8.230 nan 0.000 0.431 142 D N -0.591 119.865 120.400 0.094 0.000 2.149 142 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 142 D C 1.911 178.348 176.300 0.229 0.000 0.972 142 D CA 0.995 55.145 54.000 0.250 0.000 0.835 142 D CB -0.100 40.981 40.800 0.468 0.000 0.966 142 D HN 0.171 nan 8.370 nan 0.000 0.476 143 F N 1.911 121.779 119.950 -0.136 0.000 2.113 143 F HA -0.110 4.417 4.527 -0.000 0.000 0.297 143 F C 2.295 177.913 175.800 -0.304 0.000 1.103 143 F CA 1.384 59.184 58.000 -0.334 0.000 1.248 143 F CB -0.083 38.577 39.000 -0.567 0.000 0.999 143 F HN -0.120 nan 8.300 nan 0.000 0.475 144 E N 0.069 120.130 120.200 -0.231 0.000 2.085 144 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 144 E C 2.241 178.628 176.600 -0.355 0.000 0.994 144 E CA 1.350 57.574 56.400 -0.294 0.000 0.801 144 E CB -0.526 29.110 29.700 -0.106 0.000 0.743 144 E HN 0.526 nan 8.360 nan 0.000 0.453 145 N N -0.133 118.438 118.700 -0.215 0.000 2.058 145 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 145 N C 2.053 177.393 175.510 -0.283 0.000 1.037 145 N CA 1.582 54.535 53.050 -0.160 0.000 0.848 145 N CB -0.429 38.049 38.487 -0.016 0.000 1.021 145 N HN 0.328 nan 8.380 nan 0.000 0.422 146 Y N 1.349 121.344 120.300 -0.509 0.000 2.114 146 Y HA -0.248 4.302 4.550 -0.000 0.000 0.282 146 Y C 2.503 177.829 175.900 -0.956 0.000 1.165 146 Y CA 2.316 59.965 58.100 -0.752 0.000 1.148 146 Y CB -0.493 37.189 38.460 -1.296 0.000 0.972 146 Y HN 0.204 nan 8.280 nan 0.000 0.504 147 A N 0.941 122.878 122.820 -1.472 0.000 1.883 147 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 147 A C 2.239 178.693 177.584 -1.884 0.000 1.186 147 A CA 2.047 52.958 52.037 -1.876 0.000 0.624 147 A CB -0.744 17.268 19.000 -1.647 0.000 0.822 147 A HN 0.600 nan 8.150 nan 0.000 0.444 148 R N -0.784 119.074 120.500 -1.070 0.000 2.096 148 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 148 R C 2.041 178.011 176.300 -0.550 0.000 1.127 148 R CA 1.363 57.069 56.100 -0.658 0.000 0.968 148 R CB -0.626 29.560 30.300 -0.191 0.000 0.861 148 R HN 0.401 nan 8.270 nan 0.000 0.440 149 V N 1.152 120.774 119.914 -0.486 0.000 2.287 149 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 149 V C 2.372 178.247 176.094 -0.365 0.000 1.053 149 V CA 1.698 63.814 62.300 -0.306 0.000 1.027 149 V CB -0.342 31.367 31.823 -0.191 0.000 0.646 149 V HN 0.288 nan 8.190 nan 0.000 0.447 150 M N -1.067 118.142 119.600 -0.652 0.000 2.175 150 M HA -0.069 4.411 4.480 -0.000 0.000 0.264 150 M C 2.179 178.229 176.300 -0.417 0.000 1.063 150 M CA 1.628 56.611 55.300 -0.528 0.000 1.119 150 M CB -1.398 30.754 32.600 -0.747 0.000 1.377 150 M HN 0.315 nan 8.290 nan 0.000 0.415 151 F N 0.392 119.844 119.950 -0.830 0.000 2.134 151 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 151 F C 2.669 178.186 175.800 -0.472 0.000 1.097 151 F CA 1.186 58.623 58.000 -0.939 0.000 1.264 151 F CB -1.343 36.553 39.000 -1.840 0.000 1.001 151 F HN 0.194 nan 8.300 nan 0.000 0.479 152 R N 0.291 120.702 120.500 -0.149 0.000 2.075 152 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 152 R C 2.273 178.645 176.300 0.120 0.000 1.126 152 R CA 1.183 57.377 56.100 0.157 0.000 0.963 152 R CB -0.377 30.020 30.300 0.162 0.000 0.858 152 R HN 0.196 nan 8.270 nan 0.000 0.435 153 A N 0.306 123.163 122.820 0.061 0.000 2.014 153 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 153 A C 1.113 178.785 177.584 0.146 0.000 1.163 153 A CA 0.702 52.799 52.037 0.100 0.000 0.652 153 A CB 0.125 19.179 19.000 0.090 0.000 0.808 153 A HN 0.292 nan 8.150 nan 0.000 0.449 154 L N 0.341 121.683 121.223 0.199 0.000 2.784 154 L HA 0.243 4.583 4.340 -0.000 0.000 0.241 154 L C -1.836 175.195 176.870 0.269 0.000 1.352 154 L CA -1.197 53.784 54.840 0.236 0.000 0.911 154 L CB 1.244 43.476 42.059 0.288 0.000 1.227 154 L HN 0.135 nan 8.230 nan 0.000 0.501 155 P HA -0.115 nan 4.420 nan 0.000 0.226 155 P C 0.935 178.324 177.300 0.149 0.000 1.153 155 P CA 0.988 64.214 63.100 0.210 0.000 0.777 155 P CB 0.290 32.091 31.700 0.168 0.000 0.794 156 K N -0.410 120.047 120.400 0.094 0.000 2.365 156 K HA 0.072 4.392 4.320 -0.000 0.000 0.199 156 K C 0.720 177.305 176.600 -0.024 0.000 1.045 156 K CA 0.201 56.508 56.287 0.033 0.000 0.962 156 K CB -0.113 32.393 32.500 0.010 0.000 0.759 156 K HN 0.048 nan 8.250 nan 0.000 0.469 157 V N 1.997 121.882 119.914 -0.048 0.000 2.715 157 V HA 0.035 4.155 4.120 -0.000 0.000 0.299 157 V C 1.178 177.138 176.094 -0.223 0.000 1.054 157 V CA 0.132 62.258 62.300 -0.290 0.000 1.077 157 V CB 1.261 32.685 31.823 -0.665 0.000 0.972 157 V HN 0.249 nan 8.190 nan 0.000 0.484 158 R N 1.911 122.192 120.500 -0.365 0.000 2.487 158 R HA 0.258 4.598 4.340 -0.000 0.000 0.272 158 R C -0.323 175.742 176.300 -0.392 0.000 0.928 158 R CA -0.029 55.940 56.100 -0.220 0.000 1.077 158 R CB 0.443 30.656 30.300 -0.146 0.000 1.265 158 R HN 0.617 nan 8.270 nan 0.000 0.537 159 N N 0.204 118.438 118.700 -0.778 0.000 2.531 159 N HA 0.189 4.929 4.740 -0.000 0.000 0.268 159 N C -1.282 173.737 175.510 -0.819 0.000 1.023 159 N CA -0.170 52.338 53.050 -0.903 0.000 0.896 159 N CB 1.192 38.596 38.487 -1.804 0.000 1.233 159 N HN -0.076 nan 8.380 nan 0.000 0.512 160 W N 2.112 123.206 121.300 -0.343 0.000 2.666 160 W HA 0.611 5.271 4.660 -0.000 0.000 0.334 160 W C 0.063 176.564 176.519 -0.030 0.000 1.051 160 W CA -0.610 56.584 57.345 -0.252 0.000 1.224 160 W CB 1.468 30.686 29.460 -0.403 0.000 1.405 160 W HN 0.188 nan 8.180 nan 0.000 0.513 161 I N 2.403 123.122 120.570 0.248 0.000 2.465 161 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 161 I C 1.198 177.426 176.117 0.185 0.000 1.014 161 I CA -0.428 61.003 61.300 0.218 0.000 1.093 161 I CB 2.255 40.353 38.000 0.164 0.000 1.267 161 I HN 0.623 nan 8.210 nan 0.000 0.431 162 T N 2.880 117.554 114.554 0.201 0.000 2.623 162 T HA 0.113 4.463 4.350 -0.000 0.000 0.254 162 T C 0.334 175.034 174.700 -0.000 0.000 1.075 162 T CA 1.029 63.253 62.100 0.206 0.000 1.177 162 T CB -0.127 69.023 68.868 0.471 0.000 0.869 162 T HN 0.208 nan 8.240 nan 0.000 0.403 163 F N 1.687 121.719 119.950 0.137 0.000 2.532 163 F HA 0.548 5.075 4.527 -0.000 0.000 0.321 163 F C -0.016 175.799 175.800 0.026 0.000 1.089 163 F CA -1.421 56.651 58.000 0.120 0.000 0.926 163 F CB 1.570 40.533 39.000 -0.061 0.000 1.168 163 F HN 0.133 nan 8.300 nan 0.000 0.459 164 N N 1.755 120.571 118.700 0.192 0.000 2.426 164 N HA 0.206 4.946 4.740 -0.000 0.000 0.257 164 N C -1.031 174.546 175.510 0.112 0.000 1.002 164 N CA -0.092 52.923 53.050 -0.059 0.000 0.942 164 N CB 0.317 38.395 38.487 -0.680 0.000 1.112 164 N HN 0.651 nan 8.380 nan 0.000 0.499 165 E N 1.953 122.167 120.200 0.024 0.000 2.240 165 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 165 E C -1.764 174.775 176.600 -0.103 0.000 1.385 165 E CA -0.037 56.379 56.400 0.027 0.000 0.686 165 E CB -0.502 29.327 29.700 0.216 0.000 1.125 165 E HN 0.666 nan 8.360 nan 0.000 0.359 166 P HA -0.225 nan 4.420 nan 0.000 0.217 166 P C 1.552 178.533 177.300 -0.531 0.000 1.148 166 P CA 1.027 63.733 63.100 -0.656 0.000 0.828 166 P CB 0.094 30.965 31.700 -1.381 0.000 0.783 167 L N -0.289 120.686 121.223 -0.414 0.000 2.043 167 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 167 L C 2.284 179.092 176.870 -0.102 0.000 1.075 167 L CA 2.014 56.850 54.840 -0.006 0.000 0.752 167 L CB -0.852 41.389 42.059 0.302 0.000 0.891 167 L HN -0.020 nan 8.230 nan 0.000 0.432 168 C N -1.040 118.132 119.300 -0.213 0.000 2.440 168 C HA -0.092 4.368 4.460 -0.000 0.000 0.278 168 C C 2.957 177.614 174.990 -0.555 0.000 1.295 168 C CA 1.048 59.821 59.018 -0.408 0.000 1.738 168 C CB -0.959 26.451 27.740 -0.549 0.000 1.987 168 C HN 0.609 nan 8.230 nan 0.000 0.492 169 S N 0.747 116.112 115.700 -0.557 0.000 2.383 169 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 169 S C 2.106 176.642 174.600 -0.106 0.000 1.026 169 S CA 1.393 59.383 58.200 -0.351 0.000 0.981 169 S CB -0.278 62.828 63.200 -0.157 0.000 0.818 169 S HN 0.726 nan 8.310 nan 0.000 0.472 170 A N 1.066 123.818 122.820 -0.114 0.000 1.850 170 A HA 0.192 4.511 4.320 -0.000 0.000 0.212 170 A C 2.033 179.597 177.584 -0.034 0.000 1.208 170 A CA 0.667 52.691 52.037 -0.021 0.000 0.609 170 A CB -0.564 18.448 19.000 0.020 0.000 0.860 170 A HN 0.409 nan 8.150 nan 0.000 0.448 171 I N -0.090 120.424 120.570 -0.093 0.000 2.141 171 I HA -0.084 4.086 4.170 -0.000 0.000 0.236 171 I C -0.735 175.234 176.117 -0.247 0.000 1.071 171 I CA 1.024 62.211 61.300 -0.189 0.000 1.345 171 I CB -0.954 36.948 38.000 -0.164 0.000 1.066 171 I HN 0.166 nan 8.210 nan 0.000 0.406 172 P HA -0.113 nan 4.420 nan 0.000 0.220 172 P C 1.453 178.530 177.300 -0.372 0.000 1.148 172 P CA 1.528 64.339 63.100 -0.482 0.000 0.803 172 P CB -0.163 30.956 31.700 -0.968 0.000 0.782 173 G N -2.535 106.078 108.800 -0.312 0.000 2.430 173 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 173 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 173 G C 0.717 175.214 174.900 -0.672 0.000 1.146 173 G CA 0.562 45.372 45.100 -0.485 0.000 0.793 173 G HN 0.279 nan 8.290 nan 0.000 0.537 174 Y N -1.057 119.095 120.300 -0.246 0.000 2.540 174 Y HA 0.312 4.862 4.550 -0.000 0.000 0.257 174 Y C 2.335 178.108 175.900 -0.213 0.000 1.090 174 Y CA -0.015 57.960 58.100 -0.208 0.000 1.242 174 Y CB 0.827 39.165 38.460 -0.203 0.000 1.325 174 Y HN 0.160 nan 8.280 nan 0.000 0.544 175 G N -0.200 108.526 108.800 -0.124 0.000 2.729 175 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.211 175 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.211 175 G C 1.594 176.412 174.900 -0.135 0.000 1.182 175 G CA 0.768 45.774 45.100 -0.157 0.000 0.851 175 G HN 0.269 nan 8.290 nan 0.000 0.607 176 S N -0.606 114.996 115.700 -0.164 0.000 2.503 176 S HA 0.350 4.820 4.470 -0.000 0.000 0.217 176 S C 1.914 176.440 174.600 -0.123 0.000 0.999 176 S CA 1.162 59.278 58.200 -0.140 0.000 0.914 176 S CB 0.177 63.279 63.200 -0.164 0.000 0.782 176 S HN 1.659 nan 8.310 nan 0.000 0.520 177 G N 1.470 110.172 108.800 -0.163 0.000 2.148 177 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 177 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 177 G C 0.884 175.768 174.900 -0.026 0.000 0.981 177 G CA 1.023 46.048 45.100 -0.125 0.000 0.670 177 G HN 0.993 nan 8.290 nan 0.000 0.528 178 T N -2.865 111.637 114.554 -0.087 0.000 3.023 178 T HA 0.430 4.779 4.350 -0.000 0.000 0.266 178 T C 0.873 175.730 174.700 0.262 0.000 1.093 178 T CA 0.909 63.040 62.100 0.052 0.000 1.129 178 T CB 0.126 68.921 68.868 -0.122 0.000 0.899 178 T HN 0.272 nan 8.240 nan 0.000 0.491 179 F N 1.579 121.341 119.950 -0.314 0.000 2.575 179 F HA 0.785 5.312 4.527 -0.000 0.000 0.330 179 F C 0.655 175.462 175.800 -1.655 0.000 1.056 179 F CA -2.865 54.699 58.000 -0.727 0.000 0.964 179 F CB 0.892 39.656 39.000 -0.392 0.000 1.258 179 F HN 0.138 nan 8.300 nan 0.000 0.484 180 A N 2.921 124.342 122.820 -2.330 0.000 2.531 180 A HA 0.294 4.614 4.320 -0.000 0.000 0.236 180 A C -1.755 175.157 177.584 -1.120 0.000 1.062 180 A CA -0.656 50.166 52.037 -2.024 0.000 0.760 180 A CB -0.571 17.185 19.000 -2.073 0.000 0.995 180 A HN 0.514 nan 8.150 nan 0.000 0.501 181 P HA 0.132 nan 4.420 nan 0.000 0.253 181 P C 0.750 177.723 177.300 -0.545 0.000 1.260 181 P CA 0.959 63.572 63.100 -0.810 0.000 0.800 181 P CB 0.107 31.347 31.700 -0.766 0.000 1.162 182 G N 0.381 108.818 108.800 -0.604 0.000 2.149 182 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.235 182 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.235 182 G C 0.020 174.818 174.900 -0.170 0.000 1.018 182 G CA -0.470 44.526 45.100 -0.174 0.000 0.728 182 G HN 0.351 nan 8.290 nan 0.000 0.508 183 R N -0.400 119.910 120.500 -0.315 0.000 2.528 183 R HA 0.625 4.965 4.340 -0.000 0.000 0.271 183 R C 0.154 176.370 176.300 -0.139 0.000 1.056 183 R CA -0.244 55.740 56.100 -0.193 0.000 1.117 183 R CB 0.748 30.941 30.300 -0.178 0.000 1.085 183 R HN 0.394 nan 8.270 nan 0.000 0.530 184 Q N 0.795 120.553 119.800 -0.071 0.000 2.303 184 Q HA 0.365 4.705 4.340 -0.000 0.000 0.267 184 Q C -1.346 174.635 176.000 -0.033 0.000 1.011 184 Q CA -0.441 55.327 55.803 -0.059 0.000 0.740 184 Q CB 2.430 31.137 28.738 -0.051 0.000 1.250 184 Q HN 0.481 nan 8.270 nan 0.000 0.458 185 S N 0.127 115.805 115.700 -0.036 0.000 2.537 185 S HA 0.342 4.812 4.470 -0.000 0.000 0.270 185 S C 0.489 175.070 174.600 -0.030 0.000 1.142 185 S CA -0.335 57.852 58.200 -0.021 0.000 0.870 185 S CB 1.533 64.730 63.200 -0.005 0.000 1.112 185 S HN 0.656 nan 8.310 nan 0.000 0.466 186 T N 0.162 114.722 114.554 0.010 0.000 3.113 186 T HA 0.109 4.458 4.350 -0.000 0.000 0.256 186 T C 1.341 176.133 174.700 0.153 0.000 1.131 186 T CA 1.103 63.245 62.100 0.070 0.000 1.074 186 T CB -0.273 68.636 68.868 0.068 0.000 0.944 186 T HN 0.664 nan 8.240 nan 0.000 0.516 187 S N 0.519 116.264 115.700 0.075 0.000 2.665 187 S HA 0.217 4.687 4.470 -0.000 0.000 0.240 187 S C 1.690 176.288 174.600 -0.004 0.000 1.081 187 S CA -0.257 58.024 58.200 0.135 0.000 0.887 187 S CB -0.144 63.106 63.200 0.083 0.000 0.805 187 S HN 0.451 nan 8.310 nan 0.000 0.486 188 E N 2.571 122.722 120.200 -0.081 0.000 2.118 188 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 188 E C -0.901 175.525 176.600 -0.289 0.000 0.992 188 E CA 1.596 57.912 56.400 -0.139 0.000 0.804 188 E CB -1.122 28.560 29.700 -0.030 0.000 0.741 188 E HN 0.500 nan 8.360 nan 0.000 0.458 189 P HA -0.177 nan 4.420 nan 0.000 0.216 189 P C 0.465 177.528 177.300 -0.395 0.000 1.150 189 P CA 1.241 64.008 63.100 -0.555 0.000 0.837 189 P CB -0.229 30.886 31.700 -0.974 0.000 0.786 190 W N -0.908 120.394 121.300 0.004 0.000 2.418 190 W HA -0.060 4.600 4.660 -0.000 0.000 0.292 190 W C 2.277 178.802 176.519 0.009 0.000 1.213 190 W CA 0.897 58.230 57.345 -0.020 0.000 1.283 190 W CB -1.952 27.382 29.460 -0.210 0.000 1.119 190 W HN -0.152 nan 8.180 nan 0.000 0.542 191 T N 0.965 115.566 114.554 0.079 0.000 2.708 191 T HA -0.202 4.147 4.350 -0.000 0.000 0.266 191 T C 1.919 176.601 174.700 -0.030 0.000 1.037 191 T CA 1.759 63.861 62.100 0.004 0.000 1.146 191 T CB -0.798 68.030 68.868 -0.068 0.000 0.865 191 T HN -0.098 nan 8.240 nan 0.000 0.435 192 V N 1.509 121.316 119.914 -0.179 0.000 2.287 192 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 192 V C 2.882 178.896 176.094 -0.133 0.000 1.053 192 V CA 2.082 64.204 62.300 -0.296 0.000 1.027 192 V CB -1.424 30.036 31.823 -0.604 0.000 0.646 192 V HN 0.618 nan 8.190 nan 0.000 0.447 193 G N -1.320 107.509 108.800 0.048 0.000 2.440 193 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 193 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 193 G C 1.443 176.430 174.900 0.145 0.000 1.154 193 G CA 1.373 46.541 45.100 0.112 0.000 0.767 193 G HN 0.637 nan 8.290 nan 0.000 0.552 194 H N 1.081 120.228 119.070 0.129 0.000 2.319 194 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 194 H C 2.553 177.882 175.328 0.002 0.000 1.092 194 H CA 1.942 58.039 56.048 0.081 0.000 1.302 194 H CB 0.036 29.812 29.762 0.023 0.000 1.373 194 H HN 0.236 nan 8.280 nan 0.000 0.497 195 N N 0.058 118.793 118.700 0.058 0.000 2.244 195 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 195 N C 2.018 177.526 175.510 -0.003 0.000 1.016 195 N CA 1.212 54.291 53.050 0.048 0.000 0.866 195 N CB -0.119 38.406 38.487 0.063 0.000 0.980 195 N HN 0.457 nan 8.380 nan 0.000 0.430 196 I N 0.741 121.192 120.570 -0.198 0.000 2.252 196 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 196 I C 2.040 177.900 176.117 -0.428 0.000 1.102 196 I CA 0.714 61.681 61.300 -0.556 0.000 1.385 196 I CB -0.174 37.295 38.000 -0.884 0.000 1.064 196 I HN 0.047 nan 8.210 nan 0.000 0.414 197 L N -0.017 121.085 121.223 -0.203 0.000 2.042 197 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 197 L C 2.572 179.456 176.870 0.024 0.000 1.076 197 L CA 1.148 55.951 54.840 -0.061 0.000 0.749 197 L CB -0.519 41.548 42.059 0.014 0.000 0.893 197 L HN 0.088 nan 8.230 nan 0.000 0.432 198 V N -0.185 119.702 119.914 -0.045 0.000 2.358 198 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 198 V C 2.725 178.860 176.094 0.068 0.000 1.047 198 V CA 1.724 64.031 62.300 0.013 0.000 1.035 198 V CB -0.890 30.926 31.823 -0.011 0.000 0.658 198 V HN 0.481 nan 8.190 nan 0.000 0.452 199 A N -0.079 122.786 122.820 0.076 0.000 1.883 199 A HA -0.327 3.993 4.320 -0.000 0.000 0.217 199 A C 2.118 179.889 177.584 0.311 0.000 1.186 199 A CA 2.464 54.585 52.037 0.140 0.000 0.624 199 A CB -0.919 18.097 19.000 0.027 0.000 0.822 199 A HN 0.792 nan 8.150 nan 0.000 0.444 200 H N -0.446 118.748 119.070 0.207 0.000 2.319 200 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 200 H C 2.125 177.546 175.328 0.154 0.000 1.092 200 H CA 2.271 58.481 56.048 0.271 0.000 1.302 200 H CB -0.693 29.141 29.762 0.120 0.000 1.373 200 H HN 0.312 nan 8.280 nan 0.000 0.497 201 G N 0.383 109.167 108.800 -0.026 0.000 2.440 201 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.218 201 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.218 201 G C 1.782 176.643 174.900 -0.066 0.000 1.154 201 G CA 0.762 45.804 45.100 -0.097 0.000 0.767 201 G HN 0.389 nan 8.290 nan 0.000 0.552 202 R N 0.410 120.917 120.500 0.011 0.000 2.081 202 R HA -0.003 4.337 4.340 -0.000 0.000 0.235 202 R C 3.041 179.348 176.300 0.011 0.000 1.131 202 R CA 1.196 57.307 56.100 0.019 0.000 0.960 202 R CB -0.416 29.908 30.300 0.041 0.000 0.856 202 R HN 0.368 nan 8.270 nan 0.000 0.436 203 A N 0.690 123.533 122.820 0.039 0.000 1.898 203 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 203 A C 2.379 179.985 177.584 0.036 0.000 1.181 203 A CA 1.237 53.280 52.037 0.011 0.000 0.620 203 A CB -0.497 18.528 19.000 0.041 0.000 0.819 203 A HN 0.104 nan 8.150 nan 0.000 0.442 204 V N 0.368 120.228 119.914 -0.090 0.000 2.295 204 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 204 V C 2.552 178.632 176.094 -0.024 0.000 1.049 204 V CA 2.451 64.688 62.300 -0.105 0.000 1.024 204 V CB -0.677 30.975 31.823 -0.285 0.000 0.648 204 V HN 0.703 nan 8.190 nan 0.000 0.447 205 K N 0.187 120.565 120.400 -0.037 0.000 2.063 205 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 205 K C 2.180 178.786 176.600 0.010 0.000 1.048 205 K CA 1.634 57.909 56.287 -0.020 0.000 0.928 205 K CB -0.348 32.139 32.500 -0.022 0.000 0.713 205 K HN 0.432 nan 8.250 nan 0.000 0.442 206 A N 0.349 123.204 122.820 0.058 0.000 1.877 206 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 206 A C 2.072 179.772 177.584 0.194 0.000 1.186 206 A CA 1.505 53.626 52.037 0.139 0.000 0.620 206 A CB -0.939 18.167 19.000 0.176 0.000 0.822 206 A HN 0.568 nan 8.150 nan 0.000 0.443 207 Y N 0.659 120.919 120.300 -0.066 0.000 2.089 207 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 207 Y C 2.550 178.348 175.900 -0.170 0.000 1.139 207 Y CA 2.170 60.036 58.100 -0.391 0.000 1.123 207 Y CB -0.426 37.574 38.460 -0.766 0.000 0.980 207 Y HN 0.265 nan 8.280 nan 0.000 0.493 208 R N -0.122 120.275 120.500 -0.172 0.000 2.105 208 R HA -0.160 4.179 4.340 -0.000 0.000 0.239 208 R C 1.700 177.875 176.300 -0.207 0.000 1.135 208 R CA 1.591 57.565 56.100 -0.211 0.000 0.967 208 R CB -0.318 29.937 30.300 -0.076 0.000 0.861 208 R HN 0.388 nan 8.270 nan 0.000 0.442 209 D N -0.077 120.238 120.400 -0.143 0.000 2.137 209 D HA -0.071 4.569 4.640 -0.000 0.000 0.202 209 D C 0.909 177.090 176.300 -0.198 0.000 0.970 209 D CA 1.150 55.069 54.000 -0.135 0.000 0.837 209 D CB 0.022 40.769 40.800 -0.087 0.000 0.981 209 D HN 0.134 nan 8.370 nan 0.000 0.475 210 D N -1.878 118.379 120.400 -0.239 0.000 2.474 210 D HA 0.140 4.780 4.640 -0.000 0.000 0.213 210 D C 0.808 176.600 176.300 -0.846 0.000 1.120 210 D CA 0.073 53.781 54.000 -0.485 0.000 0.836 210 D CB 0.541 41.038 40.800 -0.504 0.000 1.019 210 D HN 0.204 nan 8.370 nan 0.000 0.507 211 F N 0.346 120.074 119.950 -0.369 0.000 2.754 211 F HA 0.216 4.743 4.527 -0.000 0.000 0.316 211 F C 0.972 176.444 175.800 -0.546 0.000 0.959 211 F CA -0.473 57.281 58.000 -0.410 0.000 1.148 211 F CB 0.692 39.441 39.000 -0.418 0.000 0.951 211 F HN -0.365 nan 8.300 nan 0.000 0.625 212 K N 3.206 123.182 120.400 -0.706 0.000 2.412 212 K HA 0.182 4.502 4.320 -0.000 0.000 0.281 212 K C -2.431 174.010 176.600 -0.265 0.000 1.027 212 K CA -1.500 54.394 56.287 -0.654 0.000 0.989 212 K CB 0.432 32.489 32.500 -0.738 0.000 0.935 212 K HN -0.173 nan 8.250 nan 0.000 0.475 213 P HA -0.023 nan 4.420 nan 0.000 0.269 213 P C -0.422 176.836 177.300 -0.070 0.000 1.209 213 P CA 0.014 63.069 63.100 -0.075 0.000 0.776 213 P CB 0.944 32.629 31.700 -0.025 0.000 0.876 214 A N 1.641 124.425 122.820 -0.060 0.000 2.119 214 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 214 A C 1.067 178.637 177.584 -0.024 0.000 1.153 214 A CA 1.045 53.054 52.037 -0.047 0.000 0.692 214 A CB -0.807 18.166 19.000 -0.045 0.000 0.799 214 A HN 0.607 nan 8.150 nan 0.000 0.458 215 S N -0.867 114.824 115.700 -0.015 0.000 2.617 215 S HA 0.511 4.981 4.470 -0.000 0.000 0.283 215 S C 0.590 175.199 174.600 0.014 0.000 1.189 215 S CA -0.030 58.171 58.200 0.002 0.000 1.036 215 S CB 1.390 64.592 63.200 0.003 0.000 1.014 215 S HN 0.690 nan 8.310 nan 0.000 0.522 216 G N 1.320 110.137 108.800 0.028 0.000 2.789 216 G HA2 0.221 4.181 3.960 -0.000 0.000 0.281 216 G HA3 0.221 4.181 3.960 -0.000 0.000 0.281 216 G C 0.137 175.069 174.900 0.053 0.000 0.708 216 G CA -0.289 44.840 45.100 0.048 0.000 2.067 216 G HN 0.823 nan 8.290 nan 0.000 0.554 217 D N 1.575 122.005 120.400 0.051 0.000 3.195 217 D HA 0.081 4.721 4.640 -0.000 0.000 0.245 217 D C 1.692 178.030 176.300 0.064 0.000 1.462 217 D CA 0.527 54.555 54.000 0.047 0.000 1.259 217 D CB -0.104 40.712 40.800 0.028 0.000 1.199 217 D HN 0.344 nan 8.370 nan 0.000 0.345 218 G N 1.040 109.900 108.800 0.099 0.000 2.484 218 G HA2 0.375 4.335 3.960 -0.000 0.000 0.235 218 G HA3 0.375 4.335 3.960 -0.000 0.000 0.235 218 G C -0.263 174.801 174.900 0.273 0.000 1.282 218 G CA 0.297 45.523 45.100 0.211 0.000 0.857 218 G HN 0.421 nan 8.290 nan 0.000 0.571 219 Q N -0.088 119.869 119.800 0.261 0.000 2.472 219 Q HA 0.692 5.032 4.340 -0.000 0.000 0.281 219 Q C -1.645 174.489 176.000 0.223 0.000 0.997 219 Q CA -1.026 54.952 55.803 0.291 0.000 0.828 219 Q CB 2.063 30.991 28.738 0.315 0.000 1.443 219 Q HN 0.561 nan 8.270 nan 0.000 0.390 220 I N 0.145 120.838 120.570 0.204 0.000 2.802 220 I HA 0.866 5.036 4.170 -0.000 0.000 0.298 220 I C -1.170 174.799 176.117 -0.247 0.000 1.176 220 I CA -0.462 60.856 61.300 0.030 0.000 1.025 220 I CB 2.318 40.176 38.000 -0.237 0.000 1.243 220 I HN 0.948 nan 8.210 nan 0.000 0.424 221 G N 5.874 114.425 108.800 -0.415 0.000 2.559 221 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 221 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 221 G C -2.204 172.567 174.900 -0.216 0.000 1.424 221 G CA -0.625 44.099 45.100 -0.626 0.000 0.786 221 G HN 0.670 nan 8.290 nan 0.000 0.485 222 I N -0.317 120.115 120.570 -0.230 0.000 2.676 222 I HA 0.671 4.841 4.170 -0.000 0.000 0.309 222 I C -0.471 175.549 176.117 -0.161 0.000 0.990 222 I CA -1.072 60.115 61.300 -0.189 0.000 1.168 222 I CB 1.984 39.687 38.000 -0.496 0.000 1.343 222 I HN 0.225 nan 8.210 nan 0.000 0.482 223 V N 7.179 127.048 119.914 -0.075 0.000 2.384 223 V HA 0.406 4.526 4.120 -0.000 0.000 0.287 223 V C -0.304 175.736 176.094 -0.089 0.000 1.020 223 V CA -0.519 61.761 62.300 -0.034 0.000 0.850 223 V CB 1.386 33.233 31.823 0.041 0.000 0.987 223 V HN 0.434 nan 8.190 nan 0.000 0.436 224 L N 5.964 127.145 121.223 -0.069 0.000 2.341 224 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 224 L C 0.016 176.952 176.870 0.109 0.000 1.005 224 L CA -0.736 54.101 54.840 -0.005 0.000 0.818 224 L CB 2.002 44.086 42.059 0.042 0.000 1.259 224 L HN 0.719 nan 8.230 nan 0.000 0.418 225 N N 1.800 120.575 118.700 0.126 0.000 2.413 225 N HA 0.675 5.415 4.740 -0.000 0.000 0.266 225 N C -0.211 175.252 175.510 -0.077 0.000 1.238 225 N CA -0.369 52.739 53.050 0.097 0.000 0.972 225 N CB 1.735 40.335 38.487 0.188 0.000 1.210 225 N HN 0.678 nan 8.380 nan 0.000 0.547 226 G N -0.397 108.112 108.800 -0.485 0.000 2.169 226 G HA2 0.198 4.158 3.960 -0.000 0.000 0.286 226 G HA3 0.198 4.158 3.960 -0.000 0.000 0.286 226 G C -2.154 172.326 174.900 -0.700 0.000 1.742 226 G CA -0.745 43.719 45.100 -1.059 0.000 0.904 226 G HN 0.573 nan 8.290 nan 0.000 0.735 227 D N 1.028 121.116 120.400 -0.520 0.000 2.198 227 D HA 0.570 5.210 4.640 -0.000 0.000 0.247 227 D C -0.168 176.417 176.300 0.476 0.000 1.010 227 D CA -0.266 53.827 54.000 0.155 0.000 0.880 227 D CB 2.231 43.201 40.800 0.284 0.000 1.209 227 D HN 0.162 nan 8.370 nan 0.000 0.451 228 F N 1.237 121.488 119.950 0.502 0.000 2.399 228 F HA 0.273 4.800 4.527 -0.000 0.000 0.313 228 F C 0.779 176.567 175.800 -0.019 0.000 1.202 228 F CA -0.141 58.000 58.000 0.235 0.000 1.192 228 F CB 0.820 39.929 39.000 0.182 0.000 1.256 228 F HN 0.161 nan 8.300 nan 0.000 0.558 229 T N 0.903 114.732 114.554 -1.208 0.000 2.861 229 T HA 0.579 4.929 4.350 -0.000 0.000 0.287 229 T C -1.472 172.663 174.700 -0.943 0.000 1.003 229 T CA -0.611 61.035 62.100 -0.757 0.000 0.977 229 T CB 1.083 69.634 68.868 -0.528 0.000 0.996 229 T HN 0.378 nan 8.240 nan 0.000 0.448 230 Y N 2.207 122.458 120.300 -0.081 0.000 2.409 230 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 230 Y C -2.361 173.664 175.900 0.208 0.000 0.973 230 Y CA -2.751 55.404 58.100 0.093 0.000 1.064 230 Y CB 2.115 40.678 38.460 0.171 0.000 1.207 230 Y HN 0.501 nan 8.280 nan 0.000 0.452 231 P HA -0.099 nan 4.420 nan 0.000 0.268 231 P C 0.244 177.762 177.300 0.362 0.000 1.204 231 P CA 0.062 63.334 63.100 0.286 0.000 0.768 231 P CB 1.018 32.836 31.700 0.197 0.000 0.842 232 W N 3.747 125.146 121.300 0.166 0.000 2.355 232 W HA -0.116 4.544 4.660 -0.000 0.000 0.309 232 W C 0.169 176.691 176.519 0.005 0.000 1.206 232 W CA 1.592 58.978 57.345 0.069 0.000 1.284 232 W CB 0.065 29.559 29.460 0.057 0.000 1.145 232 W HN 0.254 nan 8.180 nan 0.000 0.502 233 D N -0.664 119.831 120.400 0.158 0.000 2.461 233 D HA 0.310 4.949 4.640 -0.000 0.000 0.240 233 D C 0.973 177.304 176.300 0.053 0.000 1.094 233 D CA 0.235 54.207 54.000 -0.047 0.000 0.868 233 D CB 1.204 42.066 40.800 0.102 0.000 1.062 233 D HN 0.088 nan 8.370 nan 0.000 0.530 234 A N 3.291 126.115 122.820 0.006 0.000 2.070 234 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 234 A C 1.845 179.456 177.584 0.045 0.000 1.159 234 A CA 1.560 53.630 52.037 0.055 0.000 0.656 234 A CB -0.210 18.821 19.000 0.053 0.000 0.800 234 A HN 0.585 nan 8.150 nan 0.000 0.453 235 A N -1.028 121.806 122.820 0.023 0.000 2.251 235 A HA 0.205 4.525 4.320 -0.000 0.000 0.209 235 A C 0.512 178.116 177.584 0.033 0.000 1.187 235 A CA 0.408 52.459 52.037 0.023 0.000 0.823 235 A CB -0.111 18.893 19.000 0.007 0.000 0.846 235 A HN 0.338 nan 8.150 nan 0.000 0.486 236 D N -0.431 120.001 120.400 0.053 0.000 2.349 236 D HA 0.366 5.006 4.640 -0.000 0.000 0.232 236 D C -2.051 174.261 176.300 0.020 0.000 1.071 236 D CA -2.148 51.880 54.000 0.046 0.000 0.832 236 D CB 1.682 42.542 40.800 0.100 0.000 1.086 236 D HN -0.090 nan 8.370 nan 0.000 0.504 237 P HA -0.111 nan 4.420 nan 0.000 0.218 237 P C 0.936 178.207 177.300 -0.047 0.000 1.146 237 P CA 1.148 64.239 63.100 -0.015 0.000 0.813 237 P CB 0.283 31.971 31.700 -0.020 0.000 0.778 238 A N -0.422 122.319 122.820 -0.132 0.000 1.972 238 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 238 A C 1.880 179.400 177.584 -0.107 0.000 1.169 238 A CA 1.915 53.801 52.037 -0.251 0.000 0.635 238 A CB -1.109 17.458 19.000 -0.723 0.000 0.810 238 A HN 0.089 nan 8.150 nan 0.000 0.446 239 D N -0.985 119.426 120.400 0.019 0.000 2.249 239 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 239 D C 1.872 178.233 176.300 0.101 0.000 0.962 239 D CA 1.021 55.112 54.000 0.152 0.000 0.860 239 D CB -0.056 40.903 40.800 0.265 0.000 0.955 239 D HN 0.511 nan 8.370 nan 0.000 0.505 240 K N 0.953 121.392 120.400 0.066 0.000 2.025 240 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 240 K C 1.790 178.409 176.600 0.032 0.000 1.049 240 K CA 1.092 57.411 56.287 0.052 0.000 0.933 240 K CB 0.182 32.711 32.500 0.049 0.000 0.714 240 K HN 0.029 nan 8.250 nan 0.000 0.438 241 E N -0.112 120.101 120.200 0.021 0.000 2.085 241 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 241 E C 1.975 178.590 176.600 0.024 0.000 0.994 241 E CA 1.120 57.532 56.400 0.020 0.000 0.801 241 E CB -0.158 29.545 29.700 0.004 0.000 0.743 241 E HN 0.434 nan 8.360 nan 0.000 0.453 242 A N 1.499 124.337 122.820 0.029 0.000 1.902 242 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 242 A C 2.403 179.990 177.584 0.006 0.000 1.181 242 A CA 1.663 53.717 52.037 0.028 0.000 0.623 242 A CB -0.636 18.407 19.000 0.072 0.000 0.818 242 A HN 0.295 nan 8.150 nan 0.000 0.443 243 A N -0.547 122.274 122.820 0.001 0.000 1.902 243 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 243 A C 1.969 179.477 177.584 -0.127 0.000 1.181 243 A CA 1.727 53.720 52.037 -0.073 0.000 0.623 243 A CB -0.387 18.558 19.000 -0.092 0.000 0.818 243 A HN 0.439 nan 8.150 nan 0.000 0.443 244 E N -0.412 119.753 120.200 -0.058 0.000 2.072 244 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 244 E C 2.164 178.800 176.600 0.060 0.000 0.985 244 E CA 1.121 57.516 56.400 -0.008 0.000 0.801 244 E CB -0.363 29.375 29.700 0.064 0.000 0.750 244 E HN 0.666 nan 8.360 nan 0.000 0.452 245 R N 0.706 121.253 120.500 0.078 0.000 2.096 245 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 245 R C 2.346 178.764 176.300 0.196 0.000 1.127 245 R CA 1.402 57.597 56.100 0.159 0.000 0.968 245 R CB 0.001 30.358 30.300 0.095 0.000 0.861 245 R HN -0.101 nan 8.270 nan 0.000 0.440 246 R N 0.795 121.334 120.500 0.065 0.000 2.083 246 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 246 R C 2.057 178.477 176.300 0.201 0.000 1.137 246 R CA 1.639 57.790 56.100 0.085 0.000 0.951 246 R CB -0.721 29.593 30.300 0.023 0.000 0.851 246 R HN 0.296 nan 8.270 nan 0.000 0.434 247 L N 0.201 121.449 121.223 0.042 0.000 2.131 247 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 247 L C 2.307 179.299 176.870 0.203 0.000 1.092 247 L CA 1.675 56.471 54.840 -0.073 0.000 0.759 247 L CB -0.457 41.209 42.059 -0.656 0.000 0.903 247 L HN 0.366 nan 8.230 nan 0.000 0.435 248 E N -0.287 120.097 120.200 0.306 0.000 2.072 248 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 248 E C 2.094 178.917 176.600 0.370 0.000 0.985 248 E CA 1.257 57.887 56.400 0.384 0.000 0.801 248 E CB -0.117 29.767 29.700 0.306 0.000 0.750 248 E HN 0.434 nan 8.360 nan 0.000 0.452 249 F N -0.506 119.559 119.950 0.193 0.000 2.407 249 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 249 F C 1.911 177.937 175.800 0.377 0.000 1.097 249 F CA 0.591 58.679 58.000 0.147 0.000 1.422 249 F CB 0.046 39.049 39.000 0.004 0.000 1.067 249 F HN 0.004 nan 8.300 nan 0.000 0.539 250 F N -0.476 119.747 119.950 0.454 0.000 2.220 250 F HA -0.125 4.402 4.527 -0.000 0.000 0.290 250 F C 1.990 178.132 175.800 0.570 0.000 1.080 250 F CA 1.355 59.632 58.000 0.461 0.000 1.318 250 F CB 0.171 39.375 39.000 0.339 0.000 1.063 250 F HN -0.224 nan 8.300 nan 0.000 0.498 251 T N -1.279 113.761 114.554 0.810 0.000 3.115 251 T HA 0.248 4.598 4.350 -0.000 0.000 0.256 251 T C 1.717 176.876 174.700 0.766 0.000 0.970 251 T CA 0.424 62.991 62.100 0.777 0.000 1.010 251 T CB -0.169 69.157 68.868 0.764 0.000 1.151 251 T HN 0.133 nan 8.240 nan 0.000 0.479 252 A N 1.222 124.498 122.820 0.761 0.000 2.070 252 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 252 A C 1.916 179.815 177.584 0.524 0.000 1.159 252 A CA 1.277 53.731 52.037 0.694 0.000 0.656 252 A CB -1.021 18.372 19.000 0.655 0.000 0.800 252 A HN 0.620 nan 8.150 nan 0.000 0.453 253 W N 0.354 121.775 121.300 0.202 0.000 2.290 253 W HA -0.268 4.392 4.660 -0.000 0.000 0.318 253 W C 1.390 177.849 176.519 -0.099 0.000 1.248 253 W CA 2.165 59.487 57.345 -0.037 0.000 1.263 253 W CB -0.876 28.436 29.460 -0.247 0.000 1.147 253 W HN 0.359 nan 8.180 nan 0.000 0.494 254 F N -0.680 119.451 119.950 0.301 0.000 2.383 254 F HA 0.244 4.771 4.527 -0.000 0.000 0.287 254 F C 2.505 178.349 175.800 0.073 0.000 1.069 254 F CA 1.286 59.310 58.000 0.040 0.000 1.402 254 F CB -1.401 37.505 39.000 -0.158 0.000 1.116 254 F HN -0.116 nan 8.300 nan 0.000 0.549 255 A N -0.100 122.926 122.820 0.344 0.000 1.970 255 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 255 A C 1.727 179.399 177.584 0.147 0.000 1.170 255 A CA 1.645 53.780 52.037 0.164 0.000 0.645 255 A CB -0.670 18.360 19.000 0.050 0.000 0.816 255 A HN 0.208 nan 8.150 nan 0.000 0.447 256 D N 0.050 120.638 120.400 0.312 0.000 2.104 256 D HA -0.087 4.553 4.640 -0.000 0.000 0.194 256 D C -0.516 175.809 176.300 0.042 0.000 0.994 256 D CA 1.508 55.672 54.000 0.275 0.000 0.830 256 D CB -1.408 39.553 40.800 0.268 0.000 0.959 256 D HN 0.292 nan 8.370 nan 0.000 0.452 257 P HA -0.063 nan 4.420 nan 0.000 0.215 257 P C 1.625 178.780 177.300 -0.241 0.000 1.153 257 P CA 0.845 63.769 63.100 -0.294 0.000 0.853 257 P CB 0.071 31.610 31.700 -0.269 0.000 0.788 258 I N -2.898 117.595 120.570 -0.130 0.000 2.252 258 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 258 I C 1.964 177.929 176.117 -0.252 0.000 1.102 258 I CA 1.626 62.802 61.300 -0.205 0.000 1.385 258 I CB -0.377 37.441 38.000 -0.304 0.000 1.064 258 I HN -0.046 nan 8.210 nan 0.000 0.414 259 Y N -0.577 119.721 120.300 -0.003 0.000 2.441 259 Y HA 0.159 4.709 4.550 -0.000 0.000 0.288 259 Y C 1.984 177.988 175.900 0.173 0.000 1.118 259 Y CA 0.541 58.714 58.100 0.121 0.000 1.215 259 Y CB 0.162 38.688 38.460 0.111 0.000 1.118 259 Y HN -0.044 nan 8.280 nan 0.000 0.547 260 L N -2.360 118.915 121.223 0.086 0.000 2.575 260 L HA 0.415 4.755 4.340 -0.000 0.000 0.228 260 L C 1.605 178.090 176.870 -0.641 0.000 1.075 260 L CA 0.759 55.542 54.840 -0.095 0.000 0.867 260 L CB 0.417 42.512 42.059 0.060 0.000 1.097 260 L HN 0.325 nan 8.230 nan 0.000 0.485 261 G N -0.448 107.824 108.800 -0.880 0.000 2.231 261 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.206 261 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.206 261 G C -0.173 174.344 174.900 -0.638 0.000 0.996 261 G CA 0.029 44.560 45.100 -0.948 0.000 0.645 261 G HN 0.309 nan 8.290 nan 0.000 0.498 262 D N -1.713 118.415 120.400 -0.454 0.000 2.713 262 D HA 0.447 5.087 4.640 -0.000 0.000 0.306 262 D C -0.690 175.525 176.300 -0.141 0.000 1.299 262 D CA -0.571 53.201 54.000 -0.380 0.000 0.823 262 D CB 0.676 41.388 40.800 -0.147 0.000 1.353 262 D HN -0.092 nan 8.370 nan 0.000 0.447 263 Y N 0.322 120.723 120.300 0.168 0.000 2.426 263 Y HA 0.240 4.790 4.550 -0.000 0.000 0.344 263 Y C -1.405 174.521 175.900 0.043 0.000 1.256 263 Y CA -0.905 57.275 58.100 0.134 0.000 1.451 263 Y CB -0.470 38.060 38.460 0.117 0.000 1.342 263 Y HN 0.029 nan 8.280 nan 0.000 0.600 264 P HA 0.025 nan 4.420 nan 0.000 0.265 264 P C -0.085 177.227 177.300 0.019 0.000 1.193 264 P CA 0.435 63.590 63.100 0.091 0.000 0.765 264 P CB 0.819 32.559 31.700 0.066 0.000 0.823 265 A N 3.248 126.086 122.820 0.030 0.000 1.948 265 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 265 A C 2.184 179.756 177.584 -0.020 0.000 1.177 265 A CA 2.376 54.419 52.037 0.010 0.000 0.636 265 A CB -1.724 17.289 19.000 0.022 0.000 0.815 265 A HN 0.624 nan 8.150 nan 0.000 0.449 266 S N -0.340 115.361 115.700 0.001 0.000 2.400 266 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 266 S C 1.951 176.523 174.600 -0.046 0.000 1.025 266 S CA 1.815 60.047 58.200 0.053 0.000 0.993 266 S CB -0.614 62.701 63.200 0.192 0.000 0.808 266 S HN 0.553 nan 8.310 nan 0.000 0.478 267 M N 0.570 119.950 119.600 -0.367 0.000 2.200 267 M HA 0.099 4.579 4.480 -0.000 0.000 0.265 267 M C 2.592 178.629 176.300 -0.438 0.000 1.066 267 M CA 1.358 56.219 55.300 -0.731 0.000 1.127 267 M CB -0.269 31.700 32.600 -1.052 0.000 1.379 267 M HN 0.268 nan 8.290 nan 0.000 0.420 268 R N 1.221 121.567 120.500 -0.256 0.000 2.081 268 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 268 R C 2.024 178.238 176.300 -0.142 0.000 1.131 268 R CA 1.651 57.644 56.100 -0.178 0.000 0.960 268 R CB -0.324 29.935 30.300 -0.070 0.000 0.856 268 R HN 0.247 nan 8.270 nan 0.000 0.436 269 K N -0.091 120.253 120.400 -0.094 0.000 2.032 269 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 269 K C 2.120 178.676 176.600 -0.073 0.000 1.048 269 K CA 2.009 58.261 56.287 -0.059 0.000 0.927 269 K CB -0.134 32.355 32.500 -0.019 0.000 0.712 269 K HN 0.330 nan 8.250 nan 0.000 0.441 270 Q N 0.053 119.814 119.800 -0.066 0.000 2.096 270 Q HA -0.058 4.282 4.340 -0.000 0.000 0.197 270 Q C 2.000 177.899 176.000 -0.169 0.000 0.964 270 Q CA 1.117 56.877 55.803 -0.072 0.000 0.838 270 Q CB 0.183 28.944 28.738 0.039 0.000 0.906 270 Q HN 0.375 nan 8.270 nan 0.000 0.444 271 L N -0.888 120.161 121.223 -0.291 0.000 2.416 271 L HA 0.237 4.577 4.340 -0.000 0.000 0.216 271 L C 1.537 178.236 176.870 -0.285 0.000 1.098 271 L CA 0.265 54.859 54.840 -0.409 0.000 0.840 271 L CB -0.360 41.225 42.059 -0.790 0.000 0.981 271 L HN 0.442 nan 8.230 nan 0.000 0.462 272 G N 1.287 109.954 108.800 -0.222 0.000 2.651 272 G HA2 -0.405 3.554 3.960 -0.000 0.000 0.315 272 G HA3 -0.405 3.554 3.960 -0.000 0.000 0.315 272 G C 0.547 175.357 174.900 -0.150 0.000 1.258 272 G CA 0.682 45.691 45.100 -0.152 0.000 1.002 272 G HN 0.311 nan 8.290 nan 0.000 0.551 273 D N 0.965 121.299 120.400 -0.110 0.000 2.350 273 D HA -0.007 4.633 4.640 -0.000 0.000 0.216 273 D C 2.542 178.781 176.300 -0.103 0.000 0.968 273 D CA 0.719 54.662 54.000 -0.094 0.000 0.894 273 D CB -0.146 40.615 40.800 -0.065 0.000 0.909 273 D HN 0.501 nan 8.370 nan 0.000 0.520 274 R N -0.186 120.239 120.500 -0.125 0.000 2.189 274 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 274 R C 0.542 176.771 176.300 -0.119 0.000 1.092 274 R CA 0.085 56.132 56.100 -0.089 0.000 0.989 274 R CB 0.039 30.298 30.300 -0.068 0.000 0.876 274 R HN 0.041 nan 8.270 nan 0.000 0.457 275 L N 2.269 123.342 121.223 -0.249 0.000 2.260 275 L HA 0.319 4.659 4.340 -0.000 0.000 0.289 275 L C -2.394 174.349 176.870 -0.211 0.000 1.057 275 L CA -2.523 52.132 54.840 -0.308 0.000 0.811 275 L CB 0.990 42.746 42.059 -0.504 0.000 1.184 275 L HN -0.197 nan 8.230 nan 0.000 0.429 276 P HA 0.144 nan 4.420 nan 0.000 0.270 276 P C -0.942 176.217 177.300 -0.234 0.000 1.223 276 P CA -0.134 62.746 63.100 -0.366 0.000 0.785 276 P CB 0.399 31.549 31.700 -0.915 0.000 0.923 277 T N 2.536 116.969 114.554 -0.201 0.000 2.767 277 T HA 0.376 4.726 4.350 -0.000 0.000 0.288 277 T C -0.005 174.681 174.700 -0.023 0.000 0.963 277 T CA -0.129 61.958 62.100 -0.021 0.000 1.019 277 T CB -0.213 68.660 68.868 0.009 0.000 0.923 277 T HN 0.079 nan 8.240 nan 0.000 0.468 278 F N 3.048 123.081 119.950 0.139 0.000 2.529 278 F HA 0.233 4.760 4.527 -0.000 0.000 0.365 278 F C 1.849 177.703 175.800 0.090 0.000 1.102 278 F CA -0.424 57.677 58.000 0.168 0.000 1.271 278 F CB 0.469 39.517 39.000 0.080 0.000 1.120 278 F HN 0.502 nan 8.300 nan 0.000 0.579 279 T N 1.034 115.746 114.554 0.263 0.000 2.849 279 T HA 0.225 4.575 4.350 -0.000 0.000 0.284 279 T C -1.922 172.877 174.700 0.164 0.000 1.004 279 T CA -1.722 60.476 62.100 0.162 0.000 1.021 279 T CB 1.364 70.301 68.868 0.116 0.000 1.013 279 T HN 0.270 nan 8.240 nan 0.000 0.527 280 P HA -0.117 nan 4.420 nan 0.000 0.215 280 P C 1.543 178.887 177.300 0.074 0.000 1.153 280 P CA 0.995 64.141 63.100 0.077 0.000 0.853 280 P CB 0.057 31.788 31.700 0.053 0.000 0.788 281 E N 0.326 120.571 120.200 0.074 0.000 2.058 281 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 281 E C 1.758 178.411 176.600 0.088 0.000 0.997 281 E CA 1.391 57.831 56.400 0.066 0.000 0.801 281 E CB -0.233 29.503 29.700 0.059 0.000 0.746 281 E HN 0.299 nan 8.360 nan 0.000 0.450 282 E N 0.058 120.344 120.200 0.143 0.000 2.072 282 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 282 E C 2.297 179.014 176.600 0.196 0.000 0.985 282 E CA 0.870 57.392 56.400 0.203 0.000 0.801 282 E CB -0.126 29.758 29.700 0.307 0.000 0.750 282 E HN 0.145 nan 8.360 nan 0.000 0.452 283 R N 0.803 121.392 120.500 0.148 0.000 2.081 283 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 283 R C 2.218 178.510 176.300 -0.013 0.000 1.131 283 R CA 1.348 57.414 56.100 -0.057 0.000 0.960 283 R CB -0.206 30.045 30.300 -0.082 0.000 0.856 283 R HN 0.142 nan 8.270 nan 0.000 0.436 284 A N 0.692 123.525 122.820 0.023 0.000 1.972 284 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 284 A C 2.106 179.690 177.584 0.000 0.000 1.169 284 A CA 1.139 53.182 52.037 0.010 0.000 0.635 284 A CB -0.377 18.628 19.000 0.010 0.000 0.810 284 A HN 0.364 nan 8.150 nan 0.000 0.446 285 L N -1.122 120.111 121.223 0.017 0.000 2.095 285 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 285 L C 2.408 179.280 176.870 0.002 0.000 1.080 285 L CA 0.762 55.607 54.840 0.008 0.000 0.759 285 L CB -0.250 41.827 42.059 0.029 0.000 0.914 285 L HN 0.241 nan 8.230 nan 0.000 0.439 286 V N -1.858 118.065 119.914 0.016 0.000 2.446 286 V HA -0.164 3.956 4.120 -0.000 0.000 0.244 286 V C 1.238 177.325 176.094 -0.010 0.000 1.039 286 V CA 0.427 62.736 62.300 0.014 0.000 1.045 286 V CB -0.523 31.303 31.823 0.005 0.000 0.681 286 V HN 0.381 nan 8.190 nan 0.000 0.459 287 H N 0.413 119.381 119.070 -0.170 0.000 3.026 287 H HA 0.353 4.909 4.556 -0.000 0.000 0.289 287 H C 1.250 176.501 175.328 -0.129 0.000 1.022 287 H CA 0.488 56.434 56.048 -0.171 0.000 1.477 287 H CB 0.059 29.720 29.762 -0.168 0.000 1.510 287 H HN 0.454 nan 8.280 nan 0.000 0.535 288 G N 3.252 112.023 108.800 -0.048 0.000 2.141 288 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.231 288 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.231 288 G C 0.922 175.740 174.900 -0.136 0.000 0.984 288 G CA 0.474 45.478 45.100 -0.160 0.000 0.660 288 G HN 0.711 nan 8.290 nan 0.000 0.525 289 S N -0.765 114.864 115.700 -0.118 0.000 2.631 289 S HA 0.289 4.759 4.470 -0.000 0.000 0.217 289 S C 0.468 175.040 174.600 -0.046 0.000 0.958 289 S CA 0.158 58.315 58.200 -0.071 0.000 0.920 289 S CB 0.257 63.441 63.200 -0.027 0.000 0.776 289 S HN 0.308 nan 8.310 nan 0.000 0.517 290 N N 2.163 120.758 118.700 -0.175 0.000 2.444 290 N HA 0.343 5.083 4.740 -0.000 0.000 0.262 290 N C -0.319 175.145 175.510 -0.076 0.000 0.974 290 N CA -0.465 52.475 53.050 -0.184 0.000 0.933 290 N CB 1.658 39.984 38.487 -0.268 0.000 1.137 290 N HN 0.059 nan 8.380 nan 0.000 0.498 291 D N 0.903 121.269 120.400 -0.058 0.000 2.234 291 D HA 0.004 4.644 4.640 -0.000 0.000 0.205 291 D C 0.257 176.741 176.300 0.306 0.000 0.962 291 D CA 1.167 55.246 54.000 0.132 0.000 0.855 291 D CB 0.216 41.147 40.800 0.219 0.000 0.951 291 D HN 0.562 nan 8.370 nan 0.000 0.500 292 F N -2.176 117.933 119.950 0.265 0.000 2.664 292 F HA 0.474 5.001 4.527 -0.000 0.000 0.317 292 F C -1.251 174.799 175.800 0.416 0.000 1.108 292 F CA -1.845 56.386 58.000 0.384 0.000 0.957 292 F CB 0.975 40.271 39.000 0.493 0.000 1.365 292 F HN -0.279 nan 8.300 nan 0.000 0.475 293 Y N 1.387 122.028 120.300 0.568 0.000 2.353 293 Y HA 0.647 5.197 4.550 -0.000 0.000 0.340 293 Y C 0.192 176.455 175.900 0.605 0.000 0.972 293 Y CA -0.822 57.544 58.100 0.443 0.000 1.157 293 Y CB 1.196 39.875 38.460 0.365 0.000 1.157 293 Y HN 0.978 nan 8.280 nan 0.000 0.495 294 G N 7.454 116.444 108.800 0.317 0.000 2.320 294 G HA2 0.396 4.356 3.960 -0.000 0.000 0.300 294 G HA3 0.396 4.356 3.960 -0.000 0.000 0.300 294 G C -1.099 173.982 174.900 0.302 0.000 1.126 294 G CA -0.811 44.569 45.100 0.467 0.000 0.896 294 G HN 0.703 nan 8.290 nan 0.000 0.436 295 M N 3.324 123.206 119.600 0.470 0.000 2.190 295 M HA 0.377 4.857 4.480 -0.000 0.000 0.312 295 M C -1.353 175.115 176.300 0.279 0.000 0.990 295 M CA -0.899 54.673 55.300 0.453 0.000 0.927 295 M CB 1.450 34.402 32.600 0.586 0.000 1.571 295 M HN 0.329 nan 8.290 nan 0.000 0.427 296 N N 3.149 121.955 118.700 0.176 0.000 2.421 296 N HA 0.464 5.204 4.740 -0.000 0.000 0.285 296 N C -1.621 173.921 175.510 0.053 0.000 1.027 296 N CA -0.230 52.870 53.050 0.084 0.000 0.918 296 N CB 1.210 39.757 38.487 0.100 0.000 1.152 296 N HN 0.694 nan 8.380 nan 0.000 0.485 297 H N 0.507 119.444 119.070 -0.221 0.000 2.954 297 H HA 0.360 4.916 4.556 -0.000 0.000 0.361 297 H C -0.953 174.201 175.328 -0.290 0.000 1.122 297 H CA -0.392 55.556 56.048 -0.166 0.000 1.217 297 H CB 0.768 30.487 29.762 -0.072 0.000 1.776 297 H HN 0.567 nan 8.280 nan 0.000 0.533 298 Y N 1.478 121.511 120.300 -0.444 0.000 2.640 298 Y HA 0.277 4.827 4.550 -0.000 0.000 0.274 298 Y C 0.877 176.830 175.900 0.088 0.000 1.164 298 Y CA 0.594 58.690 58.100 -0.007 0.000 1.189 298 Y CB 1.329 39.998 38.460 0.348 0.000 1.333 298 Y HN 0.636 nan 8.280 nan 0.000 0.494 299 T N -1.369 113.261 114.554 0.126 0.000 2.645 299 T HA 0.703 5.053 4.350 -0.000 0.000 0.300 299 T C -1.325 173.601 174.700 0.376 0.000 1.210 299 T CA -0.416 61.902 62.100 0.363 0.000 1.034 299 T CB 1.355 70.493 68.868 0.449 0.000 1.537 299 T HN -0.072 nan 8.240 nan 0.000 0.492 300 S N 0.357 116.308 115.700 0.418 0.000 2.618 300 S HA 0.776 5.246 4.470 -0.000 0.000 0.277 300 S C -1.492 173.279 174.600 0.285 0.000 1.138 300 S CA -0.809 57.638 58.200 0.411 0.000 0.844 300 S CB 1.622 65.154 63.200 0.553 0.000 1.127 300 S HN 0.762 nan 8.310 nan 0.000 0.474 301 N N -0.533 118.280 118.700 0.187 0.000 2.329 301 N HA 0.501 5.241 4.740 -0.000 0.000 0.282 301 N C -1.984 173.546 175.510 0.035 0.000 1.198 301 N CA -0.653 52.438 53.050 0.070 0.000 0.790 301 N CB 0.898 39.424 38.487 0.065 0.000 1.579 301 N HN 0.453 nan 8.380 nan 0.000 0.475 302 Y N 0.800 121.232 120.300 0.220 0.000 2.309 302 Y HA 0.398 4.948 4.550 -0.000 0.000 0.327 302 Y C 0.097 176.099 175.900 0.169 0.000 1.172 302 Y CA -0.289 57.960 58.100 0.249 0.000 1.280 302 Y CB 0.609 39.259 38.460 0.317 0.000 1.234 302 Y HN 0.202 nan 8.280 nan 0.000 0.512 303 I N 3.760 124.524 120.570 0.324 0.000 2.436 303 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 303 I C -0.308 175.934 176.117 0.208 0.000 1.010 303 I CA -0.971 60.432 61.300 0.171 0.000 1.098 303 I CB 1.690 39.736 38.000 0.077 0.000 1.266 303 I HN 0.591 nan 8.210 nan 0.000 0.434 304 R N 5.796 126.343 120.500 0.078 0.000 2.445 304 R HA 0.370 4.710 4.340 -0.000 0.000 0.308 304 R C 0.063 176.342 176.300 -0.036 0.000 0.961 304 R CA -0.544 55.561 56.100 0.008 0.000 0.862 304 R CB 1.194 31.267 30.300 -0.378 0.000 1.144 304 R HN 0.720 nan 8.270 nan 0.000 0.447 305 H N 2.875 121.922 119.070 -0.038 0.000 2.745 305 H HA 0.258 4.814 4.556 -0.000 0.000 0.373 305 H C -0.873 174.398 175.328 -0.094 0.000 1.226 305 H CA -0.071 55.944 56.048 -0.056 0.000 1.435 305 H CB 0.782 30.531 29.762 -0.022 0.000 1.461 305 H HN 0.504 nan 8.280 nan 0.000 0.616 306 R N 0.704 121.129 120.500 -0.124 0.000 2.670 306 R HA 0.272 4.612 4.340 -0.000 0.000 0.289 306 R C 0.443 176.708 176.300 -0.057 0.000 0.965 306 R CA -0.797 55.190 56.100 -0.189 0.000 0.899 306 R CB 1.792 32.008 30.300 -0.140 0.000 1.173 306 R HN 0.651 nan 8.270 nan 0.000 0.456 307 S N 0.219 115.869 115.700 -0.082 0.000 2.501 307 S HA -0.037 4.433 4.470 -0.000 0.000 0.220 307 S C 0.733 175.321 174.600 -0.020 0.000 0.997 307 S CA 0.088 58.284 58.200 -0.006 0.000 0.919 307 S CB 0.198 63.385 63.200 -0.021 0.000 0.778 307 S HN 0.711 nan 8.310 nan 0.000 0.523 308 S N 2.563 118.235 115.700 -0.047 0.000 2.632 308 S HA 0.482 4.952 4.470 -0.000 0.000 0.271 308 S C -2.751 171.822 174.600 -0.044 0.000 1.260 308 S CA -1.476 56.697 58.200 -0.045 0.000 1.010 308 S CB -0.017 63.150 63.200 -0.056 0.000 0.965 308 S HN 0.049 nan 8.310 nan 0.000 0.534 309 P HA 0.251 nan 4.420 nan 0.000 0.269 309 P C -0.501 176.764 177.300 -0.057 0.000 1.215 309 P CA -0.269 62.804 63.100 -0.044 0.000 0.780 309 P CB 0.149 31.826 31.700 -0.037 0.000 0.898 310 A N 2.639 125.419 122.820 -0.067 0.000 2.477 310 A HA 0.349 4.668 4.320 -0.000 0.000 0.246 310 A C 0.887 178.431 177.584 -0.066 0.000 1.078 310 A CA -0.106 51.881 52.037 -0.083 0.000 0.770 310 A CB -0.561 18.376 19.000 -0.105 0.000 1.011 310 A HN 0.616 nan 8.150 nan 0.000 0.494 311 S N 1.906 117.568 115.700 -0.063 0.000 2.603 311 S HA 0.459 4.929 4.470 -0.000 0.000 0.268 311 S C 1.318 175.897 174.600 -0.034 0.000 1.317 311 S CA -0.187 57.986 58.200 -0.045 0.000 1.012 311 S CB 1.210 64.384 63.200 -0.043 0.000 0.926 311 S HN 1.569 nan 8.310 nan 0.000 0.539 312 A N 1.405 124.212 122.820 -0.021 0.000 1.940 312 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 312 A C 1.675 179.275 177.584 0.027 0.000 1.176 312 A CA 1.802 53.837 52.037 -0.002 0.000 0.631 312 A CB -1.166 17.833 19.000 -0.001 0.000 0.814 312 A HN 0.993 nan 8.150 nan 0.000 0.446 313 D N -0.301 120.106 120.400 0.012 0.000 2.349 313 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 313 D C 0.298 176.611 176.300 0.021 0.000 1.029 313 D CA 0.008 54.019 54.000 0.018 0.000 0.879 313 D CB -0.531 40.264 40.800 -0.008 0.000 0.906 313 D HN 0.402 nan 8.370 nan 0.000 0.528 314 D N 0.396 120.802 120.400 0.010 0.000 2.424 314 D HA -0.006 4.634 4.640 -0.000 0.000 0.244 314 D C 0.622 176.969 176.300 0.080 0.000 1.134 314 D CA 0.652 54.644 54.000 -0.014 0.000 0.881 314 D CB 1.089 41.841 40.800 -0.080 0.000 1.191 314 D HN 0.214 nan 8.370 nan 0.000 0.445 315 T N -0.250 114.342 114.554 0.063 0.000 3.058 315 T HA 0.075 4.425 4.350 -0.000 0.000 0.278 315 T C 1.321 176.089 174.700 0.113 0.000 0.974 315 T CA 0.210 62.446 62.100 0.226 0.000 0.893 315 T CB -0.122 68.806 68.868 0.100 0.000 1.138 315 T HN 0.247 nan 8.240 nan 0.000 0.529 316 V N -2.225 117.615 119.914 -0.122 0.000 3.644 316 V HA 0.708 4.828 4.120 -0.000 0.000 0.267 316 V C 1.568 177.320 176.094 -0.570 0.000 1.277 316 V CA 0.339 62.514 62.300 -0.208 0.000 1.096 316 V CB -0.473 31.249 31.823 -0.168 0.000 0.828 316 V HN 0.755 nan 8.190 nan 0.000 0.446 317 G N 1.213 109.389 108.800 -1.040 0.000 2.145 317 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.176 317 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.176 317 G C 0.168 174.682 174.900 -0.643 0.000 1.013 317 G CA 0.234 44.414 45.100 -1.533 0.000 0.689 317 G HN 1.207 nan 8.290 nan 0.000 0.506 318 N N -2.237 116.212 118.700 -0.418 0.000 2.756 318 N HA -0.115 4.625 4.740 -0.000 0.000 0.248 318 N C 0.109 175.509 175.510 -0.184 0.000 1.062 318 N CA 2.101 55.005 53.050 -0.242 0.000 0.696 318 N CB -1.251 37.118 38.487 -0.197 0.000 0.946 318 N HN 2.052 nan 8.380 nan 0.000 0.548 319 V N -3.081 116.724 119.914 -0.182 0.000 3.102 319 V HA 0.740 4.860 4.120 -0.000 0.000 0.312 319 V C -0.252 175.764 176.094 -0.129 0.000 1.135 319 V CA -1.111 61.111 62.300 -0.131 0.000 1.022 319 V CB 2.277 34.038 31.823 -0.103 0.000 1.056 319 V HN 0.070 nan 8.190 nan 0.000 0.436 320 D N 1.730 122.052 120.400 -0.130 0.000 2.225 320 D HA 0.499 5.139 4.640 -0.000 0.000 0.248 320 D C -0.508 175.733 176.300 -0.098 0.000 1.096 320 D CA -0.023 53.895 54.000 -0.138 0.000 0.863 320 D CB 2.086 42.764 40.800 -0.203 0.000 1.156 320 D HN 0.491 nan 8.370 nan 0.000 0.450 321 V N 3.992 123.847 119.914 -0.099 0.000 2.350 321 V HA 0.375 4.495 4.120 -0.000 0.000 0.276 321 V C 0.331 176.311 176.094 -0.190 0.000 1.028 321 V CA -0.477 61.763 62.300 -0.100 0.000 0.860 321 V CB 0.755 32.522 31.823 -0.094 0.000 0.990 321 V HN 0.324 nan 8.190 nan 0.000 0.453 322 L N 3.568 124.708 121.223 -0.139 0.000 2.327 322 L HA 0.594 4.934 4.340 -0.000 0.000 0.258 322 L C -0.080 176.730 176.870 -0.101 0.000 1.024 322 L CA -0.478 54.292 54.840 -0.116 0.000 0.825 322 L CB 2.232 44.379 42.059 0.147 0.000 1.386 322 L HN 0.434 nan 8.230 nan 0.000 0.417 323 F N -1.149 119.004 119.950 0.337 0.000 2.720 323 F HA 0.139 4.666 4.527 0.000 0.000 0.301 323 F C 1.056 177.149 175.800 0.489 0.000 1.103 323 F CA -0.248 57.959 58.000 0.346 0.000 1.291 323 F CB 0.607 39.746 39.000 0.231 0.000 1.086 323 F HN 0.457 nan 8.300 nan 0.000 0.592 324 T N -1.398 113.520 114.554 0.608 0.000 2.907 324 T HA 0.566 4.916 4.350 -0.000 0.000 0.292 324 T C -0.471 174.273 174.700 0.073 0.000 1.043 324 T CA -0.918 61.403 62.100 0.368 0.000 1.003 324 T CB 2.540 71.560 68.868 0.252 0.000 1.084 324 T HN 0.051 nan 8.240 nan 0.000 0.483 325 N N 0.551 118.910 118.700 -0.567 0.000 2.671 325 N HA 0.322 5.062 4.740 -0.000 0.000 0.303 325 N C 0.949 175.881 175.510 -0.965 0.000 1.277 325 N CA -1.215 51.214 53.050 -1.035 0.000 0.933 325 N CB 1.002 38.542 38.487 -1.578 0.000 1.190 325 N HN 0.786 nan 8.380 nan 0.000 0.600 326 K N -0.971 118.449 120.400 -1.634 0.000 2.152 326 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 326 K C 0.813 177.084 176.600 -0.548 0.000 1.048 326 K CA 1.552 57.032 56.287 -1.345 0.000 0.933 326 K CB 0.010 31.638 32.500 -1.454 0.000 0.721 326 K HN 0.497 nan 8.250 nan 0.000 0.447 327 Q N -1.026 118.505 119.800 -0.448 0.000 2.403 327 Q HA 0.164 4.504 4.340 -0.000 0.000 0.203 327 Q C 0.764 176.666 176.000 -0.163 0.000 0.932 327 Q CA 0.731 56.388 55.803 -0.243 0.000 0.945 327 Q CB 0.924 29.542 28.738 -0.200 0.000 1.045 327 Q HN 0.560 nan 8.270 nan 0.000 0.511 328 G N 0.098 108.795 108.800 -0.173 0.000 2.159 328 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.256 328 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.256 328 G C -0.039 174.840 174.900 -0.034 0.000 0.977 328 G CA -0.089 44.972 45.100 -0.064 0.000 0.652 328 G HN 0.293 nan 8.290 nan 0.000 0.531 329 N N -0.347 118.303 118.700 -0.084 0.000 2.482 329 N HA 0.390 5.130 4.740 -0.000 0.000 0.260 329 N C 0.010 175.605 175.510 0.141 0.000 1.236 329 N CA 0.565 53.622 53.050 0.013 0.000 0.938 329 N CB 1.576 40.067 38.487 0.007 0.000 1.128 329 N HN 0.368 nan 8.380 nan 0.000 0.448 330 C N 2.782 122.221 119.300 0.231 0.000 2.456 330 C HA 0.375 4.835 4.460 -0.000 0.000 0.325 330 C C 2.119 177.305 174.990 0.327 0.000 1.217 330 C CA -0.763 58.454 59.018 0.332 0.000 1.687 330 C CB -0.357 27.511 27.740 0.213 0.000 2.270 330 C HN 0.647 nan 8.230 nan 0.000 0.499 331 I N 3.389 124.159 120.570 0.334 0.000 2.208 331 I HA 0.117 4.287 4.170 -0.000 0.000 0.245 331 I C 1.421 177.634 176.117 0.161 0.000 1.097 331 I CA 2.247 63.628 61.300 0.136 0.000 1.363 331 I CB -1.436 36.647 38.000 0.138 0.000 1.051 331 I HN 0.969 nan 8.210 nan 0.000 0.413 332 G N -0.037 108.879 108.800 0.192 0.000 2.315 332 G HA2 0.302 4.262 3.960 -0.000 0.000 0.294 332 G HA3 0.302 4.262 3.960 -0.000 0.000 0.294 332 G C -3.005 171.994 174.900 0.164 0.000 1.300 332 G CA -0.668 44.533 45.100 0.168 0.000 0.843 332 G HN -0.165 nan 8.290 nan 0.000 0.527 333 P HA 0.262 nan 4.420 nan 0.000 0.272 333 P C -0.225 177.167 177.300 0.154 0.000 1.223 333 P CA 0.019 63.234 63.100 0.192 0.000 0.784 333 P CB 0.940 32.830 31.700 0.317 0.000 0.923 334 E N 0.258 120.479 120.200 0.035 0.000 2.398 334 E HA 0.179 4.529 4.350 -0.000 0.000 0.263 334 E C 0.737 177.250 176.600 -0.144 0.000 1.046 334 E CA 0.246 56.600 56.400 -0.078 0.000 0.908 334 E CB 0.438 30.067 29.700 -0.119 0.000 0.963 334 E HN 0.557 nan 8.360 nan 0.000 0.431 335 T N -0.783 113.650 114.554 -0.202 0.000 2.678 335 T HA 0.110 4.460 4.350 -0.000 0.000 0.260 335 T C 0.803 175.327 174.700 -0.293 0.000 0.932 335 T CA -0.708 61.197 62.100 -0.325 0.000 1.043 335 T CB 0.941 69.627 68.868 -0.303 0.000 1.413 335 T HN 0.321 nan 8.240 nan 0.000 0.568 336 Q N 0.269 119.882 119.800 -0.311 0.000 2.378 336 Q HA 0.252 4.592 4.340 -0.000 0.000 0.205 336 Q C 0.157 176.049 176.000 -0.179 0.000 0.954 336 Q CA 0.529 56.202 55.803 -0.217 0.000 0.901 336 Q CB -0.242 28.377 28.738 -0.199 0.000 0.981 336 Q HN 0.625 nan 8.270 nan 0.000 0.483 337 S N 1.883 117.409 115.700 -0.290 0.000 2.422 337 S HA 0.265 4.735 4.470 -0.000 0.000 0.308 337 S C -2.100 172.298 174.600 -0.336 0.000 1.097 337 S CA -1.253 56.744 58.200 -0.338 0.000 1.099 337 S CB 1.470 64.209 63.200 -0.769 0.000 0.976 337 S HN 0.178 nan 8.310 nan 0.000 0.471 338 P HA -0.113 nan 4.420 nan 0.000 0.217 338 P C 1.509 178.902 177.300 0.155 0.000 1.148 338 P CA 0.916 64.024 63.100 0.013 0.000 0.828 338 P CB -0.022 31.771 31.700 0.155 0.000 0.783 339 W N -1.082 120.360 121.300 0.237 0.000 2.678 339 W HA 0.144 4.805 4.660 0.000 0.000 0.256 339 W C -0.018 176.710 176.519 0.348 0.000 1.280 339 W CA 0.016 57.563 57.345 0.336 0.000 1.345 339 W CB -0.985 28.618 29.460 0.239 0.000 1.118 339 W HN -0.065 nan 8.180 nan 0.000 0.629 340 L N 3.356 124.378 121.223 -0.336 0.000 2.294 340 L HA 0.475 4.815 4.340 -0.000 0.000 0.283 340 L C -0.562 176.291 176.870 -0.029 0.000 1.015 340 L CA -0.452 54.200 54.840 -0.313 0.000 0.831 340 L CB 0.707 42.205 42.059 -0.935 0.000 1.217 340 L HN -0.283 nan 8.230 nan 0.000 0.420 341 R N 5.023 125.641 120.500 0.197 0.000 2.439 341 R HA 0.473 4.813 4.340 -0.000 0.000 0.310 341 R C -2.669 173.830 176.300 0.331 0.000 0.955 341 R CA -2.496 53.745 56.100 0.236 0.000 0.853 341 R CB 1.486 31.945 30.300 0.267 0.000 1.171 341 R HN 0.350 nan 8.270 nan 0.000 0.449 342 P HA 0.027 nan 4.420 nan 0.000 0.265 342 P C -0.343 177.158 177.300 0.335 0.000 1.193 342 P CA -0.068 63.307 63.100 0.458 0.000 0.765 342 P CB 0.541 32.465 31.700 0.374 0.000 0.823 343 C N 3.991 123.507 119.300 0.360 0.000 3.280 343 C HA 0.532 4.992 4.460 -0.000 0.000 0.334 343 C C 1.521 176.430 174.990 -0.135 0.000 0.977 343 C CA 0.090 59.197 59.018 0.148 0.000 1.264 343 C CB -1.052 26.835 27.740 0.244 0.000 1.688 343 C HN 0.694 nan 8.230 nan 0.000 0.592 344 A N 2.761 125.330 122.820 -0.418 0.000 1.972 344 A HA 0.115 4.435 4.320 -0.000 0.000 0.219 344 A C 2.337 179.715 177.584 -0.344 0.000 1.169 344 A CA 2.207 53.748 52.037 -0.827 0.000 0.635 344 A CB -0.429 18.250 19.000 -0.535 0.000 0.810 344 A HN 1.600 nan 8.150 nan 0.000 0.446 345 A N -0.462 122.273 122.820 -0.141 0.000 1.978 345 A HA 0.091 4.411 4.320 -0.000 0.000 0.220 345 A C 2.339 179.944 177.584 0.035 0.000 1.170 345 A CA 1.845 53.855 52.037 -0.044 0.000 0.636 345 A CB -1.259 17.739 19.000 -0.003 0.000 0.810 345 A HN 0.752 nan 8.150 nan 0.000 0.448 346 G N -1.609 107.300 108.800 0.181 0.000 2.443 346 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 346 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 346 G C 1.338 176.306 174.900 0.114 0.000 1.131 346 G CA 1.042 46.319 45.100 0.294 0.000 0.775 346 G HN 0.455 nan 8.290 nan 0.000 0.547 347 F N 1.539 121.409 119.950 -0.135 0.000 2.128 347 F HA 0.114 4.641 4.527 -0.000 0.000 0.295 347 F C 2.548 178.190 175.800 -0.263 0.000 1.100 347 F CA 1.139 58.922 58.000 -0.361 0.000 1.260 347 F CB -0.490 38.398 39.000 -0.187 0.000 1.009 347 F HN 0.098 nan 8.300 nan 0.000 0.476 348 R N 0.316 120.656 120.500 -0.266 0.000 2.096 348 R HA -0.195 4.145 4.340 -0.000 0.000 0.240 348 R C 1.819 177.935 176.300 -0.307 0.000 1.139 348 R CA 2.262 58.170 56.100 -0.321 0.000 0.952 348 R CB -0.615 29.554 30.300 -0.218 0.000 0.854 348 R HN 0.239 nan 8.270 nan 0.000 0.436 349 D N -0.396 119.764 120.400 -0.401 0.000 2.144 349 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 349 D C 1.597 177.445 176.300 -0.753 0.000 0.978 349 D CA 0.958 54.540 54.000 -0.697 0.000 0.833 349 D CB -0.344 39.726 40.800 -1.217 0.000 0.961 349 D HN 0.216 nan 8.370 nan 0.000 0.470 350 F N 0.891 120.413 119.950 -0.714 0.000 2.102 350 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 350 F C 2.185 177.953 175.800 -0.054 0.000 1.105 350 F CA 0.852 58.733 58.000 -0.199 0.000 1.239 350 F CB -0.018 38.940 39.000 -0.071 0.000 0.991 350 F HN -0.109 nan 8.300 nan 0.000 0.474 351 L N -0.742 120.516 121.223 0.057 0.000 2.013 351 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 351 L C 2.271 179.097 176.870 -0.074 0.000 1.073 351 L CA 1.128 55.954 54.840 -0.023 0.000 0.753 351 L CB -0.873 41.069 42.059 -0.194 0.000 0.890 351 L HN -0.001 nan 8.230 nan 0.000 0.432 352 V N -1.503 118.344 119.914 -0.112 0.000 2.358 352 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 352 V C 2.044 178.057 176.094 -0.134 0.000 1.047 352 V CA 1.855 64.079 62.300 -0.126 0.000 1.035 352 V CB -0.623 31.140 31.823 -0.100 0.000 0.658 352 V HN 0.622 nan 8.190 nan 0.000 0.452 353 W N 0.722 121.872 121.300 -0.249 0.000 2.335 353 W HA -0.198 4.462 4.660 -0.000 0.000 0.311 353 W C 2.209 178.547 176.519 -0.303 0.000 1.213 353 W CA 1.935 59.131 57.345 -0.249 0.000 1.274 353 W CB -0.281 29.025 29.460 -0.258 0.000 1.148 353 W HN 0.181 nan 8.180 nan 0.000 0.498 354 I N 0.138 120.663 120.570 -0.075 0.000 2.163 354 I HA -0.393 3.777 4.170 -0.000 0.000 0.243 354 I C 2.499 178.323 176.117 -0.490 0.000 1.085 354 I CA 1.860 63.007 61.300 -0.256 0.000 1.347 354 I CB -0.862 37.027 38.000 -0.184 0.000 1.044 354 I HN -0.109 nan 8.210 nan 0.000 0.408 355 S N 0.342 115.748 115.700 -0.491 0.000 2.368 355 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 355 S C 1.936 175.946 174.600 -0.984 0.000 1.029 355 S CA 1.134 58.869 58.200 -0.774 0.000 0.988 355 S CB -0.139 62.536 63.200 -0.875 0.000 0.838 355 S HN 0.378 nan 8.310 nan 0.000 0.462 356 K N 0.862 120.821 120.400 -0.735 0.000 2.062 356 K HA 0.025 4.345 4.320 -0.000 0.000 0.205 356 K C 2.415 178.688 176.600 -0.545 0.000 1.051 356 K CA 0.788 56.761 56.287 -0.524 0.000 0.941 356 K CB -0.105 32.192 32.500 -0.338 0.000 0.719 356 K HN 0.145 nan 8.250 nan 0.000 0.440 357 R N -0.069 119.923 120.500 -0.846 0.000 2.115 357 R HA -0.086 4.254 4.340 -0.000 0.000 0.226 357 R C 0.742 176.480 176.300 -0.937 0.000 1.100 357 R CA 1.252 56.716 56.100 -1.060 0.000 0.980 357 R CB 0.206 29.435 30.300 -1.786 0.000 0.875 357 R HN 0.189 nan 8.270 nan 0.000 0.445 358 Y N -1.020 119.002 120.300 -0.463 0.000 2.636 358 Y HA 0.369 4.919 4.550 -0.000 0.000 0.260 358 Y C 0.789 176.518 175.900 -0.286 0.000 1.177 358 Y CA -0.237 57.589 58.100 -0.457 0.000 1.209 358 Y CB 0.970 38.888 38.460 -0.904 0.000 1.166 358 Y HN 0.224 nan 8.280 nan 0.000 0.531 359 G N -0.075 108.661 108.800 -0.106 0.000 2.225 359 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.264 359 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.264 359 G C -0.285 174.731 174.900 0.193 0.000 1.060 359 G CA -0.009 45.141 45.100 0.082 0.000 0.833 359 G HN 0.449 nan 8.290 nan 0.000 0.498 360 Y N -2.904 117.378 120.300 -0.030 0.000 3.057 360 Y HA -0.189 4.361 4.550 -0.000 0.000 0.192 360 Y C -0.797 175.135 175.900 0.053 0.000 1.448 360 Y CA 0.429 58.528 58.100 -0.002 0.000 1.065 360 Y CB -1.926 36.536 38.460 0.003 0.000 1.369 360 Y HN 0.545 nan 8.280 nan 0.000 0.460 361 P HA 0.179 nan 4.420 nan 0.000 0.274 361 P C -2.492 174.945 177.300 0.229 0.000 1.237 361 P CA -1.448 61.780 63.100 0.213 0.000 0.793 361 P CB 0.803 32.646 31.700 0.239 0.000 0.977 362 P HA 0.239 nan 4.420 nan 0.000 0.271 362 P C -0.334 177.162 177.300 0.327 0.000 1.226 362 P CA 0.535 63.782 63.100 0.245 0.000 0.765 362 P CB 0.292 32.165 31.700 0.289 0.000 0.835 363 I N 4.184 124.861 120.570 0.178 0.000 2.404 363 I HA 0.300 4.470 4.170 -0.000 0.000 0.293 363 I C -0.295 175.877 176.117 0.090 0.000 0.992 363 I CA -0.921 60.554 61.300 0.292 0.000 1.149 363 I CB 1.230 39.363 38.000 0.221 0.000 1.315 363 I HN 0.263 nan 8.210 nan 0.000 0.446 364 Y N 5.003 125.528 120.300 0.375 0.000 2.334 364 Y HA 0.345 4.895 4.550 -0.000 0.000 0.336 364 Y C 0.036 176.146 175.900 0.351 0.000 0.960 364 Y CA -0.834 57.425 58.100 0.265 0.000 1.164 364 Y CB 1.721 40.258 38.460 0.129 0.000 1.155 364 Y HN 0.172 nan 8.280 nan 0.000 0.478 365 V N 3.910 124.101 119.914 0.462 0.000 2.370 365 V HA -0.007 4.113 4.120 -0.000 0.000 0.257 365 V C 0.908 177.223 176.094 0.368 0.000 1.064 365 V CA 0.404 62.969 62.300 0.442 0.000 0.975 365 V CB -0.011 32.163 31.823 0.584 0.000 1.067 365 V HN 1.024 nan 8.190 nan 0.000 0.485 366 T N 1.005 115.739 114.554 0.299 0.000 3.081 366 T HA 0.212 4.562 4.350 -0.000 0.000 0.255 366 T C 0.410 175.202 174.700 0.154 0.000 1.113 366 T CA 0.190 62.395 62.100 0.174 0.000 1.082 366 T CB 0.194 69.116 68.868 0.091 0.000 0.939 366 T HN 0.660 nan 8.240 nan 0.000 0.506 367 E N 0.558 120.825 120.200 0.112 0.000 2.321 367 E HA 0.550 4.900 4.350 -0.000 0.000 0.281 367 E C -1.682 174.812 176.600 -0.176 0.000 0.910 367 E CA -0.793 55.659 56.400 0.087 0.000 0.770 367 E CB 1.742 31.473 29.700 0.051 0.000 1.225 367 E HN 0.185 nan 8.360 nan 0.000 0.417 368 N N 1.220 119.862 118.700 -0.097 0.000 2.452 368 N HA 0.669 5.409 4.740 -0.000 0.000 0.277 368 N C -1.283 174.364 175.510 0.228 0.000 1.078 368 N CA -0.072 52.854 53.050 -0.207 0.000 0.947 368 N CB 2.126 40.562 38.487 -0.086 0.000 1.655 368 N HN 0.661 nan 8.380 nan 0.000 0.490 369 G N 0.009 108.897 108.800 0.146 0.000 2.320 369 G HA2 0.461 4.421 3.960 -0.000 0.000 0.296 369 G HA3 0.461 4.421 3.960 -0.000 0.000 0.296 369 G C -1.798 172.978 174.900 -0.206 0.000 1.306 369 G CA -0.288 44.847 45.100 0.058 0.000 0.836 369 G HN 0.593 nan 8.290 nan 0.000 0.517 370 T N -1.084 113.275 114.554 -0.324 0.000 2.868 370 T HA 0.729 5.079 4.350 -0.000 0.000 0.306 370 T C 0.269 174.597 174.700 -0.619 0.000 1.224 370 T CA 0.546 62.347 62.100 -0.499 0.000 1.012 370 T CB 1.331 69.680 68.868 -0.864 0.000 1.221 370 T HN 1.679 nan 8.240 nan 0.000 0.499 371 S N 2.020 117.163 115.700 -0.928 0.000 2.730 371 S HA 0.828 5.298 4.470 -0.000 0.000 0.284 371 S C -0.449 173.888 174.600 -0.439 0.000 1.153 371 S CA -0.778 56.967 58.200 -0.758 0.000 0.995 371 S CB 0.678 63.362 63.200 -0.860 0.000 1.058 371 S HN 0.667 nan 8.310 nan 0.000 0.552 372 I N 0.570 120.912 120.570 -0.381 0.000 2.499 372 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 372 I C -0.161 175.729 176.117 -0.379 0.000 1.048 372 I CA -0.720 60.300 61.300 -0.465 0.000 1.062 372 I CB 2.123 39.941 38.000 -0.304 0.000 1.238 372 I HN 0.714 nan 8.210 nan 0.000 0.426 373 K N 4.465 124.606 120.400 -0.432 0.000 2.447 373 K HA 0.192 4.512 4.320 -0.000 0.000 0.281 373 K C 1.064 177.544 176.600 -0.199 0.000 1.031 373 K CA 1.236 57.357 56.287 -0.276 0.000 1.019 373 K CB 0.350 32.697 32.500 -0.256 0.000 0.918 373 K HN 0.930 nan 8.250 nan 0.000 0.476 374 G N 3.070 111.789 108.800 -0.135 0.000 2.162 374 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.260 374 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.260 374 G C 0.697 175.549 174.900 -0.080 0.000 0.976 374 G CA 0.657 45.702 45.100 -0.091 0.000 0.655 374 G HN 0.870 nan 8.290 nan 0.000 0.533 375 E N 0.330 120.472 120.200 -0.097 0.000 2.097 375 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 375 E C 2.381 178.965 176.600 -0.027 0.000 1.000 375 E CA 1.548 57.906 56.400 -0.072 0.000 0.804 375 E CB -0.253 29.400 29.700 -0.078 0.000 0.740 375 E HN 0.491 nan 8.360 nan 0.000 0.454 376 S N 0.456 116.157 115.700 0.001 0.000 2.547 376 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 376 S C 0.587 175.203 174.600 0.026 0.000 0.980 376 S CA 0.731 58.958 58.200 0.044 0.000 0.941 376 S CB 0.044 63.287 63.200 0.071 0.000 0.763 376 S HN 0.281 nan 8.310 nan 0.000 0.532 377 D N 0.670 121.067 120.400 -0.004 0.000 2.349 377 D HA 0.236 4.876 4.640 -0.000 0.000 0.214 377 D C 0.189 176.473 176.300 -0.026 0.000 1.063 377 D CA 0.055 54.049 54.000 -0.010 0.000 0.847 377 D CB 0.172 40.963 40.800 -0.016 0.000 0.933 377 D HN 0.324 nan 8.370 nan 0.000 0.513 378 L N 2.091 123.290 121.223 -0.041 0.000 2.418 378 L HA 0.280 4.620 4.340 -0.000 0.000 0.265 378 L C -1.826 174.997 176.870 -0.079 0.000 1.143 378 L CA -1.680 53.123 54.840 -0.062 0.000 0.809 378 L CB 0.416 42.427 42.059 -0.080 0.000 1.124 378 L HN -0.198 nan 8.230 nan 0.000 0.456 379 P HA -0.003 nan 4.420 nan 0.000 0.269 379 P C 0.116 177.313 177.300 -0.172 0.000 1.209 379 P CA -0.396 62.644 63.100 -0.101 0.000 0.776 379 P CB 0.756 32.408 31.700 -0.081 0.000 0.876 380 K N 2.900 123.166 120.400 -0.222 0.000 2.074 380 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 380 K C 1.634 178.030 176.600 -0.340 0.000 1.048 380 K CA 1.960 58.008 56.287 -0.399 0.000 0.926 380 K CB -0.366 31.908 32.500 -0.376 0.000 0.713 380 K HN 0.565 nan 8.250 nan 0.000 0.444 381 E N 0.730 120.801 120.200 -0.215 0.000 2.118 381 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 381 E C 1.533 178.057 176.600 -0.127 0.000 0.992 381 E CA 1.109 57.417 56.400 -0.153 0.000 0.804 381 E CB -0.242 29.396 29.700 -0.102 0.000 0.741 381 E HN 0.178 nan 8.360 nan 0.000 0.458 382 K N 0.681 121.006 120.400 -0.125 0.000 2.228 382 K HA 0.133 4.453 4.320 -0.000 0.000 0.202 382 K C 2.379 178.914 176.600 -0.108 0.000 1.051 382 K CA 0.408 56.639 56.287 -0.093 0.000 0.960 382 K CB -0.244 32.211 32.500 -0.075 0.000 0.743 382 K HN 0.268 nan 8.250 nan 0.000 0.458 383 I N 1.175 121.636 120.570 -0.181 0.000 2.286 383 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 383 I C 2.068 178.105 176.117 -0.132 0.000 1.115 383 I CA 1.079 62.262 61.300 -0.194 0.000 1.392 383 I CB -0.253 37.517 38.000 -0.383 0.000 1.065 383 I HN 0.023 nan 8.210 nan 0.000 0.418 384 L N 0.050 121.183 121.223 -0.150 0.000 2.201 384 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 384 L C 1.544 178.410 176.870 -0.005 0.000 1.105 384 L CA 0.784 55.590 54.840 -0.057 0.000 0.775 384 L CB -0.430 41.597 42.059 -0.053 0.000 0.913 384 L HN 0.242 nan 8.230 nan 0.000 0.440 385 E N 1.889 122.080 120.200 -0.016 0.000 2.122 385 E HA -0.034 4.316 4.350 -0.000 0.000 0.288 385 E C -0.378 176.243 176.600 0.035 0.000 1.260 385 E CA -0.400 56.008 56.400 0.014 0.000 1.344 385 E CB 0.012 29.714 29.700 0.004 0.000 1.337 385 E HN 0.258 nan 8.360 nan 0.000 0.484 386 D N 2.248 122.684 120.400 0.061 0.000 2.994 386 D HA -0.045 4.595 4.640 -0.000 0.000 0.240 386 D C 0.224 176.607 176.300 0.138 0.000 1.195 386 D CA -0.330 53.727 54.000 0.094 0.000 0.957 386 D CB 0.434 41.298 40.800 0.106 0.000 1.105 386 D HN 0.237 nan 8.370 nan 0.000 0.477 387 D N 0.365 120.837 120.400 0.120 0.000 2.149 387 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 387 D C 1.390 177.789 176.300 0.166 0.000 1.001 387 D CA 0.939 55.013 54.000 0.124 0.000 0.849 387 D CB -0.309 40.549 40.800 0.096 0.000 0.939 387 D HN 0.408 nan 8.370 nan 0.000 0.449 388 F N 1.320 121.296 119.950 0.044 0.000 2.126 388 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 388 F C 2.539 178.386 175.800 0.078 0.000 1.096 388 F CA 1.467 59.496 58.000 0.048 0.000 1.255 388 F CB 0.051 39.058 39.000 0.012 0.000 0.997 388 F HN -0.202 nan 8.300 nan 0.000 0.479 389 R N -0.126 120.555 120.500 0.301 0.000 2.073 389 R HA -0.099 4.241 4.340 -0.000 0.000 0.229 389 R C 2.080 178.538 176.300 0.264 0.000 1.120 389 R CA 1.542 57.779 56.100 0.228 0.000 0.967 389 R CB -0.465 29.978 30.300 0.239 0.000 0.862 389 R HN 0.266 nan 8.270 nan 0.000 0.436 390 V N 1.627 121.683 119.914 0.236 0.000 2.287 390 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 390 V C 2.424 178.616 176.094 0.163 0.000 1.053 390 V CA 2.230 64.662 62.300 0.220 0.000 1.027 390 V CB -0.545 31.362 31.823 0.139 0.000 0.646 390 V HN 0.397 nan 8.190 nan 0.000 0.447 391 K N -1.038 119.408 120.400 0.077 0.000 2.057 391 K HA -0.224 4.096 4.320 -0.000 0.000 0.206 391 K C 2.226 178.828 176.600 0.005 0.000 1.050 391 K CA 1.681 57.971 56.287 0.004 0.000 0.935 391 K CB -0.342 32.115 32.500 -0.072 0.000 0.715 391 K HN 0.537 nan 8.250 nan 0.000 0.439 392 Y N 0.240 120.442 120.300 -0.162 0.000 2.081 392 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 392 Y C 1.797 177.637 175.900 -0.099 0.000 1.163 392 Y CA 2.125 60.108 58.100 -0.195 0.000 1.135 392 Y CB -0.379 37.856 38.460 -0.376 0.000 0.970 392 Y HN 0.114 nan 8.280 nan 0.000 0.498 393 Y N 0.148 120.621 120.300 0.289 0.000 2.181 393 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 393 Y C 2.787 178.710 175.900 0.038 0.000 1.146 393 Y CA 1.564 59.789 58.100 0.210 0.000 1.164 393 Y CB -0.575 38.014 38.460 0.216 0.000 0.982 393 Y HN 0.288 nan 8.280 nan 0.000 0.515 394 N N 0.821 119.603 118.700 0.136 0.000 2.069 394 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 394 N C 1.411 176.900 175.510 -0.034 0.000 1.031 394 N CA 1.790 54.838 53.050 -0.002 0.000 0.852 394 N CB -0.059 38.417 38.487 -0.018 0.000 1.018 394 N HN 0.512 nan 8.380 nan 0.000 0.423 395 E N -0.968 119.227 120.200 -0.009 0.000 2.107 395 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 395 E C 1.805 178.397 176.600 -0.014 0.000 0.982 395 E CA 0.777 57.153 56.400 -0.041 0.000 0.809 395 E CB -0.177 29.489 29.700 -0.058 0.000 0.756 395 E HN 0.505 nan 8.360 nan 0.000 0.459 396 Y N 0.863 121.080 120.300 -0.138 0.000 2.200 396 Y HA -0.142 4.408 4.550 -0.000 0.000 0.290 396 Y C 2.269 178.275 175.900 0.176 0.000 1.137 396 Y CA 0.741 58.865 58.100 0.041 0.000 1.163 396 Y CB 0.004 38.372 38.460 -0.153 0.000 0.988 396 Y HN -0.026 nan 8.280 nan 0.000 0.518 397 I N -0.211 120.445 120.570 0.144 0.000 2.226 397 I HA -0.339 3.831 4.170 -0.000 0.000 0.245 397 I C 2.296 178.307 176.117 -0.177 0.000 1.100 397 I CA 1.376 62.603 61.300 -0.122 0.000 1.374 397 I CB -0.349 37.403 38.000 -0.414 0.000 1.057 397 I HN 0.177 nan 8.210 nan 0.000 0.413 398 R N 0.653 121.049 120.500 -0.173 0.000 2.096 398 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 398 R C 2.436 178.622 176.300 -0.189 0.000 1.127 398 R CA 1.451 57.417 56.100 -0.224 0.000 0.968 398 R CB -0.475 29.692 30.300 -0.223 0.000 0.861 398 R HN 0.371 nan 8.270 nan 0.000 0.440 399 A N 1.218 123.960 122.820 -0.130 0.000 1.933 399 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 399 A C 2.130 179.570 177.584 -0.240 0.000 1.175 399 A CA 1.265 53.208 52.037 -0.158 0.000 0.628 399 A CB -0.423 18.492 19.000 -0.141 0.000 0.814 399 A HN 0.309 nan 8.150 nan 0.000 0.444 400 M N -0.322 119.126 119.600 -0.253 0.000 2.132 400 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 400 M C 1.863 178.036 176.300 -0.212 0.000 1.065 400 M CA 1.799 56.884 55.300 -0.357 0.000 1.122 400 M CB -0.201 32.291 32.600 -0.180 0.000 1.365 400 M HN 0.191 nan 8.290 nan 0.000 0.411 401 V N 0.601 120.399 119.914 -0.194 0.000 2.392 401 V HA -0.276 3.844 4.120 -0.000 0.000 0.249 401 V C 2.280 178.305 176.094 -0.114 0.000 1.059 401 V CA 2.346 64.546 62.300 -0.168 0.000 1.051 401 V CB -1.256 30.440 31.823 -0.212 0.000 0.658 401 V HN 0.585 nan 8.190 nan 0.000 0.455 402 T N 0.405 114.880 114.554 -0.133 0.000 2.684 402 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 402 T C 2.072 176.722 174.700 -0.083 0.000 1.036 402 T CA 1.688 63.734 62.100 -0.091 0.000 1.148 402 T CB -0.453 68.352 68.868 -0.105 0.000 0.863 402 T HN 0.590 nan 8.240 nan 0.000 0.436 403 A N 0.863 123.607 122.820 -0.127 0.000 1.902 403 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 403 A C 2.593 180.146 177.584 -0.052 0.000 1.181 403 A CA 1.383 53.353 52.037 -0.111 0.000 0.623 403 A CB -0.984 17.903 19.000 -0.188 0.000 0.818 403 A HN 0.360 nan 8.150 nan 0.000 0.443 404 V N -0.079 119.805 119.914 -0.050 0.000 2.270 404 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 404 V C 2.456 178.552 176.094 0.002 0.000 1.043 404 V CA 2.304 64.602 62.300 -0.004 0.000 1.014 404 V CB -0.789 31.031 31.823 -0.004 0.000 0.645 404 V HN 0.631 nan 8.190 nan 0.000 0.447 405 E N -0.266 119.929 120.200 -0.009 0.000 2.046 405 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 405 E C 2.186 178.786 176.600 -0.001 0.000 0.982 405 E CA 1.213 57.614 56.400 0.001 0.000 0.800 405 E CB -0.048 29.664 29.700 0.020 0.000 0.756 405 E HN 0.485 nan 8.360 nan 0.000 0.449 406 L N 0.477 121.697 121.223 -0.004 0.000 2.221 406 L HA -0.009 4.331 4.340 -0.000 0.000 0.202 406 L C 1.624 178.496 176.870 0.003 0.000 1.074 406 L CA 0.579 55.416 54.840 -0.004 0.000 0.795 406 L CB -0.016 42.039 42.059 -0.007 0.000 0.960 406 L HN 0.008 nan 8.230 nan 0.000 0.458 407 D N 0.176 120.581 120.400 0.008 0.000 2.349 407 D HA 0.036 4.676 4.640 -0.000 0.000 0.215 407 D C 1.321 177.674 176.300 0.088 0.000 1.016 407 D CA 1.006 55.029 54.000 0.038 0.000 0.870 407 D CB 0.557 41.369 40.800 0.020 0.000 0.917 407 D HN 0.398 nan 8.370 nan 0.000 0.524 408 G N 1.514 110.349 108.800 0.058 0.000 2.176 408 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 408 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 408 G C 0.428 175.429 174.900 0.168 0.000 1.024 408 G CA 0.103 45.241 45.100 0.064 0.000 0.755 408 G HN 0.264 nan 8.290 nan 0.000 0.507 409 V N 0.512 120.515 119.914 0.148 0.000 2.572 409 V HA 0.205 4.325 4.120 -0.000 0.000 0.291 409 V C 1.036 177.207 176.094 0.128 0.000 1.039 409 V CA 0.105 62.492 62.300 0.145 0.000 1.055 409 V CB 1.448 33.287 31.823 0.027 0.000 0.969 409 V HN 0.418 nan 8.190 nan 0.000 0.482 410 N N 4.689 123.481 118.700 0.154 0.000 3.124 410 N HA 0.134 4.874 4.740 -0.000 0.000 0.284 410 N C -0.601 174.967 175.510 0.097 0.000 1.209 410 N CA -0.083 53.044 53.050 0.128 0.000 1.149 410 N CB 0.114 38.688 38.487 0.145 0.000 1.434 410 N HN 0.450 nan 8.380 nan 0.000 0.529 411 V N 3.300 123.286 119.914 0.120 0.000 2.488 411 V HA 0.167 4.287 4.120 -0.000 0.000 0.277 411 V C 1.253 177.386 176.094 0.065 0.000 1.046 411 V CA -0.162 62.216 62.300 0.129 0.000 0.986 411 V CB 1.384 33.367 31.823 0.268 0.000 0.989 411 V HN 0.404 nan 8.190 nan 0.000 0.475 412 K N 2.922 123.126 120.400 -0.326 0.000 2.367 412 K HA 0.353 4.673 4.320 -0.000 0.000 0.195 412 K C 0.619 176.604 176.600 -1.026 0.000 1.060 412 K CA 0.564 56.491 56.287 -0.600 0.000 1.022 412 K CB 1.426 33.437 32.500 -0.814 0.000 0.894 412 K HN 0.825 nan 8.250 nan 0.000 0.540 413 G N 0.218 108.429 108.800 -0.983 0.000 2.601 413 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 413 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 413 G C -2.298 172.475 174.900 -0.211 0.000 1.456 413 G CA -0.571 44.006 45.100 -0.871 0.000 0.804 413 G HN 0.016 nan 8.290 nan 0.000 0.499 414 Y N 0.058 120.154 120.300 -0.341 0.000 2.401 414 Y HA 0.711 5.261 4.550 -0.000 0.000 0.330 414 Y C -1.891 173.859 175.900 -0.249 0.000 1.071 414 Y CA -1.343 56.801 58.100 0.073 0.000 1.049 414 Y CB 1.678 40.416 38.460 0.463 0.000 1.239 414 Y HN 0.458 nan 8.280 nan 0.000 0.437 415 F N 4.949 124.701 119.950 -0.330 0.000 2.477 415 F HA 0.731 5.258 4.527 -0.000 0.000 0.335 415 F C 0.220 175.867 175.800 -0.255 0.000 1.130 415 F CA -0.940 56.930 58.000 -0.217 0.000 0.948 415 F CB 1.833 40.777 39.000 -0.094 0.000 1.154 415 F HN 0.685 nan 8.300 nan 0.000 0.439 416 A N 4.395 127.259 122.820 0.074 0.000 2.409 416 A HA 0.144 4.464 4.320 -0.000 0.000 0.267 416 A C -0.890 176.989 177.584 0.492 0.000 1.127 416 A CA -0.396 51.824 52.037 0.304 0.000 0.795 416 A CB 0.249 19.363 19.000 0.191 0.000 1.061 416 A HN 0.886 nan 8.150 nan 0.000 0.502 417 W N 3.945 125.473 121.300 0.380 0.000 2.316 417 W HA 0.517 5.177 4.660 -0.000 0.000 0.308 417 W C -0.470 176.340 176.519 0.485 0.000 1.106 417 W CA -0.130 57.438 57.345 0.370 0.000 1.262 417 W CB 1.432 31.073 29.460 0.302 0.000 1.233 417 W HN 0.684 nan 8.180 nan 0.000 0.447 418 S N 4.317 119.987 115.700 -0.050 0.000 2.632 418 S HA 0.290 4.760 4.470 -0.000 0.000 0.289 418 S C 0.384 174.936 174.600 -0.080 0.000 1.115 418 S CA -0.719 57.177 58.200 -0.507 0.000 0.889 418 S CB 1.563 63.983 63.200 -1.299 0.000 1.116 418 S HN 0.532 nan 8.310 nan 0.000 0.486 419 L N 2.571 123.757 121.223 -0.063 0.000 2.042 419 L HA 0.214 4.554 4.340 -0.000 0.000 0.210 419 L C 0.653 177.419 176.870 -0.174 0.000 1.076 419 L CA 1.965 56.733 54.840 -0.121 0.000 0.749 419 L CB -0.528 41.518 42.059 -0.022 0.000 0.893 419 L HN 0.810 nan 8.230 nan 0.000 0.432 420 M N -2.836 116.672 119.600 -0.153 0.000 2.575 420 M HA 0.409 4.889 4.480 -0.000 0.000 0.284 420 M C -1.235 175.027 176.300 -0.063 0.000 1.253 420 M CA -0.981 54.258 55.300 -0.102 0.000 0.861 420 M CB 1.291 33.823 32.600 -0.113 0.000 1.733 420 M HN -0.318 nan 8.290 nan 0.000 0.462 421 D N 3.353 123.762 120.400 0.014 0.000 2.533 421 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 421 D C -0.613 175.747 176.300 0.100 0.000 1.137 421 D CA 1.102 55.157 54.000 0.090 0.000 0.867 421 D CB 0.245 41.123 40.800 0.129 0.000 1.170 421 D HN 0.801 nan 8.370 nan 0.000 0.474 422 N N 0.063 118.842 118.700 0.132 0.000 3.316 422 N HA 0.295 5.035 4.740 -0.000 0.000 0.300 422 N C -1.372 174.165 175.510 0.046 0.000 1.567 422 N CA -0.923 52.204 53.050 0.128 0.000 0.821 422 N CB 0.165 38.635 38.487 -0.029 0.000 1.748 422 N HN 0.178 nan 8.380 nan 0.000 0.603 423 F N 0.840 120.582 119.950 -0.347 0.000 2.462 423 F HA 0.315 4.842 4.527 -0.000 0.000 0.360 423 F C 0.572 175.954 175.800 -0.696 0.000 1.134 423 F CA -0.434 57.067 58.000 -0.831 0.000 1.148 423 F CB 0.509 38.993 39.000 -0.860 0.000 1.147 423 F HN 0.627 nan 8.300 nan 0.000 0.550 424 E N 7.333 127.007 120.200 -0.877 0.000 2.325 424 E HA 0.185 4.535 4.350 -0.000 0.000 0.295 424 E C -0.212 176.009 176.600 -0.631 0.000 1.461 424 E CA -0.133 55.920 56.400 -0.578 0.000 1.698 424 E CB -0.520 29.175 29.700 -0.009 0.000 1.496 424 E HN 0.726 nan 8.360 nan 0.000 0.474 425 W N 0.836 121.529 121.300 -1.012 0.000 2.259 425 W HA -0.473 4.187 4.660 0.000 0.000 0.293 425 W C 1.780 178.113 176.519 -0.310 0.000 1.351 425 W CA 0.975 57.855 57.345 -0.776 0.000 1.295 425 W CB -1.661 27.446 29.460 -0.588 0.000 0.892 425 W HN 0.327 nan 8.180 nan 0.000 0.520 426 A N -0.043 123.104 122.820 0.545 0.000 2.172 426 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 426 A C 1.311 179.065 177.584 0.283 0.000 1.154 426 A CA 2.155 54.518 52.037 0.544 0.000 0.701 426 A CB -0.671 18.764 19.000 0.726 0.000 0.789 426 A HN 0.507 nan 8.150 nan 0.000 0.465 427 D N -0.785 119.724 120.400 0.182 0.000 2.323 427 D HA 0.311 4.950 4.640 -0.000 0.000 0.209 427 D C 1.501 177.793 176.300 -0.014 0.000 0.973 427 D CA 1.186 55.255 54.000 0.114 0.000 0.874 427 D CB -0.042 40.851 40.800 0.155 0.000 0.930 427 D HN 0.568 nan 8.370 nan 0.000 0.521 428 G N 0.546 109.196 108.800 -0.250 0.000 2.539 428 G HA2 -0.357 3.602 3.960 -0.000 0.000 0.256 428 G HA3 -0.357 3.602 3.960 -0.000 0.000 0.256 428 G C 0.398 175.066 174.900 -0.387 0.000 1.233 428 G CA 0.124 45.024 45.100 -0.332 0.000 0.936 428 G HN 0.269 nan 8.290 nan 0.000 0.571 429 Y N 0.206 120.539 120.300 0.055 0.000 2.511 429 Y HA 0.239 4.789 4.550 -0.000 0.000 0.279 429 Y C 2.880 178.819 175.900 0.066 0.000 1.157 429 Y CA 0.880 59.021 58.100 0.067 0.000 1.300 429 Y CB -0.074 38.428 38.460 0.070 0.000 1.052 429 Y HN 0.309 nan 8.280 nan 0.000 0.529 430 V N -0.771 119.237 119.914 0.158 0.000 2.392 430 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 430 V C 0.951 177.096 176.094 0.085 0.000 1.059 430 V CA 1.680 64.049 62.300 0.115 0.000 1.051 430 V CB -0.780 31.095 31.823 0.088 0.000 0.658 430 V HN 0.238 nan 8.190 nan 0.000 0.455 431 T N 2.375 116.979 114.554 0.083 0.000 2.729 431 T HA 0.357 4.707 4.350 -0.000 0.000 0.296 431 T C 0.112 174.876 174.700 0.106 0.000 0.928 431 T CA -0.145 61.995 62.100 0.067 0.000 1.045 431 T CB 0.308 69.264 68.868 0.146 0.000 0.902 431 T HN 0.310 nan 8.240 nan 0.000 0.500 432 R N 2.599 123.105 120.500 0.011 0.000 2.265 432 R HA 0.343 4.683 4.340 -0.000 0.000 0.328 432 R C -0.286 176.003 176.300 -0.018 0.000 0.969 432 R CA -0.406 55.736 56.100 0.071 0.000 0.832 432 R CB 0.714 31.061 30.300 0.080 0.000 1.139 432 R HN 0.608 nan 8.270 nan 0.000 0.457 433 F N 0.330 120.355 119.950 0.126 0.000 2.678 433 F HA 0.235 4.762 4.527 0.000 0.000 0.305 433 F C 1.588 177.455 175.800 0.112 0.000 1.090 433 F CA -0.289 57.812 58.000 0.170 0.000 1.272 433 F CB 0.916 40.137 39.000 0.368 0.000 1.060 433 F HN 0.587 nan 8.300 nan 0.000 0.576 434 G N 0.303 109.227 108.800 0.206 0.000 2.467 434 G HA2 0.329 4.289 3.960 -0.000 0.000 0.257 434 G HA3 0.329 4.289 3.960 -0.000 0.000 0.257 434 G C 0.983 175.978 174.900 0.159 0.000 1.227 434 G CA -0.027 45.146 45.100 0.122 0.000 0.835 434 G HN 0.143 nan 8.290 nan 0.000 0.556 435 V N -0.644 119.352 119.914 0.136 0.000 3.541 435 V HA 0.252 4.372 4.120 -0.000 0.000 0.267 435 V C 0.729 176.860 176.094 0.060 0.000 1.213 435 V CA 0.797 63.180 62.300 0.140 0.000 1.149 435 V CB -0.804 31.112 31.823 0.154 0.000 0.822 435 V HN 0.445 nan 8.190 nan 0.000 0.462 436 T N 0.663 115.233 114.554 0.026 0.000 2.861 436 T HA 0.477 4.827 4.350 -0.000 0.000 0.287 436 T C -1.215 173.548 174.700 0.106 0.000 1.003 436 T CA -0.255 61.865 62.100 0.035 0.000 0.977 436 T CB 1.873 70.696 68.868 -0.076 0.000 0.996 436 T HN 0.374 nan 8.240 nan 0.000 0.448 437 Y N 2.874 123.197 120.300 0.038 0.000 2.304 437 Y HA 0.559 5.109 4.550 -0.000 0.000 0.328 437 Y C -0.617 175.293 175.900 0.017 0.000 1.123 437 Y CA -0.597 57.524 58.100 0.035 0.000 1.218 437 Y CB 0.719 39.203 38.460 0.041 0.000 1.207 437 Y HN 0.369 nan 8.280 nan 0.000 0.495 438 V N 6.161 125.685 119.914 -0.651 0.000 2.370 438 V HA 0.130 4.250 4.120 -0.000 0.000 0.283 438 V C -0.655 174.725 176.094 -1.190 0.000 1.023 438 V CA -0.743 61.111 62.300 -0.743 0.000 0.857 438 V CB 1.265 32.692 31.823 -0.661 0.000 0.985 438 V HN 0.704 nan 8.190 nan 0.000 0.443 439 D N 3.580 123.548 120.400 -0.720 0.000 2.456 439 D HA 0.239 4.879 4.640 -0.000 0.000 0.219 439 D C 0.402 176.502 176.300 -0.334 0.000 1.126 439 D CA -0.281 53.441 54.000 -0.463 0.000 0.890 439 D CB 0.584 41.372 40.800 -0.020 0.000 1.025 439 D HN 0.538 nan 8.370 nan 0.000 0.511 440 Y N 1.240 121.442 120.300 -0.163 0.000 2.619 440 Y HA 0.020 4.570 4.550 -0.000 0.000 0.308 440 Y C 1.662 177.525 175.900 -0.062 0.000 1.192 440 Y CA 0.182 58.214 58.100 -0.115 0.000 1.319 440 Y CB 0.387 38.758 38.460 -0.148 0.000 1.030 440 Y HN 0.306 nan 8.280 nan 0.000 0.517 441 E N -0.820 119.421 120.200 0.069 0.000 2.413 441 E HA 0.086 4.435 4.350 -0.000 0.000 0.203 441 E C 0.082 176.705 176.600 0.039 0.000 0.957 441 E CA 0.296 56.729 56.400 0.054 0.000 0.950 441 E CB 0.149 29.880 29.700 0.050 0.000 0.957 441 E HN 0.392 nan 8.360 nan 0.000 0.497 442 N N 1.095 119.820 118.700 0.042 0.000 2.806 442 N HA 0.257 4.997 4.740 -0.000 0.000 0.315 442 N C 0.497 176.036 175.510 0.047 0.000 1.738 442 N CA 0.588 53.676 53.050 0.063 0.000 0.993 442 N CB 1.598 40.157 38.487 0.120 0.000 1.324 442 N HN 0.142 nan 8.380 nan 0.000 0.493 443 G N 1.372 110.181 108.800 0.015 0.000 2.498 443 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.251 443 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.251 443 G C -0.108 174.758 174.900 -0.057 0.000 1.170 443 G CA -0.305 44.787 45.100 -0.013 0.000 0.944 443 G HN 0.360 nan 8.290 nan 0.000 0.567 444 Q N 0.396 120.135 119.800 -0.101 0.000 2.141 444 Q HA 0.219 4.559 4.340 -0.000 0.000 0.248 444 Q C 0.683 176.561 176.000 -0.205 0.000 0.834 444 Q CA -0.171 55.506 55.803 -0.209 0.000 1.096 444 Q CB 0.902 29.550 28.738 -0.150 0.000 1.189 444 Q HN 0.619 nan 8.270 nan 0.000 0.471 445 K N 1.443 121.767 120.400 -0.126 0.000 2.489 445 K HA 0.062 4.382 4.320 -0.000 0.000 0.278 445 K C -0.420 176.072 176.600 -0.179 0.000 1.000 445 K CA 0.039 56.233 56.287 -0.154 0.000 1.012 445 K CB 0.564 32.999 32.500 -0.107 0.000 0.903 445 K HN -0.144 nan 8.250 nan 0.000 0.485 446 R N 3.159 123.491 120.500 -0.280 0.000 2.308 446 R HA 0.251 4.591 4.340 -0.000 0.000 0.305 446 R C -1.059 175.033 176.300 -0.346 0.000 1.053 446 R CA -0.005 55.963 56.100 -0.220 0.000 0.957 446 R CB 0.443 30.618 30.300 -0.207 0.000 1.022 446 R HN 0.396 nan 8.270 nan 0.000 0.461 447 F N 4.725 124.657 119.950 -0.030 0.000 2.430 447 F HA 0.374 4.901 4.527 -0.000 0.000 0.362 447 F C -1.847 173.974 175.800 0.035 0.000 1.103 447 F CA -2.584 55.435 58.000 0.032 0.000 1.045 447 F CB 1.774 40.852 39.000 0.129 0.000 1.276 447 F HN 0.352 nan 8.300 nan 0.000 0.444 448 P HA 0.064 nan 4.420 nan 0.000 0.268 448 P C -0.518 176.850 177.300 0.114 0.000 1.204 448 P CA -0.103 63.037 63.100 0.066 0.000 0.768 448 P CB 0.683 32.389 31.700 0.010 0.000 0.842 449 K N 2.031 122.494 120.400 0.104 0.000 2.098 449 K HA 0.171 4.491 4.320 -0.000 0.000 0.244 449 K C 1.453 178.111 176.600 0.096 0.000 1.014 449 K CA -0.654 55.694 56.287 0.102 0.000 0.917 449 K CB 0.615 33.182 32.500 0.112 0.000 1.072 449 K HN 0.280 nan 8.250 nan 0.000 0.477 450 K N 0.974 121.428 120.400 0.089 0.000 2.074 450 K HA -0.226 4.093 4.320 -0.000 0.000 0.209 450 K C 1.988 178.656 176.600 0.115 0.000 1.048 450 K CA 2.281 58.622 56.287 0.090 0.000 0.926 450 K CB -0.139 32.408 32.500 0.078 0.000 0.713 450 K HN 0.667 nan 8.250 nan 0.000 0.444 451 S N 0.320 116.111 115.700 0.151 0.000 2.370 451 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 451 S C 2.196 176.901 174.600 0.174 0.000 1.033 451 S CA 1.078 59.400 58.200 0.202 0.000 1.011 451 S CB -0.578 62.811 63.200 0.315 0.000 0.852 451 S HN 0.414 nan 8.310 nan 0.000 0.457 452 A N 2.609 125.522 122.820 0.155 0.000 1.892 452 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 452 A C 2.251 179.953 177.584 0.197 0.000 1.188 452 A CA 1.840 53.968 52.037 0.153 0.000 0.631 452 A CB -0.691 18.324 19.000 0.025 0.000 0.822 452 A HN 0.645 nan 8.150 nan 0.000 0.447 453 K N 0.289 120.770 120.400 0.135 0.000 2.439 453 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 453 K C 2.069 178.734 176.600 0.107 0.000 1.041 453 K CA 1.113 57.474 56.287 0.124 0.000 0.970 453 K CB -0.086 32.467 32.500 0.087 0.000 0.773 453 K HN 0.677 nan 8.250 nan 0.000 0.479 454 S N 0.562 116.319 115.700 0.095 0.000 2.470 454 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 454 S C 1.901 176.484 174.600 -0.028 0.000 1.006 454 S CA 0.228 58.454 58.200 0.042 0.000 0.934 454 S CB -0.226 63.010 63.200 0.058 0.000 0.778 454 S HN 0.164 nan 8.310 nan 0.000 0.517 455 L N 1.130 122.338 121.223 -0.025 0.000 2.072 455 L HA 0.030 4.369 4.340 -0.000 0.000 0.205 455 L C 2.850 179.513 176.870 -0.345 0.000 1.079 455 L CA 1.511 56.211 54.840 -0.233 0.000 0.752 455 L CB -0.532 41.385 42.059 -0.236 0.000 0.906 455 L HN 0.352 nan 8.230 nan 0.000 0.436 456 K N 0.592 120.957 120.400 -0.059 0.000 2.009 456 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 456 K C -0.525 176.096 176.600 0.035 0.000 1.049 456 K CA 1.713 58.074 56.287 0.124 0.000 0.929 456 K CB -0.807 31.901 32.500 0.348 0.000 0.714 456 K HN 0.177 nan 8.250 nan 0.000 0.440 457 P HA -0.153 nan 4.420 nan 0.000 0.218 457 P C 1.459 178.698 177.300 -0.101 0.000 1.149 457 P CA 0.828 63.915 63.100 -0.021 0.000 0.817 457 P CB -0.032 31.660 31.700 -0.012 0.000 0.785 458 L N -0.988 120.107 121.223 -0.212 0.000 1.994 458 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 458 L C 2.333 178.942 176.870 -0.435 0.000 1.071 458 L CA 1.917 56.538 54.840 -0.364 0.000 0.745 458 L CB -1.578 40.168 42.059 -0.522 0.000 0.892 458 L HN -0.216 nan 8.230 nan 0.000 0.431 459 F N 0.047 119.763 119.950 -0.390 0.000 2.186 459 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 459 F C 2.294 178.010 175.800 -0.140 0.000 1.090 459 F CA 1.256 59.030 58.000 -0.377 0.000 1.307 459 F CB -0.742 37.803 39.000 -0.760 0.000 1.019 459 F HN 0.166 nan 8.300 nan 0.000 0.489 460 D N 0.126 120.582 120.400 0.094 0.000 2.149 460 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 460 D C 2.133 178.456 176.300 0.038 0.000 0.990 460 D CA 1.109 55.168 54.000 0.099 0.000 0.839 460 D CB -0.273 40.583 40.800 0.093 0.000 0.948 460 D HN 0.262 nan 8.370 nan 0.000 0.460 461 E N -0.208 119.980 120.200 -0.019 0.000 2.208 461 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 461 E C 2.248 178.824 176.600 -0.040 0.000 0.988 461 E CA 0.277 56.656 56.400 -0.035 0.000 0.828 461 E CB 0.173 29.833 29.700 -0.066 0.000 0.763 461 E HN 0.368 nan 8.360 nan 0.000 0.478 462 L N 0.011 121.197 121.223 -0.063 0.000 2.221 462 L HA 0.137 4.477 4.340 -0.000 0.000 0.202 462 L C 1.169 178.027 176.870 -0.022 0.000 1.074 462 L CA 0.207 55.002 54.840 -0.074 0.000 0.795 462 L CB 0.120 42.070 42.059 -0.181 0.000 0.960 462 L HN -0.070 nan 8.230 nan 0.000 0.458 463 I N 0.591 121.184 120.570 0.038 0.000 2.416 463 I HA 0.211 4.381 4.170 -0.000 0.000 0.288 463 I C 0.747 176.907 176.117 0.072 0.000 1.051 463 I CA -0.517 60.831 61.300 0.081 0.000 1.375 463 I CB 1.115 39.218 38.000 0.172 0.000 1.407 463 I HN 0.024 nan 8.210 nan 0.000 0.516 464 A N 0.000 122.857 122.820 0.061 0.000 2.254 464 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 464 A CA 0.000 52.067 52.037 0.050 0.000 0.836 464 A CB 0.000 19.024 19.000 0.041 0.000 0.831 464 A HN 0.000 nan 8.150 nan 0.000 0.486