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 3gkq_1_B DATA FIRST_RESID 8 DATA SEQUENCE AGIAERRTRA WAPYIDAKLG FRNHWYPVRL SAEVAEASPV PVQLLGEKVL DATA SEQUENCE LNRVDGVVHA IADRCLHRGV TLSDKVECYS KATISCWYHG WTYRWDNGKL DATA SEQUENCE VDILTNPTSV QIGRHALKTY PVREEKGLVF LFVGDQEPHD LAEDVPPGFL DATA SEQUENCE DADLAVHGQH RVVDANWRMG VENGFDAGHV FIHKSSILLD GNDIALPLGF DATA SEQUENCE APGDPEQLTR SVTGEGAPKG VFDLLGEHSV PIFEATIEGQ PAIQGHMGSK DATA SEQUENCE MVAISISVWL PGVLKVDPFP DPTLTQFEWY VPIDEGHHLY LQMLGRRVGS DATA SEQUENCE EEEARSFEAE FREKWVELAL NGFNDDDILA RRSMEPFYAD DRGWREEVLF DATA SEQUENCE ESDRAIIEWR RLASQYNRGI QTRD 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.572 177.584 -0.020 0.000 1.274 8 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 8 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 9 G N 0.593 109.382 108.800 -0.019 0.000 2.422 9 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.218 9 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.218 9 G C 1.373 176.256 174.900 -0.028 0.000 1.140 9 G CA 1.433 46.518 45.100 -0.025 0.000 0.775 9 G HN 0.481 nan 8.290 nan 0.000 0.545 10 I N 1.058 121.616 120.570 -0.019 0.000 2.439 10 I HA -0.068 4.102 4.170 -0.000 0.000 0.251 10 I C 3.164 179.266 176.117 -0.025 0.000 1.139 10 I CA 0.699 61.989 61.300 -0.016 0.000 1.438 10 I CB -0.064 37.935 38.000 -0.002 0.000 1.085 10 I HN 0.237 nan 8.210 nan 0.000 0.427 11 A N 0.408 123.213 122.820 -0.025 0.000 1.872 11 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 11 A C 2.356 179.888 177.584 -0.087 0.000 1.187 11 A CA 1.390 53.407 52.037 -0.034 0.000 0.614 11 A CB -0.483 18.508 19.000 -0.016 0.000 0.826 11 A HN 0.354 nan 8.150 nan 0.000 0.442 12 E N 0.585 120.736 120.200 -0.082 0.000 2.058 12 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 12 E C 2.186 178.699 176.600 -0.144 0.000 0.997 12 E CA 1.328 57.662 56.400 -0.111 0.000 0.801 12 E CB -0.299 29.355 29.700 -0.077 0.000 0.746 12 E HN 0.605 nan 8.360 nan 0.000 0.450 13 R N -0.048 120.388 120.500 -0.106 0.000 2.096 13 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 13 R C 2.708 178.926 176.300 -0.138 0.000 1.127 13 R CA 1.406 57.444 56.100 -0.104 0.000 0.968 13 R CB -0.307 29.957 30.300 -0.061 0.000 0.861 13 R HN 0.120 nan 8.270 nan 0.000 0.440 14 R N 0.804 121.221 120.500 -0.139 0.000 2.090 14 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 14 R C 1.795 177.845 176.300 -0.417 0.000 1.110 14 R CA 1.846 57.860 56.100 -0.143 0.000 0.973 14 R CB -0.009 30.270 30.300 -0.033 0.000 0.869 14 R HN 0.236 nan 8.270 nan 0.000 0.440 15 T N -2.633 111.555 114.554 -0.610 0.000 3.081 15 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 15 T C 1.638 175.756 174.700 -0.971 0.000 1.100 15 T CA -0.085 61.244 62.100 -1.284 0.000 1.038 15 T CB 0.002 68.346 68.868 -0.873 0.000 0.962 15 T HN 0.200 nan 8.240 nan 0.000 0.516 16 R N 1.707 121.887 120.500 -0.533 0.000 2.112 16 R HA -0.105 4.235 4.340 -0.000 0.000 0.242 16 R C 2.552 178.670 176.300 -0.302 0.000 1.137 16 R CA 1.981 57.883 56.100 -0.330 0.000 0.944 16 R CB -0.923 29.253 30.300 -0.207 0.000 0.857 16 R HN 0.476 nan 8.270 nan 0.000 0.435 17 A N 0.162 122.799 122.820 -0.306 0.000 2.178 17 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 17 A C 0.772 178.354 177.584 -0.005 0.000 1.157 17 A CA 1.163 53.125 52.037 -0.124 0.000 0.689 17 A CB -0.478 18.519 19.000 -0.004 0.000 0.787 17 A HN 0.725 nan 8.150 nan 0.000 0.465 18 W N -3.397 117.847 121.300 -0.092 0.000 2.075 18 W HA 0.653 5.314 4.660 0.000 0.000 0.332 18 W C 0.851 177.314 176.519 -0.093 0.000 0.905 18 W CA -0.264 57.010 57.345 -0.118 0.000 2.126 18 W CB -1.074 28.279 29.460 -0.177 0.000 1.143 18 W HN 0.224 nan 8.180 nan 0.000 0.542 19 A N 2.162 124.962 122.820 -0.033 0.000 1.940 19 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 19 A C -0.124 177.472 177.584 0.020 0.000 1.176 19 A CA 1.692 53.700 52.037 -0.048 0.000 0.631 19 A CB -1.514 17.435 19.000 -0.084 0.000 0.814 19 A HN 0.082 nan 8.150 nan 0.000 0.446 20 P HA -0.168 nan 4.420 nan 0.000 0.216 20 P C 1.429 178.844 177.300 0.190 0.000 1.153 20 P CA 1.143 64.308 63.100 0.108 0.000 0.848 20 P CB -0.167 31.589 31.700 0.093 0.000 0.787 21 Y N 0.328 120.657 120.300 0.049 0.000 2.181 21 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 21 Y C 2.032 177.812 175.900 -0.200 0.000 1.146 21 Y CA 1.353 59.453 58.100 0.001 0.000 1.164 21 Y CB -0.982 37.393 38.460 -0.141 0.000 0.982 21 Y HN -0.173 nan 8.280 nan 0.000 0.515 22 I N 0.025 120.447 120.570 -0.247 0.000 2.361 22 I HA -0.294 3.876 4.170 -0.000 0.000 0.251 22 I C 1.468 177.464 176.117 -0.200 0.000 1.133 22 I CA 1.590 62.594 61.300 -0.494 0.000 1.413 22 I CB -0.321 37.475 38.000 -0.341 0.000 1.073 22 I HN 0.213 nan 8.210 nan 0.000 0.424 23 D N 0.982 121.338 120.400 -0.073 0.000 2.323 23 D HA 0.055 4.695 4.640 -0.000 0.000 0.209 23 D C 1.477 177.791 176.300 0.023 0.000 0.973 23 D CA 0.470 54.470 54.000 0.001 0.000 0.874 23 D CB 0.096 40.916 40.800 0.034 0.000 0.930 23 D HN 0.205 nan 8.370 nan 0.000 0.521 24 A N 1.122 123.947 122.820 0.008 0.000 2.958 24 A HA -0.014 4.306 4.320 -0.000 0.000 0.247 24 A C 1.721 179.372 177.584 0.112 0.000 1.679 24 A CA 0.005 52.068 52.037 0.043 0.000 1.345 24 A CB -0.651 18.346 19.000 -0.004 0.000 1.013 24 A HN 0.012 nan 8.150 nan 0.000 0.641 25 K N -0.483 119.975 120.400 0.096 0.000 2.209 25 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 25 K C 0.921 177.685 176.600 0.273 0.000 1.048 25 K CA 1.087 57.466 56.287 0.153 0.000 0.940 25 K CB -0.060 32.499 32.500 0.099 0.000 0.729 25 K HN 0.467 nan 8.250 nan 0.000 0.451 26 L N 0.159 121.471 121.223 0.148 0.000 2.628 26 L HA 0.290 4.630 4.340 -0.000 0.000 0.229 26 L C 0.398 177.154 176.870 -0.190 0.000 1.137 26 L CA 1.009 55.870 54.840 0.034 0.000 0.909 26 L CB 0.218 42.282 42.059 0.008 0.000 1.137 26 L HN 0.432 nan 8.230 nan 0.000 0.470 27 G N -1.300 107.341 108.800 -0.264 0.000 2.631 27 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.504 27 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.504 27 G C -0.728 173.895 174.900 -0.461 0.000 1.306 27 G CA -0.722 43.868 45.100 -0.850 0.000 0.897 27 G HN -0.103 nan 8.290 nan 0.000 0.520 28 F N 0.899 120.815 119.950 -0.056 0.000 2.415 28 F HA 0.692 5.219 4.527 -0.000 0.000 0.348 28 F C 1.089 177.051 175.800 0.270 0.000 1.119 28 F CA -0.661 57.436 58.000 0.161 0.000 1.069 28 F CB 1.666 40.777 39.000 0.184 0.000 1.124 28 F HN 0.655 nan 8.300 nan 0.000 0.472 29 R N 2.337 123.059 120.500 0.371 0.000 2.560 29 R HA 0.267 4.607 4.340 -0.000 0.000 0.270 29 R C 0.092 176.452 176.300 0.100 0.000 1.074 29 R CA -0.120 56.088 56.100 0.181 0.000 1.140 29 R CB 0.359 30.714 30.300 0.092 0.000 1.073 29 R HN 0.789 nan 8.270 nan 0.000 0.527 30 N N 1.789 120.380 118.700 -0.182 0.000 2.816 30 N HA -0.177 4.563 4.740 -0.000 0.000 0.247 30 N C -1.502 173.687 175.510 -0.536 0.000 1.100 30 N CA 0.834 53.643 53.050 -0.402 0.000 0.687 30 N CB -1.242 37.208 38.487 -0.062 0.000 1.003 30 N HN 0.593 nan 8.380 nan 0.000 0.554 31 H N -1.746 117.046 119.070 -0.464 0.000 2.985 31 H HA 0.304 4.860 4.556 -0.000 0.000 0.360 31 H C -0.289 174.808 175.328 -0.384 0.000 1.221 31 H CA -0.386 55.561 56.048 -0.168 0.000 1.121 31 H CB 0.761 30.467 29.762 -0.094 0.000 1.854 31 H HN 0.031 nan 8.280 nan 0.000 0.551 32 W N 1.186 122.538 121.300 0.087 0.000 2.316 32 W HA 0.361 5.021 4.660 0.000 0.000 0.321 32 W C -0.680 175.818 176.519 -0.036 0.000 1.203 32 W CA -0.131 57.303 57.345 0.148 0.000 1.214 32 W CB 0.556 30.121 29.460 0.176 0.000 1.169 32 W HN 0.329 nan 8.180 nan 0.000 0.561 33 Y N 3.152 123.789 120.300 0.561 0.000 2.421 33 Y HA 0.338 4.888 4.550 -0.000 0.000 0.339 33 Y C -2.078 173.857 175.900 0.059 0.000 0.996 33 Y CA -2.845 55.442 58.100 0.311 0.000 1.046 33 Y CB 1.965 40.505 38.460 0.133 0.000 1.226 33 Y HN 0.117 nan 8.280 nan 0.000 0.445 34 P HA 0.159 nan 4.420 nan 0.000 0.284 34 P C 0.182 177.236 177.300 -0.410 0.000 1.253 34 P CA -0.151 62.431 63.100 -0.864 0.000 0.800 34 P CB 2.286 33.044 31.700 -1.571 0.000 0.961 35 V N 0.117 119.830 119.914 -0.335 0.000 3.539 35 V HA 0.486 4.606 4.120 -0.000 0.000 0.262 35 V C 0.644 176.569 176.094 -0.282 0.000 1.381 35 V CA 0.374 62.526 62.300 -0.246 0.000 1.060 35 V CB -0.301 31.426 31.823 -0.160 0.000 0.842 35 V HN 0.404 nan 8.190 nan 0.000 0.445 36 R N -0.504 119.846 120.500 -0.249 0.000 2.692 36 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 36 R C -1.573 174.671 176.300 -0.093 0.000 1.030 36 R CA -0.610 55.399 56.100 -0.151 0.000 0.882 36 R CB 1.628 31.871 30.300 -0.096 0.000 1.250 36 R HN 0.299 nan 8.270 nan 0.000 0.465 37 L N 1.694 122.934 121.223 0.028 0.000 2.417 37 L HA 0.250 4.590 4.340 -0.000 0.000 0.268 37 L C 1.172 178.024 176.870 -0.031 0.000 1.158 37 L CA -0.164 54.673 54.840 -0.006 0.000 0.819 37 L CB 1.423 43.498 42.059 0.027 0.000 1.112 37 L HN 0.791 nan 8.230 nan 0.000 0.458 38 S N 1.886 117.557 115.700 -0.047 0.000 2.380 38 S HA -0.270 4.200 4.470 -0.000 0.000 0.229 38 S C 1.899 176.478 174.600 -0.035 0.000 1.043 38 S CA 1.744 59.917 58.200 -0.045 0.000 1.038 38 S CB -0.244 62.929 63.200 -0.045 0.000 0.872 38 S HN 0.823 nan 8.310 nan 0.000 0.456 39 A N 1.041 123.846 122.820 -0.025 0.000 2.070 39 A HA -0.111 4.209 4.320 -0.000 0.000 0.220 39 A C 1.831 179.405 177.584 -0.018 0.000 1.159 39 A CA 1.197 53.222 52.037 -0.021 0.000 0.656 39 A CB -0.397 18.594 19.000 -0.015 0.000 0.800 39 A HN 0.601 nan 8.150 nan 0.000 0.453 40 E N -0.672 119.523 120.200 -0.010 0.000 2.435 40 E HA 0.060 4.410 4.350 -0.000 0.000 0.195 40 E C -0.507 176.081 176.600 -0.021 0.000 1.029 40 E CA 0.195 56.594 56.400 -0.002 0.000 0.865 40 E CB 0.238 29.958 29.700 0.033 0.000 0.833 40 E HN 0.324 nan 8.360 nan 0.000 0.510 41 V N 1.887 121.779 119.914 -0.037 0.000 2.235 41 V HA 0.357 4.477 4.120 -0.000 0.000 0.266 41 V C 0.026 176.080 176.094 -0.066 0.000 1.055 41 V CA -0.581 61.684 62.300 -0.058 0.000 0.844 41 V CB 0.528 32.311 31.823 -0.068 0.000 1.097 41 V HN 0.104 nan 8.190 nan 0.000 0.453 42 A N 2.346 125.130 122.820 -0.060 0.000 2.286 42 A HA 0.648 4.968 4.320 -0.000 0.000 0.286 42 A C 0.308 177.846 177.584 -0.077 0.000 1.097 42 A CA -0.403 51.599 52.037 -0.058 0.000 0.821 42 A CB 0.532 19.507 19.000 -0.041 0.000 1.076 42 A HN 0.730 nan 8.150 nan 0.000 0.490 43 E N 1.099 121.259 120.200 -0.067 0.000 2.529 43 E HA 0.274 4.624 4.350 -0.000 0.000 0.259 43 E C 0.809 177.364 176.600 -0.075 0.000 0.966 43 E CA 1.408 57.764 56.400 -0.072 0.000 0.937 43 E CB -0.125 29.547 29.700 -0.046 0.000 0.923 43 E HN 1.922 nan 8.360 nan 0.000 0.468 44 A N 3.598 126.355 122.820 -0.106 0.000 2.704 44 A HA -0.215 4.105 4.320 -0.000 0.000 0.299 44 A C 0.510 178.053 177.584 -0.068 0.000 1.507 44 A CA 1.254 53.238 52.037 -0.089 0.000 0.776 44 A CB -1.907 17.072 19.000 -0.035 0.000 1.027 44 A HN 0.524 nan 8.150 nan 0.000 0.475 45 S N -0.326 115.317 115.700 -0.095 0.000 2.317 45 S HA 0.541 5.011 4.470 -0.000 0.000 0.144 45 S C -2.655 171.904 174.600 -0.069 0.000 1.660 45 S CA -0.982 57.184 58.200 -0.056 0.000 1.273 45 S CB 0.313 63.487 63.200 -0.044 0.000 1.330 45 S HN 0.275 nan 8.310 nan 0.000 0.395 46 P HA 0.056 nan 4.420 nan 0.000 0.263 46 P C -1.111 176.200 177.300 0.019 0.000 1.175 46 P CA 0.062 63.151 63.100 -0.019 0.000 0.761 46 P CB 0.583 32.393 31.700 0.184 0.000 0.794 47 V N 5.853 125.774 119.914 0.011 0.000 2.525 47 V HA 0.413 4.533 4.120 -0.000 0.000 0.299 47 V C -2.196 173.913 176.094 0.026 0.000 1.034 47 V CA -1.886 60.421 62.300 0.012 0.000 0.863 47 V CB 2.231 34.045 31.823 -0.016 0.000 0.999 47 V HN 0.520 nan 8.190 nan 0.000 0.423 48 P HA 0.547 nan 4.420 nan 0.000 0.288 48 P C -0.967 176.320 177.300 -0.021 0.000 1.267 48 P CA -0.272 62.839 63.100 0.018 0.000 0.815 48 P CB 2.169 33.886 31.700 0.027 0.000 0.989 49 V N -0.211 119.676 119.914 -0.045 0.000 3.160 49 V HA 0.669 4.789 4.120 -0.000 0.000 0.310 49 V C -1.110 174.930 176.094 -0.089 0.000 1.181 49 V CA -1.012 61.242 62.300 -0.077 0.000 1.047 49 V CB 2.039 33.798 31.823 -0.106 0.000 1.068 49 V HN 0.595 nan 8.190 nan 0.000 0.441 50 Q N 1.713 121.456 119.800 -0.095 0.000 2.285 50 Q HA 0.775 5.115 4.340 -0.000 0.000 0.269 50 Q C -1.747 174.189 176.000 -0.106 0.000 1.030 50 Q CA -0.788 54.960 55.803 -0.091 0.000 0.788 50 Q CB 2.203 30.902 28.738 -0.064 0.000 1.266 50 Q HN 1.041 nan 8.270 nan 0.000 0.438 51 L N 1.313 122.458 121.223 -0.129 0.000 2.455 51 L HA 0.591 4.931 4.340 -0.000 0.000 0.264 51 L C -0.627 176.137 176.870 -0.176 0.000 0.968 51 L CA -1.149 53.592 54.840 -0.166 0.000 0.827 51 L CB 1.612 43.548 42.059 -0.204 0.000 1.317 51 L HN 0.687 nan 8.230 nan 0.000 0.407 52 L N 3.438 124.531 121.223 -0.217 0.000 3.737 52 L HA -0.181 4.159 4.340 -0.000 0.000 0.418 52 L C 1.333 178.151 176.870 -0.086 0.000 1.216 52 L CA 1.479 56.201 54.840 -0.198 0.000 0.915 52 L CB -1.775 40.129 42.059 -0.259 0.000 1.834 52 L HN 1.291 nan 8.230 nan 0.000 0.943 53 G N -1.983 106.786 108.800 -0.053 0.000 2.184 53 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 53 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 53 G C 0.282 175.176 174.900 -0.010 0.000 0.975 53 G CA 0.529 45.620 45.100 -0.016 0.000 0.642 53 G HN 0.541 nan 8.290 nan 0.000 0.536 54 E N 0.455 120.643 120.200 -0.021 0.000 2.175 54 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 54 E C -0.151 176.427 176.600 -0.037 0.000 0.969 54 E CA -0.640 55.764 56.400 0.007 0.000 0.796 54 E CB 1.132 30.875 29.700 0.073 0.000 1.104 54 E HN 0.252 nan 8.360 nan 0.000 0.395 55 K N 2.223 122.615 120.400 -0.012 0.000 2.285 55 K HA 0.328 4.648 4.320 -0.000 0.000 0.286 55 K C -0.700 175.873 176.600 -0.046 0.000 1.072 55 K CA -0.348 55.921 56.287 -0.030 0.000 0.913 55 K CB 1.106 33.605 32.500 -0.002 0.000 1.067 55 K HN 0.182 nan 8.250 nan 0.000 0.479 56 V N 4.052 123.902 119.914 -0.106 0.000 2.864 56 V HA 0.436 4.556 4.120 -0.000 0.000 0.314 56 V C -0.493 175.586 176.094 -0.026 0.000 1.073 56 V CA -1.089 61.130 62.300 -0.136 0.000 0.956 56 V CB 2.096 33.684 31.823 -0.391 0.000 1.023 56 V HN 0.647 nan 8.190 nan 0.000 0.435 57 L N 4.058 125.322 121.223 0.067 0.000 2.349 57 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 57 L C -1.151 175.874 176.870 0.258 0.000 0.996 57 L CA -0.417 54.527 54.840 0.174 0.000 0.825 57 L CB 1.526 43.735 42.059 0.251 0.000 1.243 57 L HN 0.547 nan 8.230 nan 0.000 0.412 58 L N 4.119 125.423 121.223 0.134 0.000 2.334 58 L HA 0.628 4.968 4.340 -0.000 0.000 0.270 58 L C -0.516 176.259 176.870 -0.157 0.000 1.018 58 L CA -0.666 54.197 54.840 0.039 0.000 0.811 58 L CB 1.847 43.895 42.059 -0.019 0.000 1.271 58 L HN 0.550 nan 8.230 nan 0.000 0.443 59 N N 0.601 119.091 118.700 -0.350 0.000 2.815 59 N HA 0.294 5.033 4.740 -0.000 0.000 0.253 59 N C -1.721 173.540 175.510 -0.415 0.000 1.202 59 N CA -0.771 51.914 53.050 -0.609 0.000 0.925 59 N CB 2.184 39.711 38.487 -1.600 0.000 1.622 59 N HN 0.547 nan 8.380 nan 0.000 0.497 60 R N 2.360 122.671 120.500 -0.314 0.000 2.343 60 R HA 0.654 4.994 4.340 -0.000 0.000 0.320 60 R C -1.442 174.758 176.300 -0.167 0.000 0.956 60 R CA -0.525 55.456 56.100 -0.198 0.000 0.836 60 R CB 0.783 31.001 30.300 -0.138 0.000 1.151 60 R HN 0.317 nan 8.270 nan 0.000 0.450 61 V N 5.311 125.181 119.914 -0.073 0.000 2.350 61 V HA 0.185 4.305 4.120 -0.000 0.000 0.285 61 V C -0.456 175.659 176.094 0.034 0.000 1.014 61 V CA -0.629 61.668 62.300 -0.004 0.000 0.831 61 V CB 1.502 33.374 31.823 0.083 0.000 1.000 61 V HN 0.949 nan 8.190 nan 0.000 0.433 62 D N 4.549 124.956 120.400 0.011 0.000 2.699 62 D HA -0.191 4.449 4.640 -0.000 0.000 0.239 62 D C 1.346 177.645 176.300 -0.002 0.000 1.136 62 D CA 1.686 55.695 54.000 0.015 0.000 0.668 62 D CB -1.044 39.779 40.800 0.040 0.000 1.060 62 D HN 1.357 nan 8.370 nan 0.000 0.429 63 G N -2.295 106.489 108.800 -0.027 0.000 2.267 63 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.257 63 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.257 63 G C 0.432 175.290 174.900 -0.069 0.000 0.998 63 G CA 0.345 45.420 45.100 -0.042 0.000 0.620 63 G HN 0.659 nan 8.290 nan 0.000 0.529 64 V N 1.674 121.537 119.914 -0.084 0.000 2.407 64 V HA 0.568 4.688 4.120 -0.000 0.000 0.278 64 V C 0.853 176.749 176.094 -0.329 0.000 1.037 64 V CA -0.756 61.431 62.300 -0.187 0.000 0.900 64 V CB 1.760 33.471 31.823 -0.185 0.000 0.983 64 V HN 0.245 nan 8.190 nan 0.000 0.459 65 V N 5.757 125.489 119.914 -0.304 0.000 2.530 65 V HA 0.332 4.452 4.120 -0.000 0.000 0.282 65 V C 0.027 175.903 176.094 -0.363 0.000 1.048 65 V CA -0.255 61.890 62.300 -0.258 0.000 0.997 65 V CB 0.538 32.288 31.823 -0.121 0.000 0.987 65 V HN 0.805 nan 8.190 nan 0.000 0.477 66 H N 2.633 121.704 119.070 0.001 0.000 2.679 66 H HA 0.799 5.355 4.556 -0.000 0.000 0.367 66 H C -0.278 175.154 175.328 0.173 0.000 1.162 66 H CA -0.541 55.580 56.048 0.122 0.000 1.181 66 H CB 2.308 32.187 29.762 0.195 0.000 1.693 66 H HN 0.706 nan 8.280 nan 0.000 0.538 67 A N 3.114 126.165 122.820 0.385 0.000 2.381 67 A HA 0.608 4.928 4.320 -0.000 0.000 0.299 67 A C -0.416 177.413 177.584 0.409 0.000 1.049 67 A CA -0.651 51.585 52.037 0.331 0.000 0.715 67 A CB 0.774 19.907 19.000 0.222 0.000 1.222 67 A HN 0.648 nan 8.150 nan 0.000 0.428 68 I N -0.655 120.134 120.570 0.366 0.000 2.934 68 I HA 0.889 5.059 4.170 -0.000 0.000 0.306 68 I C 0.291 176.550 176.117 0.237 0.000 1.110 68 I CA -1.314 60.160 61.300 0.290 0.000 1.019 68 I CB 2.140 40.211 38.000 0.120 0.000 1.227 68 I HN 0.684 nan 8.210 nan 0.000 0.434 69 A N 2.030 124.987 122.820 0.228 0.000 2.520 69 A HA 0.058 4.378 4.320 -0.000 0.000 0.245 69 A C 0.129 177.737 177.584 0.041 0.000 1.072 69 A CA 0.131 52.277 52.037 0.181 0.000 0.761 69 A CB -0.158 18.914 19.000 0.121 0.000 1.004 69 A HN 0.775 nan 8.150 nan 0.000 0.499 70 D N 1.311 121.735 120.400 0.040 0.000 2.994 70 D HA 0.212 4.852 4.640 -0.000 0.000 0.240 70 D C 0.182 176.489 176.300 0.011 0.000 1.195 70 D CA 0.286 54.300 54.000 0.025 0.000 0.957 70 D CB -0.682 40.142 40.800 0.040 0.000 1.105 70 D HN 0.533 nan 8.370 nan 0.000 0.477 71 R N 0.804 121.282 120.500 -0.036 0.000 2.522 71 R HA 0.257 4.597 4.340 -0.000 0.000 0.273 71 R C -1.434 174.800 176.300 -0.110 0.000 1.133 71 R CA -0.703 55.372 56.100 -0.042 0.000 0.969 71 R CB 0.698 30.987 30.300 -0.018 0.000 1.235 71 R HN 0.179 nan 8.270 nan 0.000 0.433 72 C N 5.417 124.655 119.300 -0.103 0.000 2.644 72 C HA 0.240 4.700 4.460 -0.000 0.000 0.417 72 C C 1.888 176.821 174.990 -0.096 0.000 1.304 72 C CA -0.419 58.538 59.018 -0.102 0.000 2.035 72 C CB -0.347 27.330 27.740 -0.105 0.000 2.673 72 C HN 0.945 nan 8.230 nan 0.000 0.602 73 L N 4.095 125.315 121.223 -0.005 0.000 2.291 73 L HA -0.052 4.288 4.340 -0.000 0.000 0.214 73 L C 2.377 179.109 176.870 -0.230 0.000 1.120 73 L CA 1.000 55.825 54.840 -0.025 0.000 0.799 73 L CB -0.896 41.270 42.059 0.179 0.000 0.925 73 L HN 0.861 nan 8.230 nan 0.000 0.446 74 H N 0.899 119.525 119.070 -0.740 0.000 2.300 74 H HA -0.018 4.538 4.556 0.000 0.000 0.302 74 H C 1.228 176.232 175.328 -0.539 0.000 1.049 74 H CA 0.903 56.309 56.048 -1.069 0.000 1.254 74 H CB 0.466 29.164 29.762 -1.773 0.000 1.396 74 H HN 0.055 nan 8.280 nan 0.000 0.518 75 R N -0.101 120.033 120.500 -0.610 0.000 2.546 75 R HA 0.151 4.491 4.340 -0.000 0.000 0.320 75 R C 0.811 176.987 176.300 -0.206 0.000 1.021 75 R CA 0.469 56.297 56.100 -0.453 0.000 1.088 75 R CB 0.483 30.510 30.300 -0.455 0.000 1.278 75 R HN 0.730 nan 8.270 nan 0.000 0.557 76 G N 1.356 110.050 108.800 -0.177 0.000 2.168 76 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.257 76 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.257 76 G C 0.473 175.346 174.900 -0.046 0.000 0.997 76 G CA 0.598 45.641 45.100 -0.093 0.000 0.708 76 G HN 0.300 nan 8.290 nan 0.000 0.520 77 V N -2.408 117.471 119.914 -0.057 0.000 3.185 77 V HA 0.722 4.842 4.120 -0.000 0.000 0.305 77 V C 0.828 176.969 176.094 0.078 0.000 1.090 77 V CA 0.200 62.517 62.300 0.028 0.000 1.107 77 V CB 1.117 32.898 31.823 -0.069 0.000 1.061 77 V HN 0.341 nan 8.190 nan 0.000 0.480 78 T N 4.363 119.039 114.554 0.203 0.000 2.727 78 T HA 0.385 4.735 4.350 -0.000 0.000 0.295 78 T C 1.250 176.156 174.700 0.343 0.000 0.915 78 T CA -0.115 62.099 62.100 0.190 0.000 1.066 78 T CB 0.670 69.626 68.868 0.148 0.000 0.891 78 T HN 0.623 nan 8.240 nan 0.000 0.516 79 L N 2.818 124.175 121.223 0.223 0.000 2.013 79 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 79 L C 2.779 179.861 176.870 0.353 0.000 1.073 79 L CA 1.556 56.567 54.840 0.284 0.000 0.753 79 L CB -0.684 41.437 42.059 0.103 0.000 0.890 79 L HN 0.708 nan 8.230 nan 0.000 0.432 80 S N -1.667 114.159 115.700 0.210 0.000 2.595 80 S HA -0.134 4.336 4.470 -0.000 0.000 0.235 80 S C 1.291 175.927 174.600 0.060 0.000 0.974 80 S CA 0.825 59.108 58.200 0.138 0.000 0.942 80 S CB -0.414 62.845 63.200 0.098 0.000 0.766 80 S HN 0.357 nan 8.310 nan 0.000 0.536 81 D N 1.804 122.239 120.400 0.058 0.000 2.264 81 D HA 0.069 4.709 4.640 -0.000 0.000 0.208 81 D C 0.749 176.809 176.300 -0.400 0.000 0.966 81 D CA 1.123 55.016 54.000 -0.178 0.000 0.864 81 D CB 0.049 40.704 40.800 -0.242 0.000 0.933 81 D HN 0.554 nan 8.370 nan 0.000 0.499 82 K N 0.329 120.499 120.400 -0.384 0.000 2.805 82 K HA 0.173 4.493 4.320 -0.000 0.000 0.276 82 K C -1.472 175.156 176.600 0.046 0.000 1.209 82 K CA -0.246 55.856 56.287 -0.308 0.000 1.065 82 K CB 1.029 33.152 32.500 -0.629 0.000 1.363 82 K HN -0.295 nan 8.250 nan 0.000 0.546 83 V N 3.351 123.308 119.914 0.073 0.000 2.529 83 V HA 0.096 4.216 4.120 -0.000 0.000 0.292 83 V C -0.018 176.135 176.094 0.098 0.000 1.028 83 V CA 0.461 62.844 62.300 0.139 0.000 1.074 83 V CB 0.806 32.705 31.823 0.127 0.000 0.958 83 V HN 0.650 nan 8.190 nan 0.000 0.481 84 E N 3.667 123.928 120.200 0.102 0.000 2.265 84 E HA 0.453 4.803 4.350 -0.000 0.000 0.262 84 E C -1.540 174.937 176.600 -0.205 0.000 0.889 84 E CA -0.500 55.854 56.400 -0.076 0.000 0.789 84 E CB 1.826 31.575 29.700 0.082 0.000 1.221 84 E HN 0.661 nan 8.360 nan 0.000 0.414 85 C N 2.907 121.984 119.300 -0.371 0.000 2.340 85 C HA 0.359 4.819 4.460 -0.000 0.000 0.323 85 C C -0.058 174.664 174.990 -0.446 0.000 1.260 85 C CA -0.587 58.301 59.018 -0.217 0.000 1.464 85 C CB -0.414 27.366 27.740 0.066 0.000 2.156 85 C HN 0.854 nan 8.230 nan 0.000 0.476 86 Y N 1.328 121.699 120.300 0.118 0.000 2.531 86 Y HA 0.281 4.831 4.550 -0.000 0.000 0.249 86 Y C 1.305 177.253 175.900 0.080 0.000 1.168 86 Y CA -0.030 58.123 58.100 0.089 0.000 1.226 86 Y CB 0.246 38.749 38.460 0.072 0.000 1.177 86 Y HN 0.712 nan 8.280 nan 0.000 0.527 87 S N -1.556 114.249 115.700 0.175 0.000 2.537 87 S HA 0.272 4.742 4.470 -0.000 0.000 0.270 87 S C 0.397 175.085 174.600 0.145 0.000 1.142 87 S CA -1.005 57.281 58.200 0.143 0.000 0.870 87 S CB 2.097 65.374 63.200 0.128 0.000 1.112 87 S HN 0.130 nan 8.310 nan 0.000 0.466 88 K N 1.217 121.691 120.400 0.124 0.000 2.074 88 K HA -0.100 4.220 4.320 -0.000 0.000 0.209 88 K C 1.684 178.399 176.600 0.192 0.000 1.048 88 K CA 1.806 58.170 56.287 0.128 0.000 0.926 88 K CB -0.607 31.947 32.500 0.091 0.000 0.713 88 K HN 0.801 nan 8.250 nan 0.000 0.444 89 A N 0.557 123.491 122.820 0.190 0.000 2.275 89 A HA 0.067 4.387 4.320 -0.000 0.000 0.212 89 A C 0.600 178.368 177.584 0.306 0.000 1.201 89 A CA 0.589 52.772 52.037 0.242 0.000 0.843 89 A CB -0.092 18.989 19.000 0.136 0.000 0.873 89 A HN 0.523 nan 8.150 nan 0.000 0.492 90 T N -3.032 111.670 114.554 0.247 0.000 2.887 90 T HA 0.689 5.039 4.350 -0.000 0.000 0.292 90 T C -0.631 174.087 174.700 0.030 0.000 1.087 90 T CA -0.750 61.385 62.100 0.059 0.000 1.009 90 T CB 1.531 70.428 68.868 0.050 0.000 1.203 90 T HN 0.365 nan 8.240 nan 0.000 0.518 91 I N 0.538 120.993 120.570 -0.192 0.000 2.608 91 I HA 0.640 4.810 4.170 -0.000 0.000 0.295 91 I C -1.116 175.031 176.117 0.050 0.000 1.049 91 I CA -0.631 60.609 61.300 -0.101 0.000 1.063 91 I CB 2.159 39.910 38.000 -0.416 0.000 1.248 91 I HN 0.771 nan 8.210 nan 0.000 0.424 92 S N 6.341 122.126 115.700 0.142 0.000 2.478 92 S HA 0.273 4.743 4.470 -0.000 0.000 0.312 92 S C -0.584 174.165 174.600 0.249 0.000 1.094 92 S CA -0.479 57.860 58.200 0.231 0.000 1.081 92 S CB 1.173 64.597 63.200 0.372 0.000 1.007 92 S HN 0.768 nan 8.310 nan 0.000 0.475 93 C N 6.389 125.831 119.300 0.237 0.000 2.611 93 C HA 0.094 4.554 4.460 -0.000 0.000 0.416 93 C C 2.000 177.057 174.990 0.111 0.000 1.366 93 C CA -0.419 58.666 59.018 0.112 0.000 1.761 93 C CB -0.765 26.998 27.740 0.039 0.000 2.619 93 C HN 1.039 nan 8.230 nan 0.000 0.606 94 W N 4.938 126.341 121.300 0.171 0.000 2.611 94 W HA -0.045 4.615 4.660 -0.000 0.000 0.251 94 W C 1.300 177.908 176.519 0.149 0.000 1.265 94 W CA 0.268 57.699 57.345 0.144 0.000 1.295 94 W CB -1.157 28.350 29.460 0.077 0.000 1.129 94 W HN 0.835 nan 8.180 nan 0.000 0.630 95 Y N 1.926 121.936 120.300 -0.483 0.000 2.190 95 Y HA -0.010 4.540 4.550 -0.000 0.000 0.290 95 Y C 1.354 176.942 175.900 -0.520 0.000 1.115 95 Y CA 1.437 59.199 58.100 -0.565 0.000 1.107 95 Y CB -0.822 37.091 38.460 -0.912 0.000 1.033 95 Y HN -0.029 nan 8.280 nan 0.000 0.502 96 H N -1.336 117.740 119.070 0.011 0.000 2.662 96 H HA 0.379 4.935 4.556 0.000 0.000 0.268 96 H C 1.261 176.668 175.328 0.132 0.000 1.152 96 H CA 0.221 56.280 56.048 0.017 0.000 1.072 96 H CB 0.389 30.103 29.762 -0.081 0.000 1.660 96 H HN 0.382 nan 8.280 nan 0.000 0.584 97 G N 0.342 109.270 108.800 0.214 0.000 2.179 97 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 97 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 97 G C -0.369 174.672 174.900 0.235 0.000 1.010 97 G CA -0.167 45.058 45.100 0.209 0.000 0.736 97 G HN 0.260 nan 8.290 nan 0.000 0.513 98 W N 0.856 122.112 121.300 -0.074 0.000 2.322 98 W HA 0.503 5.163 4.660 -0.000 0.000 0.328 98 W C 0.784 177.101 176.519 -0.337 0.000 1.395 98 W CA 0.347 57.538 57.345 -0.257 0.000 1.267 98 W CB 0.390 29.689 29.460 -0.268 0.000 1.259 98 W HN 0.062 nan 8.180 nan 0.000 0.560 99 T N 5.129 119.512 114.554 -0.285 0.000 2.770 99 T HA 0.455 4.804 4.350 -0.000 0.000 0.283 99 T C -1.088 173.394 174.700 -0.362 0.000 0.988 99 T CA -0.411 61.568 62.100 -0.203 0.000 0.957 99 T CB 0.442 69.271 68.868 -0.065 0.000 0.930 99 T HN 0.027 nan 8.240 nan 0.000 0.443 100 Y N 0.904 121.167 120.300 -0.062 0.000 2.468 100 Y HA 0.572 5.122 4.550 -0.000 0.000 0.342 100 Y C 0.799 176.586 175.900 -0.188 0.000 1.021 100 Y CA -1.462 56.575 58.100 -0.106 0.000 1.079 100 Y CB 1.271 39.660 38.460 -0.118 0.000 1.226 100 Y HN 0.331 nan 8.280 nan 0.000 0.460 101 R N 0.805 121.325 120.500 0.034 0.000 2.441 101 R HA 0.072 4.412 4.340 -0.000 0.000 0.284 101 R C -0.110 176.165 176.300 -0.043 0.000 1.070 101 R CA -0.236 55.858 56.100 -0.011 0.000 1.047 101 R CB 0.709 31.024 30.300 0.025 0.000 1.016 101 R HN 0.898 nan 8.270 nan 0.000 0.477 102 W N 1.242 122.526 121.300 -0.028 0.000 2.388 102 W HA -0.167 4.493 4.660 0.000 0.000 0.294 102 W C 1.958 178.329 176.519 -0.246 0.000 1.212 102 W CA 1.158 58.452 57.345 -0.085 0.000 1.271 102 W CB -0.057 29.345 29.460 -0.096 0.000 1.126 102 W HN 0.710 nan 8.180 nan 0.000 0.535 103 D N 0.110 120.400 120.400 -0.183 0.000 2.178 103 D HA -0.178 4.462 4.640 -0.000 0.000 0.202 103 D C 1.096 177.407 176.300 0.019 0.000 0.974 103 D CA 1.752 55.595 54.000 -0.262 0.000 0.841 103 D CB -1.001 39.667 40.800 -0.220 0.000 0.953 103 D HN 0.328 nan 8.370 nan 0.000 0.478 104 N N -2.046 116.677 118.700 0.037 0.000 2.143 104 N HA 0.174 4.914 4.740 -0.000 0.000 0.229 104 N C 1.470 177.022 175.510 0.069 0.000 1.294 104 N CA 0.291 53.378 53.050 0.061 0.000 0.883 104 N CB 0.334 38.849 38.487 0.047 0.000 1.148 104 N HN 0.239 nan 8.380 nan 0.000 0.511 105 G N 0.428 109.271 108.800 0.071 0.000 2.196 105 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.268 105 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.268 105 G C -0.082 174.918 174.900 0.165 0.000 0.975 105 G CA 0.438 45.586 45.100 0.080 0.000 0.648 105 G HN 0.386 nan 8.290 nan 0.000 0.538 106 K N 0.011 120.485 120.400 0.123 0.000 2.451 106 K HA 0.215 4.535 4.320 -0.000 0.000 0.280 106 K C 0.430 177.094 176.600 0.108 0.000 1.020 106 K CA -0.565 55.789 56.287 0.112 0.000 1.008 106 K CB 0.855 33.381 32.500 0.043 0.000 0.917 106 K HN 0.279 nan 8.250 nan 0.000 0.478 107 L N 5.918 127.178 121.223 0.063 0.000 2.363 107 L HA 0.034 4.374 4.340 -0.000 0.000 0.286 107 L C 0.626 177.388 176.870 -0.180 0.000 1.106 107 L CA 0.435 55.163 54.840 -0.186 0.000 0.859 107 L CB 0.643 42.590 42.059 -0.187 0.000 1.223 107 L HN 0.454 nan 8.230 nan 0.000 0.446 108 V N 4.391 124.199 119.914 -0.175 0.000 3.644 108 V HA 0.347 4.467 4.120 -0.000 0.000 0.267 108 V C 0.003 176.003 176.094 -0.157 0.000 1.277 108 V CA 0.583 62.805 62.300 -0.130 0.000 1.096 108 V CB -0.142 31.638 31.823 -0.071 0.000 0.828 108 V HN 0.883 nan 8.190 nan 0.000 0.446 109 D N -0.649 119.621 120.400 -0.217 0.000 2.648 109 D HA 0.420 5.060 4.640 -0.000 0.000 0.244 109 D C -1.216 174.915 176.300 -0.282 0.000 1.244 109 D CA -0.295 53.582 54.000 -0.205 0.000 0.772 109 D CB 2.360 43.089 40.800 -0.118 0.000 1.379 109 D HN 0.026 nan 8.370 nan 0.000 0.428 110 I N 2.547 122.959 120.570 -0.263 0.000 2.542 110 I HA 0.044 4.214 4.170 -0.000 0.000 0.278 110 I C 0.898 176.937 176.117 -0.131 0.000 1.069 110 I CA -0.524 60.611 61.300 -0.276 0.000 1.100 110 I CB 1.800 39.510 38.000 -0.485 0.000 1.204 110 I HN 0.170 nan 8.210 nan 0.000 0.470 111 L N 3.939 125.128 121.223 -0.057 0.000 2.129 111 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 111 L C 2.583 179.438 176.870 -0.025 0.000 1.087 111 L CA 2.199 57.016 54.840 -0.039 0.000 0.757 111 L CB -1.224 40.819 42.059 -0.027 0.000 0.896 111 L HN 0.714 nan 8.230 nan 0.000 0.434 112 T N -4.515 110.044 114.554 0.008 0.000 3.100 112 T HA 0.066 4.416 4.350 -0.000 0.000 0.253 112 T C 0.819 175.514 174.700 -0.009 0.000 1.118 112 T CA 0.331 62.445 62.100 0.023 0.000 1.058 112 T CB -0.175 68.746 68.868 0.089 0.000 0.953 112 T HN 0.211 nan 8.240 nan 0.000 0.515 113 N N 0.810 119.479 118.700 -0.051 0.000 2.976 113 N HA 0.295 5.035 4.740 -0.000 0.000 0.220 113 N C -2.927 172.517 175.510 -0.109 0.000 1.428 113 N CA -1.535 51.472 53.050 -0.072 0.000 0.748 113 N CB 1.314 39.756 38.487 -0.075 0.000 1.484 113 N HN -0.140 nan 8.380 nan 0.000 0.578 114 P HA -0.083 nan 4.420 nan 0.000 0.223 114 P C 0.893 178.131 177.300 -0.104 0.000 1.144 114 P CA 1.440 64.480 63.100 -0.100 0.000 0.783 114 P CB 0.220 31.877 31.700 -0.072 0.000 0.771 115 T N -6.139 108.359 114.554 -0.093 0.000 3.086 115 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 115 T C 0.808 175.445 174.700 -0.104 0.000 1.074 115 T CA -0.334 61.714 62.100 -0.087 0.000 0.988 115 T CB -0.655 68.175 68.868 -0.064 0.000 0.988 115 T HN -0.073 nan 8.240 nan 0.000 0.530 116 S N 0.720 116.337 115.700 -0.138 0.000 2.558 116 S HA 0.102 4.572 4.470 -0.000 0.000 0.293 116 S C 1.381 175.886 174.600 -0.159 0.000 1.292 116 S CA -0.517 57.587 58.200 -0.160 0.000 1.063 116 S CB 0.459 63.513 63.200 -0.244 0.000 0.831 116 S HN 0.261 nan 8.310 nan 0.000 0.499 117 V N 5.461 125.302 119.914 -0.122 0.000 3.141 117 V HA -0.061 4.059 4.120 -0.000 0.000 0.265 117 V C 2.256 178.275 176.094 -0.124 0.000 1.126 117 V CA 1.148 63.386 62.300 -0.105 0.000 1.141 117 V CB -0.607 31.175 31.823 -0.067 0.000 0.743 117 V HN 0.747 nan 8.190 nan 0.000 0.492 118 Q N -0.215 119.487 119.800 -0.164 0.000 2.230 118 Q HA 0.112 4.452 4.340 -0.000 0.000 0.202 118 Q C 1.021 176.885 176.000 -0.227 0.000 0.963 118 Q CA 0.494 56.203 55.803 -0.156 0.000 0.866 118 Q CB -0.163 28.406 28.738 -0.282 0.000 0.931 118 Q HN 0.512 nan 8.270 nan 0.000 0.452 119 I N 1.024 121.417 120.570 -0.296 0.000 2.821 119 I HA -0.125 4.045 4.170 -0.000 0.000 0.294 119 I C 1.359 177.360 176.117 -0.193 0.000 1.210 119 I CA 1.205 62.338 61.300 -0.278 0.000 1.430 119 I CB 0.039 37.891 38.000 -0.247 0.000 1.356 119 I HN 0.429 nan 8.210 nan 0.000 0.563 120 G N 5.363 114.061 108.800 -0.170 0.000 2.184 120 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 120 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 120 G C 1.089 175.899 174.900 -0.149 0.000 0.975 120 G CA -0.133 44.890 45.100 -0.128 0.000 0.642 120 G HN 0.619 nan 8.290 nan 0.000 0.536 121 R N 0.205 120.570 120.500 -0.226 0.000 2.334 121 R HA 0.226 4.566 4.340 -0.000 0.000 0.216 121 R C 0.449 176.366 176.300 -0.639 0.000 0.905 121 R CA 0.473 56.324 56.100 -0.416 0.000 1.064 121 R CB 0.200 30.184 30.300 -0.527 0.000 1.046 121 R HN 0.657 nan 8.270 nan 0.000 0.508 122 H N -1.030 118.032 119.070 -0.013 0.000 2.977 122 H HA 0.696 5.252 4.556 -0.000 0.000 0.350 122 H C -0.978 174.406 175.328 0.094 0.000 1.238 122 H CA -0.978 55.106 56.048 0.060 0.000 1.124 122 H CB 2.337 32.176 29.762 0.128 0.000 1.866 122 H HN 0.005 nan 8.280 nan 0.000 0.550 123 A N 1.487 124.469 122.820 0.270 0.000 2.566 123 A HA 0.415 4.735 4.320 -0.000 0.000 0.297 123 A C -1.489 176.195 177.584 0.166 0.000 1.059 123 A CA -0.602 51.562 52.037 0.212 0.000 0.691 123 A CB 1.542 20.612 19.000 0.117 0.000 1.282 123 A HN 0.291 nan 8.150 nan 0.000 0.401 124 L N 1.494 122.783 121.223 0.111 0.000 2.452 124 L HA 0.322 4.662 4.340 -0.000 0.000 0.267 124 L C 0.972 177.848 176.870 0.009 0.000 1.188 124 L CA 0.302 55.127 54.840 -0.026 0.000 0.821 124 L CB 0.572 42.501 42.059 -0.217 0.000 1.102 124 L HN 0.805 nan 8.230 nan 0.000 0.470 125 K N 1.022 121.420 120.400 -0.004 0.000 2.382 125 K HA 0.264 4.584 4.320 -0.000 0.000 0.275 125 K C -0.449 176.146 176.600 -0.008 0.000 1.009 125 K CA -0.231 56.030 56.287 -0.043 0.000 0.970 125 K CB 0.507 32.941 32.500 -0.111 0.000 0.934 125 K HN 0.812 nan 8.250 nan 0.000 0.479 126 T N 0.616 115.150 114.554 -0.034 0.000 2.918 126 T HA 0.391 4.741 4.350 -0.000 0.000 0.286 126 T C -0.977 173.719 174.700 -0.006 0.000 1.026 126 T CA -0.750 61.409 62.100 0.098 0.000 1.031 126 T CB 0.677 69.622 68.868 0.128 0.000 1.046 126 T HN 0.401 nan 8.240 nan 0.000 0.479 127 Y N 0.865 121.241 120.300 0.126 0.000 2.364 127 Y HA 0.502 5.052 4.550 -0.000 0.000 0.340 127 Y C -2.384 173.608 175.900 0.154 0.000 0.975 127 Y CA -2.583 55.591 58.100 0.124 0.000 1.089 127 Y CB 1.436 39.966 38.460 0.117 0.000 1.192 127 Y HN 0.511 nan 8.280 nan 0.000 0.454 128 P HA 0.094 nan 4.420 nan 0.000 0.266 128 P C -0.973 176.578 177.300 0.418 0.000 1.195 128 P CA 0.101 63.348 63.100 0.244 0.000 0.768 128 P CB 0.693 32.424 31.700 0.052 0.000 0.838 129 V N 4.840 125.011 119.914 0.429 0.000 2.823 129 V HA 0.564 4.684 4.120 -0.000 0.000 0.312 129 V C 0.093 176.377 176.094 0.316 0.000 1.072 129 V CA -0.617 61.934 62.300 0.418 0.000 0.937 129 V CB 2.247 34.198 31.823 0.214 0.000 1.013 129 V HN 0.460 nan 8.190 nan 0.000 0.430 130 R N 2.086 122.724 120.500 0.230 0.000 2.564 130 R HA 0.481 4.821 4.340 -0.000 0.000 0.284 130 R C -1.250 175.096 176.300 0.077 0.000 1.031 130 R CA -0.681 55.399 56.100 -0.033 0.000 0.904 130 R CB 2.852 32.852 30.300 -0.501 0.000 1.199 130 R HN 0.843 nan 8.270 nan 0.000 0.443 131 E N 2.768 122.980 120.200 0.020 0.000 2.145 131 E HA 0.199 4.549 4.350 -0.000 0.000 0.262 131 E C -1.048 175.564 176.600 0.020 0.000 0.883 131 E CA -0.405 56.025 56.400 0.051 0.000 0.748 131 E CB 1.095 30.793 29.700 -0.003 0.000 1.140 131 E HN 0.330 nan 8.360 nan 0.000 0.417 132 E N 3.146 123.406 120.200 0.100 0.000 2.356 132 E HA 0.218 4.567 4.350 -0.000 0.000 0.275 132 E C -0.739 175.897 176.600 0.059 0.000 0.904 132 E CA -0.911 55.504 56.400 0.027 0.000 0.757 132 E CB 1.613 31.286 29.700 -0.044 0.000 1.232 132 E HN 0.403 nan 8.360 nan 0.000 0.442 133 K N 0.451 120.798 120.400 -0.088 0.000 3.071 133 K HA -0.235 4.085 4.320 -0.000 0.000 0.262 133 K C 0.683 177.225 176.600 -0.097 0.000 0.977 133 K CA 1.087 57.271 56.287 -0.172 0.000 0.721 133 K CB -2.006 30.254 32.500 -0.400 0.000 1.293 133 K HN 1.083 nan 8.250 nan 0.000 0.475 134 G N -0.787 107.966 108.800 -0.079 0.000 2.153 134 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.252 134 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.252 134 G C 0.031 174.889 174.900 -0.069 0.000 0.994 134 G CA 0.593 45.648 45.100 -0.075 0.000 0.698 134 G HN 0.311 nan 8.290 nan 0.000 0.521 135 L N -0.649 120.538 121.223 -0.060 0.000 2.370 135 L HA 0.744 5.084 4.340 -0.000 0.000 0.266 135 L C 0.024 176.799 176.870 -0.158 0.000 1.002 135 L CA -1.330 53.393 54.840 -0.194 0.000 0.818 135 L CB 2.392 44.192 42.059 -0.431 0.000 1.325 135 L HN 0.030 nan 8.230 nan 0.000 0.418 136 V N 2.799 122.575 119.914 -0.229 0.000 2.350 136 V HA 0.469 4.589 4.120 -0.000 0.000 0.276 136 V C -0.860 175.138 176.094 -0.160 0.000 1.028 136 V CA -0.083 62.158 62.300 -0.098 0.000 0.860 136 V CB 0.744 32.525 31.823 -0.069 0.000 0.990 136 V HN 0.444 nan 8.190 nan 0.000 0.453 137 F N 6.479 126.441 119.950 0.020 0.000 2.422 137 F HA 0.641 5.168 4.527 -0.000 0.000 0.333 137 F C 0.191 176.215 175.800 0.373 0.000 1.095 137 F CA -0.587 57.502 58.000 0.149 0.000 1.038 137 F CB 1.671 40.740 39.000 0.115 0.000 1.156 137 F HN 0.264 nan 8.300 nan 0.000 0.483 138 L N 3.367 124.938 121.223 0.580 0.000 2.365 138 L HA 0.426 4.766 4.340 -0.000 0.000 0.273 138 L C -1.086 176.028 176.870 0.407 0.000 1.000 138 L CA -0.896 54.225 54.840 0.469 0.000 0.819 138 L CB 2.092 44.276 42.059 0.207 0.000 1.284 138 L HN 0.475 nan 8.230 nan 0.000 0.418 139 F N 3.191 123.075 119.950 -0.109 0.000 2.405 139 F HA 0.463 4.990 4.527 -0.000 0.000 0.355 139 F C -0.310 175.448 175.800 -0.070 0.000 1.121 139 F CA -0.475 57.191 58.000 -0.556 0.000 1.112 139 F CB 1.204 39.413 39.000 -1.318 0.000 1.126 139 F HN 0.022 nan 8.300 nan 0.000 0.481 140 V N 6.615 126.257 119.914 -0.454 0.000 2.328 140 V HA 0.853 4.973 4.120 -0.000 0.000 0.278 140 V C 0.237 176.059 176.094 -0.453 0.000 1.021 140 V CA 0.112 62.312 62.300 -0.166 0.000 0.838 140 V CB 0.335 32.170 31.823 0.020 0.000 0.999 140 V HN 1.079 nan 8.190 nan 0.000 0.447 141 G N 3.427 112.077 108.800 -0.249 0.000 2.315 141 G HA2 0.275 4.235 3.960 -0.000 0.000 0.294 141 G HA3 0.275 4.235 3.960 -0.000 0.000 0.294 141 G C -0.686 174.239 174.900 0.041 0.000 1.300 141 G CA -0.278 44.740 45.100 -0.136 0.000 0.843 141 G HN 0.387 nan 8.290 nan 0.000 0.527 142 D N -0.244 120.203 120.400 0.079 0.000 2.449 142 D HA 0.070 4.710 4.640 -0.000 0.000 0.210 142 D C 1.062 177.410 176.300 0.080 0.000 1.094 142 D CA 0.389 54.424 54.000 0.059 0.000 0.846 142 D CB 0.963 41.780 40.800 0.028 0.000 1.003 142 D HN 0.642 nan 8.370 nan 0.000 0.504 143 Q N 0.711 120.597 119.800 0.143 0.000 2.180 143 Q HA 0.319 4.659 4.340 -0.000 0.000 0.241 143 Q C -0.070 175.930 176.000 0.000 0.000 0.970 143 Q CA -0.724 55.129 55.803 0.084 0.000 0.919 143 Q CB 1.457 30.254 28.738 0.099 0.000 1.222 143 Q HN -0.257 nan 8.270 nan 0.000 0.482 144 E N 1.798 121.957 120.200 -0.069 0.000 2.415 144 E HA 0.122 4.472 4.350 -0.000 0.000 0.263 144 E C -2.112 174.257 176.600 -0.385 0.000 0.995 144 E CA -1.324 54.966 56.400 -0.183 0.000 0.915 144 E CB 0.236 29.879 29.700 -0.094 0.000 0.951 144 E HN 0.423 nan 8.360 nan 0.000 0.449 145 P HA 0.007 nan 4.420 nan 0.000 0.268 145 P C -0.116 176.934 177.300 -0.418 0.000 1.204 145 P CA 0.259 62.630 63.100 -1.215 0.000 0.768 145 P CB 0.412 31.407 31.700 -1.175 0.000 0.842 146 H N 0.535 119.561 119.070 -0.074 0.000 2.490 146 H HA 0.320 4.876 4.556 -0.000 0.000 0.354 146 H C -0.055 175.411 175.328 0.229 0.000 1.365 146 H CA -0.660 55.440 56.048 0.087 0.000 1.413 146 H CB 0.315 30.148 29.762 0.118 0.000 1.631 146 H HN 0.328 nan 8.280 nan 0.000 0.607 147 D N 0.169 120.717 120.400 0.247 0.000 2.443 147 D HA -0.086 4.554 4.640 -0.000 0.000 0.239 147 D C 1.244 177.575 176.300 0.052 0.000 1.136 147 D CA -0.258 53.795 54.000 0.089 0.000 0.879 147 D CB 1.219 42.042 40.800 0.039 0.000 1.195 147 D HN 0.422 nan 8.370 nan 0.000 0.443 148 L N 5.033 126.048 121.223 -0.346 0.000 2.127 148 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 148 L C 2.162 178.873 176.870 -0.265 0.000 1.089 148 L CA 2.281 56.721 54.840 -0.667 0.000 0.757 148 L CB -0.803 40.645 42.059 -1.018 0.000 0.899 148 L HN 0.564 nan 8.230 nan 0.000 0.434 149 A N -0.880 121.838 122.820 -0.170 0.000 2.032 149 A HA -0.251 4.069 4.320 -0.000 0.000 0.221 149 A C 2.148 179.717 177.584 -0.026 0.000 1.165 149 A CA 1.938 53.916 52.037 -0.098 0.000 0.645 149 A CB -0.623 18.328 19.000 -0.081 0.000 0.807 149 A HN 0.665 nan 8.150 nan 0.000 0.453 150 E N -0.635 119.613 120.200 0.081 0.000 2.347 150 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 150 E C 0.199 176.908 176.600 0.182 0.000 1.008 150 E CA 0.748 57.225 56.400 0.128 0.000 0.852 150 E CB 0.010 29.816 29.700 0.176 0.000 0.783 150 E HN 0.508 nan 8.360 nan 0.000 0.505 151 D N 0.330 120.866 120.400 0.226 0.000 2.462 151 D HA 0.048 4.688 4.640 -0.000 0.000 0.221 151 D C -0.059 176.341 176.300 0.167 0.000 1.173 151 D CA 0.163 54.325 54.000 0.270 0.000 0.831 151 D CB 0.985 42.063 40.800 0.463 0.000 1.001 151 D HN -0.002 nan 8.370 nan 0.000 0.499 152 V N -2.729 117.202 119.914 0.028 0.000 3.040 152 V HA 0.701 4.821 4.120 -0.000 0.000 0.312 152 V C -2.960 172.980 176.094 -0.258 0.000 1.115 152 V CA -2.626 59.648 62.300 -0.042 0.000 0.998 152 V CB 2.329 34.155 31.823 0.004 0.000 1.042 152 V HN -0.317 nan 8.190 nan 0.000 0.433 153 P HA 0.323 nan 4.420 nan 0.000 0.269 153 P C -2.756 174.275 177.300 -0.448 0.000 1.215 153 P CA -0.980 61.704 63.100 -0.693 0.000 0.780 153 P CB -0.416 31.150 31.700 -0.224 0.000 0.898 154 P HA 0.021 nan 4.420 nan 0.000 0.264 154 P C 1.038 178.323 177.300 -0.026 0.000 1.183 154 P CA 1.446 64.374 63.100 -0.287 0.000 0.763 154 P CB 0.010 31.553 31.700 -0.262 0.000 0.807 155 G N 2.337 111.135 108.800 -0.003 0.000 2.234 155 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.260 155 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.260 155 G C 0.891 175.822 174.900 0.052 0.000 0.987 155 G CA 0.262 45.395 45.100 0.055 0.000 0.625 155 G HN 0.506 nan 8.290 nan 0.000 0.532 156 F N 1.192 121.054 119.950 -0.147 0.000 2.202 156 F HA 0.197 4.724 4.527 0.000 0.000 0.301 156 F C 2.122 177.777 175.800 -0.242 0.000 1.082 156 F CA 1.986 59.753 58.000 -0.388 0.000 1.313 156 F CB -0.024 38.662 39.000 -0.522 0.000 1.024 156 F HN 0.210 nan 8.300 nan 0.000 0.495 157 L N -0.045 121.069 121.223 -0.182 0.000 2.653 157 L HA 0.105 4.445 4.340 -0.000 0.000 0.231 157 L C -0.230 176.527 176.870 -0.190 0.000 1.153 157 L CA -0.375 54.327 54.840 -0.231 0.000 0.933 157 L CB -0.750 41.227 42.059 -0.138 0.000 1.175 157 L HN -0.161 nan 8.230 nan 0.000 0.473 158 D N 1.073 121.375 120.400 -0.162 0.000 2.493 158 D HA 0.033 4.673 4.640 -0.000 0.000 0.240 158 D C 1.195 177.418 176.300 -0.130 0.000 1.142 158 D CA 0.392 54.324 54.000 -0.113 0.000 0.872 158 D CB 1.627 42.382 40.800 -0.074 0.000 1.173 158 D HN 0.119 nan 8.370 nan 0.000 0.467 159 A N 3.488 126.247 122.820 -0.101 0.000 1.986 159 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 159 A C 1.574 179.105 177.584 -0.088 0.000 1.171 159 A CA 1.773 53.753 52.037 -0.094 0.000 0.640 159 A CB -0.215 18.743 19.000 -0.071 0.000 0.811 159 A HN 0.692 nan 8.150 nan 0.000 0.451 160 D N -1.026 119.329 120.400 -0.076 0.000 2.340 160 D HA 0.026 4.666 4.640 -0.000 0.000 0.220 160 D C 0.543 176.797 176.300 -0.077 0.000 1.039 160 D CA -0.069 53.893 54.000 -0.064 0.000 0.866 160 D CB -0.368 40.403 40.800 -0.048 0.000 0.913 160 D HN 0.382 nan 8.370 nan 0.000 0.523 161 L N 1.522 122.681 121.223 -0.106 0.000 2.315 161 L HA 0.373 4.713 4.340 -0.000 0.000 0.283 161 L C -0.014 176.777 176.870 -0.132 0.000 1.089 161 L CA -0.383 54.385 54.840 -0.119 0.000 0.833 161 L CB 0.874 42.840 42.059 -0.155 0.000 1.170 161 L HN -0.004 nan 8.230 nan 0.000 0.442 162 A N 5.550 128.327 122.820 -0.072 0.000 2.328 162 A HA 0.613 4.933 4.320 -0.000 0.000 0.284 162 A C -0.566 177.033 177.584 0.024 0.000 1.160 162 A CA -0.375 51.654 52.037 -0.013 0.000 0.818 162 A CB 0.934 20.048 19.000 0.190 0.000 1.087 162 A HN 0.489 nan 8.150 nan 0.000 0.504 163 V N 4.320 124.089 119.914 -0.243 0.000 2.735 163 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 163 V C -0.578 175.088 176.094 -0.713 0.000 1.061 163 V CA -0.634 61.516 62.300 -0.250 0.000 0.913 163 V CB 1.866 33.556 31.823 -0.222 0.000 1.005 163 V HN 1.003 nan 8.190 nan 0.000 0.428 164 H N 1.429 120.345 119.070 -0.257 0.000 2.980 164 H HA 0.848 5.403 4.556 -0.000 0.000 0.367 164 H C 0.015 175.005 175.328 -0.565 0.000 1.206 164 H CA -0.060 55.558 56.048 -0.717 0.000 1.126 164 H CB 2.566 31.340 29.762 -1.647 0.000 1.838 164 H HN 0.977 nan 8.280 nan 0.000 0.552 165 G N 0.034 108.693 108.800 -0.235 0.000 2.488 165 G HA2 0.487 4.447 3.960 -0.000 0.000 0.301 165 G HA3 0.487 4.447 3.960 -0.000 0.000 0.301 165 G C -1.821 173.227 174.900 0.247 0.000 1.339 165 G CA -0.859 44.363 45.100 0.204 0.000 0.803 165 G HN 0.665 nan 8.290 nan 0.000 0.482 166 Q N -1.495 118.417 119.800 0.186 0.000 2.511 166 Q HA 0.750 5.090 4.340 -0.000 0.000 0.289 166 Q C -1.333 174.656 176.000 -0.019 0.000 1.021 166 Q CA -1.116 54.694 55.803 0.011 0.000 0.785 166 Q CB 2.276 31.038 28.738 0.040 0.000 1.472 166 Q HN 1.011 nan 8.270 nan 0.000 0.411 167 H N -1.436 117.640 119.070 0.011 0.000 2.985 167 H HA 0.854 5.410 4.556 0.000 0.000 0.360 167 H C -1.243 174.102 175.328 0.028 0.000 1.221 167 H CA -0.993 55.050 56.048 -0.008 0.000 1.121 167 H CB 1.650 31.408 29.762 -0.007 0.000 1.854 167 H HN 1.005 nan 8.280 nan 0.000 0.551 168 R N 0.406 121.070 120.500 0.273 0.000 2.710 168 R HA 0.637 4.977 4.340 -0.000 0.000 0.270 168 R C -1.846 174.569 176.300 0.191 0.000 1.021 168 R CA -1.190 55.041 56.100 0.218 0.000 0.889 168 R CB 1.813 32.223 30.300 0.183 0.000 1.243 168 R HN 0.557 nan 8.270 nan 0.000 0.464 169 V N 2.391 122.384 119.914 0.131 0.000 2.432 169 V HA 0.491 4.611 4.120 -0.000 0.000 0.275 169 V C -0.824 175.298 176.094 0.046 0.000 1.043 169 V CA -0.350 61.997 62.300 0.079 0.000 0.925 169 V CB 1.433 33.298 31.823 0.070 0.000 0.985 169 V HN 0.575 nan 8.190 nan 0.000 0.466 170 V N 6.118 125.976 119.914 -0.094 0.000 2.435 170 V HA 0.420 4.540 4.120 -0.000 0.000 0.290 170 V C -0.081 175.966 176.094 -0.077 0.000 1.030 170 V CA -0.659 61.549 62.300 -0.153 0.000 0.881 170 V CB 1.770 33.334 31.823 -0.433 0.000 0.983 170 V HN 0.884 nan 8.190 nan 0.000 0.445 171 D N 4.644 125.038 120.400 -0.009 0.000 2.767 171 D HA 0.494 5.134 4.640 -0.000 0.000 0.231 171 D C 0.216 176.451 176.300 -0.108 0.000 1.105 171 D CA 0.564 54.514 54.000 -0.084 0.000 1.024 171 D CB 0.451 41.231 40.800 -0.032 0.000 1.123 171 D HN 0.725 nan 8.370 nan 0.000 0.470 172 A N 0.990 123.793 122.820 -0.029 0.000 2.608 172 A HA 0.293 4.613 4.320 -0.000 0.000 0.292 172 A C -0.232 177.479 177.584 0.210 0.000 1.066 172 A CA -0.903 51.169 52.037 0.060 0.000 0.676 172 A CB 1.270 20.333 19.000 0.105 0.000 1.277 172 A HN 0.192 nan 8.150 nan 0.000 0.413 173 N N 1.352 120.102 118.700 0.082 0.000 2.374 173 N HA -0.033 4.707 4.740 -0.000 0.000 0.241 173 N C 1.447 176.947 175.510 -0.017 0.000 1.262 173 N CA 0.465 53.560 53.050 0.074 0.000 0.880 173 N CB 0.399 38.856 38.487 -0.050 0.000 1.105 173 N HN 0.882 nan 8.380 nan 0.000 0.438 174 W N 4.901 126.158 121.300 -0.072 0.000 2.350 174 W HA -0.138 4.522 4.660 -0.000 0.000 0.289 174 W C 1.136 177.468 176.519 -0.312 0.000 1.215 174 W CA 0.334 57.511 57.345 -0.282 0.000 1.236 174 W CB -0.701 28.739 29.460 -0.035 0.000 1.130 174 W HN 0.585 nan 8.180 nan 0.000 0.541 175 R N -0.088 119.664 120.500 -1.246 0.000 2.148 175 R HA -0.112 4.228 4.340 -0.000 0.000 0.227 175 R C 2.431 178.388 176.300 -0.573 0.000 1.103 175 R CA 1.684 57.121 56.100 -1.105 0.000 0.983 175 R CB -0.332 29.334 30.300 -1.056 0.000 0.874 175 R HN 0.080 nan 8.270 nan 0.000 0.451 176 M N -0.517 118.801 119.600 -0.470 0.000 2.229 176 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 176 M C 2.234 178.278 176.300 -0.427 0.000 1.063 176 M CA 1.391 56.475 55.300 -0.359 0.000 1.114 176 M CB -1.072 31.409 32.600 -0.200 0.000 1.387 176 M HN 0.273 nan 8.290 nan 0.000 0.420 177 G N -0.129 108.304 108.800 -0.611 0.000 2.394 177 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.214 177 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.214 177 G C 1.603 175.708 174.900 -1.324 0.000 1.176 177 G CA 0.823 45.454 45.100 -0.782 0.000 0.786 177 G HN 0.356 nan 8.290 nan 0.000 0.533 178 V N 0.877 120.075 119.914 -1.194 0.000 2.358 178 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 178 V C 2.699 178.439 176.094 -0.590 0.000 1.047 178 V CA 1.791 63.500 62.300 -0.985 0.000 1.035 178 V CB -0.416 31.127 31.823 -0.467 0.000 0.658 178 V HN 0.301 nan 8.190 nan 0.000 0.452 179 E N 0.623 120.576 120.200 -0.413 0.000 2.077 179 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 179 E C 2.178 178.605 176.600 -0.288 0.000 0.989 179 E CA 1.405 57.654 56.400 -0.253 0.000 0.800 179 E CB -0.502 29.061 29.700 -0.227 0.000 0.746 179 E HN 0.747 nan 8.360 nan 0.000 0.452 180 N N 0.694 119.172 118.700 -0.369 0.000 2.106 180 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 180 N C 2.106 177.388 175.510 -0.381 0.000 1.029 180 N CA 1.373 54.187 53.050 -0.394 0.000 0.848 180 N CB -0.117 38.164 38.487 -0.342 0.000 1.007 180 N HN 0.087 nan 8.380 nan 0.000 0.423 181 G N -0.132 108.491 108.800 -0.296 0.000 2.418 181 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 181 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 181 G C 1.023 175.968 174.900 0.074 0.000 1.158 181 G CA 0.271 45.355 45.100 -0.026 0.000 0.771 181 G HN 0.400 nan 8.290 nan 0.000 0.545 182 F N 1.490 121.304 119.950 -0.227 0.000 2.693 182 F HA 0.313 4.840 4.527 -0.000 0.000 0.303 182 F C 0.518 176.252 175.800 -0.110 0.000 1.097 182 F CA -1.479 56.406 58.000 -0.191 0.000 1.330 182 F CB 0.176 38.963 39.000 -0.354 0.000 1.067 182 F HN -0.040 nan 8.300 nan 0.000 0.565 183 D N 1.171 121.492 120.400 -0.132 0.000 2.346 183 D HA 0.053 4.693 4.640 -0.000 0.000 0.267 183 D C 1.449 177.760 176.300 0.017 0.000 1.320 183 D CA 0.543 54.484 54.000 -0.100 0.000 0.951 183 D CB 1.128 41.837 40.800 -0.153 0.000 1.079 183 D HN 0.330 nan 8.370 nan 0.000 0.509 184 A N 3.351 126.047 122.820 -0.206 0.000 1.986 184 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 184 A C 1.585 179.149 177.584 -0.035 0.000 1.171 184 A CA 1.498 53.405 52.037 -0.216 0.000 0.640 184 A CB -0.067 18.733 19.000 -0.333 0.000 0.811 184 A HN 0.574 nan 8.150 nan 0.000 0.451 185 G N -1.249 107.602 108.800 0.085 0.000 4.912 185 G HA2 0.402 4.362 3.960 -0.000 0.000 0.307 185 G HA3 0.402 4.362 3.960 -0.000 0.000 0.307 185 G C 0.359 175.422 174.900 0.272 0.000 1.381 185 G CA 0.492 45.720 45.100 0.213 0.000 1.057 185 G HN 0.737 nan 8.290 nan 0.000 0.593 186 H N -0.462 118.705 119.070 0.162 0.000 2.672 186 H HA 0.034 4.590 4.556 0.000 0.000 0.277 186 H C 1.605 177.030 175.328 0.162 0.000 1.074 186 H CA 0.533 56.664 56.048 0.139 0.000 1.173 186 H CB -0.326 29.474 29.762 0.063 0.000 1.558 186 H HN 0.211 nan 8.280 nan 0.000 0.539 187 V N -1.591 118.284 119.914 -0.065 0.000 2.660 187 V HA -0.251 3.869 4.120 -0.000 0.000 0.257 187 V C 2.171 178.309 176.094 0.072 0.000 1.088 187 V CA 1.555 63.867 62.300 0.021 0.000 1.106 187 V CB -1.681 30.182 31.823 0.066 0.000 0.686 187 V HN 0.259 nan 8.190 nan 0.000 0.481 188 F N 0.840 120.761 119.950 -0.048 0.000 2.202 188 F HA -0.129 4.398 4.527 -0.000 0.000 0.301 188 F C 2.040 177.798 175.800 -0.070 0.000 1.082 188 F CA 2.014 59.986 58.000 -0.048 0.000 1.313 188 F CB -0.114 38.868 39.000 -0.030 0.000 1.024 188 F HN 0.191 nan 8.300 nan 0.000 0.495 189 I N -0.796 119.729 120.570 -0.075 0.000 2.830 189 I HA -0.245 3.925 4.170 -0.000 0.000 0.263 189 I C 1.296 177.158 176.117 -0.425 0.000 1.230 189 I CA 0.922 62.061 61.300 -0.267 0.000 1.480 189 I CB -0.377 37.477 38.000 -0.244 0.000 1.095 189 I HN 0.131 nan 8.210 nan 0.000 0.455 190 H N 0.935 119.884 119.070 -0.201 0.000 2.520 190 H HA 0.079 4.635 4.556 0.000 0.000 0.284 190 H C 1.569 176.813 175.328 -0.140 0.000 1.037 190 H CA 0.132 56.021 56.048 -0.264 0.000 1.168 190 H CB 0.106 29.607 29.762 -0.436 0.000 1.497 190 H HN 0.486 nan 8.280 nan 0.000 0.547 191 K N 0.222 120.556 120.400 -0.110 0.000 2.360 191 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 191 K C 0.848 177.403 176.600 -0.075 0.000 1.046 191 K CA 1.190 57.413 56.287 -0.106 0.000 0.945 191 K CB 0.188 32.539 32.500 -0.249 0.000 0.750 191 K HN -0.115 nan 8.250 nan 0.000 0.464 192 S N 0.698 116.354 115.700 -0.074 0.000 2.593 192 S HA 0.055 4.525 4.470 -0.000 0.000 0.236 192 S C -0.002 174.596 174.600 -0.003 0.000 0.991 192 S CA -0.552 57.622 58.200 -0.044 0.000 0.963 192 S CB 0.713 63.879 63.200 -0.058 0.000 0.865 192 S HN 0.369 nan 8.310 nan 0.000 0.488 193 S N 2.128 117.850 115.700 0.038 0.000 2.549 193 S HA 0.119 4.589 4.470 -0.000 0.000 0.286 193 S C 1.475 176.124 174.600 0.080 0.000 1.314 193 S CA -0.512 57.752 58.200 0.107 0.000 1.062 193 S CB -0.052 63.311 63.200 0.271 0.000 0.865 193 S HN 0.504 nan 8.310 nan 0.000 0.498 194 I N 3.309 123.928 120.570 0.082 0.000 2.850 194 I HA -0.028 4.142 4.170 -0.000 0.000 0.266 194 I C 1.840 177.991 176.117 0.057 0.000 1.257 194 I CA 0.864 62.195 61.300 0.052 0.000 1.465 194 I CB -0.395 37.632 38.000 0.045 0.000 1.091 194 I HN 0.555 nan 8.210 nan 0.000 0.467 195 L N 1.213 122.503 121.223 0.112 0.000 2.141 195 L HA -0.059 4.281 4.340 -0.000 0.000 0.209 195 L C 2.253 179.137 176.870 0.023 0.000 1.094 195 L CA 1.588 56.481 54.840 0.088 0.000 0.763 195 L CB -0.396 41.739 42.059 0.126 0.000 0.908 195 L HN 0.252 nan 8.230 nan 0.000 0.437 196 L N -0.742 120.468 121.223 -0.022 0.000 1.970 196 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 196 L C 2.235 179.054 176.870 -0.085 0.000 1.071 196 L CA 1.765 56.485 54.840 -0.200 0.000 0.751 196 L CB -1.019 40.685 42.059 -0.592 0.000 0.889 196 L HN 0.263 nan 8.230 nan 0.000 0.432 197 D N -0.008 120.371 120.400 -0.036 0.000 2.162 197 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 197 D C 2.150 178.482 176.300 0.055 0.000 0.967 197 D CA 1.359 55.411 54.000 0.086 0.000 0.840 197 D CB -0.285 40.562 40.800 0.078 0.000 0.972 197 D HN 0.340 nan 8.370 nan 0.000 0.482 198 G N 0.471 109.286 108.800 0.025 0.000 2.450 198 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 198 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 198 G C 1.494 176.401 174.900 0.011 0.000 1.130 198 G CA 0.855 45.959 45.100 0.007 0.000 0.760 198 G HN 0.225 nan 8.290 nan 0.000 0.557 199 N N -0.531 118.194 118.700 0.043 0.000 2.241 199 N HA 0.086 4.826 4.740 -0.000 0.000 0.238 199 N C -0.080 175.474 175.510 0.072 0.000 1.244 199 N CA 0.256 53.348 53.050 0.069 0.000 0.880 199 N CB 0.149 38.716 38.487 0.133 0.000 1.179 199 N HN 0.055 nan 8.380 nan 0.000 0.513 200 D N 0.008 120.463 120.400 0.091 0.000 2.697 200 D HA -0.221 4.419 4.640 -0.000 0.000 0.238 200 D C -1.089 175.290 176.300 0.132 0.000 1.152 200 D CA 0.519 54.594 54.000 0.126 0.000 0.666 200 D CB -1.223 39.624 40.800 0.079 0.000 1.037 200 D HN 0.279 nan 8.370 nan 0.000 0.423 201 I N 0.682 121.342 120.570 0.150 0.000 2.428 201 I HA 0.585 4.755 4.170 -0.000 0.000 0.296 201 I C 0.879 177.154 176.117 0.263 0.000 0.985 201 I CA -0.434 60.942 61.300 0.128 0.000 1.260 201 I CB 1.483 39.496 38.000 0.022 0.000 1.389 201 I HN 0.274 nan 8.210 nan 0.000 0.484 202 A N 6.525 129.487 122.820 0.237 0.000 2.354 202 A HA 0.692 5.012 4.320 -0.000 0.000 0.269 202 A C -0.901 176.882 177.584 0.330 0.000 1.109 202 A CA -0.230 52.004 52.037 0.327 0.000 0.800 202 A CB 0.397 19.560 19.000 0.272 0.000 1.045 202 A HN 0.622 nan 8.150 nan 0.000 0.489 203 L N 4.768 126.228 121.223 0.394 0.000 2.568 203 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 203 L C -2.481 174.415 176.870 0.042 0.000 0.980 203 L CA -1.205 53.765 54.840 0.216 0.000 0.882 203 L CB 2.254 44.440 42.059 0.211 0.000 1.198 203 L HN 0.531 nan 8.230 nan 0.000 0.425 204 P HA 0.198 nan 4.420 nan 0.000 0.277 204 P C 0.569 177.609 177.300 -0.433 0.000 1.276 204 P CA -0.264 62.296 63.100 -0.900 0.000 0.788 204 P CB 1.230 32.124 31.700 -1.344 0.000 1.114 205 L N -1.735 119.263 121.223 -0.376 0.000 2.307 205 L HA 0.287 4.627 4.340 -0.000 0.000 0.211 205 L C 1.501 178.273 176.870 -0.163 0.000 1.099 205 L CA 1.009 55.801 54.840 -0.081 0.000 0.816 205 L CB -0.420 41.682 42.059 0.073 0.000 0.952 205 L HN 0.605 nan 8.230 nan 0.000 0.455 206 G N -1.267 107.236 108.800 -0.495 0.000 2.428 206 G HA2 0.435 4.394 3.960 -0.000 0.000 0.305 206 G HA3 0.435 4.394 3.960 -0.000 0.000 0.305 206 G C -1.952 172.349 174.900 -0.998 0.000 1.260 206 G CA -0.554 44.206 45.100 -0.566 0.000 0.853 206 G HN -0.170 nan 8.290 nan 0.000 0.480 207 F N -0.108 119.798 119.950 -0.073 0.000 2.591 207 F HA 0.711 5.238 4.527 -0.000 0.000 0.309 207 F C 0.306 176.061 175.800 -0.075 0.000 1.098 207 F CA -0.655 57.298 58.000 -0.078 0.000 0.937 207 F CB 2.669 41.618 39.000 -0.085 0.000 1.250 207 F HN 0.705 nan 8.300 nan 0.000 0.447 208 A N 3.537 126.436 122.820 0.131 0.000 2.444 208 A HA 0.706 5.026 4.320 -0.000 0.000 0.332 208 A C -2.727 174.894 177.584 0.062 0.000 1.430 208 A CA -1.698 50.376 52.037 0.062 0.000 0.975 208 A CB -0.388 18.642 19.000 0.050 0.000 1.147 208 A HN 0.362 nan 8.150 nan 0.000 0.524 209 P HA 0.212 nan 4.420 nan 0.000 0.267 209 P C 0.899 178.204 177.300 0.008 0.000 1.200 209 P CA 0.366 63.462 63.100 -0.007 0.000 0.772 209 P CB 1.023 32.679 31.700 -0.073 0.000 0.855 210 G N 1.167 109.982 108.800 0.024 0.000 2.714 210 G HA2 0.086 4.046 3.960 -0.000 0.000 0.197 210 G HA3 0.086 4.046 3.960 -0.000 0.000 0.197 210 G C -0.390 174.508 174.900 -0.002 0.000 1.449 210 G CA -0.201 44.919 45.100 0.032 0.000 1.065 210 G HN 0.477 nan 8.290 nan 0.000 0.575 211 D N 0.330 120.723 120.400 -0.011 0.000 2.487 211 D HA 0.082 4.722 4.640 -0.000 0.000 0.243 211 D C -1.230 175.033 176.300 -0.062 0.000 1.154 211 D CA -1.218 52.761 54.000 -0.035 0.000 0.876 211 D CB 1.551 42.326 40.800 -0.042 0.000 1.161 211 D HN -0.166 nan 8.370 nan 0.000 0.478 212 P HA -0.147 nan 4.420 nan 0.000 0.216 212 P C 0.777 178.039 177.300 -0.063 0.000 1.153 212 P CA 1.046 64.117 63.100 -0.049 0.000 0.858 212 P CB 0.275 31.960 31.700 -0.025 0.000 0.789 213 E N -0.646 119.517 120.200 -0.061 0.000 2.472 213 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 213 E C 1.592 178.120 176.600 -0.120 0.000 1.046 213 E CA 0.852 57.213 56.400 -0.066 0.000 0.871 213 E CB -0.395 29.277 29.700 -0.047 0.000 0.806 213 E HN 0.528 nan 8.360 nan 0.000 0.533 214 Q N -0.363 119.320 119.800 -0.196 0.000 2.319 214 Q HA 0.207 4.547 4.340 -0.000 0.000 0.209 214 Q C 1.874 177.608 176.000 -0.443 0.000 0.884 214 Q CA -0.125 55.431 55.803 -0.411 0.000 0.938 214 Q CB 0.514 28.885 28.738 -0.612 0.000 1.098 214 Q HN 0.248 nan 8.270 nan 0.000 0.517 215 L N 0.612 121.711 121.223 -0.207 0.000 2.376 215 L HA 0.023 4.363 4.340 -0.000 0.000 0.219 215 L C 1.123 177.960 176.870 -0.055 0.000 1.133 215 L CA 0.776 55.548 54.840 -0.113 0.000 0.816 215 L CB -0.272 41.730 42.059 -0.094 0.000 0.933 215 L HN 0.178 nan 8.230 nan 0.000 0.449 216 T N -2.570 111.961 114.554 -0.038 0.000 2.816 216 T HA 0.542 4.892 4.350 -0.000 0.000 0.299 216 T C -0.788 173.941 174.700 0.049 0.000 1.230 216 T CA -0.902 61.221 62.100 0.038 0.000 1.007 216 T CB 3.050 71.954 68.868 0.060 0.000 1.289 216 T HN 0.072 nan 8.240 nan 0.000 0.508 217 R N 0.773 121.344 120.500 0.119 0.000 2.533 217 R HA 0.629 4.969 4.340 -0.000 0.000 0.288 217 R C -1.444 174.946 176.300 0.150 0.000 1.039 217 R CA -0.462 55.712 56.100 0.123 0.000 0.909 217 R CB 2.041 32.418 30.300 0.130 0.000 1.195 217 R HN 0.780 nan 8.270 nan 0.000 0.438 218 S N 2.275 118.024 115.700 0.082 0.000 2.509 218 S HA 0.503 4.973 4.470 -0.000 0.000 0.297 218 S C -0.861 173.762 174.600 0.038 0.000 1.118 218 S CA -0.641 57.572 58.200 0.022 0.000 1.074 218 S CB 1.971 65.172 63.200 0.001 0.000 1.038 218 S HN 0.351 nan 8.310 nan 0.000 0.498 219 V N 2.907 122.817 119.914 -0.006 0.000 2.378 219 V HA 0.486 4.606 4.120 -0.000 0.000 0.288 219 V C 0.180 176.232 176.094 -0.070 0.000 1.016 219 V CA -0.758 61.574 62.300 0.052 0.000 0.840 219 V CB 1.318 33.279 31.823 0.231 0.000 0.994 219 V HN 1.029 nan 8.190 nan 0.000 0.431 220 T N 1.067 115.540 114.554 -0.135 0.000 3.427 220 T HA 0.622 4.972 4.350 -0.000 0.000 0.306 220 T C 0.654 175.173 174.700 -0.300 0.000 1.733 220 T CA 0.092 61.959 62.100 -0.388 0.000 1.599 220 T CB 0.365 68.899 68.868 -0.558 0.000 0.964 220 T HN 1.522 nan 8.240 nan 0.000 0.701 221 G N 2.262 110.965 108.800 -0.162 0.000 2.649 221 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.281 221 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.281 221 G C -0.513 174.366 174.900 -0.035 0.000 1.325 221 G CA -0.481 44.573 45.100 -0.077 0.000 0.916 221 G HN 0.697 nan 8.290 nan 0.000 0.562 222 E N 0.416 120.612 120.200 -0.007 0.000 2.250 222 E HA 0.519 4.869 4.350 -0.000 0.000 0.265 222 E C 1.180 177.784 176.600 0.007 0.000 1.033 222 E CA 0.371 56.771 56.400 -0.001 0.000 0.888 222 E CB 0.926 30.635 29.700 0.014 0.000 1.151 222 E HN 2.114 nan 8.360 nan 0.000 0.412 223 G N -0.012 108.793 108.800 0.009 0.000 2.179 223 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 223 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 223 G C 0.193 175.102 174.900 0.015 0.000 0.977 223 G CA 0.432 45.542 45.100 0.016 0.000 0.641 223 G HN 0.780 nan 8.290 nan 0.000 0.533 224 A N -0.252 122.577 122.820 0.014 0.000 2.556 224 A HA 0.916 5.236 4.320 -0.000 0.000 0.294 224 A C -2.665 174.936 177.584 0.028 0.000 1.091 224 A CA -0.928 51.115 52.037 0.010 0.000 0.704 224 A CB 1.786 20.795 19.000 0.015 0.000 1.300 224 A HN 0.266 nan 8.150 nan 0.000 0.406 225 P HA 0.132 nan 4.420 nan 0.000 0.265 225 P C -1.018 176.456 177.300 0.289 0.000 1.187 225 P CA 0.415 63.562 63.100 0.079 0.000 0.766 225 P CB 0.375 31.976 31.700 -0.166 0.000 0.820 226 K N 1.593 122.177 120.400 0.305 0.000 2.206 226 K HA 0.725 5.045 4.320 -0.000 0.000 0.264 226 K C 0.401 177.110 176.600 0.181 0.000 0.967 226 K CA -0.569 55.823 56.287 0.175 0.000 0.844 226 K CB 1.957 34.407 32.500 -0.085 0.000 1.099 226 K HN 0.720 nan 8.250 nan 0.000 0.441 227 G N 0.538 109.206 108.800 -0.220 0.000 2.554 227 G HA2 0.468 4.428 3.960 -0.000 0.000 0.306 227 G HA3 0.468 4.428 3.960 -0.000 0.000 0.306 227 G C -1.714 172.682 174.900 -0.840 0.000 1.320 227 G CA -0.534 44.086 45.100 -0.800 0.000 0.800 227 G HN 0.304 nan 8.290 nan 0.000 0.481 228 V N 0.061 119.392 119.914 -0.973 0.000 2.656 228 V HA 0.628 4.748 4.120 -0.000 0.000 0.307 228 V C -1.221 174.548 176.094 -0.543 0.000 1.051 228 V CA -0.629 61.350 62.300 -0.534 0.000 0.893 228 V CB 1.673 33.377 31.823 -0.198 0.000 0.999 228 V HN 0.544 nan 8.190 nan 0.000 0.426 229 F N 2.218 122.115 119.950 -0.089 0.000 2.420 229 F HA 0.437 4.964 4.527 0.000 0.000 0.342 229 F C 0.349 176.230 175.800 0.135 0.000 1.113 229 F CA -0.538 57.487 58.000 0.041 0.000 1.059 229 F CB 1.312 40.332 39.000 0.033 0.000 1.128 229 F HN 0.532 nan 8.300 nan 0.000 0.475 230 D N 4.595 125.189 120.400 0.324 0.000 2.347 230 D HA 0.221 4.861 4.640 -0.000 0.000 0.235 230 D C -0.027 176.301 176.300 0.048 0.000 1.149 230 D CA -0.011 54.017 54.000 0.047 0.000 0.850 230 D CB 0.616 41.275 40.800 -0.235 0.000 1.061 230 D HN 0.535 nan 8.370 nan 0.000 0.487 231 L N 4.428 125.674 121.223 0.038 0.000 2.872 231 L HA 0.186 4.526 4.340 -0.000 0.000 0.245 231 L C 2.016 178.914 176.870 0.047 0.000 1.211 231 L CA -0.351 54.537 54.840 0.080 0.000 1.013 231 L CB 0.136 42.302 42.059 0.179 0.000 1.326 231 L HN 0.433 nan 8.230 nan 0.000 0.525 232 L N 0.643 121.793 121.223 -0.121 0.000 2.012 232 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 232 L C 2.416 179.108 176.870 -0.297 0.000 1.073 232 L CA 1.978 56.679 54.840 -0.231 0.000 0.748 232 L CB -0.376 41.429 42.059 -0.424 0.000 0.891 232 L HN 0.472 nan 8.230 nan 0.000 0.431 233 G N -0.588 107.992 108.800 -0.367 0.000 2.476 233 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 233 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 233 G C 1.293 176.096 174.900 -0.162 0.000 1.164 233 G CA 0.976 45.898 45.100 -0.295 0.000 0.768 233 G HN 0.512 nan 8.290 nan 0.000 0.560 234 E N -0.250 119.840 120.200 -0.182 0.000 2.204 234 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 234 E C 0.435 176.705 176.600 -0.550 0.000 0.989 234 E CA 0.602 56.795 56.400 -0.345 0.000 0.824 234 E CB -0.006 29.437 29.700 -0.428 0.000 0.756 234 E HN 0.541 nan 8.360 nan 0.000 0.477 235 H N -0.045 118.988 119.070 -0.060 0.000 2.355 235 H HA 0.331 4.887 4.556 0.000 0.000 0.232 235 H C -0.458 174.847 175.328 -0.037 0.000 1.422 235 H CA -0.179 55.844 56.048 -0.041 0.000 1.261 235 H CB 0.195 29.930 29.762 -0.046 0.000 1.595 235 H HN 0.031 nan 8.280 nan 0.000 0.529 236 S N -0.625 115.100 115.700 0.041 0.000 2.627 236 S HA 0.333 4.803 4.470 -0.000 0.000 0.268 236 S C -1.188 173.474 174.600 0.104 0.000 1.130 236 S CA -0.876 57.369 58.200 0.075 0.000 0.819 236 S CB 1.797 65.046 63.200 0.082 0.000 1.100 236 S HN -0.004 nan 8.310 nan 0.000 0.465 237 V N 3.111 123.099 119.914 0.123 0.000 2.347 237 V HA 0.548 4.668 4.120 -0.000 0.000 0.280 237 V C -2.134 174.044 176.094 0.140 0.000 1.021 237 V CA -1.823 60.548 62.300 0.118 0.000 0.847 237 V CB 1.350 33.222 31.823 0.083 0.000 0.990 237 V HN 0.835 nan 8.190 nan 0.000 0.444 238 P HA 0.136 nan 4.420 nan 0.000 0.268 238 P C -0.817 176.414 177.300 -0.116 0.000 1.204 238 P CA -0.007 63.085 63.100 -0.014 0.000 0.768 238 P CB 0.941 32.674 31.700 0.054 0.000 0.842 239 I N 4.226 124.588 120.570 -0.346 0.000 2.306 239 I HA 0.162 4.332 4.170 -0.000 0.000 0.288 239 I C 0.833 176.766 176.117 -0.306 0.000 1.036 239 I CA -0.324 60.849 61.300 -0.213 0.000 1.221 239 I CB -0.047 37.846 38.000 -0.178 0.000 1.385 239 I HN 0.304 nan 8.210 nan 0.000 0.472 240 F N 3.079 123.009 119.950 -0.034 0.000 2.678 240 F HA 0.167 4.694 4.527 0.000 0.000 0.291 240 F C 0.785 176.591 175.800 0.010 0.000 1.123 240 F CA 0.106 58.100 58.000 -0.010 0.000 1.395 240 F CB 0.532 39.530 39.000 -0.005 0.000 1.121 240 F HN 0.340 nan 8.300 nan 0.000 0.592 241 E N 0.389 120.693 120.200 0.174 0.000 2.176 241 E HA 0.625 4.975 4.350 -0.000 0.000 0.267 241 E C -0.680 175.961 176.600 0.069 0.000 0.893 241 E CA -0.357 56.110 56.400 0.112 0.000 0.761 241 E CB 1.658 31.413 29.700 0.091 0.000 1.133 241 E HN 0.079 nan 8.360 nan 0.000 0.409 242 A N 2.358 125.216 122.820 0.065 0.000 2.350 242 A HA 0.822 5.142 4.320 -0.000 0.000 0.324 242 A C -0.339 177.266 177.584 0.036 0.000 1.118 242 A CA -0.659 51.403 52.037 0.041 0.000 0.783 242 A CB 1.107 20.135 19.000 0.047 0.000 1.236 242 A HN 0.599 nan 8.150 nan 0.000 0.457 243 T N -1.061 113.504 114.554 0.020 0.000 2.916 243 T HA 0.772 5.122 4.350 -0.000 0.000 0.292 243 T C -0.665 174.037 174.700 0.004 0.000 1.055 243 T CA -0.515 61.595 62.100 0.016 0.000 1.009 243 T CB 1.119 69.997 68.868 0.016 0.000 1.118 243 T HN 0.457 nan 8.240 nan 0.000 0.497 244 I N 1.507 122.080 120.570 0.005 0.000 2.439 244 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 244 I C 0.015 176.132 176.117 -0.001 0.000 1.021 244 I CA -0.716 60.582 61.300 -0.003 0.000 1.091 244 I CB 1.546 39.544 38.000 -0.003 0.000 1.242 244 I HN 0.931 nan 8.210 nan 0.000 0.439 245 E N 4.552 124.749 120.200 -0.004 0.000 2.297 245 E HA -0.284 4.066 4.350 -0.000 0.000 0.228 245 E C 1.100 177.701 176.600 0.002 0.000 1.213 245 E CA 0.621 57.020 56.400 -0.002 0.000 0.712 245 E CB -1.124 28.574 29.700 -0.004 0.000 1.202 245 E HN 1.218 nan 8.360 nan 0.000 0.376 246 G N -0.845 107.957 108.800 0.004 0.000 2.234 246 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 246 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 246 G C 0.204 175.109 174.900 0.009 0.000 0.987 246 G CA 0.649 45.753 45.100 0.007 0.000 0.625 246 G HN 0.252 nan 8.290 nan 0.000 0.532 247 Q N 0.719 120.524 119.800 0.009 0.000 2.222 247 Q HA 0.491 4.831 4.340 -0.000 0.000 0.252 247 Q C -2.551 173.459 176.000 0.016 0.000 0.926 247 Q CA -2.148 53.662 55.803 0.012 0.000 0.899 247 Q CB 1.230 29.974 28.738 0.010 0.000 1.250 247 Q HN 0.166 nan 8.270 nan 0.000 0.441 248 P HA -0.017 nan 4.420 nan 0.000 0.264 248 P C -0.556 176.762 177.300 0.029 0.000 1.193 248 P CA 0.490 63.606 63.100 0.026 0.000 0.763 248 P CB 0.764 32.479 31.700 0.025 0.000 0.810 249 A N 4.405 127.247 122.820 0.038 0.000 1.995 249 A HA 0.411 4.731 4.320 -0.000 0.000 0.200 249 A C 0.483 178.105 177.584 0.063 0.000 1.566 249 A CA 0.678 52.742 52.037 0.045 0.000 0.895 249 A CB 0.001 19.026 19.000 0.042 0.000 1.046 249 A HN 0.529 nan 8.150 nan 0.000 0.523 250 I N -1.615 119.002 120.570 0.079 0.000 3.021 250 I HA 0.379 4.549 4.170 -0.000 0.000 0.305 250 I C -2.128 174.052 176.117 0.104 0.000 1.434 250 I CA -0.615 60.742 61.300 0.096 0.000 0.969 250 I CB 1.982 40.066 38.000 0.139 0.000 1.328 250 I HN 0.328 nan 8.210 nan 0.000 0.486 251 Q N 1.880 121.744 119.800 0.107 0.000 2.451 251 Q HA 0.546 4.886 4.340 -0.000 0.000 0.281 251 Q C -0.230 175.867 176.000 0.162 0.000 1.099 251 Q CA -0.628 55.254 55.803 0.132 0.000 0.806 251 Q CB 2.351 31.157 28.738 0.113 0.000 1.419 251 Q HN 0.860 nan 8.270 nan 0.000 0.427 252 G N -0.055 108.889 108.800 0.240 0.000 2.485 252 G HA2 0.050 4.010 3.960 -0.000 0.000 0.260 252 G HA3 0.050 4.010 3.960 -0.000 0.000 0.260 252 G C -0.793 174.326 174.900 0.366 0.000 1.459 252 G CA 0.179 45.451 45.100 0.287 0.000 1.060 252 G HN 0.596 nan 8.290 nan 0.000 0.546 253 H N -0.785 118.482 119.070 0.327 0.000 2.771 253 H HA 0.479 5.035 4.556 -0.000 0.000 0.361 253 H C -0.948 174.544 175.328 0.272 0.000 1.108 253 H CA -0.563 55.622 56.048 0.228 0.000 1.201 253 H CB 1.579 31.434 29.762 0.155 0.000 1.681 253 H HN 0.265 nan 8.280 nan 0.000 0.534 254 M N 2.762 122.144 119.600 -0.363 0.000 2.367 254 M HA 0.466 4.946 4.480 -0.000 0.000 0.339 254 M C 0.290 176.422 176.300 -0.281 0.000 1.177 254 M CA -0.369 54.778 55.300 -0.254 0.000 1.068 254 M CB 2.146 34.569 32.600 -0.294 0.000 1.602 254 M HN 0.786 nan 8.290 nan 0.000 0.457 255 G N -0.355 108.426 108.800 -0.031 0.000 2.646 255 G HA2 0.381 4.341 3.960 -0.000 0.000 0.291 255 G HA3 0.381 4.341 3.960 -0.000 0.000 0.291 255 G C -0.117 174.810 174.900 0.044 0.000 1.445 255 G CA -0.360 44.768 45.100 0.047 0.000 0.814 255 G HN 0.720 nan 8.290 nan 0.000 0.495 256 S N -0.736 114.988 115.700 0.039 0.000 2.478 256 S HA 0.172 4.642 4.470 -0.000 0.000 0.222 256 S C 0.727 175.351 174.600 0.040 0.000 1.008 256 S CA 0.330 58.548 58.200 0.029 0.000 0.928 256 S CB -0.000 63.210 63.200 0.018 0.000 0.781 256 S HN 0.417 nan 8.310 nan 0.000 0.518 257 K N 1.868 122.298 120.400 0.050 0.000 2.276 257 K HA 0.339 4.659 4.320 -0.000 0.000 0.285 257 K C -0.670 175.959 176.600 0.048 0.000 1.062 257 K CA -0.174 56.136 56.287 0.038 0.000 0.918 257 K CB 0.698 33.213 32.500 0.026 0.000 1.055 257 K HN 0.239 nan 8.250 nan 0.000 0.477 258 M N 4.271 123.896 119.600 0.043 0.000 2.080 258 M HA 0.206 4.686 4.480 -0.000 0.000 0.350 258 M C -0.105 176.222 176.300 0.045 0.000 1.173 258 M CA -0.719 54.617 55.300 0.060 0.000 1.052 258 M CB 0.520 33.155 32.600 0.059 0.000 1.577 258 M HN 0.407 nan 8.290 nan 0.000 0.455 259 V N 0.427 120.383 119.914 0.070 0.000 3.155 259 V HA 0.975 5.095 4.120 -0.000 0.000 0.313 259 V C 0.619 176.811 176.094 0.163 0.000 1.162 259 V CA -0.709 61.646 62.300 0.091 0.000 1.048 259 V CB 1.413 33.257 31.823 0.034 0.000 1.092 259 V HN 1.064 nan 8.190 nan 0.000 0.447 260 A N 0.592 123.532 122.820 0.200 0.000 2.791 260 A HA -0.177 4.143 4.320 -0.000 0.000 0.292 260 A C 0.779 178.403 177.584 0.065 0.000 1.487 260 A CA 1.306 53.411 52.037 0.113 0.000 0.760 260 A CB -2.391 16.653 19.000 0.074 0.000 1.031 260 A HN 1.152 nan 8.150 nan 0.000 0.503 261 I N -0.562 120.046 120.570 0.063 0.000 2.315 261 I HA -0.056 4.114 4.170 -0.000 0.000 0.248 261 I C 1.350 177.492 176.117 0.042 0.000 1.117 261 I CA 1.754 63.079 61.300 0.041 0.000 1.404 261 I CB 0.066 38.087 38.000 0.035 0.000 1.071 261 I HN 0.616 nan 8.210 nan 0.000 0.419 262 S N 0.837 116.580 115.700 0.071 0.000 2.647 262 S HA 0.610 5.080 4.470 -0.000 0.000 0.300 262 S C -0.736 173.956 174.600 0.153 0.000 1.129 262 S CA -0.631 57.648 58.200 0.131 0.000 1.029 262 S CB 0.671 63.971 63.200 0.167 0.000 1.007 262 S HN 0.083 nan 8.310 nan 0.000 0.484 263 I N 4.099 124.774 120.570 0.176 0.000 2.509 263 I HA 0.576 4.746 4.170 -0.000 0.000 0.293 263 I C -0.267 176.011 176.117 0.269 0.000 1.020 263 I CA -0.518 60.884 61.300 0.169 0.000 1.088 263 I CB 2.304 40.356 38.000 0.087 0.000 1.267 263 I HN 0.740 nan 8.210 nan 0.000 0.430 264 S N 4.634 120.437 115.700 0.172 0.000 2.570 264 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 264 S C -1.339 172.980 174.600 -0.469 0.000 1.149 264 S CA -0.797 57.297 58.200 -0.178 0.000 0.837 264 S CB 2.334 65.214 63.200 -0.532 0.000 1.124 264 S HN 0.418 nan 8.310 nan 0.000 0.465 265 V N 1.637 120.824 119.914 -1.211 0.000 2.735 265 V HA 0.870 4.990 4.120 -0.000 0.000 0.310 265 V C -2.156 173.216 176.094 -1.205 0.000 1.061 265 V CA -0.563 61.076 62.300 -1.102 0.000 0.913 265 V CB 1.589 32.480 31.823 -1.552 0.000 1.005 265 V HN 0.980 nan 8.190 nan 0.000 0.428 266 W N 4.319 125.417 121.300 -0.337 0.000 2.936 266 W HA 0.682 5.342 4.660 -0.000 0.000 0.338 266 W C -0.513 176.039 176.519 0.055 0.000 1.121 266 W CA -0.780 56.492 57.345 -0.123 0.000 1.209 266 W CB 1.428 30.799 29.460 -0.148 0.000 1.420 266 W HN 0.438 nan 8.180 nan 0.000 0.516 267 L N 4.547 125.994 121.223 0.374 0.000 2.483 267 L HA 0.073 4.413 4.340 -0.000 0.000 0.276 267 L C -0.786 176.189 176.870 0.175 0.000 1.213 267 L CA -1.071 53.948 54.840 0.298 0.000 0.843 267 L CB 0.757 42.886 42.059 0.117 0.000 1.107 267 L HN 0.251 nan 8.230 nan 0.000 0.487 268 P HA 0.030 nan 4.420 nan 0.000 0.245 268 P C 0.406 177.996 177.300 0.484 0.000 1.212 268 P CA 0.696 63.839 63.100 0.072 0.000 0.774 268 P CB 0.539 32.084 31.700 -0.259 0.000 0.999 269 G N -0.882 108.151 108.800 0.390 0.000 2.618 269 G HA2 0.128 4.088 3.960 -0.000 0.000 0.234 269 G HA3 0.128 4.088 3.960 -0.000 0.000 0.234 269 G C -1.475 173.514 174.900 0.147 0.000 2.826 269 G CA -0.299 45.028 45.100 0.378 0.000 0.836 269 G HN 0.275 nan 8.290 nan 0.000 0.498 270 V N 1.494 121.344 119.914 -0.107 0.000 2.638 270 V HA 0.874 4.994 4.120 -0.000 0.000 0.306 270 V C -0.479 175.478 176.094 -0.228 0.000 1.052 270 V CA -1.063 60.980 62.300 -0.429 0.000 0.885 270 V CB 1.788 32.986 31.823 -1.042 0.000 0.999 270 V HN 0.709 nan 8.190 nan 0.000 0.424 271 L N 5.877 126.991 121.223 -0.182 0.000 2.357 271 L HA 0.638 4.978 4.340 -0.000 0.000 0.273 271 L C -0.251 176.615 176.870 -0.008 0.000 1.080 271 L CA 0.173 54.993 54.840 -0.033 0.000 0.803 271 L CB 1.340 43.466 42.059 0.112 0.000 1.174 271 L HN 0.799 nan 8.230 nan 0.000 0.443 272 K N 3.590 124.022 120.400 0.054 0.000 2.545 272 K HA 0.574 4.894 4.320 -0.000 0.000 0.252 272 K C -2.053 174.529 176.600 -0.031 0.000 0.948 272 K CA -0.607 55.667 56.287 -0.022 0.000 0.827 272 K CB 1.495 34.082 32.500 0.146 0.000 1.128 272 K HN 0.448 nan 8.250 nan 0.000 0.429 273 V N 3.473 123.308 119.914 -0.132 0.000 2.378 273 V HA 0.310 4.430 4.120 -0.000 0.000 0.288 273 V C -0.950 175.104 176.094 -0.067 0.000 1.016 273 V CA -0.689 61.565 62.300 -0.078 0.000 0.840 273 V CB 1.329 33.054 31.823 -0.163 0.000 0.994 273 V HN 0.788 nan 8.190 nan 0.000 0.431 274 D N 6.552 126.951 120.400 -0.002 0.000 2.788 274 D HA 0.562 5.202 4.640 -0.000 0.000 0.247 274 D C -2.888 173.436 176.300 0.040 0.000 1.236 274 D CA -1.446 52.556 54.000 0.002 0.000 0.898 274 D CB 3.530 44.331 40.800 0.002 0.000 1.401 274 D HN 0.301 nan 8.370 nan 0.000 0.549 275 P HA 0.501 nan 4.420 nan 0.000 0.290 275 P C -1.224 176.118 177.300 0.070 0.000 1.275 275 P CA -0.600 62.502 63.100 0.002 0.000 0.841 275 P CB 1.287 32.967 31.700 -0.034 0.000 1.042 276 F N 2.901 122.741 119.950 -0.182 0.000 2.704 276 F HA 0.289 4.817 4.527 0.000 0.000 0.312 276 F C -2.355 173.282 175.800 -0.273 0.000 1.108 276 F CA -1.673 56.195 58.000 -0.220 0.000 1.005 276 F CB 2.305 41.195 39.000 -0.184 0.000 1.277 276 F HN 0.131 nan 8.300 nan 0.000 0.445 277 P HA 0.099 nan 4.420 nan 0.000 0.256 277 P C -0.921 175.811 177.300 -0.946 0.000 1.384 277 P CA 0.768 62.904 63.100 -1.605 0.000 0.879 277 P CB 0.371 31.369 31.700 -1.171 0.000 1.403 278 D N -0.313 119.682 120.400 -0.674 0.000 2.661 278 D HA 0.199 4.839 4.640 -0.000 0.000 0.228 278 D C -2.388 173.765 176.300 -0.246 0.000 1.210 278 D CA -2.053 51.704 54.000 -0.405 0.000 0.826 278 D CB 2.675 43.201 40.800 -0.457 0.000 1.542 278 D HN -0.348 nan 8.370 nan 0.000 0.447 279 P HA -0.070 nan 4.420 nan 0.000 0.221 279 P C 1.026 178.274 177.300 -0.087 0.000 1.145 279 P CA 1.516 64.569 63.100 -0.078 0.000 0.795 279 P CB 0.100 31.779 31.700 -0.035 0.000 0.775 280 T N -4.658 109.830 114.554 -0.110 0.000 3.188 280 T HA 0.283 4.633 4.350 -0.000 0.000 0.250 280 T C 0.369 174.952 174.700 -0.194 0.000 1.077 280 T CA 0.014 62.044 62.100 -0.116 0.000 0.967 280 T CB -0.581 68.245 68.868 -0.070 0.000 1.006 280 T HN -0.080 nan 8.240 nan 0.000 0.552 281 L N -0.083 121.006 121.223 -0.224 0.000 2.341 281 L HA 0.698 5.038 4.340 -0.000 0.000 0.254 281 L C -0.715 176.063 176.870 -0.152 0.000 1.040 281 L CA -1.112 53.585 54.840 -0.239 0.000 0.837 281 L CB 2.533 44.373 42.059 -0.364 0.000 1.425 281 L HN -0.070 nan 8.230 nan 0.000 0.414 282 T N 0.334 114.823 114.554 -0.109 0.000 2.921 282 T HA 0.350 4.700 4.350 -0.000 0.000 0.297 282 T C -1.108 173.474 174.700 -0.197 0.000 1.013 282 T CA -0.524 61.472 62.100 -0.173 0.000 0.990 282 T CB 2.137 70.875 68.868 -0.217 0.000 1.023 282 T HN 0.499 nan 8.240 nan 0.000 0.447 283 Q N 2.181 121.839 119.800 -0.236 0.000 2.282 283 Q HA 0.669 5.009 4.340 -0.000 0.000 0.260 283 Q C -1.676 174.135 176.000 -0.315 0.000 0.964 283 Q CA -0.688 55.068 55.803 -0.079 0.000 0.880 283 Q CB 0.838 29.659 28.738 0.139 0.000 1.286 283 Q HN 0.568 nan 8.270 nan 0.000 0.445 284 F N 1.860 121.923 119.950 0.188 0.000 2.529 284 F HA 0.435 4.962 4.527 -0.000 0.000 0.320 284 F C -0.272 175.560 175.800 0.052 0.000 1.118 284 F CA -0.686 57.349 58.000 0.058 0.000 0.915 284 F CB 1.955 41.025 39.000 0.117 0.000 1.161 284 F HN 0.427 nan 8.300 nan 0.000 0.445 285 E N 2.889 123.101 120.200 0.020 0.000 2.248 285 E HA 0.299 4.649 4.350 -0.000 0.000 0.267 285 E C -1.431 174.937 176.600 -0.387 0.000 0.877 285 E CA -0.816 55.569 56.400 -0.026 0.000 0.759 285 E CB 2.564 32.306 29.700 0.071 0.000 1.182 285 E HN 0.501 nan 8.360 nan 0.000 0.418 286 W N 1.604 122.704 121.300 -0.333 0.000 2.706 286 W HA 0.347 5.007 4.660 -0.000 0.000 0.346 286 W C -0.865 175.417 176.519 -0.395 0.000 1.071 286 W CA -0.670 56.498 57.345 -0.295 0.000 1.206 286 W CB 1.653 31.080 29.460 -0.054 0.000 1.413 286 W HN 0.604 nan 8.180 nan 0.000 0.542 287 Y N 1.127 121.748 120.300 0.535 0.000 2.662 287 Y HA 0.257 4.807 4.550 0.000 0.000 0.358 287 Y C 0.178 176.347 175.900 0.449 0.000 1.041 287 Y CA -0.753 57.648 58.100 0.501 0.000 1.184 287 Y CB 0.131 38.759 38.460 0.281 0.000 1.114 287 Y HN -0.147 nan 8.280 nan 0.000 0.650 288 V N 3.882 124.075 119.914 0.465 0.000 2.470 288 V HA 0.195 4.315 4.120 -0.000 0.000 0.276 288 V C -2.168 174.020 176.094 0.156 0.000 1.040 288 V CA -2.047 60.394 62.300 0.234 0.000 1.008 288 V CB 0.653 32.559 31.823 0.138 0.000 0.990 288 V HN 0.351 nan 8.190 nan 0.000 0.477 289 P HA 0.229 nan 4.420 nan 0.000 0.267 289 P C 0.503 177.787 177.300 -0.026 0.000 1.205 289 P CA 0.262 63.351 63.100 -0.018 0.000 0.765 289 P CB 0.816 32.310 31.700 -0.343 0.000 0.828 290 I N 1.492 122.115 120.570 0.088 0.000 2.900 290 I HA 0.064 4.234 4.170 -0.000 0.000 0.251 290 I C 0.703 176.845 176.117 0.042 0.000 1.102 290 I CA 0.994 62.317 61.300 0.038 0.000 1.457 290 I CB 0.055 38.095 38.000 0.067 0.000 1.285 290 I HN 0.410 nan 8.210 nan 0.000 0.459 291 D N -1.173 119.302 120.400 0.125 0.000 2.812 291 D HA 0.053 4.693 4.640 -0.000 0.000 0.318 291 D C 0.431 176.835 176.300 0.175 0.000 1.234 291 D CA -0.497 53.576 54.000 0.122 0.000 0.989 291 D CB 0.102 40.976 40.800 0.122 0.000 1.442 291 D HN -0.058 nan 8.370 nan 0.000 0.537 292 E N -0.265 120.024 120.200 0.148 0.000 2.204 292 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 292 E C 1.503 178.179 176.600 0.126 0.000 0.990 292 E CA 1.461 57.945 56.400 0.141 0.000 0.821 292 E CB -0.574 29.186 29.700 0.101 0.000 0.750 292 E HN 0.621 nan 8.360 nan 0.000 0.477 293 G N -0.042 108.834 108.800 0.127 0.000 3.159 293 G HA2 0.114 4.074 3.960 -0.000 0.000 0.232 293 G HA3 0.114 4.074 3.960 -0.000 0.000 0.232 293 G C -0.298 174.404 174.900 -0.330 0.000 1.116 293 G CA -0.304 44.748 45.100 -0.079 0.000 0.767 293 G HN 0.201 nan 8.290 nan 0.000 0.547 294 H N -0.502 118.654 119.070 0.143 0.000 2.961 294 H HA 0.570 5.126 4.556 -0.000 0.000 0.371 294 H C -0.702 174.769 175.328 0.238 0.000 1.190 294 H CA -0.934 55.201 56.048 0.144 0.000 1.138 294 H CB 1.559 31.363 29.762 0.070 0.000 1.816 294 H HN 0.289 nan 8.280 nan 0.000 0.551 295 H N 0.994 120.227 119.070 0.272 0.000 2.928 295 H HA 0.327 4.883 4.556 -0.000 0.000 0.371 295 H C -1.350 174.130 175.328 0.252 0.000 1.186 295 H CA -1.068 55.139 56.048 0.265 0.000 1.134 295 H CB 1.711 31.684 29.762 0.352 0.000 1.824 295 H HN 0.435 nan 8.280 nan 0.000 0.554 296 L N 3.320 124.719 121.223 0.293 0.000 2.261 296 L HA 0.184 4.524 4.340 -0.000 0.000 0.289 296 L C -1.206 175.894 176.870 0.384 0.000 1.059 296 L CA -0.437 54.522 54.840 0.198 0.000 0.816 296 L CB -0.331 41.765 42.059 0.062 0.000 1.191 296 L HN 0.664 nan 8.230 nan 0.000 0.431 297 Y N 6.631 127.056 120.300 0.209 0.000 2.504 297 Y HA 0.287 4.837 4.550 0.000 0.000 0.351 297 Y C -0.829 175.215 175.900 0.240 0.000 0.988 297 Y CA -0.829 57.445 58.100 0.291 0.000 1.239 297 Y CB 0.573 39.200 38.460 0.278 0.000 1.128 297 Y HN 0.514 nan 8.280 nan 0.000 0.525 298 L N 7.477 128.787 121.223 0.145 0.000 2.265 298 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 298 L C -0.941 175.923 176.870 -0.009 0.000 1.033 298 L CA -0.429 54.452 54.840 0.069 0.000 0.814 298 L CB 1.034 43.174 42.059 0.134 0.000 1.203 298 L HN 0.654 nan 8.230 nan 0.000 0.423 299 Q N 5.451 125.207 119.800 -0.074 0.000 2.368 299 Q HA 0.493 4.833 4.340 -0.000 0.000 0.263 299 Q C -0.968 175.182 176.000 0.250 0.000 1.009 299 Q CA -0.564 55.260 55.803 0.034 0.000 0.818 299 Q CB 2.313 31.001 28.738 -0.083 0.000 1.239 299 Q HN 0.486 nan 8.270 nan 0.000 0.464 300 M N 2.966 122.800 119.600 0.390 0.000 2.436 300 M HA 0.528 5.008 4.480 -0.000 0.000 0.331 300 M C -0.820 175.808 176.300 0.548 0.000 1.135 300 M CA -0.565 55.020 55.300 0.475 0.000 0.987 300 M CB 1.269 34.239 32.600 0.617 0.000 1.687 300 M HN 0.528 nan 8.290 nan 0.000 0.445 301 L N 1.472 123.006 121.223 0.518 0.000 2.356 301 L HA 0.855 5.195 4.340 -0.000 0.000 0.277 301 L C 0.267 177.481 176.870 0.573 0.000 0.996 301 L CA -0.651 54.508 54.840 0.531 0.000 0.822 301 L CB 2.219 44.653 42.059 0.624 0.000 1.256 301 L HN 0.864 nan 8.230 nan 0.000 0.413 302 G N 2.223 111.289 108.800 0.443 0.000 2.482 302 G HA2 0.726 4.686 3.960 -0.000 0.000 0.317 302 G HA3 0.726 4.686 3.960 -0.000 0.000 0.317 302 G C -1.530 173.300 174.900 -0.117 0.000 1.241 302 G CA -0.554 44.710 45.100 0.273 0.000 0.967 302 G HN 0.564 nan 8.290 nan 0.000 0.482 303 R N 1.362 121.617 120.500 -0.409 0.000 2.533 303 R HA 0.358 4.698 4.340 -0.000 0.000 0.288 303 R C -0.471 175.653 176.300 -0.293 0.000 1.039 303 R CA -0.821 54.950 56.100 -0.548 0.000 0.909 303 R CB 1.541 31.129 30.300 -1.187 0.000 1.195 303 R HN 0.554 nan 8.270 nan 0.000 0.438 304 R N 2.313 122.709 120.500 -0.173 0.000 2.484 304 R HA 0.183 4.523 4.340 -0.000 0.000 0.293 304 R C -0.523 175.720 176.300 -0.095 0.000 1.023 304 R CA 0.079 56.117 56.100 -0.103 0.000 1.037 304 R CB 0.939 31.198 30.300 -0.068 0.000 0.951 304 R HN 0.247 nan 8.270 nan 0.000 0.418 305 V N 1.697 121.575 119.914 -0.060 0.000 2.769 305 V HA 0.423 4.543 4.120 -0.000 0.000 0.312 305 V C 0.834 176.919 176.094 -0.016 0.000 1.061 305 V CA -0.321 61.965 62.300 -0.025 0.000 0.931 305 V CB 2.059 33.890 31.823 0.014 0.000 1.010 305 V HN 1.011 nan 8.190 nan 0.000 0.433 306 G N 1.629 110.426 108.800 -0.004 0.000 3.079 306 G HA2 0.374 4.334 3.960 -0.000 0.000 0.233 306 G HA3 0.374 4.334 3.960 -0.000 0.000 0.233 306 G C 0.275 175.176 174.900 0.003 0.000 1.062 306 G CA 0.745 45.842 45.100 -0.004 0.000 0.809 306 G HN 0.861 nan 8.290 nan 0.000 0.535 307 S N -0.953 114.755 115.700 0.013 0.000 2.579 307 S HA 0.429 4.899 4.470 -0.000 0.000 0.272 307 S C 0.262 174.879 174.600 0.028 0.000 1.141 307 S CA -0.356 57.854 58.200 0.017 0.000 0.843 307 S CB 2.183 65.393 63.200 0.017 0.000 1.122 307 S HN -0.111 nan 8.310 nan 0.000 0.468 308 E N 0.777 120.991 120.200 0.025 0.000 2.338 308 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 308 E C 1.468 178.094 176.600 0.043 0.000 1.007 308 E CA 1.687 58.106 56.400 0.032 0.000 0.849 308 E CB -0.083 29.629 29.700 0.021 0.000 0.774 308 E HN 0.745 nan 8.360 nan 0.000 0.506 309 E N 0.403 120.627 120.200 0.039 0.000 2.028 309 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 309 E C 1.548 178.186 176.600 0.064 0.000 0.984 309 E CA 1.216 57.643 56.400 0.044 0.000 0.800 309 E CB -0.105 29.615 29.700 0.034 0.000 0.758 309 E HN 0.521 nan 8.360 nan 0.000 0.448 310 E N 0.038 120.278 120.200 0.067 0.000 2.478 310 E HA -0.058 4.292 4.350 -0.000 0.000 0.198 310 E C 1.700 178.388 176.600 0.147 0.000 1.046 310 E CA 0.596 57.052 56.400 0.093 0.000 0.870 310 E CB 0.125 29.865 29.700 0.066 0.000 0.818 310 E HN 0.238 nan 8.360 nan 0.000 0.527 311 A N 2.216 125.116 122.820 0.133 0.000 1.874 311 A HA -0.032 4.288 4.320 -0.000 0.000 0.214 311 A C 2.231 179.932 177.584 0.197 0.000 1.189 311 A CA 0.695 52.844 52.037 0.187 0.000 0.615 311 A CB -0.224 18.849 19.000 0.122 0.000 0.830 311 A HN 0.065 nan 8.150 nan 0.000 0.443 312 R N -0.409 120.163 120.500 0.120 0.000 2.152 312 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 312 R C 2.504 178.858 176.300 0.090 0.000 1.117 312 R CA 1.268 57.417 56.100 0.081 0.000 0.981 312 R CB -0.307 30.023 30.300 0.051 0.000 0.870 312 R HN 0.553 nan 8.270 nan 0.000 0.451 313 S N 0.518 116.295 115.700 0.128 0.000 2.355 313 S HA -0.150 4.320 4.470 -0.000 0.000 0.222 313 S C 1.681 176.418 174.600 0.230 0.000 1.031 313 S CA 0.918 59.205 58.200 0.144 0.000 0.993 313 S CB -0.246 63.038 63.200 0.140 0.000 0.859 313 S HN 0.343 nan 8.310 nan 0.000 0.453 314 F N 3.049 123.075 119.950 0.127 0.000 2.134 314 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 314 F C 2.419 178.330 175.800 0.186 0.000 1.097 314 F CA 2.002 60.119 58.000 0.194 0.000 1.264 314 F CB -0.910 38.212 39.000 0.204 0.000 1.001 314 F HN 0.242 nan 8.300 nan 0.000 0.479 315 E N 0.865 121.001 120.200 -0.106 0.000 2.085 315 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 315 E C 2.207 178.668 176.600 -0.232 0.000 0.994 315 E CA 1.434 57.543 56.400 -0.486 0.000 0.801 315 E CB -0.502 29.011 29.700 -0.312 0.000 0.743 315 E HN 0.452 nan 8.360 nan 0.000 0.453 316 A N 0.937 123.718 122.820 -0.065 0.000 1.897 316 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 316 A C 2.161 179.743 177.584 -0.002 0.000 1.181 316 A CA 1.552 53.573 52.037 -0.028 0.000 0.620 316 A CB -0.502 18.496 19.000 -0.003 0.000 0.821 316 A HN 0.390 nan 8.150 nan 0.000 0.443 317 E N -1.113 119.130 120.200 0.071 0.000 2.077 317 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 317 E C 1.751 178.419 176.600 0.115 0.000 0.989 317 E CA 1.296 57.752 56.400 0.093 0.000 0.800 317 E CB -0.284 29.600 29.700 0.306 0.000 0.746 317 E HN 0.562 nan 8.360 nan 0.000 0.452 318 F N 1.607 121.578 119.950 0.036 0.000 2.043 318 F HA -0.248 4.279 4.527 -0.000 0.000 0.297 318 F C 2.347 178.138 175.800 -0.016 0.000 1.121 318 F CA 2.053 60.073 58.000 0.033 0.000 1.199 318 F CB -0.150 38.618 39.000 -0.387 0.000 0.968 318 F HN -0.106 nan 8.300 nan 0.000 0.478 319 R N 0.067 120.550 120.500 -0.028 0.000 2.066 319 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 319 R C 2.133 178.341 176.300 -0.154 0.000 1.131 319 R CA 1.840 57.873 56.100 -0.113 0.000 0.955 319 R CB -0.471 29.820 30.300 -0.014 0.000 0.851 319 R HN 0.456 nan 8.270 nan 0.000 0.432 320 E N -0.244 119.879 120.200 -0.128 0.000 2.285 320 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 320 E C 1.631 178.108 176.600 -0.206 0.000 0.997 320 E CA 0.726 57.041 56.400 -0.141 0.000 0.845 320 E CB 0.311 29.945 29.700 -0.110 0.000 0.782 320 E HN 0.207 nan 8.360 nan 0.000 0.491 321 K N -0.329 119.893 120.400 -0.297 0.000 2.524 321 K HA 0.028 4.348 4.320 -0.000 0.000 0.210 321 K C 1.377 177.730 176.600 -0.411 0.000 1.340 321 K CA -0.131 55.883 56.287 -0.455 0.000 0.880 321 K CB -0.176 31.864 32.500 -0.767 0.000 1.616 321 K HN -0.003 nan 8.250 nan 0.000 0.457 322 W N 1.538 122.756 121.300 -0.138 0.000 2.374 322 W HA -0.142 4.518 4.660 -0.000 0.000 0.288 322 W C 1.896 178.272 176.519 -0.239 0.000 1.218 322 W CA 0.236 57.490 57.345 -0.152 0.000 1.245 322 W CB -0.240 29.178 29.460 -0.070 0.000 1.126 322 W HN -0.068 nan 8.180 nan 0.000 0.545 323 V N 0.634 120.408 119.914 -0.233 0.000 2.255 323 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 323 V C 2.296 178.344 176.094 -0.076 0.000 1.051 323 V CA 1.981 64.122 62.300 -0.265 0.000 1.018 323 V CB -0.659 30.931 31.823 -0.388 0.000 0.641 323 V HN 0.088 nan 8.190 nan 0.000 0.445 324 E N -0.531 119.623 120.200 -0.077 0.000 2.112 324 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 324 E C 2.117 178.729 176.600 0.019 0.000 0.979 324 E CA 0.661 57.045 56.400 -0.026 0.000 0.814 324 E CB -0.227 29.443 29.700 -0.050 0.000 0.762 324 E HN 0.463 nan 8.360 nan 0.000 0.460 325 L N -0.239 120.991 121.223 0.011 0.000 2.072 325 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 325 L C 1.900 178.866 176.870 0.160 0.000 1.079 325 L CA 1.432 56.304 54.840 0.053 0.000 0.752 325 L CB -0.086 41.961 42.059 -0.021 0.000 0.906 325 L HN 0.068 nan 8.230 nan 0.000 0.436 326 A N -0.952 122.000 122.820 0.220 0.000 2.042 326 A HA 0.106 4.426 4.320 -0.000 0.000 0.207 326 A C 1.914 179.686 177.584 0.313 0.000 1.598 326 A CA -0.140 52.061 52.037 0.274 0.000 0.818 326 A CB -0.488 18.648 19.000 0.226 0.000 1.169 326 A HN 0.224 nan 8.150 nan 0.000 0.548 327 L N 0.471 121.838 121.223 0.240 0.000 2.089 327 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 327 L C 1.973 178.979 176.870 0.226 0.000 1.079 327 L CA 1.624 56.599 54.840 0.226 0.000 0.758 327 L CB -0.620 41.513 42.059 0.124 0.000 0.891 327 L HN 0.437 nan 8.230 nan 0.000 0.433 328 N N -0.407 118.398 118.700 0.175 0.000 2.511 328 N HA 0.005 4.745 4.740 -0.000 0.000 0.190 328 N C 1.873 177.490 175.510 0.178 0.000 1.037 328 N CA 1.149 54.294 53.050 0.159 0.000 0.895 328 N CB -0.656 37.886 38.487 0.092 0.000 1.149 328 N HN 0.170 nan 8.380 nan 0.000 0.437 329 G N -0.041 108.861 108.800 0.170 0.000 2.450 329 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 329 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 329 G C 1.235 176.290 174.900 0.259 0.000 1.130 329 G CA 0.560 45.765 45.100 0.176 0.000 0.760 329 G HN 0.277 nan 8.290 nan 0.000 0.557 330 F N 0.813 120.856 119.950 0.156 0.000 2.390 330 F HA 0.252 4.779 4.527 0.000 0.000 0.281 330 F C 2.273 178.221 175.800 0.246 0.000 1.016 330 F CA 0.714 58.814 58.000 0.166 0.000 1.286 330 F CB -0.126 38.972 39.000 0.164 0.000 1.134 330 F HN 0.102 nan 8.300 nan 0.000 0.597 331 N N 0.242 119.178 118.700 0.394 0.000 2.459 331 N HA -0.140 4.600 4.740 -0.000 0.000 0.181 331 N C 0.901 176.581 175.510 0.284 0.000 1.046 331 N CA 0.844 54.118 53.050 0.373 0.000 0.904 331 N CB -0.116 38.688 38.487 0.528 0.000 0.964 331 N HN 0.190 nan 8.380 nan 0.000 0.444 332 D N 0.983 121.516 120.400 0.222 0.000 2.149 332 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 332 D C 1.140 177.495 176.300 0.092 0.000 0.990 332 D CA 1.011 55.105 54.000 0.157 0.000 0.839 332 D CB -0.177 40.696 40.800 0.121 0.000 0.948 332 D HN 0.216 nan 8.370 nan 0.000 0.460 333 D N 0.296 120.733 120.400 0.061 0.000 2.310 333 D HA -0.098 4.542 4.640 -0.000 0.000 0.212 333 D C 1.289 177.549 176.300 -0.067 0.000 0.965 333 D CA 0.534 54.515 54.000 -0.033 0.000 0.879 333 D CB -0.037 40.693 40.800 -0.118 0.000 0.921 333 D HN 0.255 nan 8.370 nan 0.000 0.510 334 D N 0.414 120.818 120.400 0.007 0.000 2.224 334 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 334 D C 2.165 178.438 176.300 -0.045 0.000 0.965 334 D CA 0.177 54.162 54.000 -0.025 0.000 0.852 334 D CB 0.221 41.058 40.800 0.060 0.000 0.947 334 D HN 0.185 nan 8.370 nan 0.000 0.494 335 I N 1.255 121.823 120.570 -0.003 0.000 2.264 335 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 335 I C 2.550 178.658 176.117 -0.015 0.000 1.111 335 I CA 0.665 61.964 61.300 -0.001 0.000 1.382 335 I CB -1.193 36.832 38.000 0.042 0.000 1.060 335 I HN 0.109 nan 8.210 nan 0.000 0.418 336 L N 0.796 122.005 121.223 -0.023 0.000 2.046 336 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 336 L C 2.720 179.564 176.870 -0.044 0.000 1.077 336 L CA 1.744 56.566 54.840 -0.030 0.000 0.747 336 L CB -0.320 41.718 42.059 -0.036 0.000 0.896 336 L HN 0.227 nan 8.230 nan 0.000 0.432 337 A N 0.244 123.025 122.820 -0.065 0.000 1.883 337 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 337 A C 2.236 179.776 177.584 -0.073 0.000 1.186 337 A CA 1.886 53.875 52.037 -0.080 0.000 0.624 337 A CB -0.552 18.377 19.000 -0.119 0.000 0.822 337 A HN 0.462 nan 8.150 nan 0.000 0.444 338 R N -0.883 119.573 120.500 -0.072 0.000 2.081 338 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 338 R C 2.463 178.751 176.300 -0.021 0.000 1.131 338 R CA 1.557 57.623 56.100 -0.056 0.000 0.960 338 R CB -0.308 29.983 30.300 -0.015 0.000 0.856 338 R HN 0.490 nan 8.270 nan 0.000 0.436 339 R N -0.205 120.286 120.500 -0.014 0.000 2.092 339 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 339 R C 2.444 178.736 176.300 -0.014 0.000 1.119 339 R CA 1.325 57.419 56.100 -0.010 0.000 0.970 339 R CB -0.224 30.070 30.300 -0.009 0.000 0.864 339 R HN 0.070 nan 8.270 nan 0.000 0.440 340 S N 0.107 115.793 115.700 -0.023 0.000 2.414 340 S HA 0.019 4.489 4.470 -0.000 0.000 0.227 340 S C 1.824 176.416 174.600 -0.014 0.000 1.022 340 S CA 0.826 59.008 58.200 -0.029 0.000 0.958 340 S CB 0.116 63.288 63.200 -0.046 0.000 0.797 340 S HN 0.195 nan 8.310 nan 0.000 0.493 341 M N 0.563 120.171 119.600 0.012 0.000 2.288 341 M HA -0.008 4.472 4.480 -0.000 0.000 0.266 341 M C 2.018 178.414 176.300 0.161 0.000 1.072 341 M CA 1.031 56.397 55.300 0.110 0.000 1.132 341 M CB -0.396 32.275 32.600 0.119 0.000 1.386 341 M HN 0.241 nan 8.290 nan 0.000 0.432 342 E N 1.767 122.005 120.200 0.063 0.000 2.082 342 E HA -0.221 4.129 4.350 -0.000 0.000 0.215 342 E C -0.830 175.796 176.600 0.042 0.000 1.048 342 E CA 2.610 59.034 56.400 0.039 0.000 0.869 342 E CB -1.472 28.229 29.700 0.001 0.000 0.773 342 E HN 0.266 nan 8.360 nan 0.000 0.466 343 P HA -0.159 nan 4.420 nan 0.000 0.218 343 P C 1.497 178.804 177.300 0.011 0.000 1.148 343 P CA 1.265 64.373 63.100 0.014 0.000 0.822 343 P CB -0.296 31.411 31.700 0.011 0.000 0.784 344 F N -0.116 119.723 119.950 -0.186 0.000 2.171 344 F HA -0.146 4.381 4.527 0.000 0.000 0.300 344 F C 1.884 177.347 175.800 -0.560 0.000 1.090 344 F CA 1.366 59.144 58.000 -0.369 0.000 1.293 344 F CB -0.758 37.962 39.000 -0.466 0.000 1.013 344 F HN -0.193 nan 8.300 nan 0.000 0.486 345 Y N -1.049 119.060 120.300 -0.317 0.000 2.497 345 Y HA 0.343 4.893 4.550 -0.000 0.000 0.265 345 Y C 2.266 177.980 175.900 -0.310 0.000 1.111 345 Y CA 0.419 58.166 58.100 -0.588 0.000 1.288 345 Y CB -0.850 37.145 38.460 -0.776 0.000 1.082 345 Y HN 0.052 nan 8.280 nan 0.000 0.536 346 A N 0.649 123.439 122.820 -0.050 0.000 1.978 346 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 346 A C 1.324 178.908 177.584 0.001 0.000 1.170 346 A CA 2.159 54.194 52.037 -0.003 0.000 0.636 346 A CB -0.658 18.338 19.000 -0.006 0.000 0.810 346 A HN 0.512 nan 8.150 nan 0.000 0.448 347 D N -2.469 117.901 120.400 -0.052 0.000 2.368 347 D HA 0.162 4.802 4.640 -0.000 0.000 0.218 347 D C -0.022 176.268 176.300 -0.016 0.000 1.112 347 D CA 0.445 54.426 54.000 -0.030 0.000 0.834 347 D CB -0.069 40.699 40.800 -0.054 0.000 0.953 347 D HN 0.367 nan 8.370 nan 0.000 0.505 348 D N 0.186 120.594 120.400 0.013 0.000 2.705 348 D HA -0.294 4.346 4.640 -0.000 0.000 0.187 348 D C 1.584 177.883 176.300 -0.002 0.000 1.015 348 D CA 1.514 55.619 54.000 0.175 0.000 1.030 348 D CB -1.121 39.816 40.800 0.228 0.000 1.100 348 D HN 0.605 nan 8.370 nan 0.000 0.439 349 R N 1.378 121.747 120.500 -0.218 0.000 2.115 349 R HA 0.018 4.358 4.340 -0.000 0.000 0.230 349 R C 2.331 178.260 176.300 -0.618 0.000 1.111 349 R CA 2.107 58.022 56.100 -0.308 0.000 0.976 349 R CB -0.887 29.233 30.300 -0.299 0.000 0.870 349 R HN 0.161 nan 8.270 nan 0.000 0.445 350 G N 0.968 109.056 108.800 -1.186 0.000 2.469 350 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.220 350 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.220 350 G C 0.823 175.227 174.900 -0.827 0.000 1.136 350 G CA 0.796 44.686 45.100 -2.016 0.000 0.759 350 G HN 0.563 nan 8.290 nan 0.000 0.562 351 W N 0.920 122.201 121.300 -0.032 0.000 2.364 351 W HA -0.004 4.656 4.660 -0.000 0.000 0.281 351 W C 2.712 179.382 176.519 0.253 0.000 1.219 351 W CA 0.705 58.256 57.345 0.345 0.000 1.220 351 W CB 0.028 29.749 29.460 0.434 0.000 1.127 351 W HN 0.086 nan 8.180 nan 0.000 0.556 352 R N 0.086 120.717 120.500 0.219 0.000 2.175 352 R HA 0.095 4.435 4.340 -0.000 0.000 0.202 352 R C 1.383 177.729 176.300 0.078 0.000 1.018 352 R CA 0.764 56.944 56.100 0.134 0.000 1.029 352 R CB -0.674 29.660 30.300 0.056 0.000 0.959 352 R HN 0.332 nan 8.270 nan 0.000 0.480 353 E N 1.733 121.919 120.200 -0.024 0.000 2.447 353 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 353 E C -0.057 176.665 176.600 0.203 0.000 1.028 353 E CA -0.135 56.297 56.400 0.052 0.000 0.876 353 E CB 0.275 29.981 29.700 0.010 0.000 0.885 353 E HN 0.466 nan 8.360 nan 0.000 0.500 354 E N 0.899 121.236 120.200 0.228 0.000 2.436 354 E HA 0.061 4.411 4.350 -0.000 0.000 0.262 354 E C -0.433 176.289 176.600 0.203 0.000 1.063 354 E CA 0.050 56.640 56.400 0.316 0.000 0.944 354 E CB 0.994 30.921 29.700 0.378 0.000 0.950 354 E HN -0.219 nan 8.360 nan 0.000 0.444 355 V N 4.588 124.581 119.914 0.132 0.000 2.305 355 V HA 0.190 4.310 4.120 -0.000 0.000 0.275 355 V C 0.079 176.228 176.094 0.090 0.000 1.020 355 V CA -0.573 61.782 62.300 0.092 0.000 0.811 355 V CB 0.354 32.194 31.823 0.027 0.000 1.031 355 V HN 0.571 nan 8.190 nan 0.000 0.439 356 L N 5.124 126.443 121.223 0.159 0.000 2.439 356 L HA 0.592 4.932 4.340 -0.000 0.000 0.261 356 L C 0.112 177.157 176.870 0.292 0.000 1.153 356 L CA -0.212 54.758 54.840 0.217 0.000 0.808 356 L CB 0.790 42.981 42.059 0.221 0.000 1.126 356 L HN 0.639 nan 8.230 nan 0.000 0.460 357 F N -0.868 119.105 119.950 0.038 0.000 2.782 357 F HA 0.513 5.040 4.527 -0.000 0.000 0.366 357 F C 1.040 176.854 175.800 0.023 0.000 1.171 357 F CA -1.644 56.372 58.000 0.026 0.000 1.064 357 F CB 0.110 39.117 39.000 0.011 0.000 1.449 357 F HN 0.335 nan 8.300 nan 0.000 0.520 358 E N 0.698 120.807 120.200 -0.151 0.000 2.108 358 E HA -0.178 4.172 4.350 -0.000 0.000 0.203 358 E C 2.025 178.429 176.600 -0.327 0.000 1.022 358 E CA 3.066 59.321 56.400 -0.241 0.000 0.823 358 E CB -0.564 29.010 29.700 -0.210 0.000 0.744 358 E HN 0.640 nan 8.360 nan 0.000 0.456 359 S N 0.356 115.683 115.700 -0.620 0.000 2.555 359 S HA -0.080 4.390 4.470 -0.000 0.000 0.230 359 S C 0.870 175.343 174.600 -0.212 0.000 0.978 359 S CA 0.731 58.697 58.200 -0.390 0.000 0.934 359 S CB 0.020 62.976 63.200 -0.406 0.000 0.766 359 S HN 0.108 nan 8.310 nan 0.000 0.533 360 D N 1.376 121.705 120.400 -0.119 0.000 2.349 360 D HA 0.085 4.725 4.640 -0.000 0.000 0.224 360 D C 1.789 178.075 176.300 -0.023 0.000 1.029 360 D CA 0.123 54.120 54.000 -0.005 0.000 0.879 360 D CB -0.062 40.811 40.800 0.123 0.000 0.906 360 D HN 0.301 nan 8.370 nan 0.000 0.528 361 R N 1.869 122.337 120.500 -0.053 0.000 2.091 361 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 361 R C 1.895 178.183 176.300 -0.020 0.000 1.136 361 R CA 1.717 57.800 56.100 -0.028 0.000 0.959 361 R CB -0.721 29.553 30.300 -0.043 0.000 0.856 361 R HN 0.058 nan 8.270 nan 0.000 0.437 362 A N 0.283 123.058 122.820 -0.075 0.000 1.877 362 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 362 A C 2.181 179.848 177.584 0.139 0.000 1.186 362 A CA 1.640 53.648 52.037 -0.049 0.000 0.620 362 A CB -0.677 18.071 19.000 -0.419 0.000 0.822 362 A HN 0.384 nan 8.150 nan 0.000 0.443 363 I N -0.116 120.483 120.570 0.047 0.000 2.394 363 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 363 I C 2.077 178.220 176.117 0.042 0.000 1.136 363 I CA 0.950 62.349 61.300 0.165 0.000 1.425 363 I CB -0.187 37.847 38.000 0.057 0.000 1.079 363 I HN 0.369 nan 8.210 nan 0.000 0.425 364 I N 0.099 120.643 120.570 -0.043 0.000 2.315 364 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 364 I C 2.225 178.279 176.117 -0.106 0.000 1.117 364 I CA 0.941 62.151 61.300 -0.151 0.000 1.404 364 I CB -0.462 37.527 38.000 -0.018 0.000 1.071 364 I HN 0.188 nan 8.210 nan 0.000 0.419 365 E N 0.311 120.519 120.200 0.013 0.000 2.106 365 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 365 E C 1.738 178.336 176.600 -0.004 0.000 0.984 365 E CA 1.106 57.523 56.400 0.028 0.000 0.806 365 E CB -0.418 29.329 29.700 0.079 0.000 0.750 365 E HN 0.674 nan 8.360 nan 0.000 0.458 366 W N 2.384 123.605 121.300 -0.133 0.000 2.379 366 W HA -0.172 4.488 4.660 0.000 0.000 0.307 366 W C 1.621 177.924 176.519 -0.359 0.000 1.200 366 W CA 1.094 58.288 57.345 -0.251 0.000 1.297 366 W CB -0.194 29.115 29.460 -0.251 0.000 1.140 366 W HN -0.022 nan 8.180 nan 0.000 0.507 367 R N 0.422 120.387 120.500 -0.891 0.000 2.096 367 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 367 R C 2.365 178.262 176.300 -0.671 0.000 1.127 367 R CA 1.594 56.925 56.100 -1.282 0.000 0.968 367 R CB -0.604 28.889 30.300 -1.344 0.000 0.861 367 R HN 0.277 nan 8.270 nan 0.000 0.440 368 R N 0.755 121.049 120.500 -0.344 0.000 2.066 368 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 368 R C 2.494 178.699 176.300 -0.159 0.000 1.131 368 R CA 1.005 57.046 56.100 -0.099 0.000 0.955 368 R CB -0.465 29.841 30.300 0.011 0.000 0.851 368 R HN 0.173 nan 8.270 nan 0.000 0.432 369 L N 0.609 121.721 121.223 -0.186 0.000 2.017 369 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 369 L C 2.422 179.174 176.870 -0.196 0.000 1.073 369 L CA 1.670 56.470 54.840 -0.068 0.000 0.745 369 L CB -0.377 41.641 42.059 -0.067 0.000 0.894 369 L HN 0.200 nan 8.230 nan 0.000 0.432 370 A N -0.987 121.473 122.820 -0.599 0.000 1.908 370 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 370 A C 2.372 179.688 177.584 -0.448 0.000 1.181 370 A CA 2.127 53.743 52.037 -0.701 0.000 0.627 370 A CB -0.870 17.382 19.000 -1.248 0.000 0.818 370 A HN 0.546 nan 8.150 nan 0.000 0.445 371 S N -0.963 114.558 115.700 -0.297 0.000 2.368 371 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 371 S C 2.154 176.639 174.600 -0.192 0.000 1.030 371 S CA 1.529 59.650 58.200 -0.133 0.000 0.999 371 S CB -0.255 62.924 63.200 -0.035 0.000 0.844 371 S HN 0.755 nan 8.310 nan 0.000 0.459 372 Q N -0.675 118.971 119.800 -0.257 0.000 2.137 372 Q HA -0.034 4.305 4.340 -0.000 0.000 0.198 372 Q C 0.874 176.541 176.000 -0.555 0.000 0.960 372 Q CA 1.159 56.706 55.803 -0.427 0.000 0.847 372 Q CB -0.008 28.372 28.738 -0.598 0.000 0.915 372 Q HN 0.642 nan 8.270 nan 0.000 0.448 373 Y N 0.653 120.853 120.300 -0.167 0.000 2.458 373 Y HA 0.136 4.686 4.550 0.000 0.000 0.256 373 Y C 0.032 175.838 175.900 -0.158 0.000 1.159 373 Y CA -0.486 57.533 58.100 -0.135 0.000 1.261 373 Y CB -0.038 38.363 38.460 -0.098 0.000 1.119 373 Y HN 0.269 nan 8.280 nan 0.000 0.524 374 N N 0.534 119.101 118.700 -0.223 0.000 2.453 374 N HA 0.011 4.751 4.740 -0.000 0.000 0.253 374 N C 0.298 175.805 175.510 -0.005 0.000 1.252 374 N CA -0.263 52.610 53.050 -0.294 0.000 0.917 374 N CB 0.555 38.322 38.487 -1.200 0.000 1.117 374 N HN 0.097 nan 8.380 nan 0.000 0.442 375 R N 0.487 121.106 120.500 0.198 0.000 2.363 375 R HA 0.285 4.625 4.340 -0.000 0.000 0.236 375 R C -0.001 176.332 176.300 0.056 0.000 0.966 375 R CA 0.005 56.110 56.100 0.008 0.000 1.100 375 R CB -0.351 29.803 30.300 -0.243 0.000 1.125 375 R HN 0.818 nan 8.270 nan 0.000 0.514 376 G N 0.530 109.406 108.800 0.126 0.000 2.307 376 G HA2 0.026 3.986 3.960 -0.000 0.000 0.348 376 G HA3 0.026 3.986 3.960 -0.000 0.000 0.348 376 G C -1.411 173.655 174.900 0.276 0.000 1.603 376 G CA -1.075 44.115 45.100 0.151 0.000 0.961 376 G HN -0.040 nan 8.290 nan 0.000 0.686 377 I N 1.414 122.118 120.570 0.222 0.000 2.304 377 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 377 I C 0.667 176.873 176.117 0.149 0.000 1.018 377 I CA -0.752 60.695 61.300 0.246 0.000 1.260 377 I CB 1.152 39.263 38.000 0.186 0.000 1.390 377 I HN 0.693 nan 8.210 nan 0.000 0.475 378 Q N 5.697 125.570 119.800 0.121 0.000 2.313 378 Q HA 0.336 4.676 4.340 -0.000 0.000 0.266 378 Q C -0.175 175.852 176.000 0.046 0.000 0.989 378 Q CA 0.171 56.008 55.803 0.057 0.000 0.890 378 Q CB 0.772 29.509 28.738 -0.001 0.000 1.200 378 Q HN 0.850 nan 8.270 nan 0.000 0.396 379 T N 1.028 115.606 114.554 0.040 0.000 2.864 379 T HA 0.720 5.070 4.350 -0.000 0.000 0.289 379 T C -0.194 174.523 174.700 0.030 0.000 1.082 379 T CA -1.077 61.046 62.100 0.037 0.000 1.009 379 T CB 1.429 70.320 68.868 0.040 0.000 1.234 379 T HN 0.622 nan 8.240 nan 0.000 0.526 380 R N 0.150 120.668 120.500 0.029 0.000 2.730 380 R HA 0.698 5.038 4.340 -0.000 0.000 0.228 380 R C -0.762 175.552 176.300 0.024 0.000 1.312 380 R CA -0.435 55.681 56.100 0.026 0.000 1.093 380 R CB 0.100 30.416 30.300 0.027 0.000 1.583 380 R HN 0.923 nan 8.270 nan 0.000 0.535 381 D N 0.000 120.413 120.400 0.022 0.000 6.856 381 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 381 D CA 0.000 54.012 54.000 0.019 0.000 0.868 381 D CB 0.000 40.812 40.800 0.019 0.000 0.688 381 D HN 0.000 nan 8.370 nan 0.000 0.683