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 1s3h_1_A DATA FIRST_RESID 3 DATA SEQUENCE PREIEVSEPR EVGITELVLR DAHQSLMATR MAMEDMVGAC ADIDAAGYWS DATA SEQUENCE VECWGGTTYD SCIRFLNEDP WERLRTFRKL MPNSRLQMLL RGQNLLGYRH DATA SEQUENCE YNDEVVDRFV DKSAENGMDV FRVFDAMNDP RNMAHAMAAV KKAGKHAQGT DATA SEQUENCE ICYTISPVHT VEGYVKLAGQ LLDMGADSIA LXDMAALLKP QPAYDIIKAI DATA SEQUENCE KDTYGQKTQI NLHCHSTTGV TEVSLMKAIE AGVDVVDTAI SSMSLGPGHN DATA SEQUENCE PTESVAEMLE GTGYTTNLDY DRLHKIRDHF KAIRPKYKKF ESKTLVDTSI DATA SEQUENCE FKSQIPGGML SNMESQLRAQ GAEDKMDEVM AEVPRVRKAA GFPPLVTPSS DATA SEQUENCE QIVGTQAVFN VMMGEYKRMT GEFADIMLGY YGASPADRDP KVVKLAEEQS DATA SEQUENCE GKKPITQRPA DLLPPEWEKQ SKEAATLKGF NGTDEDVLTY ALFPQVAPVF DATA SEQUENCE FEHRAEGPHS VALTDAQLKA EA 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 3 P HA 0.000 nan 4.420 nan 0.000 0.216 3 P C 0.000 177.292 177.300 -0.013 0.000 1.155 3 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 3 P CB 0.000 31.693 31.700 -0.011 0.000 0.726 4 R N 0.532 121.022 120.500 -0.016 0.000 2.611 4 R HA 0.789 5.129 4.340 -0.000 0.000 0.243 4 R C -0.344 175.944 176.300 -0.019 0.000 1.260 4 R CA -0.747 55.343 56.100 -0.017 0.000 1.095 4 R CB 1.012 31.299 30.300 -0.021 0.000 1.259 4 R HN 0.383 nan 8.270 nan 0.000 0.575 5 E N -0.518 119.670 120.200 -0.020 0.000 2.383 5 E HA 0.462 4.812 4.350 -0.000 0.000 0.275 5 E C -1.540 175.044 176.600 -0.027 0.000 0.918 5 E CA -0.669 55.720 56.400 -0.018 0.000 0.764 5 E CB 2.108 31.805 29.700 -0.006 0.000 1.252 5 E HN 0.494 nan 8.360 nan 0.000 0.449 6 I N 2.653 123.203 120.570 -0.032 0.000 2.447 6 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 6 I C -0.374 175.752 176.117 0.014 0.000 1.023 6 I CA -0.735 60.533 61.300 -0.054 0.000 1.083 6 I CB 1.894 39.809 38.000 -0.141 0.000 1.245 6 I HN 0.562 nan 8.210 nan 0.000 0.434 7 E N 6.467 126.711 120.200 0.074 0.000 2.344 7 E HA 0.384 4.734 4.350 -0.000 0.000 0.270 7 E C -1.073 175.644 176.600 0.195 0.000 1.021 7 E CA -0.460 56.014 56.400 0.122 0.000 0.887 7 E CB 1.047 30.827 29.700 0.134 0.000 0.997 7 E HN 0.443 nan 8.360 nan 0.000 0.429 8 V N 1.412 121.422 119.914 0.161 0.000 2.914 8 V HA 0.564 4.684 4.120 -0.000 0.000 0.314 8 V C -0.035 176.176 176.094 0.195 0.000 1.084 8 V CA -0.783 61.650 62.300 0.221 0.000 0.963 8 V CB 1.412 33.376 31.823 0.235 0.000 1.025 8 V HN 0.770 nan 8.190 nan 0.000 0.432 9 S N 1.788 117.629 115.700 0.236 0.000 2.579 9 S HA 0.263 4.733 4.470 -0.000 0.000 0.275 9 S C 0.226 174.969 174.600 0.238 0.000 1.345 9 S CA -0.317 57.999 58.200 0.194 0.000 1.031 9 S CB 0.468 63.754 63.200 0.144 0.000 0.892 9 S HN 1.226 nan 8.310 nan 0.000 0.529 10 E N 0.698 120.981 120.200 0.137 0.000 2.436 10 E HA 0.151 4.501 4.350 -0.000 0.000 0.262 10 E C -2.670 173.985 176.600 0.090 0.000 1.063 10 E CA -1.705 54.740 56.400 0.075 0.000 0.944 10 E CB -1.292 28.439 29.700 0.052 0.000 0.950 10 E HN 0.358 nan 8.360 nan 0.000 0.444 11 P HA 0.020 nan 4.420 nan 0.000 0.265 11 P C -0.405 176.936 177.300 0.067 0.000 1.187 11 P CA 0.695 63.744 63.100 -0.086 0.000 0.766 11 P CB 0.342 31.981 31.700 -0.102 0.000 0.820 12 R N -0.040 120.551 120.500 0.151 0.000 2.829 12 R HA 0.341 4.681 4.340 -0.000 0.000 0.283 12 R C -1.395 174.993 176.300 0.146 0.000 1.013 12 R CA -0.990 55.191 56.100 0.134 0.000 0.848 12 R CB 0.715 31.095 30.300 0.134 0.000 1.291 12 R HN 0.239 nan 8.270 nan 0.000 0.496 13 E N 0.854 121.108 120.200 0.090 0.000 2.331 13 E HA 0.348 4.698 4.350 -0.000 0.000 0.272 13 E C -0.656 175.971 176.600 0.046 0.000 1.036 13 E CA -0.730 55.714 56.400 0.073 0.000 0.864 13 E CB 1.959 31.693 29.700 0.057 0.000 1.035 13 E HN 0.244 nan 8.360 nan 0.000 0.408 14 V N 2.149 122.081 119.914 0.029 0.000 2.417 14 V HA 0.368 4.488 4.120 -0.000 0.000 0.291 14 V C 0.537 176.620 176.094 -0.018 0.000 1.024 14 V CA -0.769 61.516 62.300 -0.025 0.000 0.861 14 V CB 1.671 33.466 31.823 -0.047 0.000 0.985 14 V HN 0.778 nan 8.190 nan 0.000 0.436 15 G N 4.907 113.672 108.800 -0.059 0.000 2.444 15 G HA2 0.600 4.560 3.960 -0.000 0.000 0.268 15 G HA3 0.600 4.560 3.960 -0.000 0.000 0.268 15 G C -0.635 174.272 174.900 0.011 0.000 1.203 15 G CA -0.344 44.749 45.100 -0.011 0.000 0.835 15 G HN 0.490 nan 8.290 nan 0.000 0.543 16 I N 0.901 121.548 120.570 0.129 0.000 2.498 16 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 16 I C -0.230 176.035 176.117 0.247 0.000 1.032 16 I CA -0.445 60.939 61.300 0.140 0.000 1.073 16 I CB 2.113 40.202 38.000 0.148 0.000 1.251 16 I HN 0.278 nan 8.210 nan 0.000 0.426 17 T N 4.429 119.058 114.554 0.125 0.000 2.758 17 T HA 0.242 4.592 4.350 -0.000 0.000 0.285 17 T C -0.073 174.531 174.700 -0.160 0.000 0.981 17 T CA -0.390 61.738 62.100 0.047 0.000 0.965 17 T CB 1.393 70.296 68.868 0.058 0.000 0.927 17 T HN 0.428 nan 8.240 nan 0.000 0.448 18 E N 2.685 122.601 120.200 -0.473 0.000 2.289 18 E HA 0.274 4.624 4.350 -0.000 0.000 0.278 18 E C 0.048 176.376 176.600 -0.453 0.000 1.032 18 E CA -0.265 55.746 56.400 -0.648 0.000 0.854 18 E CB 0.555 29.404 29.700 -1.419 0.000 1.046 18 E HN 0.541 nan 8.360 nan 0.000 0.409 19 L N 4.176 125.161 121.223 -0.398 0.000 2.693 19 L HA 0.159 4.498 4.340 -0.000 0.000 0.235 19 L C 1.860 178.517 176.870 -0.356 0.000 1.127 19 L CA -0.107 54.503 54.840 -0.383 0.000 0.914 19 L CB 0.192 41.931 42.059 -0.532 0.000 1.193 19 L HN 0.484 nan 8.230 nan 0.000 0.502 20 V N 0.928 120.619 119.914 -0.371 0.000 2.370 20 V HA -0.300 3.820 4.120 -0.000 0.000 0.252 20 V C 2.145 178.049 176.094 -0.316 0.000 1.068 20 V CA 2.079 64.128 62.300 -0.418 0.000 1.061 20 V CB -0.076 31.375 31.823 -0.620 0.000 0.656 20 V HN 0.439 nan 8.190 nan 0.000 0.455 21 L N -0.922 120.148 121.223 -0.255 0.000 2.465 21 L HA 0.033 4.372 4.340 -0.000 0.000 0.224 21 L C 2.408 179.307 176.870 0.048 0.000 1.145 21 L CA 0.898 55.687 54.840 -0.086 0.000 0.834 21 L CB -0.341 41.531 42.059 -0.311 0.000 0.944 21 L HN 0.325 nan 8.230 nan 0.000 0.451 22 R N -0.493 119.890 120.500 -0.195 0.000 4.494 22 R HA -0.005 4.335 4.340 -0.000 0.000 0.124 22 R C 1.313 177.287 176.300 -0.544 0.000 1.588 22 R CA 0.518 56.431 56.100 -0.312 0.000 1.083 22 R CB -0.713 29.504 30.300 -0.137 0.000 1.313 22 R HN -0.090 nan 8.270 nan 0.000 0.426 23 D N 1.280 121.504 120.400 -0.293 0.000 2.149 23 D HA -0.025 4.615 4.640 -0.000 0.000 0.198 23 D C 1.571 177.830 176.300 -0.068 0.000 0.990 23 D CA 1.655 55.573 54.000 -0.137 0.000 0.839 23 D CB 0.011 40.800 40.800 -0.019 0.000 0.948 23 D HN 0.399 nan 8.370 nan 0.000 0.460 24 A N 0.149 122.883 122.820 -0.144 0.000 1.865 24 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 24 A C 1.958 179.491 177.584 -0.086 0.000 1.191 24 A CA 2.327 54.336 52.037 -0.048 0.000 0.623 24 A CB -1.304 17.612 19.000 -0.141 0.000 0.826 24 A HN 0.625 nan 8.150 nan 0.000 0.444 25 H N -1.576 117.440 119.070 -0.090 0.000 2.502 25 H HA 0.093 4.649 4.556 -0.000 0.000 0.283 25 H C 1.856 177.156 175.328 -0.047 0.000 1.015 25 H CA 1.171 57.158 56.048 -0.101 0.000 1.298 25 H CB -0.470 29.194 29.762 -0.164 0.000 1.411 25 H HN 0.606 nan 8.280 nan 0.000 0.556 26 Q N 0.917 120.559 119.800 -0.263 0.000 2.167 26 Q HA -0.077 4.263 4.340 -0.000 0.000 0.202 26 Q C 1.246 177.248 176.000 0.002 0.000 0.970 26 Q CA 1.569 57.321 55.803 -0.084 0.000 0.855 26 Q CB 0.132 28.797 28.738 -0.122 0.000 0.911 26 Q HN 0.515 nan 8.270 nan 0.000 0.438 27 S N -0.301 115.406 115.700 0.011 0.000 2.470 27 S HA 0.150 4.620 4.470 -0.000 0.000 0.222 27 S C 1.575 176.188 174.600 0.022 0.000 1.024 27 S CA 0.163 58.385 58.200 0.038 0.000 0.931 27 S CB 0.294 63.528 63.200 0.057 0.000 0.791 27 S HN 0.335 nan 8.310 nan 0.000 0.513 28 L N 0.997 122.233 121.223 0.021 0.000 2.470 28 L HA 0.355 4.695 4.340 -0.000 0.000 0.219 28 L C 0.965 177.883 176.870 0.080 0.000 1.071 28 L CA 0.412 55.273 54.840 0.035 0.000 0.850 28 L CB 0.088 42.156 42.059 0.015 0.000 1.040 28 L HN 0.356 nan 8.230 nan 0.000 0.475 29 M N -1.292 118.360 119.600 0.086 0.000 3.731 29 M HA 0.486 4.966 4.480 -0.000 0.000 0.442 29 M C 0.335 176.658 176.300 0.038 0.000 1.776 29 M CA -0.368 55.013 55.300 0.135 0.000 0.646 29 M CB 0.367 33.064 32.600 0.160 0.000 1.439 29 M HN -0.004 nan 8.290 nan 0.000 0.523 30 A N 0.205 123.055 122.820 0.050 0.000 2.704 30 A HA -0.186 4.133 4.320 -0.000 0.000 0.299 30 A C 0.969 178.545 177.584 -0.013 0.000 1.507 30 A CA 1.351 53.393 52.037 0.009 0.000 0.776 30 A CB -2.735 16.261 19.000 -0.006 0.000 1.027 30 A HN 1.139 nan 8.150 nan 0.000 0.475 31 T N -1.870 112.734 114.554 0.083 0.000 4.040 31 T HA -0.260 4.090 4.350 -0.000 0.000 0.341 31 T C 0.792 175.550 174.700 0.097 0.000 0.758 31 T CA 1.552 63.785 62.100 0.222 0.000 1.893 31 T CB -1.036 67.913 68.868 0.136 0.000 1.886 31 T HN 0.865 nan 8.240 nan 0.000 0.833 32 R N -0.744 119.710 120.500 -0.076 0.000 2.317 32 R HA 0.312 4.652 4.340 -0.000 0.000 0.208 32 R C 0.890 177.198 176.300 0.012 0.000 0.914 32 R CA -0.231 55.773 56.100 -0.160 0.000 1.060 32 R CB -0.171 29.756 30.300 -0.622 0.000 1.015 32 R HN 0.536 nan 8.270 nan 0.000 0.498 33 M N 1.682 121.137 119.600 -0.241 0.000 2.390 33 M HA 0.061 4.541 4.480 -0.000 0.000 0.353 33 M C -0.131 176.073 176.300 -0.161 0.000 1.623 33 M CA -0.395 54.637 55.300 -0.448 0.000 1.065 33 M CB 0.355 32.326 32.600 -1.048 0.000 2.025 33 M HN 0.153 nan 8.290 nan 0.000 0.461 34 A N 5.415 128.305 122.820 0.116 0.000 2.351 34 A HA 0.346 4.666 4.320 -0.000 0.000 0.257 34 A C 0.843 178.463 177.584 0.060 0.000 1.087 34 A CA -0.573 51.523 52.037 0.098 0.000 0.798 34 A CB 0.286 19.382 19.000 0.160 0.000 1.033 34 A HN 1.025 nan 8.150 nan 0.000 0.488 35 M N 0.707 120.327 119.600 0.032 0.000 2.229 35 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 35 M C 1.786 178.118 176.300 0.054 0.000 1.063 35 M CA 2.283 57.593 55.300 0.017 0.000 1.114 35 M CB -0.660 31.901 32.600 -0.065 0.000 1.387 35 M HN 0.873 nan 8.290 nan 0.000 0.420 36 E N -1.832 118.405 120.200 0.062 0.000 2.347 36 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 36 E C 0.509 177.170 176.600 0.102 0.000 1.008 36 E CA 1.161 57.603 56.400 0.069 0.000 0.852 36 E CB -0.434 29.303 29.700 0.062 0.000 0.783 36 E HN 0.466 nan 8.360 nan 0.000 0.505 37 D N -0.109 120.370 120.400 0.131 0.000 2.339 37 D HA 0.142 4.782 4.640 -0.000 0.000 0.217 37 D C 1.428 177.856 176.300 0.213 0.000 1.050 37 D CA 0.429 54.520 54.000 0.150 0.000 0.856 37 D CB 0.375 41.285 40.800 0.182 0.000 0.922 37 D HN 0.344 nan 8.370 nan 0.000 0.518 38 M N -0.465 119.264 119.600 0.216 0.000 2.925 38 M HA -0.019 4.461 4.480 -0.000 0.000 0.249 38 M C 2.279 178.678 176.300 0.166 0.000 1.439 38 M CA 0.308 55.781 55.300 0.288 0.000 1.217 38 M CB 0.269 33.121 32.600 0.419 0.000 1.245 38 M HN -0.111 nan 8.290 nan 0.000 0.552 39 V N -0.708 119.304 119.914 0.165 0.000 2.453 39 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 39 V C 1.886 177.973 176.094 -0.012 0.000 1.068 39 V CA 2.297 64.668 62.300 0.118 0.000 1.070 39 V CB -2.224 29.638 31.823 0.064 0.000 0.664 39 V HN 0.548 nan 8.190 nan 0.000 0.461 40 G N -0.741 108.003 108.800 -0.093 0.000 2.708 40 G HA2 0.213 4.172 3.960 -0.000 0.000 0.210 40 G HA3 0.213 4.172 3.960 -0.000 0.000 0.210 40 G C 1.232 175.841 174.900 -0.486 0.000 1.141 40 G CA 0.728 45.706 45.100 -0.203 0.000 0.788 40 G HN 1.052 nan 8.290 nan 0.000 0.531 41 A N -1.262 121.232 122.820 -0.542 0.000 2.419 41 A HA 0.296 4.616 4.320 -0.000 0.000 0.233 41 A C 2.063 179.574 177.584 -0.122 0.000 1.217 41 A CA 0.600 52.371 52.037 -0.442 0.000 0.944 41 A CB -0.322 18.347 19.000 -0.552 0.000 1.025 41 A HN 0.263 nan 8.150 nan 0.000 0.524 42 C N -0.264 119.001 119.300 -0.058 0.000 2.413 42 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 42 C C 3.162 178.152 174.990 -0.000 0.000 1.265 42 C CA 1.371 60.393 59.018 0.007 0.000 1.752 42 C CB -1.159 26.633 27.740 0.086 0.000 1.998 42 C HN 0.709 nan 8.230 nan 0.000 0.489 43 A N 0.715 123.527 122.820 -0.014 0.000 1.877 43 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 43 A C 1.885 179.468 177.584 -0.000 0.000 1.186 43 A CA 2.077 54.110 52.037 -0.007 0.000 0.620 43 A CB -0.607 18.386 19.000 -0.012 0.000 0.822 43 A HN 0.556 nan 8.150 nan 0.000 0.443 44 D N -0.015 120.382 120.400 -0.005 0.000 2.097 44 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 44 D C 1.896 178.226 176.300 0.049 0.000 0.989 44 D CA 1.224 55.233 54.000 0.015 0.000 0.827 44 D CB -0.374 40.435 40.800 0.015 0.000 0.966 44 D HN 0.488 nan 8.370 nan 0.000 0.456 45 I N 1.004 121.623 120.570 0.083 0.000 2.264 45 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 45 I C 2.070 178.285 176.117 0.164 0.000 1.111 45 I CA 1.252 62.664 61.300 0.187 0.000 1.382 45 I CB -0.113 37.945 38.000 0.097 0.000 1.060 45 I HN -0.077 nan 8.210 nan 0.000 0.418 46 D N 0.623 121.060 120.400 0.062 0.000 2.178 46 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 46 D C 1.899 178.209 176.300 0.016 0.000 0.974 46 D CA 1.200 55.219 54.000 0.031 0.000 0.841 46 D CB 0.143 40.945 40.800 0.004 0.000 0.953 46 D HN 0.302 nan 8.370 nan 0.000 0.478 47 A N -0.541 122.281 122.820 0.005 0.000 2.308 47 A HA 0.544 4.864 4.320 -0.000 0.000 0.217 47 A C 2.005 179.551 177.584 -0.064 0.000 1.216 47 A CA 0.724 52.748 52.037 -0.022 0.000 0.864 47 A CB -0.194 18.797 19.000 -0.014 0.000 0.902 47 A HN 0.248 nan 8.150 nan 0.000 0.499 48 A N -0.580 122.181 122.820 -0.098 0.000 1.902 48 A HA 0.321 4.641 4.320 -0.000 0.000 0.217 48 A C 1.858 179.230 177.584 -0.354 0.000 1.181 48 A CA 1.760 53.626 52.037 -0.285 0.000 0.623 48 A CB -0.663 18.014 19.000 -0.538 0.000 0.818 48 A HN 1.786 nan 8.150 nan 0.000 0.443 49 G N -3.248 105.387 108.800 -0.276 0.000 2.145 49 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.145 49 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.145 49 G C -0.086 174.723 174.900 -0.153 0.000 1.017 49 G CA -0.159 44.829 45.100 -0.186 0.000 0.682 49 G HN 0.408 nan 8.290 nan 0.000 0.504 50 Y N -1.222 119.058 120.300 -0.032 0.000 2.457 50 Y HA 0.340 4.890 4.550 -0.000 0.000 0.341 50 Y C 1.534 177.446 175.900 0.019 0.000 1.240 50 Y CA 0.032 58.128 58.100 -0.007 0.000 1.437 50 Y CB 0.566 39.000 38.460 -0.042 0.000 1.328 50 Y HN 0.257 nan 8.280 nan 0.000 0.588 51 W N 1.907 123.271 121.300 0.106 0.000 2.418 51 W HA -0.003 4.656 4.660 -0.000 0.000 0.292 51 W C 0.106 176.619 176.519 -0.010 0.000 1.213 51 W CA 1.315 58.673 57.345 0.022 0.000 1.283 51 W CB 0.175 29.632 29.460 -0.005 0.000 1.119 51 W HN 0.443 nan 8.180 nan 0.000 0.542 52 S N -1.252 114.469 115.700 0.035 0.000 2.588 52 S HA 0.589 5.059 4.470 -0.000 0.000 0.269 52 S C -1.496 173.020 174.600 -0.139 0.000 1.157 52 S CA -1.076 57.006 58.200 -0.196 0.000 0.824 52 S CB 2.079 65.164 63.200 -0.191 0.000 1.126 52 S HN -0.104 nan 8.310 nan 0.000 0.464 53 V N 1.571 121.354 119.914 -0.218 0.000 2.380 53 V HA 0.447 4.566 4.120 -0.000 0.000 0.286 53 V C -0.074 175.865 176.094 -0.257 0.000 1.015 53 V CA -0.498 61.625 62.300 -0.295 0.000 0.834 53 V CB 1.065 32.704 31.823 -0.307 0.000 1.009 53 V HN 0.998 nan 8.190 nan 0.000 0.428 54 E N 3.666 123.722 120.200 -0.240 0.000 2.265 54 E HA 0.151 4.501 4.350 -0.000 0.000 0.272 54 E C 0.499 176.982 176.600 -0.194 0.000 1.067 54 E CA 0.031 56.320 56.400 -0.184 0.000 0.900 54 E CB 0.541 30.134 29.700 -0.178 0.000 1.017 54 E HN 0.969 nan 8.360 nan 0.000 0.431 55 C N 3.374 122.606 119.300 -0.114 0.000 3.722 55 C HA 0.502 4.962 4.460 -0.000 0.000 0.279 55 C C -0.431 174.731 174.990 0.287 0.000 1.819 55 C CA -1.015 57.954 59.018 -0.081 0.000 1.744 55 C CB -1.351 26.138 27.740 -0.419 0.000 3.247 55 C HN 0.773 nan 8.230 nan 0.000 0.549 56 W N 0.544 121.828 121.300 -0.026 0.000 2.961 56 W HA 0.634 5.293 4.660 -0.000 0.000 0.368 56 W C 0.558 177.084 176.519 0.013 0.000 1.213 56 W CA 1.073 58.431 57.345 0.022 0.000 1.173 56 W CB 0.691 30.150 29.460 -0.001 0.000 1.487 56 W HN 1.010 nan 8.180 nan 0.000 0.585 57 G N 1.148 109.747 108.800 -0.334 0.000 2.698 57 G HA2 0.384 4.343 3.960 -0.000 0.000 0.233 57 G HA3 0.384 4.343 3.960 -0.000 0.000 0.233 57 G C 0.622 175.437 174.900 -0.142 0.000 1.352 57 G CA 1.093 46.048 45.100 -0.240 0.000 0.879 57 G HN 2.356 nan 8.290 nan 0.000 0.567 58 G N -2.529 106.235 108.800 -0.060 0.000 2.527 58 G HA2 0.022 3.982 3.960 -0.000 0.000 0.268 58 G HA3 0.022 3.982 3.960 -0.000 0.000 0.268 58 G C 1.096 175.983 174.900 -0.021 0.000 1.175 58 G CA 1.424 46.511 45.100 -0.022 0.000 0.962 58 G HN 2.157 nan 8.290 nan 0.000 0.560 59 T N 1.371 115.918 114.554 -0.011 0.000 3.107 59 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 59 T C 2.504 177.191 174.700 -0.020 0.000 1.096 59 T CA 2.054 64.161 62.100 0.011 0.000 1.012 59 T CB -0.338 68.550 68.868 0.033 0.000 0.977 59 T HN 1.236 nan 8.240 nan 0.000 0.527 60 T N -0.720 113.803 114.554 -0.053 0.000 2.867 60 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 60 T C 1.702 176.307 174.700 -0.159 0.000 1.057 60 T CA 0.647 62.712 62.100 -0.057 0.000 1.136 60 T CB -0.686 68.163 68.868 -0.031 0.000 0.874 60 T HN 0.450 nan 8.240 nan 0.000 0.466 61 Y N 2.230 122.314 120.300 -0.359 0.000 2.114 61 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 61 Y C 2.567 178.165 175.900 -0.503 0.000 1.143 61 Y CA 1.914 59.764 58.100 -0.417 0.000 1.135 61 Y CB -0.322 37.931 38.460 -0.345 0.000 0.980 61 Y HN 0.252 nan 8.280 nan 0.000 0.499 62 D N -1.009 119.227 120.400 -0.273 0.000 2.087 62 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 62 D C 2.324 178.319 176.300 -0.509 0.000 0.993 62 D CA 1.795 55.399 54.000 -0.660 0.000 0.828 62 D CB -0.212 40.405 40.800 -0.306 0.000 0.968 62 D HN 0.386 nan 8.370 nan 0.000 0.448 63 S N -0.726 114.817 115.700 -0.260 0.000 2.374 63 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 63 S C 2.396 176.877 174.600 -0.199 0.000 1.037 63 S CA 1.457 59.584 58.200 -0.121 0.000 1.024 63 S CB -0.612 62.618 63.200 0.050 0.000 0.861 63 S HN 0.481 nan 8.310 nan 0.000 0.456 64 C N 1.754 120.889 119.300 -0.276 0.000 2.413 64 C HA -0.070 4.390 4.460 -0.000 0.000 0.278 64 C C 2.517 177.207 174.990 -0.500 0.000 1.224 64 C CA 1.078 59.898 59.018 -0.330 0.000 1.732 64 C CB -1.486 26.019 27.740 -0.392 0.000 2.050 64 C HN 0.835 nan 8.230 nan 0.000 0.463 65 I N -0.505 119.626 120.570 -0.732 0.000 2.617 65 I HA -0.044 4.126 4.170 -0.000 0.000 0.256 65 I C 2.538 178.315 176.117 -0.566 0.000 1.167 65 I CA 1.476 62.179 61.300 -0.995 0.000 1.469 65 I CB -0.679 36.697 38.000 -1.039 0.000 1.098 65 I HN 0.273 nan 8.210 nan 0.000 0.436 66 R N 0.863 121.020 120.500 -0.571 0.000 2.112 66 R HA 0.093 4.433 4.340 -0.000 0.000 0.216 66 R C 1.513 177.513 176.300 -0.500 0.000 1.080 66 R CA 1.264 56.992 56.100 -0.620 0.000 0.996 66 R CB 0.011 29.718 30.300 -0.989 0.000 0.902 66 R HN 0.433 nan 8.270 nan 0.000 0.449 67 F N -1.081 118.800 119.950 -0.116 0.000 2.789 67 F HA 0.223 4.750 4.527 -0.000 0.000 0.320 67 F C 1.276 177.053 175.800 -0.039 0.000 1.079 67 F CA -0.368 57.599 58.000 -0.055 0.000 1.205 67 F CB 0.742 39.707 39.000 -0.058 0.000 1.046 67 F HN -0.113 nan 8.300 nan 0.000 0.586 68 L N -0.644 120.622 121.223 0.072 0.000 2.766 68 L HA 0.248 4.588 4.340 -0.000 0.000 0.242 68 L C 0.299 177.144 176.870 -0.042 0.000 1.136 68 L CA -0.041 54.821 54.840 0.037 0.000 0.933 68 L CB -0.199 41.861 42.059 0.003 0.000 1.241 68 L HN 0.119 nan 8.230 nan 0.000 0.522 69 N N 1.977 120.654 118.700 -0.038 0.000 2.735 69 N HA -0.263 4.477 4.740 -0.000 0.000 0.248 69 N C -0.004 175.585 175.510 0.132 0.000 1.083 69 N CA 0.692 53.794 53.050 0.086 0.000 0.703 69 N CB -0.628 37.815 38.487 -0.073 0.000 1.005 69 N HN 0.648 nan 8.380 nan 0.000 0.550 70 E N -0.079 120.089 120.200 -0.053 0.000 2.212 70 E HA 0.255 4.604 4.350 -0.000 0.000 0.268 70 E C -1.428 175.094 176.600 -0.131 0.000 0.902 70 E CA -0.872 55.515 56.400 -0.022 0.000 0.779 70 E CB 0.849 30.499 29.700 -0.083 0.000 1.172 70 E HN 0.242 nan 8.360 nan 0.000 0.409 71 D N 4.815 125.294 120.400 0.132 0.000 2.339 71 D HA 0.148 4.788 4.640 -0.000 0.000 0.241 71 D C -1.808 174.490 176.300 -0.004 0.000 1.183 71 D CA -2.304 51.804 54.000 0.179 0.000 0.859 71 D CB 1.659 42.699 40.800 0.400 0.000 1.067 71 D HN 0.264 nan 8.370 nan 0.000 0.484 72 P HA -0.148 nan 4.420 nan 0.000 0.216 72 P C 1.061 178.413 177.300 0.088 0.000 1.154 72 P CA 1.350 64.305 63.100 -0.241 0.000 0.865 72 P CB 0.033 31.126 31.700 -1.011 0.000 0.789 73 W N -0.057 121.365 121.300 0.203 0.000 2.358 73 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 73 W C 2.561 179.077 176.519 -0.005 0.000 1.208 73 W CA 0.998 58.421 57.345 0.130 0.000 1.274 73 W CB -0.947 28.589 29.460 0.127 0.000 1.138 73 W HN -0.009 nan 8.180 nan 0.000 0.515 74 E N 0.864 121.186 120.200 0.203 0.000 2.106 74 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 74 E C 2.149 178.718 176.600 -0.051 0.000 0.984 74 E CA 1.402 57.844 56.400 0.069 0.000 0.806 74 E CB -0.286 29.455 29.700 0.068 0.000 0.750 74 E HN 0.176 nan 8.360 nan 0.000 0.458 75 R N -0.249 120.209 120.500 -0.071 0.000 2.096 75 R HA -0.124 4.215 4.340 -0.000 0.000 0.235 75 R C 2.186 178.295 176.300 -0.319 0.000 1.127 75 R CA 1.347 57.302 56.100 -0.242 0.000 0.968 75 R CB -0.368 29.861 30.300 -0.119 0.000 0.861 75 R HN 0.314 nan 8.270 nan 0.000 0.440 76 L N 1.145 122.218 121.223 -0.250 0.000 2.093 76 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 76 L C 2.009 178.736 176.870 -0.238 0.000 1.085 76 L CA 1.681 56.241 54.840 -0.466 0.000 0.755 76 L CB -0.354 41.053 42.059 -1.086 0.000 0.904 76 L HN 0.086 nan 8.230 nan 0.000 0.435 77 R N -1.377 119.034 120.500 -0.149 0.000 2.115 77 R HA -0.050 4.289 4.340 -0.000 0.000 0.226 77 R C 1.994 178.248 176.300 -0.077 0.000 1.100 77 R CA 1.553 57.603 56.100 -0.083 0.000 0.980 77 R CB -0.434 29.844 30.300 -0.036 0.000 0.875 77 R HN 0.396 nan 8.270 nan 0.000 0.445 78 T N 0.632 115.107 114.554 -0.131 0.000 2.777 78 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 78 T C 1.532 176.215 174.700 -0.029 0.000 1.040 78 T CA 1.140 63.167 62.100 -0.122 0.000 1.141 78 T CB -0.249 68.488 68.868 -0.217 0.000 0.868 78 T HN 0.164 nan 8.240 nan 0.000 0.444 79 F N 1.153 121.069 119.950 -0.057 0.000 2.134 79 F HA -0.110 4.417 4.527 -0.000 0.000 0.299 79 F C 2.825 178.578 175.800 -0.078 0.000 1.097 79 F CA 0.662 58.624 58.000 -0.062 0.000 1.264 79 F CB -0.102 38.854 39.000 -0.073 0.000 1.001 79 F HN -0.015 nan 8.300 nan 0.000 0.479 80 R N 1.372 121.925 120.500 0.088 0.000 2.127 80 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 80 R C 1.887 178.192 176.300 0.008 0.000 1.134 80 R CA 1.654 57.758 56.100 0.006 0.000 0.975 80 R CB -0.459 29.816 30.300 -0.041 0.000 0.865 80 R HN 0.201 nan 8.270 nan 0.000 0.447 81 K N -0.514 119.895 120.400 0.016 0.000 2.098 81 K HA 0.048 4.367 4.320 -0.000 0.000 0.203 81 K C 1.804 178.418 176.600 0.022 0.000 1.051 81 K CA 0.883 57.174 56.287 0.008 0.000 0.957 81 K CB 0.061 32.558 32.500 -0.004 0.000 0.738 81 K HN 0.215 nan 8.250 nan 0.000 0.447 82 L N 0.335 121.590 121.223 0.053 0.000 2.240 82 L HA 0.063 4.403 4.340 -0.000 0.000 0.211 82 L C 1.057 177.954 176.870 0.046 0.000 1.106 82 L CA 0.547 55.422 54.840 0.059 0.000 0.793 82 L CB 0.098 42.219 42.059 0.104 0.000 0.927 82 L HN 0.192 nan 8.230 nan 0.000 0.446 83 M N 0.696 120.321 119.600 0.043 0.000 3.003 83 M HA 0.194 4.674 4.480 -0.000 0.000 0.221 83 M C -1.654 174.636 176.300 -0.017 0.000 1.126 83 M CA -1.265 54.036 55.300 0.002 0.000 0.778 83 M CB 1.059 33.642 32.600 -0.029 0.000 1.380 83 M HN -0.198 nan 8.290 nan 0.000 0.508 84 P HA -0.150 nan 4.420 nan 0.000 0.218 84 P C 0.321 177.600 177.300 -0.036 0.000 1.148 84 P CA 1.582 64.668 63.100 -0.023 0.000 0.822 84 P CB 0.094 31.784 31.700 -0.015 0.000 0.784 85 N N -0.746 117.932 118.700 -0.037 0.000 2.336 85 N HA 0.058 4.798 4.740 -0.000 0.000 0.189 85 N C 0.374 175.843 175.510 -0.069 0.000 1.113 85 N CA 0.278 53.300 53.050 -0.046 0.000 0.858 85 N CB 0.192 38.659 38.487 -0.035 0.000 0.970 85 N HN 0.123 nan 8.380 nan 0.000 0.471 86 S N 0.528 116.181 115.700 -0.077 0.000 2.617 86 S HA 0.370 4.840 4.470 -0.000 0.000 0.283 86 S C 0.415 174.917 174.600 -0.164 0.000 1.189 86 S CA -0.692 57.441 58.200 -0.112 0.000 1.036 86 S CB 1.834 64.978 63.200 -0.094 0.000 1.014 86 S HN 0.071 nan 8.310 nan 0.000 0.522 87 R N 1.738 122.090 120.500 -0.247 0.000 2.210 87 R HA 0.298 4.638 4.340 -0.000 0.000 0.338 87 R C -0.614 175.518 176.300 -0.280 0.000 1.062 87 R CA -0.177 55.735 56.100 -0.313 0.000 0.902 87 R CB 0.041 30.011 30.300 -0.551 0.000 1.050 87 R HN 0.475 nan 8.270 nan 0.000 0.461 88 L N 2.805 123.894 121.223 -0.224 0.000 2.371 88 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 88 L C 0.327 177.062 176.870 -0.225 0.000 1.124 88 L CA -0.062 54.652 54.840 -0.210 0.000 0.816 88 L CB 0.770 42.721 42.059 -0.180 0.000 1.129 88 L HN 0.528 nan 8.230 nan 0.000 0.448 89 Q N 3.449 123.135 119.800 -0.190 0.000 2.423 89 Q HA 0.745 5.084 4.340 -0.000 0.000 0.278 89 Q C -1.137 174.801 176.000 -0.103 0.000 1.097 89 Q CA -0.779 54.927 55.803 -0.162 0.000 0.809 89 Q CB 2.776 31.446 28.738 -0.114 0.000 1.391 89 Q HN 0.677 nan 8.270 nan 0.000 0.428 90 M N 1.115 120.663 119.600 -0.087 0.000 2.664 90 M HA 0.604 5.083 4.480 -0.000 0.000 0.279 90 M C -2.029 174.291 176.300 0.033 0.000 1.275 90 M CA -1.186 54.128 55.300 0.022 0.000 0.829 90 M CB 1.792 34.481 32.600 0.148 0.000 1.727 90 M HN 0.550 nan 8.290 nan 0.000 0.459 91 L N 2.452 123.706 121.223 0.052 0.000 2.305 91 L HA 0.763 5.103 4.340 -0.000 0.000 0.284 91 L C -2.004 174.971 176.870 0.176 0.000 1.013 91 L CA -0.555 54.333 54.840 0.079 0.000 0.819 91 L CB 1.687 43.725 42.059 -0.035 0.000 1.227 91 L HN 0.779 nan 8.230 nan 0.000 0.417 92 L N 4.982 126.364 121.223 0.265 0.000 2.381 92 L HA 0.547 4.886 4.340 -0.000 0.000 0.274 92 L C -0.260 176.659 176.870 0.082 0.000 0.988 92 L CA -0.381 54.558 54.840 0.165 0.000 0.824 92 L CB 1.600 43.800 42.059 0.234 0.000 1.263 92 L HN 0.697 nan 8.230 nan 0.000 0.410 93 R N 4.221 124.616 120.500 -0.174 0.000 3.701 93 R HA 0.433 4.773 4.340 -0.000 0.000 0.210 93 R C 1.016 177.012 176.300 -0.507 0.000 1.598 93 R CA 0.741 56.422 56.100 -0.700 0.000 1.427 93 R CB -0.566 29.285 30.300 -0.748 0.000 1.339 93 R HN 1.011 nan 8.270 nan 0.000 0.720 94 G N 1.781 110.376 108.800 -0.342 0.000 2.698 94 G HA2 -0.490 3.470 3.960 -0.000 0.000 0.346 94 G HA3 -0.490 3.470 3.960 -0.000 0.000 0.346 94 G C 0.657 175.415 174.900 -0.236 0.000 1.287 94 G CA 0.852 45.806 45.100 -0.243 0.000 0.990 94 G HN 0.575 nan 8.290 nan 0.000 0.545 95 Q N 0.359 119.990 119.800 -0.281 0.000 2.437 95 Q HA 0.087 4.427 4.340 -0.000 0.000 0.210 95 Q C 2.226 178.064 176.000 -0.270 0.000 0.972 95 Q CA 1.914 57.568 55.803 -0.249 0.000 0.903 95 Q CB -0.304 28.246 28.738 -0.313 0.000 0.967 95 Q HN 0.617 nan 8.270 nan 0.000 0.486 96 N N -1.306 117.170 118.700 -0.373 0.000 2.373 96 N HA 0.168 4.907 4.740 -0.000 0.000 0.181 96 N C -0.012 175.377 175.510 -0.202 0.000 1.082 96 N CA 0.324 53.216 53.050 -0.262 0.000 0.885 96 N CB 0.259 38.536 38.487 -0.351 0.000 0.977 96 N HN 0.112 nan 8.380 nan 0.000 0.462 97 L N -1.354 119.685 121.223 -0.306 0.000 6.328 97 L HA -0.376 3.964 4.340 -0.000 0.000 0.053 97 L C 0.432 177.027 176.870 -0.458 0.000 2.032 97 L CA 1.151 55.694 54.840 -0.494 0.000 1.701 97 L CB -0.831 40.786 42.059 -0.737 0.000 2.706 97 L HN 0.073 nan 8.230 nan 0.000 1.012 98 L N 0.103 120.970 121.223 -0.594 0.000 2.910 98 L HA 0.319 4.659 4.340 -0.000 0.000 0.252 98 L C 0.993 177.659 176.870 -0.339 0.000 1.195 98 L CA 0.249 54.857 54.840 -0.386 0.000 1.003 98 L CB 0.119 41.916 42.059 -0.436 0.000 1.328 98 L HN 0.570 nan 8.230 nan 0.000 0.540 99 G N -0.417 108.176 108.800 -0.345 0.000 2.510 99 G HA2 0.101 4.061 3.960 -0.000 0.000 0.280 99 G HA3 0.101 4.061 3.960 -0.000 0.000 0.280 99 G C 0.121 174.926 174.900 -0.159 0.000 1.386 99 G CA -0.243 44.688 45.100 -0.281 0.000 1.047 99 G HN 0.322 nan 8.290 nan 0.000 0.527 100 Y N -1.396 118.792 120.300 -0.187 0.000 2.458 100 Y HA 0.481 5.031 4.550 -0.000 0.000 0.256 100 Y C 0.831 176.633 175.900 -0.163 0.000 1.159 100 Y CA -0.618 57.384 58.100 -0.163 0.000 1.261 100 Y CB -0.004 38.364 38.460 -0.154 0.000 1.119 100 Y HN 0.560 nan 8.280 nan 0.000 0.524 101 R N -1.561 118.456 120.500 -0.805 0.000 2.756 101 R HA 0.351 4.691 4.340 -0.000 0.000 0.273 101 R C -1.390 174.545 176.300 -0.608 0.000 1.030 101 R CA -0.911 54.796 56.100 -0.654 0.000 0.887 101 R CB 0.736 30.517 30.300 -0.865 0.000 1.274 101 R HN 0.159 nan 8.270 nan 0.000 0.461 102 H N -0.101 118.677 119.070 -0.486 0.000 2.707 102 H HA 0.200 4.755 4.556 -0.000 0.000 0.359 102 H C -0.788 174.249 175.328 -0.485 0.000 1.113 102 H CA 0.367 56.226 56.048 -0.316 0.000 1.422 102 H CB 0.698 30.375 29.762 -0.143 0.000 1.443 102 H HN 0.306 nan 8.280 nan 0.000 0.591 103 Y N 0.327 120.604 120.300 -0.038 0.000 2.524 103 Y HA 0.056 4.606 4.550 -0.000 0.000 0.344 103 Y C 0.744 176.658 175.900 0.023 0.000 1.012 103 Y CA -1.002 57.084 58.100 -0.024 0.000 1.068 103 Y CB 0.976 39.410 38.460 -0.044 0.000 1.249 103 Y HN 0.633 nan 8.280 nan 0.000 0.468 104 N N 1.667 120.488 118.700 0.202 0.000 2.395 104 N HA -0.113 4.627 4.740 -0.000 0.000 0.246 104 N C 0.387 175.980 175.510 0.139 0.000 1.246 104 N CA 0.323 53.452 53.050 0.132 0.000 0.879 104 N CB 0.783 39.345 38.487 0.126 0.000 1.098 104 N HN 0.773 nan 8.380 nan 0.000 0.444 105 D N 2.051 122.491 120.400 0.067 0.000 2.170 105 D HA -0.275 4.365 4.640 -0.000 0.000 0.193 105 D C 1.506 177.907 176.300 0.169 0.000 1.004 105 D CA 1.753 55.807 54.000 0.090 0.000 0.860 105 D CB -0.050 40.585 40.800 -0.276 0.000 0.931 105 D HN 0.820 nan 8.370 nan 0.000 0.448 106 E N 0.660 120.925 120.200 0.108 0.000 2.160 106 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 106 E C 2.074 178.707 176.600 0.054 0.000 0.991 106 E CA 1.005 57.450 56.400 0.074 0.000 0.810 106 E CB -0.287 29.459 29.700 0.075 0.000 0.742 106 E HN 0.139 nan 8.360 nan 0.000 0.466 107 V N 1.215 121.217 119.914 0.146 0.000 2.453 107 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 107 V C 2.432 178.583 176.094 0.097 0.000 1.048 107 V CA 1.146 63.539 62.300 0.156 0.000 1.049 107 V CB -0.071 31.865 31.823 0.188 0.000 0.672 107 V HN 0.182 nan 8.190 nan 0.000 0.457 108 V N 0.385 120.362 119.914 0.105 0.000 2.295 108 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 108 V C 2.380 178.505 176.094 0.052 0.000 1.049 108 V CA 2.247 64.598 62.300 0.084 0.000 1.024 108 V CB -0.708 31.175 31.823 0.100 0.000 0.648 108 V HN 0.543 nan 8.190 nan 0.000 0.447 109 D N -0.056 120.353 120.400 0.016 0.000 2.126 109 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 109 D C 2.380 178.637 176.300 -0.071 0.000 1.001 109 D CA 1.659 55.623 54.000 -0.059 0.000 0.841 109 D CB -0.289 40.492 40.800 -0.032 0.000 0.949 109 D HN 0.416 nan 8.370 nan 0.000 0.446 110 R N -0.495 119.935 120.500 -0.116 0.000 2.073 110 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 110 R C 2.420 178.720 176.300 0.000 0.000 1.134 110 R CA 0.809 56.800 56.100 -0.182 0.000 0.952 110 R CB -0.590 29.417 30.300 -0.489 0.000 0.850 110 R HN 0.183 nan 8.270 nan 0.000 0.433 111 F N 1.298 121.269 119.950 0.034 0.000 2.095 111 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 111 F C 2.119 178.078 175.800 0.265 0.000 1.104 111 F CA 1.494 59.627 58.000 0.222 0.000 1.232 111 F CB -0.256 38.842 39.000 0.163 0.000 0.987 111 F HN -0.260 nan 8.300 nan 0.000 0.475 112 V N 0.405 120.491 119.914 0.286 0.000 2.261 112 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 112 V C 2.325 178.434 176.094 0.024 0.000 1.047 112 V CA 2.253 64.614 62.300 0.102 0.000 1.015 112 V CB -0.777 30.954 31.823 -0.152 0.000 0.642 112 V HN 0.401 nan 8.190 nan 0.000 0.446 113 D N 0.142 120.527 120.400 -0.026 0.000 2.160 113 D HA -0.230 4.410 4.640 -0.000 0.000 0.189 113 D C 2.219 178.515 176.300 -0.006 0.000 1.003 113 D CA 1.564 55.539 54.000 -0.041 0.000 0.846 113 D CB -0.019 40.731 40.800 -0.083 0.000 0.949 113 D HN 0.249 nan 8.370 nan 0.000 0.446 114 K N 0.475 120.859 120.400 -0.026 0.000 2.097 114 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 114 K C 2.380 179.078 176.600 0.164 0.000 1.049 114 K CA 0.379 56.636 56.287 -0.050 0.000 0.933 114 K CB -0.504 31.812 32.500 -0.308 0.000 0.717 114 K HN 0.077 nan 8.250 nan 0.000 0.442 115 S N 1.213 117.063 115.700 0.250 0.000 2.348 115 S HA -0.146 4.324 4.470 -0.000 0.000 0.221 115 S C 2.151 176.880 174.600 0.214 0.000 1.033 115 S CA 1.345 59.699 58.200 0.257 0.000 1.010 115 S CB -0.274 63.202 63.200 0.460 0.000 0.891 115 S HN 0.447 nan 8.310 nan 0.000 0.442 116 A N 1.445 124.462 122.820 0.327 0.000 1.865 116 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 116 A C 2.049 179.689 177.584 0.094 0.000 1.191 116 A CA 1.837 54.024 52.037 0.251 0.000 0.623 116 A CB -0.759 18.353 19.000 0.186 0.000 0.826 116 A HN 0.594 nan 8.150 nan 0.000 0.444 117 E N -0.228 120.006 120.200 0.058 0.000 2.160 117 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 117 E C 0.947 177.547 176.600 0.000 0.000 0.991 117 E CA 1.167 57.574 56.400 0.011 0.000 0.810 117 E CB -0.110 29.578 29.700 -0.019 0.000 0.742 117 E HN 0.564 nan 8.360 nan 0.000 0.466 118 N N -0.936 117.772 118.700 0.013 0.000 2.322 118 N HA 0.034 4.774 4.740 -0.000 0.000 0.194 118 N C 0.608 176.074 175.510 -0.072 0.000 1.126 118 N CA 0.869 53.910 53.050 -0.015 0.000 0.845 118 N CB 1.373 39.889 38.487 0.048 0.000 0.976 118 N HN 0.350 nan 8.380 nan 0.000 0.475 119 G N 0.509 109.275 108.800 -0.056 0.000 2.211 119 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.201 119 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.201 119 G C 0.073 174.906 174.900 -0.112 0.000 0.997 119 G CA -0.211 44.842 45.100 -0.079 0.000 0.652 119 G HN 0.231 nan 8.290 nan 0.000 0.500 120 M N 2.254 121.768 119.600 -0.143 0.000 2.239 120 M HA 0.470 4.950 4.480 -0.000 0.000 0.348 120 M C 0.809 177.024 176.300 -0.142 0.000 1.239 120 M CA 0.075 55.223 55.300 -0.253 0.000 1.114 120 M CB 0.608 32.940 32.600 -0.448 0.000 1.641 120 M HN 0.122 nan 8.290 nan 0.000 0.453 121 D N 2.821 123.110 120.400 -0.185 0.000 2.525 121 D HA 0.152 4.792 4.640 -0.000 0.000 0.248 121 D C -0.369 175.932 176.300 0.002 0.000 1.000 121 D CA 0.685 54.651 54.000 -0.056 0.000 0.923 121 D CB 0.439 41.170 40.800 -0.114 0.000 1.101 121 D HN 0.393 nan 8.370 nan 0.000 0.493 122 V N 2.054 121.879 119.914 -0.148 0.000 2.409 122 V HA 0.299 4.419 4.120 -0.000 0.000 0.291 122 V C -0.994 175.047 176.094 -0.089 0.000 1.020 122 V CA -0.634 61.652 62.300 -0.024 0.000 0.848 122 V CB 1.387 33.123 31.823 -0.145 0.000 0.990 122 V HN -0.099 nan 8.190 nan 0.000 0.430 123 F N 3.986 124.024 119.950 0.146 0.000 2.361 123 F HA 0.515 5.042 4.527 -0.000 0.000 0.364 123 F C 0.666 176.558 175.800 0.153 0.000 1.117 123 F CA -0.568 57.525 58.000 0.154 0.000 1.071 123 F CB 1.176 40.270 39.000 0.157 0.000 1.188 123 F HN 0.353 nan 8.300 nan 0.000 0.464 124 R N 4.004 124.647 120.500 0.240 0.000 2.296 124 R HA 0.497 4.837 4.340 -0.000 0.000 0.327 124 R C -1.405 175.045 176.300 0.251 0.000 1.137 124 R CA -0.245 55.970 56.100 0.192 0.000 1.020 124 R CB 0.270 30.613 30.300 0.070 0.000 1.110 124 R HN 0.501 nan 8.270 nan 0.000 0.499 125 V N 6.792 126.855 119.914 0.248 0.000 2.498 125 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 125 V C -0.098 176.153 176.094 0.261 0.000 1.048 125 V CA -0.179 62.251 62.300 0.218 0.000 0.967 125 V CB 0.593 32.494 31.823 0.130 0.000 0.988 125 V HN 0.696 nan 8.190 nan 0.000 0.473 126 F N 1.987 121.943 119.950 0.010 0.000 2.685 126 F HA 0.855 5.382 4.527 -0.000 0.000 0.315 126 F C -1.339 174.453 175.800 -0.014 0.000 1.126 126 F CA -1.161 56.842 58.000 0.005 0.000 0.950 126 F CB 2.130 41.131 39.000 0.002 0.000 1.360 126 F HN 0.441 nan 8.300 nan 0.000 0.469 127 D N 0.751 121.079 120.400 -0.121 0.000 2.964 127 D HA 0.587 5.227 4.640 -0.000 0.000 0.234 127 D C 0.372 176.681 176.300 0.014 0.000 1.223 127 D CA -0.128 53.724 54.000 -0.248 0.000 0.889 127 D CB 2.419 43.156 40.800 -0.105 0.000 1.609 127 D HN 0.901 nan 8.370 nan 0.000 0.523 128 A N 3.743 126.539 122.820 -0.040 0.000 1.940 128 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 128 A C 1.752 179.396 177.584 0.100 0.000 1.176 128 A CA 1.209 53.309 52.037 0.104 0.000 0.631 128 A CB -0.388 18.630 19.000 0.031 0.000 0.814 128 A HN 0.690 nan 8.150 nan 0.000 0.446 129 M N -1.414 118.228 119.600 0.071 0.000 2.595 129 M HA 0.069 4.549 4.480 -0.000 0.000 0.248 129 M C 0.114 176.485 176.300 0.119 0.000 1.119 129 M CA 0.391 55.749 55.300 0.097 0.000 1.079 129 M CB -0.915 31.737 32.600 0.087 0.000 1.472 129 M HN 0.466 nan 8.290 nan 0.000 0.501 130 N N 1.617 120.389 118.700 0.121 0.000 2.776 130 N HA -0.148 4.592 4.740 -0.000 0.000 0.249 130 N C -0.426 175.144 175.510 0.101 0.000 1.111 130 N CA 0.605 53.739 53.050 0.142 0.000 0.711 130 N CB -1.323 37.284 38.487 0.200 0.000 1.065 130 N HN 0.381 nan 8.380 nan 0.000 0.556 131 D N 0.100 120.541 120.400 0.068 0.000 2.411 131 D HA 0.254 4.894 4.640 -0.000 0.000 0.225 131 D C -1.419 174.902 176.300 0.036 0.000 1.156 131 D CA -2.027 52.003 54.000 0.050 0.000 0.874 131 D CB 0.930 41.759 40.800 0.049 0.000 1.034 131 D HN 0.077 nan 8.370 nan 0.000 0.502 132 P HA -0.148 nan 4.420 nan 0.000 0.218 132 P C 1.073 178.385 177.300 0.019 0.000 1.146 132 P CA 1.079 64.197 63.100 0.030 0.000 0.820 132 P CB 0.266 31.984 31.700 0.030 0.000 0.778 133 R N -1.142 119.368 120.500 0.018 0.000 2.148 133 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 133 R C 1.690 178.000 176.300 0.016 0.000 1.103 133 R CA 0.906 57.016 56.100 0.016 0.000 0.983 133 R CB -0.616 29.692 30.300 0.012 0.000 0.874 133 R HN 0.263 nan 8.270 nan 0.000 0.451 134 N N 0.258 118.963 118.700 0.007 0.000 2.457 134 N HA -0.013 4.726 4.740 -0.000 0.000 0.180 134 N C 1.453 176.922 175.510 -0.068 0.000 1.050 134 N CA 0.993 54.022 53.050 -0.035 0.000 0.906 134 N CB 0.206 38.653 38.487 -0.066 0.000 0.968 134 N HN 0.291 nan 8.380 nan 0.000 0.445 135 M N -0.339 119.241 119.600 -0.033 0.000 2.516 135 M HA 0.191 4.670 4.480 -0.000 0.000 0.259 135 M C 2.133 178.432 176.300 -0.001 0.000 1.146 135 M CA 0.055 55.339 55.300 -0.028 0.000 1.122 135 M CB 0.084 32.684 32.600 0.000 0.000 1.341 135 M HN -0.001 nan 8.290 nan 0.000 0.478 136 A N 0.687 123.517 122.820 0.017 0.000 1.870 136 A HA -0.305 4.015 4.320 -0.000 0.000 0.219 136 A C 1.907 179.528 177.584 0.061 0.000 1.224 136 A CA 2.643 54.701 52.037 0.035 0.000 0.650 136 A CB -1.252 17.772 19.000 0.041 0.000 0.836 136 A HN 0.522 nan 8.150 nan 0.000 0.454 137 H N -0.363 118.688 119.070 -0.030 0.000 2.389 137 H HA 0.113 4.669 4.556 -0.000 0.000 0.299 137 H C 2.249 177.552 175.328 -0.041 0.000 1.081 137 H CA 1.624 57.653 56.048 -0.032 0.000 1.345 137 H CB -0.462 29.285 29.762 -0.025 0.000 1.393 137 H HN 0.427 nan 8.280 nan 0.000 0.520 138 A N 0.731 123.498 122.820 -0.088 0.000 1.883 138 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 138 A C 2.377 179.867 177.584 -0.156 0.000 1.186 138 A CA 1.980 53.934 52.037 -0.139 0.000 0.624 138 A CB -0.544 18.416 19.000 -0.066 0.000 0.822 138 A HN 0.389 nan 8.150 nan 0.000 0.444 139 M N -0.398 119.151 119.600 -0.087 0.000 2.080 139 M HA -0.184 4.296 4.480 -0.000 0.000 0.260 139 M C 2.554 178.788 176.300 -0.110 0.000 1.068 139 M CA 1.756 57.016 55.300 -0.066 0.000 1.109 139 M CB -1.597 30.989 32.600 -0.024 0.000 1.342 139 M HN 0.505 nan 8.290 nan 0.000 0.405 140 A N 0.484 123.231 122.820 -0.123 0.000 1.865 140 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 140 A C 2.481 179.951 177.584 -0.191 0.000 1.191 140 A CA 2.543 54.505 52.037 -0.125 0.000 0.623 140 A CB -1.130 17.823 19.000 -0.079 0.000 0.826 140 A HN 0.499 nan 8.150 nan 0.000 0.444 141 A N -0.669 121.963 122.820 -0.313 0.000 1.917 141 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 141 A C 2.262 179.686 177.584 -0.267 0.000 1.182 141 A CA 2.041 53.899 52.037 -0.299 0.000 0.633 141 A CB -1.070 17.722 19.000 -0.348 0.000 0.819 141 A HN 0.448 nan 8.150 nan 0.000 0.448 142 V N 0.345 120.073 119.914 -0.311 0.000 2.295 142 V HA -0.255 3.864 4.120 -0.000 0.000 0.246 142 V C 2.582 178.578 176.094 -0.164 0.000 1.049 142 V CA 2.234 64.321 62.300 -0.355 0.000 1.024 142 V CB -0.593 31.036 31.823 -0.323 0.000 0.648 142 V HN 0.439 nan 8.190 nan 0.000 0.447 143 K N 0.391 120.723 120.400 -0.114 0.000 2.057 143 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 143 K C 2.097 178.659 176.600 -0.063 0.000 1.049 143 K CA 1.538 57.784 56.287 -0.067 0.000 0.931 143 K CB -0.549 31.916 32.500 -0.058 0.000 0.714 143 K HN 0.466 nan 8.250 nan 0.000 0.440 144 K N 0.907 121.257 120.400 -0.083 0.000 2.044 144 K HA -0.124 4.196 4.320 -0.000 0.000 0.210 144 K C 1.619 178.184 176.600 -0.058 0.000 1.049 144 K CA 1.622 57.868 56.287 -0.068 0.000 0.927 144 K CB -0.122 32.329 32.500 -0.082 0.000 0.713 144 K HN 0.093 nan 8.250 nan 0.000 0.443 145 A N 0.226 123.001 122.820 -0.076 0.000 2.261 145 A HA 0.191 4.510 4.320 -0.000 0.000 0.208 145 A C 1.146 178.724 177.584 -0.010 0.000 1.223 145 A CA 0.772 52.781 52.037 -0.047 0.000 0.833 145 A CB -0.655 18.307 19.000 -0.063 0.000 0.830 145 A HN 0.621 nan 8.150 nan 0.000 0.483 146 G N -0.511 108.282 108.800 -0.011 0.000 2.203 146 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.263 146 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.263 146 G C 0.215 175.144 174.900 0.049 0.000 1.012 146 G CA 0.817 45.924 45.100 0.012 0.000 0.749 146 G HN 0.450 nan 8.290 nan 0.000 0.512 147 K N -0.523 119.920 120.400 0.072 0.000 2.210 147 K HA 0.454 4.774 4.320 -0.000 0.000 0.236 147 K C 0.049 176.768 176.600 0.199 0.000 1.016 147 K CA -1.066 55.327 56.287 0.178 0.000 0.913 147 K CB 0.766 33.466 32.500 0.334 0.000 1.141 147 K HN 0.407 nan 8.250 nan 0.000 0.462 148 H N -0.210 118.968 119.070 0.180 0.000 2.819 148 H HA 0.336 4.892 4.556 -0.000 0.000 0.303 148 H C -0.839 174.619 175.328 0.217 0.000 1.058 148 H CA -0.235 55.916 56.048 0.173 0.000 1.471 148 H CB 0.601 30.468 29.762 0.175 0.000 1.480 148 H HN 0.554 nan 8.280 nan 0.000 0.517 149 A N 5.337 128.238 122.820 0.134 0.000 2.253 149 A HA 0.200 4.520 4.320 -0.000 0.000 0.316 149 A C -0.361 177.354 177.584 0.219 0.000 1.327 149 A CA -0.698 51.448 52.037 0.182 0.000 0.917 149 A CB 0.535 19.557 19.000 0.038 0.000 1.162 149 A HN 0.859 nan 8.150 nan 0.000 0.535 150 Q N 2.816 122.815 119.800 0.332 0.000 2.400 150 Q HA 0.491 4.831 4.340 -0.000 0.000 0.255 150 Q C 0.300 176.402 176.000 0.170 0.000 1.008 150 Q CA -0.370 55.597 55.803 0.273 0.000 0.841 150 Q CB 1.082 29.991 28.738 0.284 0.000 1.220 150 Q HN 0.849 nan 8.270 nan 0.000 0.474 151 G N 2.506 111.375 108.800 0.114 0.000 2.406 151 G HA2 0.295 4.255 3.960 -0.000 0.000 0.251 151 G HA3 0.295 4.255 3.960 -0.000 0.000 0.251 151 G C -0.533 174.428 174.900 0.101 0.000 1.271 151 G CA -0.087 45.070 45.100 0.094 0.000 0.859 151 G HN 0.556 nan 8.290 nan 0.000 0.540 152 T N 2.070 116.702 114.554 0.130 0.000 2.823 152 T HA 0.460 4.810 4.350 -0.000 0.000 0.279 152 T C 0.073 174.862 174.700 0.149 0.000 0.998 152 T CA -0.169 62.010 62.100 0.132 0.000 0.994 152 T CB 1.347 70.320 68.868 0.174 0.000 0.960 152 T HN 0.320 nan 8.240 nan 0.000 0.448 153 I N 2.258 122.903 120.570 0.125 0.000 2.359 153 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 153 I C -0.119 176.085 176.117 0.146 0.000 1.018 153 I CA -0.641 60.756 61.300 0.162 0.000 1.173 153 I CB 0.851 38.944 38.000 0.155 0.000 1.326 153 I HN 0.586 nan 8.210 nan 0.000 0.462 154 C N 6.615 126.023 119.300 0.179 0.000 2.520 154 C HA 0.106 4.566 4.460 -0.000 0.000 0.369 154 C C 0.437 175.510 174.990 0.137 0.000 1.244 154 C CA -0.383 58.716 59.018 0.135 0.000 1.677 154 C CB -1.371 26.455 27.740 0.142 0.000 2.324 154 C HN 0.512 nan 8.230 nan 0.000 0.557 155 Y N 3.196 123.472 120.300 -0.039 0.000 2.457 155 Y HA 0.472 5.022 4.550 -0.000 0.000 0.341 155 Y C 0.756 176.632 175.900 -0.040 0.000 1.240 155 Y CA 1.223 59.258 58.100 -0.110 0.000 1.437 155 Y CB 0.684 39.038 38.460 -0.178 0.000 1.328 155 Y HN 0.723 nan 8.280 nan 0.000 0.588 156 T N 4.909 118.897 114.554 -0.943 0.000 2.722 156 T HA 0.461 4.811 4.350 -0.000 0.000 0.314 156 T C -1.876 172.368 174.700 -0.761 0.000 1.675 156 T CA -0.782 60.907 62.100 -0.684 0.000 1.003 156 T CB 0.233 68.837 68.868 -0.440 0.000 1.602 156 T HN 0.548 nan 8.240 nan 0.000 0.496 157 I N 3.222 123.565 120.570 -0.379 0.000 2.406 157 I HA 0.662 4.832 4.170 -0.000 0.000 0.290 157 I C -0.165 175.883 176.117 -0.116 0.000 0.999 157 I CA -0.427 60.766 61.300 -0.178 0.000 1.124 157 I CB 1.754 39.745 38.000 -0.015 0.000 1.289 157 I HN 0.803 nan 8.210 nan 0.000 0.441 158 S N 5.282 120.928 115.700 -0.090 0.000 2.587 158 S HA 0.464 4.934 4.470 -0.000 0.000 0.269 158 S C -2.623 171.818 174.600 -0.264 0.000 1.154 158 S CA -1.009 57.078 58.200 -0.190 0.000 0.824 158 S CB 1.825 64.931 63.200 -0.157 0.000 1.118 158 S HN 0.271 nan 8.310 nan 0.000 0.462 159 P HA 0.021 nan 4.420 nan 0.000 0.228 159 P C 1.139 178.245 177.300 -0.324 0.000 1.151 159 P CA 1.130 64.005 63.100 -0.374 0.000 0.770 159 P CB -0.095 31.355 31.700 -0.417 0.000 0.786 160 V N -6.662 113.015 119.914 -0.396 0.000 3.477 160 V HA 0.272 4.392 4.120 -0.000 0.000 0.297 160 V C 0.208 176.077 176.094 -0.375 0.000 1.433 160 V CA -0.178 61.944 62.300 -0.296 0.000 1.052 160 V CB -1.177 30.504 31.823 -0.237 0.000 0.895 160 V HN -0.036 nan 8.190 nan 0.000 0.438 161 H N 2.667 121.592 119.070 -0.242 0.000 2.552 161 H HA 0.719 5.274 4.556 -0.000 0.000 0.311 161 H C 0.556 175.761 175.328 -0.206 0.000 1.071 161 H CA 0.877 56.748 56.048 -0.296 0.000 1.307 161 H CB 1.287 30.907 29.762 -0.237 0.000 1.416 161 H HN 0.615 nan 8.280 nan 0.000 0.464 162 T N -0.998 113.424 114.554 -0.219 0.000 2.883 162 T HA 0.239 4.588 4.350 -0.000 0.000 0.296 162 T C 1.065 175.782 174.700 0.029 0.000 1.117 162 T CA -0.867 61.209 62.100 -0.040 0.000 1.006 162 T CB 0.984 69.818 68.868 -0.056 0.000 1.191 162 T HN 0.216 nan 8.240 nan 0.000 0.508 163 V N 0.935 120.951 119.914 0.171 0.000 2.282 163 V HA -0.191 3.928 4.120 -0.000 0.000 0.249 163 V C 2.796 178.983 176.094 0.154 0.000 1.057 163 V CA 2.588 65.032 62.300 0.240 0.000 1.032 163 V CB -0.961 30.955 31.823 0.155 0.000 0.645 163 V HN 1.090 nan 8.190 nan 0.000 0.447 164 E N 0.344 120.582 120.200 0.062 0.000 2.058 164 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 164 E C 2.266 178.870 176.600 0.006 0.000 0.997 164 E CA 1.579 57.997 56.400 0.029 0.000 0.801 164 E CB -0.565 29.135 29.700 -0.001 0.000 0.746 164 E HN 0.583 nan 8.360 nan 0.000 0.450 165 G N -0.776 107.971 108.800 -0.089 0.000 2.450 165 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 165 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 165 G C 1.089 175.910 174.900 -0.131 0.000 1.130 165 G CA 0.982 45.970 45.100 -0.186 0.000 0.760 165 G HN 0.365 nan 8.290 nan 0.000 0.557 166 Y N -0.301 120.061 120.300 0.103 0.000 2.314 166 Y HA 0.028 4.578 4.550 -0.000 0.000 0.294 166 Y C 2.900 178.876 175.900 0.127 0.000 1.119 166 Y CA 0.131 58.310 58.100 0.133 0.000 1.179 166 Y CB 0.104 38.663 38.460 0.165 0.000 1.025 166 Y HN 0.038 nan 8.280 nan 0.000 0.541 167 V N 0.717 120.789 119.914 0.264 0.000 2.490 167 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 167 V C 2.306 178.572 176.094 0.286 0.000 1.061 167 V CA 1.959 64.415 62.300 0.260 0.000 1.064 167 V CB -0.458 31.454 31.823 0.149 0.000 0.670 167 V HN 0.338 nan 8.190 nan 0.000 0.461 168 K N -0.006 120.502 120.400 0.180 0.000 2.025 168 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 168 K C 2.252 178.926 176.600 0.125 0.000 1.049 168 K CA 1.457 57.831 56.287 0.145 0.000 0.933 168 K CB -0.202 32.339 32.500 0.068 0.000 0.714 168 K HN 0.391 nan 8.250 nan 0.000 0.438 169 L N 0.720 122.018 121.223 0.124 0.000 2.042 169 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 169 L C 2.475 179.391 176.870 0.077 0.000 1.076 169 L CA 1.414 56.321 54.840 0.110 0.000 0.749 169 L CB -0.439 41.722 42.059 0.170 0.000 0.893 169 L HN 0.358 nan 8.230 nan 0.000 0.432 170 A N -0.199 122.680 122.820 0.097 0.000 1.883 170 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 170 A C 2.297 179.738 177.584 -0.238 0.000 1.186 170 A CA 1.799 53.827 52.037 -0.014 0.000 0.624 170 A CB -1.365 17.682 19.000 0.080 0.000 0.822 170 A HN 0.511 nan 8.150 nan 0.000 0.444 171 G N -1.008 107.642 108.800 -0.251 0.000 2.422 171 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.218 171 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.218 171 G C 1.605 176.407 174.900 -0.163 0.000 1.146 171 G CA 1.018 45.889 45.100 -0.382 0.000 0.769 171 G HN 0.668 nan 8.290 nan 0.000 0.547 172 Q N -0.283 119.484 119.800 -0.056 0.000 2.079 172 Q HA 0.075 4.415 4.340 -0.000 0.000 0.200 172 Q C 2.656 178.631 176.000 -0.041 0.000 0.974 172 Q CA 0.785 56.572 55.803 -0.026 0.000 0.840 172 Q CB -0.261 28.482 28.738 0.008 0.000 0.898 172 Q HN 0.421 nan 8.270 nan 0.000 0.430 173 L N 0.368 121.564 121.223 -0.044 0.000 2.042 173 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 173 L C 2.293 179.122 176.870 -0.068 0.000 1.076 173 L CA 1.042 55.861 54.840 -0.035 0.000 0.749 173 L CB -0.360 41.691 42.059 -0.014 0.000 0.893 173 L HN 0.259 nan 8.230 nan 0.000 0.432 174 L N -0.774 120.367 121.223 -0.136 0.000 2.093 174 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 174 L C 2.075 178.886 176.870 -0.099 0.000 1.085 174 L CA 0.873 55.625 54.840 -0.147 0.000 0.755 174 L CB -0.572 41.325 42.059 -0.269 0.000 0.904 174 L HN 0.225 nan 8.230 nan 0.000 0.435 175 D N 0.353 120.698 120.400 -0.091 0.000 2.218 175 D HA -0.165 4.475 4.640 -0.000 0.000 0.204 175 D C 1.825 178.106 176.300 -0.031 0.000 0.976 175 D CA 1.217 55.188 54.000 -0.048 0.000 0.853 175 D CB -0.044 40.737 40.800 -0.031 0.000 0.939 175 D HN 0.452 nan 8.370 nan 0.000 0.481 176 M N -2.863 116.718 119.600 -0.031 0.000 2.637 176 M HA 0.424 4.904 4.480 -0.000 0.000 0.286 176 M C 0.843 177.128 176.300 -0.025 0.000 1.246 176 M CA 0.138 55.426 55.300 -0.019 0.000 0.978 176 M CB 0.579 33.174 32.600 -0.008 0.000 1.417 176 M HN -0.075 nan 8.290 nan 0.000 0.487 177 G N 0.948 109.727 108.800 -0.035 0.000 2.147 177 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 177 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 177 G C 0.163 175.033 174.900 -0.050 0.000 1.005 177 G CA 0.044 45.120 45.100 -0.041 0.000 0.713 177 G HN 1.030 nan 8.290 nan 0.000 0.515 178 A N -0.015 122.776 122.820 -0.048 0.000 2.520 178 A HA 0.487 4.807 4.320 -0.000 0.000 0.245 178 A C 1.235 178.771 177.584 -0.080 0.000 1.072 178 A CA 0.743 52.755 52.037 -0.042 0.000 0.761 178 A CB 0.298 19.283 19.000 -0.025 0.000 1.004 178 A HN 0.295 nan 8.150 nan 0.000 0.499 179 D N 0.470 120.780 120.400 -0.151 0.000 2.317 179 D HA 0.034 4.673 4.640 -0.000 0.000 0.211 179 D C 0.465 176.683 176.300 -0.136 0.000 0.966 179 D CA 1.644 55.474 54.000 -0.283 0.000 0.876 179 D CB 0.098 40.434 40.800 -0.774 0.000 0.927 179 D HN 0.709 nan 8.370 nan 0.000 0.519 180 S N -0.484 115.223 115.700 0.011 0.000 2.597 180 S HA 0.387 4.857 4.470 -0.000 0.000 0.274 180 S C -1.332 173.315 174.600 0.078 0.000 1.132 180 S CA -1.030 57.228 58.200 0.097 0.000 0.835 180 S CB 1.449 64.800 63.200 0.250 0.000 1.092 180 S HN -0.099 nan 8.310 nan 0.000 0.457 181 I N 1.529 122.118 120.570 0.031 0.000 2.354 181 I HA 0.659 4.829 4.170 -0.000 0.000 0.292 181 I C 0.405 176.529 176.117 0.013 0.000 0.989 181 I CA -0.704 60.610 61.300 0.024 0.000 1.188 181 I CB 0.988 38.992 38.000 0.006 0.000 1.342 181 I HN 1.007 nan 8.210 nan 0.000 0.457 182 A N 6.876 129.713 122.820 0.029 0.000 2.260 182 A HA 0.622 4.942 4.320 -0.000 0.000 0.314 182 A C -0.500 177.089 177.584 0.008 0.000 1.257 182 A CA -0.374 51.666 52.037 0.006 0.000 0.871 182 A CB 0.943 19.949 19.000 0.010 0.000 1.166 182 A HN 0.615 nan 8.150 nan 0.000 0.522 186 M N 1.733 121.333 119.600 -0.001 0.000 2.296 186 M HA 0.102 4.582 4.480 -0.000 0.000 0.265 186 M C 1.035 177.084 176.300 -0.418 0.000 1.064 186 M CA 1.729 56.838 55.300 -0.318 0.000 1.109 186 M CB 0.313 32.758 32.600 -0.259 0.000 1.396 186 M HN 0.359 nan 8.290 nan 0.000 0.430 187 A N -0.247 122.468 122.820 -0.175 0.000 2.460 187 A HA 0.589 4.909 4.320 -0.000 0.000 0.258 187 A C 1.006 178.526 177.584 -0.107 0.000 1.300 187 A CA 0.428 52.370 52.037 -0.160 0.000 0.913 187 A CB -0.671 18.249 19.000 -0.133 0.000 1.031 187 A HN 0.803 nan 8.150 nan 0.000 0.512 188 A N -1.050 121.752 122.820 -0.029 0.000 2.640 188 A HA -0.182 4.138 4.320 -0.000 0.000 0.300 188 A C 0.900 178.509 177.584 0.041 0.000 1.499 188 A CA 1.273 53.321 52.037 0.018 0.000 0.759 188 A CB -2.257 16.739 19.000 -0.007 0.000 1.048 188 A HN 0.667 nan 8.150 nan 0.000 0.450 189 L N -1.546 119.753 121.223 0.127 0.000 2.529 189 L HA 0.203 4.543 4.340 -0.000 0.000 0.223 189 L C 1.017 178.199 176.870 0.519 0.000 1.113 189 L CA 0.061 55.068 54.840 0.279 0.000 0.861 189 L CB 0.183 42.368 42.059 0.211 0.000 1.012 189 L HN 0.601 nan 8.230 nan 0.000 0.461 190 L N 1.787 123.185 121.223 0.291 0.000 2.407 190 L HA 0.109 4.449 4.340 -0.000 0.000 0.282 190 L C 0.345 177.234 176.870 0.031 0.000 1.110 190 L CA 0.458 55.266 54.840 -0.053 0.000 0.863 190 L CB -0.174 41.631 42.059 -0.424 0.000 1.207 190 L HN -0.022 nan 8.230 nan 0.000 0.454 191 K N 5.839 126.280 120.400 0.067 0.000 2.102 191 K HA 0.278 4.598 4.320 -0.000 0.000 0.244 191 K C -1.699 174.890 176.600 -0.020 0.000 1.021 191 K CA -1.424 54.875 56.287 0.020 0.000 0.913 191 K CB 0.366 32.846 32.500 -0.035 0.000 1.062 191 K HN 0.311 nan 8.250 nan 0.000 0.485 192 P HA -0.217 nan 4.420 nan 0.000 0.215 192 P C 1.190 178.499 177.300 0.014 0.000 1.157 192 P CA 1.346 64.439 63.100 -0.011 0.000 0.868 192 P CB 0.273 31.961 31.700 -0.020 0.000 0.788 193 Q N -0.605 119.199 119.800 0.007 0.000 2.046 193 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 193 Q C -0.654 175.400 176.000 0.090 0.000 0.975 193 Q CA 2.416 58.243 55.803 0.040 0.000 0.836 193 Q CB -1.990 26.755 28.738 0.013 0.000 0.896 193 Q HN 0.179 nan 8.270 nan 0.000 0.428 194 P HA -0.124 nan 4.420 nan 0.000 0.215 194 P C 0.634 177.919 177.300 -0.024 0.000 1.153 194 P CA 2.077 65.206 63.100 0.047 0.000 0.853 194 P CB -0.286 31.450 31.700 0.060 0.000 0.788 195 A N -1.420 121.363 122.820 -0.062 0.000 1.902 195 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 195 A C 2.305 179.872 177.584 -0.028 0.000 1.181 195 A CA 1.623 53.597 52.037 -0.104 0.000 0.623 195 A CB -1.883 17.064 19.000 -0.088 0.000 0.818 195 A HN 0.198 nan 8.150 nan 0.000 0.443 196 Y N 1.007 121.264 120.300 -0.072 0.000 2.153 196 Y HA -0.180 4.370 4.550 -0.000 0.000 0.289 196 Y C 1.956 177.838 175.900 -0.031 0.000 1.127 196 Y CA 1.967 60.038 58.100 -0.049 0.000 1.131 196 Y CB -0.136 38.303 38.460 -0.034 0.000 0.995 196 Y HN 0.338 nan 8.280 nan 0.000 0.505 197 D N 0.553 121.031 120.400 0.129 0.000 2.097 197 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 197 D C 2.320 178.598 176.300 -0.037 0.000 0.989 197 D CA 2.028 56.060 54.000 0.053 0.000 0.827 197 D CB -0.442 40.434 40.800 0.127 0.000 0.966 197 D HN 0.465 nan 8.370 nan 0.000 0.456 198 I N 0.899 121.460 120.570 -0.015 0.000 2.179 198 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 198 I C 2.271 178.351 176.117 -0.061 0.000 1.088 198 I CA 0.626 61.922 61.300 -0.007 0.000 1.357 198 I CB -0.123 37.855 38.000 -0.036 0.000 1.051 198 I HN -0.026 nan 8.210 nan 0.000 0.409 199 I N 0.827 121.321 120.570 -0.126 0.000 2.361 199 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 199 I C 2.461 178.474 176.117 -0.175 0.000 1.133 199 I CA 1.497 62.711 61.300 -0.142 0.000 1.413 199 I CB -1.048 36.852 38.000 -0.167 0.000 1.073 199 I HN 0.224 nan 8.210 nan 0.000 0.424 200 K N 1.608 121.843 120.400 -0.275 0.000 2.076 200 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 200 K C 2.146 178.660 176.600 -0.143 0.000 1.051 200 K CA 1.457 57.573 56.287 -0.285 0.000 0.949 200 K CB -0.350 31.863 32.500 -0.478 0.000 0.726 200 K HN 0.167 nan 8.250 nan 0.000 0.443 201 A N 0.798 123.560 122.820 -0.097 0.000 1.902 201 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 201 A C 2.246 179.806 177.584 -0.040 0.000 1.181 201 A CA 1.683 53.691 52.037 -0.048 0.000 0.623 201 A CB -0.681 18.319 19.000 -0.001 0.000 0.818 201 A HN 0.336 nan 8.150 nan 0.000 0.443 202 I N -0.734 119.839 120.570 0.006 0.000 2.202 202 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 202 I C 2.401 178.555 176.117 0.062 0.000 1.091 202 I CA 1.230 62.586 61.300 0.092 0.000 1.368 202 I CB -0.271 37.802 38.000 0.121 0.000 1.058 202 I HN 0.195 nan 8.210 nan 0.000 0.410 203 K N 0.571 120.972 120.400 0.002 0.000 2.057 203 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 203 K C 1.665 178.245 176.600 -0.033 0.000 1.049 203 K CA 1.443 57.724 56.287 -0.009 0.000 0.931 203 K CB -0.520 31.952 32.500 -0.047 0.000 0.714 203 K HN 0.306 nan 8.250 nan 0.000 0.440 204 D N 0.016 120.377 120.400 -0.066 0.000 2.144 204 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 204 D C 1.788 178.016 176.300 -0.121 0.000 0.978 204 D CA 1.177 55.131 54.000 -0.076 0.000 0.833 204 D CB -0.056 40.700 40.800 -0.073 0.000 0.961 204 D HN 0.165 nan 8.370 nan 0.000 0.470 205 T N -0.568 113.860 114.554 -0.210 0.000 2.770 205 T HA -0.089 4.261 4.350 -0.000 0.000 0.258 205 T C 1.464 175.864 174.700 -0.499 0.000 1.039 205 T CA 0.838 62.681 62.100 -0.428 0.000 1.143 205 T CB -0.255 68.191 68.868 -0.703 0.000 0.866 205 T HN 0.236 nan 8.240 nan 0.000 0.428 206 Y N 0.909 121.209 120.300 -0.001 0.000 2.457 206 Y HA 0.463 5.012 4.550 -0.000 0.000 0.263 206 Y C 1.355 177.253 175.900 -0.003 0.000 1.164 206 Y CA -0.172 57.928 58.100 0.000 0.000 1.274 206 Y CB 0.305 38.767 38.460 0.003 0.000 1.097 206 Y HN 0.372 nan 8.280 nan 0.000 0.523 207 G N 0.556 109.396 108.800 0.067 0.000 2.675 207 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 207 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 207 G C 0.062 174.988 174.900 0.043 0.000 1.215 207 G CA -0.572 44.556 45.100 0.046 0.000 0.777 207 G HN 0.223 nan 8.290 nan 0.000 0.638 208 Q N 0.266 120.079 119.800 0.021 0.000 2.234 208 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 208 Q C 2.613 178.623 176.000 0.016 0.000 0.980 208 Q CA 1.816 57.627 55.803 0.012 0.000 0.869 208 Q CB -0.148 28.596 28.738 0.009 0.000 0.912 208 Q HN 0.837 nan 8.270 nan 0.000 0.436 209 K N 0.272 120.687 120.400 0.026 0.000 2.283 209 K HA 0.004 4.324 4.320 -0.000 0.000 0.202 209 K C 0.429 177.043 176.600 0.024 0.000 1.048 209 K CA 0.756 57.057 56.287 0.025 0.000 0.948 209 K CB -0.240 32.278 32.500 0.029 0.000 0.742 209 K HN -0.171 nan 8.250 nan 0.000 0.458 210 T N 2.941 117.516 114.554 0.034 0.000 2.792 210 T HA -0.082 4.268 4.350 -0.000 0.000 0.286 210 T C -0.296 174.406 174.700 0.003 0.000 0.970 210 T CA 0.200 62.317 62.100 0.030 0.000 1.187 210 T CB 0.626 69.536 68.868 0.069 0.000 0.915 210 T HN 0.296 nan 8.240 nan 0.000 0.529 211 Q N 3.920 123.717 119.800 -0.004 0.000 2.288 211 Q HA 0.443 4.783 4.340 -0.000 0.000 0.258 211 Q C -0.891 175.078 176.000 -0.052 0.000 0.957 211 Q CA -0.266 55.515 55.803 -0.037 0.000 0.919 211 Q CB 0.425 29.156 28.738 -0.011 0.000 1.185 211 Q HN 0.643 nan 8.270 nan 0.000 0.408 212 I N 3.907 124.418 120.570 -0.098 0.000 2.498 212 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 212 I C -0.684 175.339 176.117 -0.156 0.000 1.032 212 I CA -0.742 60.500 61.300 -0.096 0.000 1.073 212 I CB 2.166 40.121 38.000 -0.076 0.000 1.251 212 I HN 0.647 nan 8.210 nan 0.000 0.426 213 N N 5.652 124.267 118.700 -0.141 0.000 2.342 213 N HA 0.474 5.214 4.740 -0.000 0.000 0.293 213 N C -1.448 174.007 175.510 -0.091 0.000 1.026 213 N CA -0.751 52.201 53.050 -0.164 0.000 0.857 213 N CB 2.803 41.176 38.487 -0.190 0.000 1.256 213 N HN 0.239 nan 8.380 nan 0.000 0.484 214 L N 2.886 124.056 121.223 -0.088 0.000 2.280 214 L HA 0.300 4.639 4.340 -0.000 0.000 0.287 214 L C -0.839 176.028 176.870 -0.005 0.000 1.023 214 L CA -0.521 54.285 54.840 -0.057 0.000 0.819 214 L CB 0.231 42.235 42.059 -0.092 0.000 1.212 214 L HN 0.571 nan 8.230 nan 0.000 0.420 215 H N 4.595 123.623 119.070 -0.070 0.000 2.661 215 H HA 0.528 5.084 4.556 -0.000 0.000 0.290 215 H C -1.209 174.134 175.328 0.025 0.000 1.082 215 H CA -0.241 55.783 56.048 -0.040 0.000 1.234 215 H CB 0.605 30.343 29.762 -0.039 0.000 1.387 215 H HN 0.756 nan 8.280 nan 0.000 0.476 216 C N 5.350 124.521 119.300 -0.215 0.000 2.455 216 C HA 0.368 4.827 4.460 -0.000 0.000 0.320 216 C C 0.043 174.950 174.990 -0.139 0.000 1.226 216 C CA -0.666 58.289 59.018 -0.105 0.000 1.569 216 C CB 0.871 28.570 27.740 -0.069 0.000 2.200 216 C HN 0.882 nan 8.230 nan 0.000 0.491 217 H N 0.721 119.681 119.070 -0.182 0.000 2.500 217 H HA 0.240 4.796 4.556 -0.000 0.000 0.351 217 H C 0.701 175.931 175.328 -0.164 0.000 1.281 217 H CA 0.210 56.108 56.048 -0.251 0.000 1.368 217 H CB 1.424 31.028 29.762 -0.263 0.000 1.616 217 H HN 0.725 nan 8.280 nan 0.000 0.591 218 S N -0.781 114.870 115.700 -0.082 0.000 2.593 218 S HA -0.000 4.470 4.470 -0.000 0.000 0.236 218 S C 1.276 175.858 174.600 -0.030 0.000 0.991 218 S CA -0.192 57.979 58.200 -0.048 0.000 0.963 218 S CB -0.050 63.112 63.200 -0.064 0.000 0.865 218 S HN 0.546 nan 8.310 nan 0.000 0.488 219 T N 3.288 117.823 114.554 -0.031 0.000 2.680 219 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 219 T C 2.039 176.709 174.700 -0.049 0.000 1.033 219 T CA 2.484 64.555 62.100 -0.047 0.000 1.152 219 T CB -0.865 67.959 68.868 -0.073 0.000 0.859 219 T HN 0.845 nan 8.240 nan 0.000 0.452 220 T N -1.985 112.543 114.554 -0.043 0.000 3.044 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.250 220 T C 1.780 176.521 174.700 0.068 0.000 1.081 220 T CA 0.762 62.851 62.100 -0.018 0.000 1.040 220 T CB 0.153 68.983 68.868 -0.064 0.000 0.962 220 T HN 0.590 nan 8.240 nan 0.000 0.506 221 G N 1.028 109.857 108.800 0.049 0.000 2.159 221 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 221 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 221 G C 0.758 175.698 174.900 0.067 0.000 0.977 221 G CA 0.544 45.674 45.100 0.050 0.000 0.652 221 G HN 1.485 nan 8.290 nan 0.000 0.531 222 V N -2.010 117.964 119.914 0.099 0.000 3.477 222 V HA 0.389 4.509 4.120 -0.000 0.000 0.297 222 V C 2.111 178.240 176.094 0.058 0.000 1.433 222 V CA 1.756 64.108 62.300 0.086 0.000 1.052 222 V CB -0.018 31.881 31.823 0.127 0.000 0.895 222 V HN 0.786 nan 8.190 nan 0.000 0.438 223 T N -2.455 112.127 114.554 0.047 0.000 2.985 223 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 223 T C 1.615 176.312 174.700 -0.006 0.000 1.076 223 T CA 1.459 63.569 62.100 0.016 0.000 1.135 223 T CB -0.222 68.650 68.868 0.006 0.000 0.890 223 T HN 0.625 nan 8.240 nan 0.000 0.480 224 E N 0.770 120.969 120.200 -0.002 0.000 2.268 224 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 224 E C 1.828 178.425 176.600 -0.006 0.000 0.995 224 E CA 0.699 57.095 56.400 -0.007 0.000 0.836 224 E CB -0.123 29.578 29.700 0.000 0.000 0.763 224 E HN 0.452 nan 8.360 nan 0.000 0.491 225 V N 0.226 120.140 119.914 -0.000 0.000 2.719 225 V HA -0.142 3.978 4.120 -0.000 0.000 0.252 225 V C 2.168 178.256 176.094 -0.009 0.000 1.065 225 V CA 1.508 63.807 62.300 -0.002 0.000 1.086 225 V CB -0.025 31.797 31.823 -0.001 0.000 0.700 225 V HN 0.214 nan 8.190 nan 0.000 0.467 226 S N 0.410 116.102 115.700 -0.014 0.000 2.383 226 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 226 S C 1.899 176.475 174.600 -0.040 0.000 1.026 226 S CA 1.098 59.282 58.200 -0.028 0.000 0.981 226 S CB -0.303 62.871 63.200 -0.042 0.000 0.818 226 S HN 0.345 nan 8.310 nan 0.000 0.472 227 L N 1.015 122.213 121.223 -0.043 0.000 2.046 227 L HA -0.019 4.320 4.340 -0.000 0.000 0.208 227 L C 2.388 179.222 176.870 -0.060 0.000 1.077 227 L CA 1.632 56.438 54.840 -0.058 0.000 0.747 227 L CB -0.787 41.242 42.059 -0.050 0.000 0.896 227 L HN 0.303 nan 8.230 nan 0.000 0.432 228 M N -1.094 118.484 119.600 -0.036 0.000 2.117 228 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 228 M C 2.065 178.349 176.300 -0.026 0.000 1.065 228 M CA 1.708 56.989 55.300 -0.031 0.000 1.114 228 M CB -0.285 32.317 32.600 0.002 0.000 1.361 228 M HN -0.066 nan 8.290 nan 0.000 0.408 229 K N 0.147 120.549 120.400 0.004 0.000 2.097 229 K HA 0.030 4.350 4.320 -0.000 0.000 0.205 229 K C 2.064 178.712 176.600 0.078 0.000 1.050 229 K CA 1.463 57.792 56.287 0.070 0.000 0.938 229 K CB -0.981 31.563 32.500 0.075 0.000 0.718 229 K HN 0.484 nan 8.250 nan 0.000 0.442 230 A N 1.266 124.074 122.820 -0.019 0.000 1.902 230 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 230 A C 2.272 179.781 177.584 -0.126 0.000 1.181 230 A CA 1.149 53.139 52.037 -0.077 0.000 0.623 230 A CB -0.514 18.424 19.000 -0.104 0.000 0.818 230 A HN 0.193 nan 8.150 nan 0.000 0.443 231 I N -0.370 120.097 120.570 -0.171 0.000 2.252 231 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 231 I C 2.400 178.284 176.117 -0.389 0.000 1.102 231 I CA 1.508 62.610 61.300 -0.331 0.000 1.385 231 I CB -0.386 37.356 38.000 -0.430 0.000 1.064 231 I HN 0.431 nan 8.210 nan 0.000 0.414 232 E N 0.885 120.973 120.200 -0.187 0.000 2.150 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 232 E C 2.158 178.821 176.600 0.105 0.000 0.985 232 E CA 1.140 57.562 56.400 0.037 0.000 0.814 232 E CB -0.150 29.668 29.700 0.197 0.000 0.752 232 E HN 0.500 nan 8.360 nan 0.000 0.466 233 A N 0.323 123.149 122.820 0.009 0.000 2.167 233 A HA 0.204 4.524 4.320 -0.000 0.000 0.214 233 A C 1.675 179.153 177.584 -0.176 0.000 1.151 233 A CA 0.908 52.795 52.037 -0.250 0.000 0.735 233 A CB -0.131 18.573 19.000 -0.495 0.000 0.802 233 A HN 0.335 nan 8.150 nan 0.000 0.467 234 G N -1.528 107.194 108.800 -0.130 0.000 2.135 234 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.183 234 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.183 234 G C 0.211 175.037 174.900 -0.123 0.000 1.004 234 G CA 0.024 45.059 45.100 -0.108 0.000 0.677 234 G HN 1.076 nan 8.290 nan 0.000 0.512 235 V N 0.390 120.214 119.914 -0.150 0.000 2.872 235 V HA 0.253 4.373 4.120 -0.000 0.000 0.307 235 V C 1.316 177.319 176.094 -0.152 0.000 1.072 235 V CA 1.116 63.328 62.300 -0.145 0.000 1.148 235 V CB 0.871 32.606 31.823 -0.147 0.000 0.954 235 V HN 0.378 nan 8.190 nan 0.000 0.490 236 D N 3.330 123.632 120.400 -0.164 0.000 2.197 236 D HA 0.101 4.741 4.640 -0.000 0.000 0.212 236 D C -0.056 176.093 176.300 -0.252 0.000 0.963 236 D CA 1.133 55.017 54.000 -0.193 0.000 0.864 236 D CB 0.709 41.380 40.800 -0.216 0.000 1.009 236 D HN 0.390 nan 8.370 nan 0.000 0.479 237 V N 1.436 121.177 119.914 -0.289 0.000 2.841 237 V HA 0.328 4.447 4.120 -0.000 0.000 0.310 237 V C -0.323 175.658 176.094 -0.187 0.000 1.090 237 V CA -0.942 61.182 62.300 -0.293 0.000 0.930 237 V CB 2.580 34.081 31.823 -0.536 0.000 1.014 237 V HN -0.008 nan 8.190 nan 0.000 0.425 238 V N -0.573 119.268 119.914 -0.122 0.000 2.604 238 V HA 0.742 4.862 4.120 -0.000 0.000 0.305 238 V C -0.986 175.071 176.094 -0.062 0.000 1.043 238 V CA -0.727 61.520 62.300 -0.089 0.000 0.888 238 V CB 1.973 33.746 31.823 -0.082 0.000 0.995 238 V HN 0.735 nan 8.190 nan 0.000 0.429 239 D N 3.224 123.587 120.400 -0.062 0.000 2.264 239 D HA 0.665 5.305 4.640 -0.000 0.000 0.250 239 D C 0.483 176.699 176.300 -0.141 0.000 1.113 239 D CA 0.258 54.210 54.000 -0.080 0.000 0.871 239 D CB 1.840 42.641 40.800 0.002 0.000 1.167 239 D HN 1.074 nan 8.370 nan 0.000 0.447 240 T N -1.917 112.547 114.554 -0.151 0.000 2.838 240 T HA 0.847 5.197 4.350 -0.000 0.000 0.292 240 T C -0.972 173.613 174.700 -0.192 0.000 1.113 240 T CA -1.089 60.931 62.100 -0.132 0.000 1.008 240 T CB 1.769 70.609 68.868 -0.046 0.000 1.259 240 T HN 0.305 nan 8.240 nan 0.000 0.520 241 A N 0.880 123.622 122.820 -0.129 0.000 2.371 241 A HA 0.741 5.061 4.320 -0.000 0.000 0.311 241 A C -0.389 177.152 177.584 -0.072 0.000 1.068 241 A CA -0.866 51.085 52.037 -0.142 0.000 0.744 241 A CB 0.808 19.758 19.000 -0.084 0.000 1.239 241 A HN 1.015 nan 8.150 nan 0.000 0.435 242 I N 2.575 123.096 120.570 -0.082 0.000 2.826 242 I HA -0.075 4.095 4.170 -0.000 0.000 0.295 242 I C 1.891 178.010 176.117 0.004 0.000 1.213 242 I CA 1.389 62.687 61.300 -0.004 0.000 1.436 242 I CB 0.675 38.686 38.000 0.019 0.000 1.348 242 I HN 0.881 nan 8.210 nan 0.000 0.570 243 S N 3.526 119.248 115.700 0.037 0.000 2.400 243 S HA -0.289 4.180 4.470 -0.000 0.000 0.234 243 S C 1.656 176.279 174.600 0.038 0.000 1.049 243 S CA 1.614 59.838 58.200 0.040 0.000 1.039 243 S CB -1.158 62.078 63.200 0.060 0.000 0.856 243 S HN 0.863 nan 8.310 nan 0.000 0.465 244 S N 0.436 116.170 115.700 0.057 0.000 2.603 244 S HA 0.271 4.741 4.470 -0.000 0.000 0.229 244 S C 0.811 175.439 174.600 0.047 0.000 0.972 244 S CA 0.210 58.451 58.200 0.067 0.000 0.935 244 S CB -0.355 62.910 63.200 0.108 0.000 0.769 244 S HN 0.480 nan 8.310 nan 0.000 0.536 245 M N 2.248 121.847 119.600 -0.001 0.000 3.731 245 M HA 0.317 4.797 4.480 -0.000 0.000 0.442 245 M C -0.499 175.778 176.300 -0.039 0.000 1.776 245 M CA -0.005 55.268 55.300 -0.044 0.000 0.646 245 M CB 0.379 32.883 32.600 -0.159 0.000 1.439 245 M HN 0.408 nan 8.290 nan 0.000 0.523 246 S N -0.543 115.148 115.700 -0.016 0.000 2.732 246 S HA 0.955 5.425 4.470 -0.000 0.000 0.293 246 S C 0.082 174.666 174.600 -0.026 0.000 1.159 246 S CA -0.796 57.393 58.200 -0.019 0.000 0.847 246 S CB 2.439 65.634 63.200 -0.008 0.000 1.169 246 S HN 0.471 nan 8.310 nan 0.000 0.501 247 L N -0.654 120.542 121.223 -0.046 0.000 5.532 247 L HA 0.031 4.371 4.340 -0.000 0.000 0.285 247 L C 1.172 178.008 176.870 -0.056 0.000 1.086 247 L CA 0.461 55.275 54.840 -0.044 0.000 1.234 247 L CB -1.670 40.379 42.059 -0.016 0.000 2.011 247 L HN 1.930 nan 8.230 nan 0.000 0.838 248 G N -0.584 108.194 108.800 -0.036 0.000 2.574 248 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.282 248 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.282 248 G C -2.156 172.712 174.900 -0.054 0.000 1.257 248 G CA 0.363 45.443 45.100 -0.033 0.000 0.956 248 G HN 0.566 nan 8.290 nan 0.000 0.560 249 P HA 0.195 nan 4.420 nan 0.000 0.247 249 P C 1.370 178.623 177.300 -0.077 0.000 1.225 249 P CA 1.393 64.471 63.100 -0.036 0.000 0.768 249 P CB -0.020 31.668 31.700 -0.020 0.000 1.020 250 G N -0.775 107.906 108.800 -0.198 0.000 2.873 250 G HA2 0.163 4.123 3.960 -0.000 0.000 0.170 250 G HA3 0.163 4.123 3.960 -0.000 0.000 0.170 250 G C -0.456 173.908 174.900 -0.895 0.000 1.608 250 G CA 0.055 44.878 45.100 -0.460 0.000 1.084 250 G HN 0.172 nan 8.290 nan 0.000 0.563 251 H N -1.756 117.164 119.070 -0.249 0.000 2.949 251 H HA 0.393 4.949 4.556 -0.000 0.000 0.310 251 H C -0.194 175.036 175.328 -0.163 0.000 1.405 251 H CA -0.979 54.895 56.048 -0.290 0.000 1.253 251 H CB 0.735 30.267 29.762 -0.384 0.000 1.932 251 H HN 0.245 nan 8.280 nan 0.000 0.602 252 N N 1.526 120.218 118.700 -0.013 0.000 2.503 252 N HA 0.148 4.888 4.740 -0.000 0.000 0.267 252 N C -2.517 172.989 175.510 -0.007 0.000 1.214 252 N CA -1.180 51.860 53.050 -0.017 0.000 0.959 252 N CB 0.378 38.852 38.487 -0.022 0.000 1.142 252 N HN 0.283 nan 8.380 nan 0.000 0.455 253 P HA 0.139 nan 4.420 nan 0.000 0.276 253 P C 0.512 177.824 177.300 0.020 0.000 1.243 253 P CA -0.040 63.068 63.100 0.014 0.000 0.768 253 P CB 0.519 32.235 31.700 0.027 0.000 0.856 254 T N 1.970 116.537 114.554 0.021 0.000 2.684 254 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 254 T C 1.278 175.995 174.700 0.029 0.000 1.036 254 T CA 1.735 63.855 62.100 0.034 0.000 1.148 254 T CB -0.475 68.441 68.868 0.080 0.000 0.863 254 T HN 0.507 nan 8.240 nan 0.000 0.436 255 E N 1.000 121.229 120.200 0.049 0.000 2.106 255 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 255 E C 2.556 179.227 176.600 0.118 0.000 0.984 255 E CA 1.005 57.457 56.400 0.087 0.000 0.806 255 E CB -0.213 29.570 29.700 0.138 0.000 0.750 255 E HN 0.278 nan 8.360 nan 0.000 0.458 256 S N -0.018 115.731 115.700 0.082 0.000 2.368 256 S HA -0.106 4.364 4.470 -0.000 0.000 0.224 256 S C 2.082 176.722 174.600 0.066 0.000 1.029 256 S CA 0.926 59.170 58.200 0.072 0.000 0.988 256 S CB -0.130 63.099 63.200 0.049 0.000 0.838 256 S HN 0.064 nan 8.310 nan 0.000 0.462 257 V N 1.715 121.656 119.914 0.046 0.000 2.626 257 V HA -0.090 4.030 4.120 -0.000 0.000 0.252 257 V C 2.444 178.568 176.094 0.050 0.000 1.067 257 V CA 1.470 63.790 62.300 0.033 0.000 1.081 257 V CB -0.974 30.855 31.823 0.009 0.000 0.686 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 A N -0.652 122.204 122.820 0.059 0.000 1.930 258 A HA -0.088 4.232 4.320 -0.000 0.000 0.215 258 A C 2.206 179.916 177.584 0.210 0.000 1.176 258 A CA 1.050 53.134 52.037 0.078 0.000 0.632 258 A CB -0.206 18.747 19.000 -0.079 0.000 0.819 258 A HN 0.498 nan 8.150 nan 0.000 0.445 259 E N 0.156 120.490 120.200 0.224 0.000 2.112 259 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 259 E C 2.120 178.784 176.600 0.106 0.000 0.979 259 E CA 1.283 57.796 56.400 0.188 0.000 0.814 259 E CB -0.462 29.328 29.700 0.149 0.000 0.762 259 E HN 0.903 nan 8.360 nan 0.000 0.460 260 M N -0.445 119.209 119.600 0.089 0.000 2.446 260 M HA -0.034 4.446 4.480 -0.000 0.000 0.263 260 M C 1.672 178.018 176.300 0.077 0.000 1.066 260 M CA 1.369 56.709 55.300 0.067 0.000 1.087 260 M CB -0.393 32.240 32.600 0.055 0.000 1.406 260 M HN -0.039 nan 8.290 nan 0.000 0.459 261 L N 0.584 121.865 121.223 0.097 0.000 2.446 261 L HA 0.148 4.488 4.340 -0.000 0.000 0.219 261 L C 1.136 178.064 176.870 0.096 0.000 1.116 261 L CA -0.013 54.900 54.840 0.121 0.000 0.844 261 L CB -0.472 41.675 42.059 0.147 0.000 0.970 261 L HN 0.428 nan 8.230 nan 0.000 0.457 262 E N 0.987 121.231 120.200 0.073 0.000 2.694 262 E HA -0.017 4.333 4.350 -0.000 0.000 0.250 262 E C 1.151 177.766 176.600 0.025 0.000 0.963 262 E CA 0.822 57.247 56.400 0.042 0.000 0.949 262 E CB 0.172 29.883 29.700 0.018 0.000 0.911 262 E HN 0.365 nan 8.360 nan 0.000 0.500 263 G N 3.024 111.829 108.800 0.010 0.000 2.199 263 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.254 263 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.254 263 G C 0.882 175.764 174.900 -0.029 0.000 0.982 263 G CA 0.775 45.868 45.100 -0.011 0.000 0.632 263 G HN 0.734 nan 8.290 nan 0.000 0.529 264 T N -2.092 112.451 114.554 -0.018 0.000 3.067 264 T HA 0.413 4.763 4.350 -0.000 0.000 0.261 264 T C 2.520 177.047 174.700 -0.289 0.000 1.110 264 T CA 1.840 63.901 62.100 -0.066 0.000 1.113 264 T CB 0.221 69.155 68.868 0.109 0.000 0.917 264 T HN 2.236 nan 8.240 nan 0.000 0.499 265 G N 0.198 108.865 108.800 -0.222 0.000 2.213 265 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.236 265 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.236 265 G C -0.070 174.652 174.900 -0.296 0.000 0.991 265 G CA -0.089 44.835 45.100 -0.293 0.000 0.629 265 G HN 0.651 nan 8.290 nan 0.000 0.517 266 Y N 0.527 120.837 120.300 0.017 0.000 2.352 266 Y HA 0.696 5.246 4.550 -0.000 0.000 0.326 266 Y C 0.788 176.702 175.900 0.023 0.000 1.166 266 Y CA 0.020 58.130 58.100 0.017 0.000 1.182 266 Y CB 2.235 40.704 38.460 0.016 0.000 1.216 266 Y HN 0.125 nan 8.280 nan 0.000 0.474 267 T N 0.758 115.427 114.554 0.193 0.000 2.843 267 T HA 0.487 4.837 4.350 -0.000 0.000 0.302 267 T C -0.871 173.884 174.700 0.091 0.000 1.232 267 T CA -0.704 61.469 62.100 0.122 0.000 1.009 267 T CB 1.314 70.235 68.868 0.089 0.000 1.254 267 T HN 0.742 nan 8.240 nan 0.000 0.504 268 T N 0.358 114.955 114.554 0.071 0.000 2.940 268 T HA 0.505 4.854 4.350 -0.000 0.000 0.288 268 T C 0.172 174.878 174.700 0.010 0.000 1.033 268 T CA -0.800 61.316 62.100 0.027 0.000 1.033 268 T CB 1.346 70.205 68.868 -0.015 0.000 1.079 268 T HN 0.495 nan 8.240 nan 0.000 0.496 269 N N 1.091 119.784 118.700 -0.012 0.000 2.558 269 N HA 0.261 5.001 4.740 -0.000 0.000 0.281 269 N C -0.741 174.711 175.510 -0.097 0.000 1.219 269 N CA -0.436 52.600 53.050 -0.023 0.000 0.942 269 N CB -0.645 37.846 38.487 0.006 0.000 1.241 269 N HN 0.581 nan 8.380 nan 0.000 0.511 270 L N -0.621 120.502 121.223 -0.166 0.000 2.331 270 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 270 L C -0.024 176.685 176.870 -0.268 0.000 1.022 270 L CA -1.013 53.641 54.840 -0.310 0.000 0.812 270 L CB 1.366 43.148 42.059 -0.463 0.000 1.257 270 L HN 0.164 nan 8.230 nan 0.000 0.435 271 D N 1.157 121.417 120.400 -0.234 0.000 2.411 271 D HA 0.076 4.716 4.640 -0.000 0.000 0.225 271 D C 0.492 176.744 176.300 -0.080 0.000 1.156 271 D CA -0.158 53.788 54.000 -0.091 0.000 0.874 271 D CB 0.800 41.559 40.800 -0.067 0.000 1.034 271 D HN 0.328 nan 8.370 nan 0.000 0.502 272 Y N 2.074 122.361 120.300 -0.022 0.000 2.274 272 Y HA -0.191 4.359 4.550 -0.000 0.000 0.290 272 Y C 2.091 178.015 175.900 0.040 0.000 1.145 272 Y CA 1.253 59.357 58.100 0.007 0.000 1.203 272 Y CB -0.027 38.436 38.460 0.005 0.000 0.984 272 Y HN 0.435 nan 8.280 nan 0.000 0.533 273 D N -0.335 120.168 120.400 0.171 0.000 2.117 273 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 273 D C 2.142 178.526 176.300 0.140 0.000 0.982 273 D CA 1.121 55.201 54.000 0.135 0.000 0.828 273 D CB 0.138 40.985 40.800 0.078 0.000 0.967 273 D HN -0.063 nan 8.370 nan 0.000 0.464 274 R N 0.154 120.697 120.500 0.072 0.000 2.080 274 R HA -0.073 4.267 4.340 -0.000 0.000 0.236 274 R C 2.589 178.928 176.300 0.064 0.000 1.137 274 R CA 0.663 56.789 56.100 0.045 0.000 0.943 274 R CB -1.214 29.076 30.300 -0.017 0.000 0.846 274 R HN 0.364 nan 8.270 nan 0.000 0.431 275 L N -0.288 120.955 121.223 0.033 0.000 2.081 275 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 275 L C 2.518 179.465 176.870 0.129 0.000 1.080 275 L CA 1.669 56.543 54.840 0.057 0.000 0.754 275 L CB -0.610 41.441 42.059 -0.013 0.000 0.893 275 L HN 0.286 nan 8.230 nan 0.000 0.433 276 H N 0.411 119.528 119.070 0.079 0.000 2.423 276 H HA -0.113 4.443 4.556 -0.000 0.000 0.297 276 H C 2.201 177.582 175.328 0.088 0.000 1.075 276 H CA 1.525 57.627 56.048 0.090 0.000 1.342 276 H CB 0.218 30.030 29.762 0.084 0.000 1.395 276 H HN 0.164 nan 8.280 nan 0.000 0.530 277 K N -0.255 120.182 120.400 0.062 0.000 2.103 277 K HA -0.016 4.304 4.320 -0.000 0.000 0.204 277 K C 2.139 178.758 176.600 0.032 0.000 1.052 277 K CA 1.350 57.648 56.287 0.018 0.000 0.945 277 K CB 0.133 32.668 32.500 0.060 0.000 0.722 277 K HN 0.302 nan 8.250 nan 0.000 0.443 278 I N 0.898 121.519 120.570 0.086 0.000 2.315 278 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 278 I C 2.665 178.934 176.117 0.254 0.000 1.117 278 I CA 0.987 62.397 61.300 0.184 0.000 1.404 278 I CB -0.200 37.941 38.000 0.235 0.000 1.071 278 I HN 0.143 nan 8.210 nan 0.000 0.419 279 R N 1.157 121.734 120.500 0.129 0.000 2.070 279 R HA -0.196 4.144 4.340 -0.000 0.000 0.233 279 R C 1.867 178.202 176.300 0.058 0.000 1.137 279 R CA 2.144 58.307 56.100 0.104 0.000 0.945 279 R CB -0.190 30.123 30.300 0.021 0.000 0.845 279 R HN 0.241 nan 8.270 nan 0.000 0.430 280 D N -0.608 119.748 120.400 -0.073 0.000 2.144 280 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 280 D C 1.733 178.005 176.300 -0.046 0.000 0.984 280 D CA 1.432 55.382 54.000 -0.083 0.000 0.834 280 D CB -0.491 40.216 40.800 -0.155 0.000 0.955 280 D HN 0.434 nan 8.370 nan 0.000 0.465 281 H N -0.258 118.744 119.070 -0.113 0.000 2.265 281 H HA -0.147 4.409 4.556 -0.000 0.000 0.295 281 H C 1.801 176.958 175.328 -0.285 0.000 1.084 281 H CA 1.776 57.686 56.048 -0.231 0.000 1.261 281 H CB -0.519 29.026 29.762 -0.362 0.000 1.360 281 H HN 0.093 nan 8.280 nan 0.000 0.487 282 F N 0.410 120.364 119.950 0.008 0.000 2.407 282 F HA 0.010 4.536 4.527 -0.000 0.000 0.299 282 F C 2.604 178.372 175.800 -0.052 0.000 1.097 282 F CA 1.028 59.009 58.000 -0.032 0.000 1.422 282 F CB -0.091 38.932 39.000 0.040 0.000 1.067 282 F HN 0.173 nan 8.300 nan 0.000 0.539 283 K N 0.713 121.164 120.400 0.085 0.000 2.148 283 K HA -0.102 4.217 4.320 -0.000 0.000 0.204 283 K C 2.135 178.739 176.600 0.006 0.000 1.050 283 K CA 1.086 57.404 56.287 0.051 0.000 0.942 283 K CB -0.138 32.380 32.500 0.030 0.000 0.724 283 K HN 0.212 nan 8.250 nan 0.000 0.446 284 A N 0.649 123.431 122.820 -0.063 0.000 1.970 284 A HA 0.014 4.334 4.320 -0.000 0.000 0.216 284 A C 1.944 179.495 177.584 -0.056 0.000 1.170 284 A CA 0.778 52.771 52.037 -0.072 0.000 0.645 284 A CB -0.209 18.716 19.000 -0.125 0.000 0.816 284 A HN 0.290 nan 8.150 nan 0.000 0.447 285 I N -1.307 119.209 120.570 -0.090 0.000 2.480 285 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 285 I C 2.567 178.784 176.117 0.166 0.000 1.124 285 I CA 0.839 62.142 61.300 0.005 0.000 1.444 285 I CB -0.172 37.773 38.000 -0.091 0.000 1.098 285 I HN 0.325 nan 8.210 nan 0.000 0.428 286 R N 1.289 121.876 120.500 0.146 0.000 2.113 286 R HA -0.203 4.137 4.340 -0.000 0.000 0.244 286 R C -0.541 175.897 176.300 0.231 0.000 1.142 286 R CA 2.097 58.310 56.100 0.188 0.000 0.953 286 R CB -1.309 29.067 30.300 0.127 0.000 0.860 286 R HN 0.189 nan 8.270 nan 0.000 0.438 287 P HA -0.207 nan 4.420 nan 0.000 0.217 287 P C 0.213 177.585 177.300 0.119 0.000 1.148 287 P CA 1.755 64.922 63.100 0.112 0.000 0.834 287 P CB -0.062 31.676 31.700 0.063 0.000 0.783 288 K N -2.258 118.226 120.400 0.140 0.000 2.442 288 K HA -0.105 4.214 4.320 -0.000 0.000 0.198 288 K C 0.675 177.231 176.600 -0.073 0.000 1.042 288 K CA 0.942 57.239 56.287 0.017 0.000 0.958 288 K CB -0.302 32.177 32.500 -0.036 0.000 0.766 288 K HN 0.318 nan 8.250 nan 0.000 0.474 289 Y N 1.043 121.410 120.300 0.111 0.000 2.607 289 Y HA 0.074 4.624 4.550 -0.000 0.000 0.266 289 Y C 1.454 177.461 175.900 0.179 0.000 1.178 289 Y CA -0.502 57.724 58.100 0.210 0.000 1.226 289 Y CB 0.080 38.654 38.460 0.190 0.000 1.144 289 Y HN 0.016 nan 8.280 nan 0.000 0.528 290 K N -0.149 120.343 120.400 0.153 0.000 2.113 290 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 290 K C 1.320 177.915 176.600 -0.010 0.000 1.047 290 K CA 1.331 57.663 56.287 0.074 0.000 0.928 290 K CB -0.106 32.409 32.500 0.025 0.000 0.716 290 K HN -0.028 nan 8.250 nan 0.000 0.446 291 K N 0.339 120.652 120.400 -0.145 0.000 2.519 291 K HA -0.072 4.248 4.320 -0.000 0.000 0.196 291 K C 0.773 177.062 176.600 -0.518 0.000 1.041 291 K CA 0.928 56.980 56.287 -0.392 0.000 0.954 291 K CB -0.095 32.031 32.500 -0.624 0.000 0.774 291 K HN 0.346 nan 8.250 nan 0.000 0.480 292 F N 0.688 120.656 119.950 0.029 0.000 2.683 292 F HA 0.185 4.712 4.527 -0.000 0.000 0.306 292 F C 0.606 176.433 175.800 0.045 0.000 1.102 292 F CA -0.570 57.450 58.000 0.033 0.000 1.244 292 F CB 0.502 39.539 39.000 0.062 0.000 1.029 292 F HN -0.228 nan 8.300 nan 0.000 0.545 293 E N 0.829 121.129 120.200 0.168 0.000 2.349 293 E HA 0.290 4.640 4.350 -0.000 0.000 0.262 293 E C 0.044 176.688 176.600 0.073 0.000 1.088 293 E CA -0.051 56.421 56.400 0.120 0.000 0.899 293 E CB 1.317 31.072 29.700 0.091 0.000 1.044 293 E HN 0.015 nan 8.360 nan 0.000 0.420 294 S N 0.990 116.724 115.700 0.057 0.000 2.669 294 S HA 0.251 4.721 4.470 -0.000 0.000 0.270 294 S C 0.585 175.199 174.600 0.023 0.000 1.225 294 S CA -0.644 57.577 58.200 0.035 0.000 0.991 294 S CB 0.874 64.089 63.200 0.026 0.000 0.987 294 S HN 0.323 nan 8.310 nan 0.000 0.552 295 K N 0.717 121.125 120.400 0.014 0.000 2.646 295 K HA 0.241 4.561 4.320 -0.000 0.000 0.206 295 K C -0.904 175.699 176.600 0.006 0.000 1.069 295 K CA 0.025 56.318 56.287 0.010 0.000 1.067 295 K CB 0.914 33.418 32.500 0.006 0.000 0.807 295 K HN 0.421 nan 8.250 nan 0.000 0.482 296 T N 0.741 115.298 114.554 0.004 0.000 2.949 296 T HA 0.285 4.635 4.350 -0.000 0.000 0.300 296 T C 0.862 175.560 174.700 -0.003 0.000 0.988 296 T CA -0.560 61.539 62.100 -0.000 0.000 0.993 296 T CB 1.541 70.406 68.868 -0.005 0.000 0.984 296 T HN 0.023 nan 8.240 nan 0.000 0.442 297 L N 2.203 123.426 121.223 -0.000 0.000 2.162 297 L HA 0.256 4.596 4.340 -0.000 0.000 0.205 297 L C 0.203 177.070 176.870 -0.005 0.000 1.086 297 L CA 0.739 55.578 54.840 -0.002 0.000 0.778 297 L CB 0.304 42.365 42.059 0.003 0.000 0.928 297 L HN 0.370 nan 8.230 nan 0.000 0.446 298 V N -0.652 119.261 119.914 -0.001 0.000 2.760 298 V HA 0.428 4.548 4.120 -0.000 0.000 0.309 298 V C -1.476 174.617 176.094 -0.001 0.000 1.077 298 V CA -0.770 61.531 62.300 0.002 0.000 0.910 298 V CB 2.416 34.248 31.823 0.015 0.000 1.008 298 V HN -0.009 nan 8.190 nan 0.000 0.424 299 D N 1.927 122.320 120.400 -0.012 0.000 2.613 299 D HA 0.320 4.960 4.640 -0.000 0.000 0.230 299 D C 0.456 176.728 176.300 -0.046 0.000 1.365 299 D CA 0.126 54.112 54.000 -0.022 0.000 0.976 299 D CB 2.251 43.028 40.800 -0.038 0.000 1.415 299 D HN 0.648 nan 8.370 nan 0.000 0.589 300 T N -0.551 114.005 114.554 0.004 0.000 3.069 300 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 300 T C 1.722 176.432 174.700 0.017 0.000 1.053 300 T CA 0.631 62.758 62.100 0.044 0.000 0.964 300 T CB -0.043 68.972 68.868 0.245 0.000 1.005 300 T HN 0.223 nan 8.240 nan 0.000 0.532 301 S N 2.285 117.978 115.700 -0.013 0.000 2.392 301 S HA -0.176 4.294 4.470 -0.000 0.000 0.232 301 S C 1.867 176.448 174.600 -0.032 0.000 1.041 301 S CA 1.040 59.240 58.200 0.000 0.000 1.026 301 S CB -1.016 62.177 63.200 -0.012 0.000 0.845 301 S HN 0.578 nan 8.310 nan 0.000 0.465 302 I N 0.227 120.711 120.570 -0.143 0.000 2.530 302 I HA -0.155 4.015 4.170 -0.000 0.000 0.257 302 I C 1.784 177.816 176.117 -0.141 0.000 1.179 302 I CA 1.339 62.529 61.300 -0.183 0.000 1.440 302 I CB -0.189 37.634 38.000 -0.295 0.000 1.087 302 I HN 0.281 nan 8.210 nan 0.000 0.440 303 F N 0.667 120.627 119.950 0.017 0.000 2.293 303 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 303 F C 2.490 178.302 175.800 0.019 0.000 1.086 303 F CA 1.121 59.134 58.000 0.021 0.000 1.375 303 F CB -0.120 38.894 39.000 0.023 0.000 1.045 303 F HN 0.020 nan 8.300 nan 0.000 0.516 304 K N 0.043 120.550 120.400 0.178 0.000 2.244 304 K HA -0.055 4.265 4.320 -0.000 0.000 0.200 304 K C 1.981 178.626 176.600 0.074 0.000 1.052 304 K CA 1.231 57.585 56.287 0.112 0.000 0.980 304 K CB 0.050 32.603 32.500 0.088 0.000 0.838 304 K HN 0.184 nan 8.250 nan 0.000 0.481 305 S N -0.420 115.310 115.700 0.050 0.000 2.511 305 S HA 0.053 4.523 4.470 -0.000 0.000 0.214 305 S C 0.511 175.129 174.600 0.031 0.000 0.997 305 S CA 0.030 58.251 58.200 0.035 0.000 0.908 305 S CB 0.245 63.455 63.200 0.018 0.000 0.803 305 S HN 0.395 nan 8.310 nan 0.000 0.504 306 Q N -0.329 119.485 119.800 0.023 0.000 2.362 306 Q HA -0.148 4.192 4.340 -0.000 0.000 0.220 306 Q C -0.773 175.224 176.000 -0.004 0.000 0.713 306 Q CA 1.223 57.036 55.803 0.016 0.000 1.345 306 Q CB -1.674 27.094 28.738 0.051 0.000 1.570 306 Q HN 0.692 nan 8.270 nan 0.000 0.701 307 I N 1.215 121.775 120.570 -0.016 0.000 2.362 307 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 307 I C -2.274 173.815 176.117 -0.047 0.000 0.994 307 I CA -2.309 58.979 61.300 -0.021 0.000 1.158 307 I CB 1.487 39.482 38.000 -0.007 0.000 1.315 307 I HN -0.243 nan 8.210 nan 0.000 0.451 308 P HA 0.137 nan 4.420 nan 0.000 0.280 308 P C 1.008 178.277 177.300 -0.051 0.000 1.244 308 P CA -0.194 62.864 63.100 -0.071 0.000 0.784 308 P CB 1.191 32.848 31.700 -0.072 0.000 0.913 309 G N 3.329 112.097 108.800 -0.055 0.000 2.624 309 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.221 309 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.221 309 G C 1.717 176.603 174.900 -0.023 0.000 1.169 309 G CA 1.201 46.280 45.100 -0.036 0.000 0.771 309 G HN 0.625 nan 8.290 nan 0.000 0.598 310 G N 0.284 109.069 108.800 -0.025 0.000 2.469 310 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 310 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 310 G C 1.796 176.694 174.900 -0.005 0.000 1.136 310 G CA 1.296 46.390 45.100 -0.011 0.000 0.759 310 G HN 0.485 nan 8.290 nan 0.000 0.562 311 M N -0.529 119.064 119.600 -0.011 0.000 2.156 311 M HA 0.121 4.601 4.480 -0.000 0.000 0.264 311 M C 2.354 178.653 176.300 -0.002 0.000 1.067 311 M CA 1.047 56.344 55.300 -0.004 0.000 1.131 311 M CB -0.095 32.501 32.600 -0.007 0.000 1.368 311 M HN 0.218 nan 8.290 nan 0.000 0.416 312 L N 0.447 121.666 121.223 -0.007 0.000 1.989 312 L HA -0.183 4.156 4.340 -0.000 0.000 0.211 312 L C 2.659 179.531 176.870 0.002 0.000 1.071 312 L CA 2.550 57.388 54.840 -0.004 0.000 0.749 312 L CB -0.932 41.122 42.059 -0.008 0.000 0.890 312 L HN 0.577 nan 8.230 nan 0.000 0.431 313 S N -0.584 115.117 115.700 0.002 0.000 2.348 313 S HA -0.271 4.199 4.470 -0.000 0.000 0.221 313 S C 1.954 176.562 174.600 0.013 0.000 1.033 313 S CA 1.384 59.588 58.200 0.008 0.000 1.010 313 S CB -1.300 61.905 63.200 0.008 0.000 0.891 313 S HN 0.628 nan 8.310 nan 0.000 0.442 314 N N 1.678 120.387 118.700 0.015 0.000 2.091 314 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 314 N C 1.834 177.358 175.510 0.022 0.000 1.021 314 N CA 2.323 55.385 53.050 0.021 0.000 0.862 314 N CB -0.502 37.998 38.487 0.021 0.000 1.018 314 N HN 0.574 nan 8.380 nan 0.000 0.429 315 M N -0.237 119.373 119.600 0.017 0.000 2.099 315 M HA -0.109 4.370 4.480 -0.000 0.000 0.262 315 M C 2.235 178.549 176.300 0.023 0.000 1.067 315 M CA 1.495 56.807 55.300 0.019 0.000 1.124 315 M CB -0.440 32.166 32.600 0.011 0.000 1.353 315 M HN 0.296 nan 8.290 nan 0.000 0.410 316 E N 0.766 120.976 120.200 0.017 0.000 2.130 316 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 316 E C 1.904 178.516 176.600 0.019 0.000 0.998 316 E CA 2.146 58.555 56.400 0.016 0.000 0.806 316 E CB 0.076 29.783 29.700 0.011 0.000 0.738 316 E HN 0.553 nan 8.360 nan 0.000 0.459 317 S N 0.096 115.810 115.700 0.022 0.000 2.368 317 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 317 S C 1.994 176.613 174.600 0.032 0.000 1.029 317 S CA 1.117 59.332 58.200 0.025 0.000 0.988 317 S CB -0.439 62.777 63.200 0.027 0.000 0.838 317 S HN 0.350 nan 8.310 nan 0.000 0.462 318 Q N 0.965 120.790 119.800 0.041 0.000 2.181 318 Q HA -0.003 4.337 4.340 -0.000 0.000 0.205 318 Q C 2.277 178.307 176.000 0.049 0.000 0.980 318 Q CA 1.444 57.282 55.803 0.058 0.000 0.862 318 Q CB -0.551 28.235 28.738 0.079 0.000 0.905 318 Q HN 0.570 nan 8.270 nan 0.000 0.429 319 L N 0.392 121.637 121.223 0.037 0.000 2.109 319 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 319 L C 2.641 179.521 176.870 0.018 0.000 1.086 319 L CA 1.143 55.999 54.840 0.027 0.000 0.760 319 L CB -0.354 41.718 42.059 0.021 0.000 0.910 319 L HN 0.265 nan 8.230 nan 0.000 0.437 320 R N 0.715 121.225 120.500 0.017 0.000 2.075 320 R HA 0.025 4.364 4.340 -0.000 0.000 0.226 320 R C 2.195 178.502 176.300 0.012 0.000 1.114 320 R CA 1.028 57.135 56.100 0.012 0.000 0.972 320 R CB -0.738 29.568 30.300 0.011 0.000 0.869 320 R HN 0.116 nan 8.270 nan 0.000 0.437 321 A N 0.865 123.696 122.820 0.017 0.000 2.234 321 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 321 A C 1.527 179.118 177.584 0.011 0.000 1.167 321 A CA 1.267 53.314 52.037 0.017 0.000 0.698 321 A CB -0.303 18.713 19.000 0.026 0.000 0.779 321 A HN 0.578 nan 8.150 nan 0.000 0.475 322 Q N -1.239 118.566 119.800 0.009 0.000 2.318 322 Q HA 0.418 4.758 4.340 -0.000 0.000 0.371 322 Q C 0.850 176.848 176.000 -0.004 0.000 0.896 322 Q CA 0.217 56.019 55.803 -0.001 0.000 1.134 322 Q CB -0.389 28.348 28.738 -0.003 0.000 1.329 322 Q HN 0.711 nan 8.270 nan 0.000 0.413 323 G N 1.635 110.434 108.800 -0.002 0.000 2.629 323 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.313 323 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.313 323 G C 0.299 175.198 174.900 -0.002 0.000 1.217 323 G CA -0.054 45.044 45.100 -0.003 0.000 0.994 323 G HN 0.958 nan 8.290 nan 0.000 0.549 324 A N 1.518 124.336 122.820 -0.004 0.000 2.522 324 A HA 0.362 4.682 4.320 -0.000 0.000 0.285 324 A C 1.636 179.220 177.584 -0.000 0.000 1.222 324 A CA 1.867 53.902 52.037 -0.003 0.000 0.931 324 A CB -0.377 18.619 19.000 -0.007 0.000 1.003 324 A HN 1.067 nan 8.150 nan 0.000 0.560 325 E N 2.920 123.122 120.200 0.002 0.000 2.250 325 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 325 E C 0.757 177.359 176.600 0.004 0.000 0.986 325 E CA 0.771 57.174 56.400 0.006 0.000 0.849 325 E CB -0.462 29.242 29.700 0.007 0.000 0.797 325 E HN 0.826 nan 8.360 nan 0.000 0.482 326 D N 2.334 122.735 120.400 0.002 0.000 2.332 326 D HA -0.240 4.400 4.640 -0.000 0.000 0.209 326 D C 1.030 177.330 176.300 0.000 0.000 0.988 326 D CA 0.863 54.864 54.000 0.001 0.000 0.912 326 D CB -0.469 40.331 40.800 -0.000 0.000 0.899 326 D HN 0.259 nan 8.370 nan 0.000 0.477 327 K N -0.545 119.855 120.400 -0.000 0.000 2.569 327 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 327 K C 1.642 178.243 176.600 0.000 0.000 1.026 327 K CA -0.184 56.102 56.287 -0.002 0.000 1.093 327 K CB -0.097 32.400 32.500 -0.003 0.000 0.849 327 K HN 0.066 nan 8.250 nan 0.000 0.509 328 M N 1.497 121.099 119.600 0.003 0.000 2.108 328 M HA -0.188 4.291 4.480 -0.000 0.000 0.261 328 M C 1.188 177.490 176.300 0.003 0.000 1.066 328 M CA 1.802 57.105 55.300 0.004 0.000 1.107 328 M CB -0.123 32.480 32.600 0.005 0.000 1.356 328 M HN 0.060 nan 8.290 nan 0.000 0.406 329 D N -0.098 120.304 120.400 0.002 0.000 2.178 329 D HA -0.159 4.481 4.640 -0.000 0.000 0.201 329 D C 1.846 178.146 176.300 0.000 0.000 0.980 329 D CA 1.279 55.280 54.000 0.003 0.000 0.842 329 D CB -0.047 40.755 40.800 0.003 0.000 0.948 329 D HN 0.608 nan 8.370 nan 0.000 0.472 330 E N 0.107 120.305 120.200 -0.003 0.000 2.051 330 E HA -0.071 4.279 4.350 -0.000 0.000 0.189 330 E C 2.342 178.935 176.600 -0.012 0.000 0.979 330 E CA 0.457 56.851 56.400 -0.009 0.000 0.803 330 E CB 0.238 29.931 29.700 -0.013 0.000 0.761 330 E HN 0.115 nan 8.360 nan 0.000 0.451 331 V N 1.441 121.350 119.914 -0.009 0.000 2.626 331 V HA -0.204 3.916 4.120 -0.000 0.000 0.252 331 V C 2.302 178.392 176.094 -0.007 0.000 1.067 331 V CA 1.343 63.636 62.300 -0.011 0.000 1.081 331 V CB -0.357 31.464 31.823 -0.002 0.000 0.686 331 V HN 0.251 nan 8.190 nan 0.000 0.468 332 M N 0.210 119.810 119.600 -0.000 0.000 2.557 332 M HA 0.039 4.519 4.480 -0.000 0.000 0.259 332 M C 1.715 178.021 176.300 0.009 0.000 1.086 332 M CA 1.468 56.771 55.300 0.005 0.000 1.096 332 M CB -0.077 32.527 32.600 0.007 0.000 1.424 332 M HN 0.318 nan 8.290 nan 0.000 0.488 333 A N -1.205 121.618 122.820 0.004 0.000 2.197 333 A HA 0.076 4.396 4.320 -0.000 0.000 0.210 333 A C 1.724 179.309 177.584 0.003 0.000 1.180 333 A CA 0.582 52.624 52.037 0.008 0.000 0.846 333 A CB -0.156 18.847 19.000 0.005 0.000 0.884 333 A HN 0.472 nan 8.150 nan 0.000 0.487 334 E N 0.165 120.357 120.200 -0.013 0.000 2.170 334 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 334 E C 1.693 178.284 176.600 -0.015 0.000 0.981 334 E CA 1.218 57.599 56.400 -0.032 0.000 0.830 334 E CB -0.350 29.312 29.700 -0.063 0.000 0.775 334 E HN 0.183 nan 8.360 nan 0.000 0.470 335 V N 1.670 121.583 119.914 -0.002 0.000 2.220 335 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 335 V C -0.591 175.528 176.094 0.040 0.000 1.056 335 V CA 2.659 64.969 62.300 0.016 0.000 1.016 335 V CB -1.644 30.192 31.823 0.021 0.000 0.639 335 V HN 0.290 nan 8.190 nan 0.000 0.446 336 P HA -0.197 nan 4.420 nan 0.000 0.218 336 P C 1.720 179.064 177.300 0.073 0.000 1.154 336 P CA 1.766 64.922 63.100 0.094 0.000 0.872 336 P CB -0.136 31.622 31.700 0.095 0.000 0.790 337 R N -1.010 119.518 120.500 0.047 0.000 2.073 337 R HA -0.033 4.306 4.340 -0.000 0.000 0.229 337 R C 2.157 178.487 176.300 0.050 0.000 1.120 337 R CA 1.051 57.174 56.100 0.039 0.000 0.967 337 R CB -1.089 29.228 30.300 0.028 0.000 0.862 337 R HN 0.117 nan 8.270 nan 0.000 0.436 338 V N 1.144 121.096 119.914 0.064 0.000 2.307 338 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 338 V C 2.491 178.645 176.094 0.100 0.000 1.045 338 V CA 1.767 64.149 62.300 0.135 0.000 1.024 338 V CB -0.573 31.293 31.823 0.071 0.000 0.651 338 V HN 0.309 nan 8.190 nan 0.000 0.449 339 R N 0.670 121.189 120.500 0.033 0.000 2.097 339 R HA -0.275 4.065 4.340 -0.000 0.000 0.236 339 R C 2.460 178.581 176.300 -0.298 0.000 1.135 339 R CA 2.486 58.569 56.100 -0.028 0.000 0.934 339 R CB -0.435 29.894 30.300 0.048 0.000 0.846 339 R HN 0.489 nan 8.270 nan 0.000 0.431 340 K N -0.136 119.944 120.400 -0.533 0.000 2.059 340 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 340 K C 1.916 178.201 176.600 -0.525 0.000 1.050 340 K CA 1.879 57.519 56.287 -1.080 0.000 0.927 340 K CB -0.297 31.882 32.500 -0.536 0.000 0.714 340 K HN 0.339 nan 8.250 nan 0.000 0.447 341 A N 0.705 123.407 122.820 -0.196 0.000 1.940 341 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 341 A C 2.198 179.718 177.584 -0.105 0.000 1.176 341 A CA 1.875 53.867 52.037 -0.076 0.000 0.631 341 A CB -0.647 18.398 19.000 0.074 0.000 0.814 341 A HN 0.515 nan 8.150 nan 0.000 0.446 342 A N -2.018 120.747 122.820 -0.091 0.000 2.238 342 A HA 0.419 4.739 4.320 -0.000 0.000 0.208 342 A C 1.647 179.171 177.584 -0.101 0.000 1.177 342 A CA 1.182 53.156 52.037 -0.104 0.000 0.804 342 A CB -0.811 18.174 19.000 -0.025 0.000 0.823 342 A HN 1.919 nan 8.150 nan 0.000 0.482 343 G N -2.034 106.668 108.800 -0.164 0.000 2.131 343 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.201 343 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.201 343 G C 0.289 175.243 174.900 0.090 0.000 1.000 343 G CA -0.348 44.712 45.100 -0.067 0.000 0.680 343 G HN 0.878 nan 8.290 nan 0.000 0.514 344 F N -1.231 118.767 119.950 0.080 0.000 2.905 344 F HA -0.155 4.372 4.527 -0.000 0.000 0.291 344 F C -1.186 174.697 175.800 0.139 0.000 1.002 344 F CA 0.444 58.510 58.000 0.111 0.000 0.978 344 F CB -1.251 37.832 39.000 0.138 0.000 1.036 344 F HN 0.328 nan 8.300 nan 0.000 0.820 345 P HA 0.203 nan 4.420 nan 0.000 0.278 345 P C -2.453 174.924 177.300 0.129 0.000 1.238 345 P CA -1.503 61.699 63.100 0.171 0.000 0.794 345 P CB 0.680 32.449 31.700 0.114 0.000 0.955 346 P HA 0.097 nan 4.420 nan 0.000 0.265 346 P C -0.039 177.281 177.300 0.033 0.000 1.193 346 P CA 0.420 63.523 63.100 0.003 0.000 0.765 346 P CB 0.223 31.928 31.700 0.009 0.000 0.823 347 L N 3.749 124.979 121.223 0.011 0.000 2.423 347 L HA 0.183 4.523 4.340 -0.000 0.000 0.249 347 L C 0.483 177.356 176.870 0.005 0.000 1.276 347 L CA -0.327 54.525 54.840 0.019 0.000 1.199 347 L CB -0.767 41.300 42.059 0.013 0.000 1.407 347 L HN 0.207 nan 8.230 nan 0.000 0.410 348 V N -2.250 117.679 119.914 0.024 0.000 3.158 348 V HA 0.569 4.688 4.120 -0.000 0.000 0.315 348 V C 0.469 176.586 176.094 0.039 0.000 1.148 348 V CA -0.855 61.459 62.300 0.023 0.000 1.042 348 V CB 1.549 33.400 31.823 0.048 0.000 1.101 348 V HN 0.262 nan 8.190 nan 0.000 0.448 349 T N 3.307 117.886 114.554 0.042 0.000 2.928 349 T HA 0.257 4.607 4.350 -0.000 0.000 0.305 349 T C -1.533 173.188 174.700 0.034 0.000 1.035 349 T CA 0.256 62.379 62.100 0.039 0.000 1.145 349 T CB 0.886 69.782 68.868 0.047 0.000 0.963 349 T HN 0.856 nan 8.240 nan 0.000 0.545 350 P HA 0.130 nan 4.420 nan 0.000 0.252 350 P C 1.312 178.616 177.300 0.006 0.000 1.218 350 P CA 0.058 63.144 63.100 -0.023 0.000 0.807 350 P CB 0.301 31.948 31.700 -0.089 0.000 1.072 351 S N 1.499 117.207 115.700 0.014 0.000 2.372 351 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 351 S C 2.175 176.813 174.600 0.062 0.000 1.044 351 S CA 2.329 60.563 58.200 0.057 0.000 1.050 351 S CB -1.059 62.179 63.200 0.063 0.000 0.901 351 S HN 0.469 nan 8.310 nan 0.000 0.447 352 S N 1.780 117.506 115.700 0.043 0.000 2.370 352 S HA -0.241 4.229 4.470 -0.000 0.000 0.226 352 S C 1.811 176.429 174.600 0.030 0.000 1.033 352 S CA 1.375 59.595 58.200 0.033 0.000 1.011 352 S CB -0.600 62.610 63.200 0.017 0.000 0.852 352 S HN 0.512 nan 8.310 nan 0.000 0.457 353 Q N 1.164 120.981 119.800 0.029 0.000 2.123 353 Q HA 0.275 4.615 4.340 -0.000 0.000 0.199 353 Q C 2.234 178.246 176.000 0.020 0.000 0.966 353 Q CA 1.219 57.034 55.803 0.021 0.000 0.845 353 Q CB -0.563 28.190 28.738 0.025 0.000 0.907 353 Q HN 0.616 nan 8.270 nan 0.000 0.439 354 I N -0.332 120.272 120.570 0.058 0.000 2.163 354 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 354 I C 1.938 178.123 176.117 0.114 0.000 1.085 354 I CA 0.956 62.319 61.300 0.104 0.000 1.347 354 I CB -0.350 37.758 38.000 0.180 0.000 1.044 354 I HN 0.057 nan 8.210 nan 0.000 0.408 355 V N 1.006 120.990 119.914 0.117 0.000 2.323 355 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 355 V C 2.619 178.712 176.094 -0.001 0.000 1.041 355 V CA 2.101 64.463 62.300 0.104 0.000 1.025 355 V CB -1.296 30.591 31.823 0.107 0.000 0.656 355 V HN 0.548 nan 8.190 nan 0.000 0.451 356 G N -0.341 108.456 108.800 -0.005 0.000 2.459 356 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 356 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 356 G C 1.710 176.561 174.900 -0.081 0.000 1.183 356 G CA 1.727 46.810 45.100 -0.029 0.000 0.776 356 G HN 0.442 nan 8.290 nan 0.000 0.552 357 T N 0.521 115.001 114.554 -0.123 0.000 2.622 357 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 357 T C 2.368 176.784 174.700 -0.472 0.000 1.047 357 T CA 1.864 63.806 62.100 -0.263 0.000 1.159 357 T CB -0.307 68.376 68.868 -0.310 0.000 0.863 357 T HN 0.331 nan 8.240 nan 0.000 0.422 358 Q N 1.341 120.865 119.800 -0.461 0.000 2.152 358 Q HA -0.058 4.282 4.340 -0.000 0.000 0.206 358 Q C 2.239 178.049 176.000 -0.317 0.000 0.985 358 Q CA 2.004 57.485 55.803 -0.538 0.000 0.863 358 Q CB -0.847 27.463 28.738 -0.713 0.000 0.904 358 Q HN 0.528 nan 8.270 nan 0.000 0.422 359 A N -0.747 121.949 122.820 -0.207 0.000 1.940 359 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 359 A C 2.272 179.818 177.584 -0.063 0.000 1.176 359 A CA 1.697 53.661 52.037 -0.122 0.000 0.631 359 A CB -0.770 18.189 19.000 -0.069 0.000 0.814 359 A HN 0.281 nan 8.150 nan 0.000 0.446 360 V N -1.036 118.868 119.914 -0.017 0.000 2.270 360 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 360 V C 2.156 178.390 176.094 0.232 0.000 1.043 360 V CA 1.773 64.139 62.300 0.110 0.000 1.014 360 V CB -0.976 30.960 31.823 0.188 0.000 0.645 360 V HN 0.671 nan 8.190 nan 0.000 0.447 361 F N 0.400 120.299 119.950 -0.084 0.000 2.664 361 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 361 F C 1.963 177.691 175.800 -0.120 0.000 1.164 361 F CA 0.371 58.322 58.000 -0.082 0.000 1.472 361 F CB -0.279 38.679 39.000 -0.070 0.000 1.108 361 F HN 0.308 nan 8.300 nan 0.000 0.596 362 N N -0.752 117.960 118.700 0.020 0.000 2.414 362 N HA 0.003 4.743 4.740 -0.000 0.000 0.177 362 N C 1.615 177.065 175.510 -0.099 0.000 1.062 362 N CA 0.392 53.361 53.050 -0.135 0.000 0.890 362 N CB 0.093 38.404 38.487 -0.294 0.000 1.070 362 N HN -0.007 nan 8.380 nan 0.000 0.454 363 V N 0.662 120.548 119.914 -0.047 0.000 3.052 363 V HA 0.083 4.203 4.120 -0.000 0.000 0.254 363 V C 1.533 177.611 176.094 -0.027 0.000 1.100 363 V CA 0.894 63.171 62.300 -0.038 0.000 1.112 363 V CB -0.147 31.663 31.823 -0.021 0.000 0.738 363 V HN 0.181 nan 8.190 nan 0.000 0.469 364 M N -0.866 118.725 119.600 -0.015 0.000 2.018 364 M HA 0.183 4.663 4.480 -0.000 0.000 0.190 364 M C 2.079 178.347 176.300 -0.054 0.000 1.341 364 M CA 1.378 56.656 55.300 -0.036 0.000 1.140 364 M CB -1.101 31.467 32.600 -0.053 0.000 0.956 364 M HN 0.150 nan 8.290 nan 0.000 0.429 365 M N 0.158 119.714 119.600 -0.073 0.000 2.082 365 M HA -0.002 4.477 4.480 -0.000 0.000 0.258 365 M C 0.954 177.225 176.300 -0.048 0.000 1.069 365 M CA 1.646 56.905 55.300 -0.069 0.000 1.102 365 M CB -0.593 31.958 32.600 -0.082 0.000 1.336 365 M HN 0.629 nan 8.290 nan 0.000 0.404 366 G N -1.131 107.640 108.800 -0.048 0.000 2.347 366 G HA2 0.098 4.058 3.960 -0.000 0.000 0.303 366 G HA3 0.098 4.058 3.960 -0.000 0.000 0.303 366 G C -1.585 173.252 174.900 -0.106 0.000 1.481 366 G CA -1.003 44.060 45.100 -0.063 0.000 0.914 366 G HN 0.145 nan 8.290 nan 0.000 0.638 367 E N 0.350 120.449 120.200 -0.167 0.000 2.341 367 E HA 0.235 4.585 4.350 -0.000 0.000 0.256 367 E C 0.024 176.457 176.600 -0.278 0.000 1.125 367 E CA 0.092 56.266 56.400 -0.377 0.000 0.939 367 E CB -0.403 29.078 29.700 -0.365 0.000 0.991 367 E HN 0.656 nan 8.360 nan 0.000 0.458 368 Y N 1.528 121.811 120.300 -0.029 0.000 4.324 368 Y HA -0.375 4.174 4.550 -0.000 0.000 0.224 368 Y C 1.581 177.491 175.900 0.016 0.000 1.113 368 Y CA 0.793 58.883 58.100 -0.015 0.000 1.887 368 Y CB -1.279 37.185 38.460 0.007 0.000 1.602 368 Y HN 0.595 nan 8.280 nan 0.000 0.654 369 K N 1.517 121.973 120.400 0.094 0.000 2.209 369 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 369 K C 0.893 177.542 176.600 0.082 0.000 1.048 369 K CA 1.490 57.818 56.287 0.068 0.000 0.940 369 K CB 0.161 32.672 32.500 0.019 0.000 0.729 369 K HN 0.402 nan 8.250 nan 0.000 0.451 370 R N 0.327 120.895 120.500 0.113 0.000 2.515 370 R HA 0.254 4.594 4.340 -0.000 0.000 0.278 370 R C -1.585 174.854 176.300 0.231 0.000 1.107 370 R CA -0.449 55.732 56.100 0.135 0.000 0.945 370 R CB 1.078 31.424 30.300 0.077 0.000 1.219 370 R HN -0.008 nan 8.270 nan 0.000 0.434 371 M N 2.562 122.291 119.600 0.215 0.000 2.508 371 M HA 0.309 4.788 4.480 -0.000 0.000 0.327 371 M C 0.430 176.861 176.300 0.218 0.000 1.160 371 M CA -0.975 54.456 55.300 0.219 0.000 0.980 371 M CB 2.282 35.048 32.600 0.277 0.000 1.693 371 M HN 0.755 nan 8.290 nan 0.000 0.452 372 T N -0.980 113.668 114.554 0.157 0.000 2.813 372 T HA 0.241 4.591 4.350 -0.000 0.000 0.297 372 T C 1.225 175.993 174.700 0.113 0.000 1.036 372 T CA -0.165 62.014 62.100 0.131 0.000 1.044 372 T CB 0.892 69.764 68.868 0.007 0.000 0.993 372 T HN 0.834 nan 8.240 nan 0.000 0.535 373 G N 0.300 109.141 108.800 0.069 0.000 2.422 373 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 373 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 373 G C 1.218 176.100 174.900 -0.029 0.000 1.140 373 G CA 0.536 45.639 45.100 0.006 0.000 0.775 373 G HN 0.828 nan 8.290 nan 0.000 0.545 374 E N -0.032 120.190 120.200 0.036 0.000 2.028 374 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 374 E C 1.942 178.554 176.600 0.020 0.000 0.988 374 E CA 0.717 57.156 56.400 0.066 0.000 0.799 374 E CB -0.403 29.395 29.700 0.164 0.000 0.755 374 E HN 0.368 nan 8.360 nan 0.000 0.447 375 F N 1.593 121.514 119.950 -0.049 0.000 2.095 375 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 375 F C 2.213 177.948 175.800 -0.110 0.000 1.104 375 F CA 1.562 59.525 58.000 -0.061 0.000 1.232 375 F CB -0.608 38.355 39.000 -0.062 0.000 0.987 375 F HN 0.022 nan 8.300 nan 0.000 0.475 376 A N -0.101 122.676 122.820 -0.072 0.000 1.917 376 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 376 A C 1.955 179.343 177.584 -0.327 0.000 1.182 376 A CA 2.244 54.170 52.037 -0.185 0.000 0.633 376 A CB -1.163 17.782 19.000 -0.091 0.000 0.819 376 A HN 0.472 nan 8.150 nan 0.000 0.448 377 D N -0.271 119.900 120.400 -0.381 0.000 2.144 377 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 377 D C 1.826 177.810 176.300 -0.527 0.000 0.984 377 D CA 0.968 54.651 54.000 -0.529 0.000 0.834 377 D CB -0.219 40.106 40.800 -0.792 0.000 0.955 377 D HN 0.530 nan 8.370 nan 0.000 0.465 378 I N 0.112 120.370 120.570 -0.520 0.000 2.286 378 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 378 I C 2.039 177.948 176.117 -0.347 0.000 1.104 378 I CA 0.680 61.773 61.300 -0.345 0.000 1.397 378 I CB -0.177 37.676 38.000 -0.245 0.000 1.072 378 I HN 0.028 nan 8.210 nan 0.000 0.417 379 M N 0.260 119.548 119.600 -0.520 0.000 2.279 379 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 379 M C 2.187 178.347 176.300 -0.233 0.000 1.062 379 M CA 1.620 56.666 55.300 -0.424 0.000 1.099 379 M CB -0.859 31.424 32.600 -0.529 0.000 1.394 379 M HN 0.272 nan 8.290 nan 0.000 0.426 380 L N -1.377 119.741 121.223 -0.176 0.000 2.477 380 L HA 0.210 4.550 4.340 -0.000 0.000 0.220 380 L C 1.400 178.254 176.870 -0.027 0.000 1.106 380 L CA 0.481 55.298 54.840 -0.037 0.000 0.851 380 L CB -0.231 41.875 42.059 0.079 0.000 0.994 380 L HN 0.527 nan 8.230 nan 0.000 0.462 381 G N -1.224 107.528 108.800 -0.079 0.000 2.144 381 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 381 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 381 G C 0.312 175.084 174.900 -0.214 0.000 0.988 381 G CA -0.189 44.826 45.100 -0.140 0.000 0.659 381 G HN 0.247 nan 8.290 nan 0.000 0.522 382 Y N -0.428 119.692 120.300 -0.300 0.000 2.583 382 Y HA 0.251 4.800 4.550 -0.000 0.000 0.293 382 Y C 2.087 177.800 175.900 -0.312 0.000 1.157 382 Y CA 0.996 58.895 58.100 -0.335 0.000 1.315 382 Y CB -0.088 38.136 38.460 -0.393 0.000 1.021 382 Y HN 0.579 nan 8.280 nan 0.000 0.536 383 Y N -0.912 119.317 120.300 -0.118 0.000 2.467 383 Y HA 0.419 4.969 4.550 -0.000 0.000 0.250 383 Y C 1.392 177.272 175.900 -0.034 0.000 1.155 383 Y CA -0.185 57.847 58.100 -0.113 0.000 1.249 383 Y CB 0.706 39.151 38.460 -0.027 0.000 1.146 383 Y HN 0.064 nan 8.280 nan 0.000 0.524 384 G N 0.849 109.681 108.800 0.054 0.000 2.362 384 G HA2 0.127 4.087 3.960 -0.000 0.000 0.517 384 G HA3 0.127 4.087 3.960 -0.000 0.000 0.517 384 G C -1.354 173.550 174.900 0.007 0.000 1.256 384 G CA -0.696 44.426 45.100 0.037 0.000 1.027 384 G HN 0.284 nan 8.290 nan 0.000 0.491 385 A N -0.371 122.456 122.820 0.012 0.000 2.310 385 A HA 0.830 5.150 4.320 -0.000 0.000 0.299 385 A C 0.702 178.302 177.584 0.026 0.000 1.147 385 A CA 0.823 52.861 52.037 0.002 0.000 0.818 385 A CB 0.711 19.710 19.000 -0.002 0.000 1.096 385 A HN 1.783 nan 8.150 nan 0.000 0.495 386 S N 2.036 117.747 115.700 0.018 0.000 2.672 386 S HA 0.405 4.875 4.470 -0.000 0.000 0.276 386 S C -1.780 172.851 174.600 0.053 0.000 1.207 386 S CA -0.857 57.370 58.200 0.046 0.000 1.002 386 S CB 0.856 64.072 63.200 0.026 0.000 0.998 386 S HN 0.583 nan 8.310 nan 0.000 0.542 387 P HA 0.097 nan 4.420 nan 0.000 0.218 387 P C -0.279 177.017 177.300 -0.006 0.000 1.149 387 P CA 0.879 63.997 63.100 0.030 0.000 0.817 387 P CB 0.193 31.934 31.700 0.067 0.000 0.785 388 A N -0.976 121.883 122.820 0.064 0.000 2.454 388 A HA 0.400 4.720 4.320 -0.000 0.000 0.302 388 A C -0.897 176.712 177.584 0.042 0.000 1.079 388 A CA -0.713 51.364 52.037 0.066 0.000 0.731 388 A CB 0.886 19.994 19.000 0.179 0.000 1.299 388 A HN -0.185 nan 8.150 nan 0.000 0.413 389 D N 1.390 121.802 120.400 0.020 0.000 2.472 389 D HA 0.101 4.741 4.640 -0.000 0.000 0.237 389 D C 0.211 176.500 176.300 -0.018 0.000 1.141 389 D CA 0.780 54.777 54.000 -0.004 0.000 0.875 389 D CB 0.572 41.368 40.800 -0.006 0.000 1.192 389 D HN 0.402 nan 8.370 nan 0.000 0.450 390 R N 1.161 121.635 120.500 -0.044 0.000 2.490 390 R HA 0.068 4.408 4.340 -0.000 0.000 0.278 390 R C 0.212 176.475 176.300 -0.063 0.000 1.069 390 R CA -0.687 55.368 56.100 -0.073 0.000 1.080 390 R CB 0.602 30.840 30.300 -0.103 0.000 1.030 390 R HN 0.343 nan 8.270 nan 0.000 0.491 391 D N 3.271 123.630 120.400 -0.068 0.000 2.402 391 D HA -0.019 4.621 4.640 -0.000 0.000 0.268 391 D C -1.560 174.709 176.300 -0.052 0.000 1.294 391 D CA -1.576 52.396 54.000 -0.046 0.000 0.945 391 D CB 0.985 41.764 40.800 -0.036 0.000 1.112 391 D HN 0.217 nan 8.370 nan 0.000 0.517 392 P HA -0.195 nan 4.420 nan 0.000 0.217 392 P C 1.235 178.514 177.300 -0.035 0.000 1.148 392 P CA 1.165 64.243 63.100 -0.036 0.000 0.828 392 P CB 0.312 31.999 31.700 -0.023 0.000 0.783 393 K N -0.349 120.037 120.400 -0.023 0.000 1.969 393 K HA -0.080 4.240 4.320 -0.000 0.000 0.216 393 K C 2.071 178.648 176.600 -0.039 0.000 1.048 393 K CA 1.240 57.519 56.287 -0.013 0.000 0.948 393 K CB -1.629 30.879 32.500 0.015 0.000 0.726 393 K HN 0.060 nan 8.250 nan 0.000 0.442 394 V N 1.895 121.762 119.914 -0.078 0.000 2.546 394 V HA -0.200 3.920 4.120 -0.000 0.000 0.254 394 V C 2.579 178.585 176.094 -0.147 0.000 1.076 394 V CA 1.319 63.508 62.300 -0.184 0.000 1.087 394 V CB -0.566 31.049 31.823 -0.346 0.000 0.674 394 V HN 0.016 nan 8.190 nan 0.000 0.470 395 V N -0.055 119.789 119.914 -0.116 0.000 2.261 395 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 395 V C 2.439 178.487 176.094 -0.075 0.000 1.047 395 V CA 2.510 64.745 62.300 -0.109 0.000 1.015 395 V CB -0.671 31.099 31.823 -0.088 0.000 0.642 395 V HN 0.567 nan 8.190 nan 0.000 0.446 396 K N -0.117 120.252 120.400 -0.052 0.000 2.020 396 K HA -0.214 4.106 4.320 -0.000 0.000 0.212 396 K C 2.197 178.781 176.600 -0.026 0.000 1.050 396 K CA 1.852 58.120 56.287 -0.032 0.000 0.929 396 K CB -0.342 32.146 32.500 -0.020 0.000 0.714 396 K HN 0.364 nan 8.250 nan 0.000 0.443 397 L N 0.350 121.559 121.223 -0.024 0.000 2.081 397 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 397 L C 2.603 179.470 176.870 -0.005 0.000 1.080 397 L CA 1.457 56.296 54.840 -0.003 0.000 0.754 397 L CB -0.517 41.547 42.059 0.008 0.000 0.893 397 L HN 0.379 nan 8.230 nan 0.000 0.433 398 A N -0.481 122.320 122.820 -0.032 0.000 1.929 398 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 398 A C 2.207 179.766 177.584 -0.043 0.000 1.176 398 A CA 1.546 53.562 52.037 -0.035 0.000 0.628 398 A CB -0.428 18.519 19.000 -0.089 0.000 0.816 398 A HN 0.472 nan 8.150 nan 0.000 0.444 399 E N 0.165 120.340 120.200 -0.042 0.000 2.085 399 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 399 E C 1.808 178.394 176.600 -0.025 0.000 0.994 399 E CA 1.730 58.110 56.400 -0.033 0.000 0.801 399 E CB -0.153 29.531 29.700 -0.026 0.000 0.743 399 E HN 0.743 nan 8.360 nan 0.000 0.453 400 E N -0.079 120.112 120.200 -0.015 0.000 2.107 400 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 400 E C 2.043 178.640 176.600 -0.004 0.000 0.982 400 E CA 1.004 57.400 56.400 -0.007 0.000 0.809 400 E CB -0.025 29.676 29.700 0.001 0.000 0.756 400 E HN 0.315 nan 8.360 nan 0.000 0.459 401 Q N 0.399 120.200 119.800 0.001 0.000 2.389 401 Q HA -0.068 4.271 4.340 -0.000 0.000 0.204 401 Q C 1.844 177.839 176.000 -0.008 0.000 0.944 401 Q CA 1.281 57.090 55.803 0.009 0.000 0.908 401 Q CB 0.291 29.050 28.738 0.034 0.000 1.002 401 Q HN 0.233 nan 8.270 nan 0.000 0.493 402 S N -2.426 113.256 115.700 -0.030 0.000 2.566 402 S HA 0.315 4.785 4.470 -0.000 0.000 0.234 402 S C 1.491 176.056 174.600 -0.058 0.000 1.075 402 S CA 0.612 58.777 58.200 -0.058 0.000 0.926 402 S CB 0.613 63.751 63.200 -0.104 0.000 0.811 402 S HN 0.551 nan 8.310 nan 0.000 0.518 403 G N 1.333 110.104 108.800 -0.048 0.000 2.194 403 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.236 403 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.236 403 G C -0.078 174.795 174.900 -0.045 0.000 0.987 403 G CA 0.108 45.185 45.100 -0.039 0.000 0.635 403 G HN 0.615 nan 8.290 nan 0.000 0.520 404 K N 0.935 121.291 120.400 -0.073 0.000 2.185 404 K HA 0.495 4.815 4.320 -0.000 0.000 0.271 404 K C 0.282 176.883 176.600 0.001 0.000 1.013 404 K CA -0.283 55.964 56.287 -0.068 0.000 0.943 404 K CB 0.937 33.306 32.500 -0.219 0.000 0.998 404 K HN 0.190 nan 8.250 nan 0.000 0.468 405 K N 2.455 122.893 120.400 0.063 0.000 2.110 405 K HA 0.295 4.614 4.320 -0.000 0.000 0.263 405 K C -2.490 174.170 176.600 0.101 0.000 0.975 405 K CA -2.018 54.301 56.287 0.054 0.000 0.895 405 K CB 0.763 33.280 32.500 0.029 0.000 1.060 405 K HN 0.274 nan 8.250 nan 0.000 0.448 406 P HA 0.054 nan 4.420 nan 0.000 0.271 406 P C -0.574 176.676 177.300 -0.083 0.000 1.216 406 P CA -0.081 63.019 63.100 0.000 0.000 0.771 406 P CB 0.346 32.026 31.700 -0.034 0.000 0.864 407 I N -0.805 119.642 120.570 -0.206 0.000 2.910 407 I HA 0.704 4.874 4.170 -0.000 0.000 0.310 407 I C 0.426 176.412 176.117 -0.217 0.000 1.043 407 I CA -0.645 60.489 61.300 -0.276 0.000 1.053 407 I CB 2.571 40.262 38.000 -0.515 0.000 1.242 407 I HN 0.315 nan 8.210 nan 0.000 0.452 408 T N -1.667 112.784 114.554 -0.171 0.000 3.130 408 T HA 0.215 4.564 4.350 -0.000 0.000 0.288 408 T C 0.377 175.012 174.700 -0.108 0.000 0.936 408 T CA -0.154 61.872 62.100 -0.124 0.000 0.897 408 T CB -0.017 68.800 68.868 -0.086 0.000 1.178 408 T HN 0.681 nan 8.240 nan 0.000 0.543 409 Q N 2.266 121.991 119.800 -0.125 0.000 2.212 409 Q HA 0.472 4.812 4.340 -0.000 0.000 0.238 409 Q C 0.018 175.958 176.000 -0.100 0.000 0.955 409 Q CA -0.957 54.789 55.803 -0.095 0.000 0.906 409 Q CB 1.109 29.794 28.738 -0.088 0.000 1.215 409 Q HN 0.362 nan 8.270 nan 0.000 0.478 410 R N 2.745 123.208 120.500 -0.062 0.000 2.485 410 R HA -0.069 4.270 4.340 -0.000 0.000 0.304 410 R C -1.714 174.549 176.300 -0.062 0.000 0.934 410 R CA -0.589 55.490 56.100 -0.034 0.000 1.102 410 R CB 0.074 30.368 30.300 -0.011 0.000 0.906 410 R HN 0.546 nan 8.270 nan 0.000 0.407 411 P HA -0.223 nan 4.420 nan 0.000 0.216 411 P C 0.577 177.835 177.300 -0.070 0.000 1.154 411 P CA 1.936 64.939 63.100 -0.162 0.000 0.865 411 P CB 0.123 31.629 31.700 -0.324 0.000 0.789 412 A N -0.694 122.150 122.820 0.039 0.000 2.172 412 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 412 A C 1.702 179.281 177.584 -0.010 0.000 1.154 412 A CA 1.624 53.687 52.037 0.043 0.000 0.701 412 A CB -1.331 17.716 19.000 0.079 0.000 0.789 412 A HN 0.095 nan 8.150 nan 0.000 0.465 413 D N -0.270 120.110 120.400 -0.034 0.000 2.309 413 D HA -0.055 4.584 4.640 -0.000 0.000 0.212 413 D C 1.451 177.725 176.300 -0.043 0.000 0.968 413 D CA 0.887 54.859 54.000 -0.046 0.000 0.882 413 D CB -0.048 40.718 40.800 -0.057 0.000 0.918 413 D HN 0.536 nan 8.370 nan 0.000 0.503 414 L N -0.600 120.596 121.223 -0.046 0.000 2.616 414 L HA 0.217 4.556 4.340 -0.000 0.000 0.229 414 L C 0.425 177.288 176.870 -0.012 0.000 1.110 414 L CA -0.137 54.682 54.840 -0.035 0.000 0.884 414 L CB 0.171 42.200 42.059 -0.051 0.000 1.115 414 L HN -0.109 nan 8.230 nan 0.000 0.481 415 L N 2.871 124.090 121.223 -0.006 0.000 2.380 415 L HA 0.284 4.624 4.340 -0.000 0.000 0.273 415 L C -1.923 174.961 176.870 0.023 0.000 1.138 415 L CA -1.551 53.296 54.840 0.012 0.000 0.832 415 L CB 0.451 42.523 42.059 0.021 0.000 1.124 415 L HN -0.129 nan 8.230 nan 0.000 0.454 416 P HA 0.390 nan 4.420 nan 0.000 0.281 416 P C -2.717 174.624 177.300 0.068 0.000 1.264 416 P CA -2.182 60.942 63.100 0.041 0.000 0.824 416 P CB 0.486 32.209 31.700 0.038 0.000 1.092 417 P HA 0.025 nan 4.420 nan 0.000 0.267 417 P C 0.413 177.794 177.300 0.134 0.000 1.200 417 P CA 0.559 63.727 63.100 0.113 0.000 0.772 417 P CB 0.235 31.996 31.700 0.101 0.000 0.855 418 E N 1.250 121.565 120.200 0.192 0.000 2.653 418 E HA -0.006 4.344 4.350 -0.000 0.000 0.218 418 E C 1.244 177.975 176.600 0.218 0.000 0.911 418 E CA -0.394 56.115 56.400 0.182 0.000 1.355 418 E CB -0.777 29.034 29.700 0.186 0.000 1.314 418 E HN 0.444 nan 8.360 nan 0.000 0.686 419 W N 2.592 123.955 121.300 0.106 0.000 2.301 419 W HA -0.263 4.396 4.660 -0.000 0.000 0.325 419 W C 1.402 177.980 176.519 0.098 0.000 1.250 419 W CA 2.500 59.911 57.345 0.110 0.000 1.261 419 W CB 0.060 29.576 29.460 0.092 0.000 1.157 419 W HN 0.118 nan 8.180 nan 0.000 0.473 420 E N 0.388 120.649 120.200 0.102 0.000 2.058 420 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 420 E C 2.099 178.644 176.600 -0.092 0.000 0.997 420 E CA 2.092 58.476 56.400 -0.028 0.000 0.801 420 E CB -0.667 29.076 29.700 0.071 0.000 0.746 420 E HN 0.241 nan 8.360 nan 0.000 0.450 421 K N -0.145 120.245 120.400 -0.017 0.000 2.097 421 K HA -0.195 4.125 4.320 -0.000 0.000 0.206 421 K C 1.978 178.561 176.600 -0.027 0.000 1.049 421 K CA 1.199 57.482 56.287 -0.006 0.000 0.933 421 K CB 0.111 32.640 32.500 0.048 0.000 0.717 421 K HN 0.044 nan 8.250 nan 0.000 0.442 422 Q N 0.302 120.069 119.800 -0.055 0.000 2.020 422 Q HA -0.072 4.268 4.340 -0.000 0.000 0.198 422 Q C 2.316 178.179 176.000 -0.230 0.000 0.974 422 Q CA 1.353 57.143 55.803 -0.022 0.000 0.829 422 Q CB -0.405 28.313 28.738 -0.034 0.000 0.894 422 Q HN 0.245 nan 8.270 nan 0.000 0.433 423 S N 1.260 116.661 115.700 -0.498 0.000 2.369 423 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 423 S C 1.825 176.190 174.600 -0.391 0.000 1.043 423 S CA 1.460 59.355 58.200 -0.508 0.000 1.074 423 S CB -0.086 62.803 63.200 -0.518 0.000 0.962 423 S HN 0.259 nan 8.310 nan 0.000 0.433 424 K N 1.375 121.602 120.400 -0.289 0.000 1.991 424 K HA -0.092 4.228 4.320 -0.000 0.000 0.212 424 K C 2.052 178.447 176.600 -0.342 0.000 1.049 424 K CA 1.373 57.503 56.287 -0.261 0.000 0.932 424 K CB -0.947 31.458 32.500 -0.158 0.000 0.717 424 K HN 0.531 nan 8.250 nan 0.000 0.441 425 E N 0.763 120.785 120.200 -0.296 0.000 2.065 425 E HA -0.223 4.127 4.350 -0.000 0.000 0.201 425 E C 2.041 178.221 176.600 -0.701 0.000 1.016 425 E CA 1.576 57.756 56.400 -0.367 0.000 0.818 425 E CB -0.252 29.339 29.700 -0.182 0.000 0.749 425 E HN 0.374 nan 8.360 nan 0.000 0.453 426 A N 1.315 123.581 122.820 -0.923 0.000 1.972 426 A HA -0.028 4.291 4.320 -0.000 0.000 0.219 426 A C 2.340 179.253 177.584 -1.118 0.000 1.169 426 A CA 1.467 52.932 52.037 -0.953 0.000 0.635 426 A CB -0.425 18.303 19.000 -0.454 0.000 0.810 426 A HN 0.286 nan 8.150 nan 0.000 0.446 427 A N -0.319 121.754 122.820 -1.244 0.000 2.172 427 A HA 0.014 4.333 4.320 -0.000 0.000 0.216 427 A C 2.126 179.340 177.584 -0.617 0.000 1.154 427 A CA 1.961 53.211 52.037 -1.312 0.000 0.701 427 A CB -0.939 17.602 19.000 -0.766 0.000 0.789 427 A HN 0.755 nan 8.150 nan 0.000 0.465 428 T N -2.721 111.561 114.554 -0.452 0.000 3.060 428 T HA 0.399 4.749 4.350 -0.000 0.000 0.249 428 T C 0.392 174.998 174.700 -0.157 0.000 1.079 428 T CA -0.247 61.708 62.100 -0.241 0.000 1.013 428 T CB -0.442 68.314 68.868 -0.187 0.000 0.975 428 T HN 0.197 nan 8.240 nan 0.000 0.518 429 L N 2.229 123.355 121.223 -0.163 0.000 2.331 429 L HA 0.376 4.716 4.340 -0.000 0.000 0.278 429 L C 0.560 177.455 176.870 0.042 0.000 1.106 429 L CA -0.867 53.981 54.840 0.012 0.000 0.824 429 L CB 0.848 43.023 42.059 0.193 0.000 1.142 429 L HN 0.142 nan 8.230 nan 0.000 0.443 430 K N 2.573 123.002 120.400 0.049 0.000 2.419 430 K HA 0.195 4.515 4.320 -0.000 0.000 0.282 430 K C 0.907 177.531 176.600 0.040 0.000 1.056 430 K CA 1.007 57.310 56.287 0.026 0.000 1.035 430 K CB 0.132 32.638 32.500 0.011 0.000 0.921 430 K HN 0.858 nan 8.250 nan 0.000 0.472 431 G N 4.379 113.171 108.800 -0.015 0.000 2.352 431 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.204 431 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.204 431 G C 0.047 174.800 174.900 -0.245 0.000 1.004 431 G CA -0.209 44.846 45.100 -0.074 0.000 0.648 431 G HN 0.682 nan 8.290 nan 0.000 0.491 432 F N 3.349 122.983 119.950 -0.527 0.000 2.604 432 F HA 0.225 4.752 4.527 -0.000 0.000 0.390 432 F C 1.367 176.903 175.800 -0.440 0.000 1.053 432 F CA 1.201 58.734 58.000 -0.779 0.000 1.256 432 F CB 0.670 39.356 39.000 -0.523 0.000 0.996 432 F HN 0.292 nan 8.300 nan 0.000 0.564 433 N N 3.005 121.057 118.700 -1.079 0.000 2.236 433 N HA 0.229 4.968 4.740 -0.000 0.000 0.196 433 N C 1.118 176.209 175.510 -0.698 0.000 1.114 433 N CA 0.411 53.070 53.050 -0.651 0.000 0.859 433 N CB 0.742 38.969 38.487 -0.433 0.000 0.982 433 N HN 0.931 nan 8.380 nan 0.000 0.493 434 G N -0.398 107.567 108.800 -1.392 0.000 2.241 434 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.244 434 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.244 434 G C 0.318 175.046 174.900 -0.287 0.000 0.998 434 G CA 0.540 45.344 45.100 -0.492 0.000 0.621 434 G HN 0.799 nan 8.290 nan 0.000 0.519 435 T N -1.053 113.259 114.554 -0.404 0.000 2.868 435 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 435 T C 1.001 175.663 174.700 -0.064 0.000 1.028 435 T CA 0.405 62.390 62.100 -0.191 0.000 1.059 435 T CB 1.384 70.113 68.868 -0.231 0.000 0.991 435 T HN -0.037 nan 8.240 nan 0.000 0.531 436 D N 0.909 121.335 120.400 0.043 0.000 2.144 436 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 436 D C 1.933 178.315 176.300 0.137 0.000 0.984 436 D CA 1.198 55.358 54.000 0.267 0.000 0.834 436 D CB -0.250 40.684 40.800 0.223 0.000 0.955 436 D HN 0.720 nan 8.370 nan 0.000 0.465 437 E N 0.831 120.886 120.200 -0.241 0.000 2.086 437 E HA -0.197 4.152 4.350 -0.000 0.000 0.205 437 E C 1.668 178.302 176.600 0.056 0.000 1.027 437 E CA 1.431 57.477 56.400 -0.592 0.000 0.830 437 E CB -0.219 28.830 29.700 -1.085 0.000 0.751 437 E HN 0.226 nan 8.360 nan 0.000 0.456 438 D N -0.840 119.608 120.400 0.081 0.000 2.144 438 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 438 D C 1.860 178.543 176.300 0.639 0.000 0.978 438 D CA 0.624 54.839 54.000 0.358 0.000 0.833 438 D CB -0.042 40.601 40.800 -0.261 0.000 0.961 438 D HN -0.001 nan 8.370 nan 0.000 0.470 439 V N 0.607 120.825 119.914 0.506 0.000 2.392 439 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 439 V C 2.478 178.868 176.094 0.493 0.000 1.059 439 V CA 1.147 63.724 62.300 0.461 0.000 1.051 439 V CB -0.421 31.446 31.823 0.072 0.000 0.658 439 V HN 0.244 nan 8.190 nan 0.000 0.455 440 L N -0.471 121.095 121.223 0.572 0.000 2.046 440 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 440 L C 2.654 179.897 176.870 0.622 0.000 1.077 440 L CA 1.946 57.153 54.840 0.613 0.000 0.747 440 L CB -1.018 41.487 42.059 0.743 0.000 0.896 440 L HN 0.320 nan 8.230 nan 0.000 0.432 441 T N -1.194 113.845 114.554 0.808 0.000 2.699 441 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 441 T C 1.682 176.748 174.700 0.610 0.000 1.036 441 T CA 1.811 64.415 62.100 0.840 0.000 1.147 441 T CB -0.393 68.979 68.868 0.840 0.000 0.862 441 T HN 0.357 nan 8.240 nan 0.000 0.446 442 Y N 1.762 122.352 120.300 0.483 0.000 2.263 442 Y HA 0.131 4.681 4.550 -0.000 0.000 0.292 442 Y C 2.445 178.509 175.900 0.274 0.000 1.130 442 Y CA 0.680 58.990 58.100 0.350 0.000 1.179 442 Y CB -0.640 38.056 38.460 0.394 0.000 0.998 442 Y HN 0.164 nan 8.280 nan 0.000 0.532 443 A N 0.232 123.179 122.820 0.212 0.000 1.930 443 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 443 A C 2.186 179.824 177.584 0.090 0.000 1.175 443 A CA 1.752 53.858 52.037 0.115 0.000 0.627 443 A CB -0.957 18.159 19.000 0.194 0.000 0.815 443 A HN 0.540 nan 8.150 nan 0.000 0.443 444 L N -2.738 118.481 121.223 -0.006 0.000 2.162 444 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 444 L C 0.047 176.546 176.870 -0.619 0.000 1.086 444 L CA 0.590 55.238 54.840 -0.321 0.000 0.778 444 L CB -0.021 41.753 42.059 -0.474 0.000 0.928 444 L HN 0.345 nan 8.230 nan 0.000 0.446 445 F N -1.300 118.705 119.950 0.091 0.000 2.710 445 F HA 0.319 4.846 4.527 -0.000 0.000 0.345 445 F C -1.860 173.883 175.800 -0.094 0.000 1.362 445 F CA -1.672 56.331 58.000 0.004 0.000 1.175 445 F CB 0.448 39.457 39.000 0.016 0.000 1.561 445 F HN -0.233 nan 8.300 nan 0.000 0.593 446 P HA -0.216 nan 4.420 nan 0.000 0.216 446 P C 1.518 178.783 177.300 -0.057 0.000 1.150 446 P CA 1.559 64.471 63.100 -0.315 0.000 0.843 446 P CB 0.294 31.769 31.700 -0.375 0.000 0.787 447 Q N -0.984 118.791 119.800 -0.041 0.000 2.123 447 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 447 Q C 2.075 178.105 176.000 0.050 0.000 0.966 447 Q CA 1.296 57.101 55.803 0.004 0.000 0.845 447 Q CB -0.794 27.927 28.738 -0.028 0.000 0.907 447 Q HN 0.242 nan 8.270 nan 0.000 0.439 448 V N 0.669 120.623 119.914 0.067 0.000 2.685 448 V HA 0.029 4.148 4.120 -0.000 0.000 0.244 448 V C 2.392 178.515 176.094 0.048 0.000 1.054 448 V CA 0.975 63.299 62.300 0.040 0.000 1.076 448 V CB -0.933 30.863 31.823 -0.044 0.000 0.725 448 V HN 0.203 nan 8.190 nan 0.000 0.467 449 A N 1.146 123.994 122.820 0.046 0.000 1.929 449 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 449 A C 0.473 177.930 177.584 -0.211 0.000 1.211 449 A CA 2.719 54.645 52.037 -0.184 0.000 0.657 449 A CB -2.007 17.041 19.000 0.081 0.000 0.827 449 A HN 0.530 nan 8.150 nan 0.000 0.462 450 P HA -0.111 nan 4.420 nan 0.000 0.211 450 P C 1.685 179.063 177.300 0.131 0.000 1.179 450 P CA 1.553 64.754 63.100 0.169 0.000 0.910 450 P CB -0.222 31.577 31.700 0.166 0.000 0.785 451 V N -0.929 119.062 119.914 0.129 0.000 2.392 451 V HA -0.253 3.867 4.120 -0.000 0.000 0.249 451 V C 2.237 178.482 176.094 0.252 0.000 1.059 451 V CA 1.849 64.258 62.300 0.181 0.000 1.051 451 V CB -1.308 30.633 31.823 0.195 0.000 0.658 451 V HN 0.036 nan 8.190 nan 0.000 0.455 452 F N 0.282 120.250 119.950 0.029 0.000 2.128 452 F HA -0.039 4.487 4.527 -0.000 0.000 0.295 452 F C 2.086 177.967 175.800 0.134 0.000 1.100 452 F CA 1.091 59.108 58.000 0.029 0.000 1.260 452 F CB -0.642 38.286 39.000 -0.119 0.000 1.009 452 F HN 0.138 nan 8.300 nan 0.000 0.476 453 F N 0.686 120.529 119.950 -0.179 0.000 2.250 453 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 453 F C 2.493 178.153 175.800 -0.233 0.000 1.077 453 F CA 1.187 59.017 58.000 -0.284 0.000 1.348 453 F CB -0.289 38.702 39.000 -0.015 0.000 1.040 453 F HN 0.161 nan 8.300 nan 0.000 0.509 454 E N -0.933 119.271 120.200 0.007 0.000 2.318 454 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 454 E C 1.619 178.072 176.600 -0.246 0.000 0.998 454 E CA 0.585 56.901 56.400 -0.141 0.000 0.859 454 E CB 0.127 29.692 29.700 -0.225 0.000 0.812 454 E HN 0.441 nan 8.360 nan 0.000 0.492 455 H N -0.661 118.403 119.070 -0.010 0.000 2.729 455 H HA 0.125 4.681 4.556 -0.000 0.000 0.263 455 H C 1.849 177.153 175.328 -0.039 0.000 0.961 455 H CA 0.373 56.431 56.048 0.017 0.000 1.217 455 H CB 0.244 30.059 29.762 0.089 0.000 1.447 455 H HN 0.110 nan 8.280 nan 0.000 0.496 456 R N 1.560 122.002 120.500 -0.097 0.000 2.159 456 R HA -0.229 4.111 4.340 -0.000 0.000 0.252 456 R C 2.165 178.442 176.300 -0.039 0.000 1.144 456 R CA 1.884 57.879 56.100 -0.175 0.000 0.961 456 R CB -0.226 29.770 30.300 -0.507 0.000 0.877 456 R HN 0.221 nan 8.270 nan 0.000 0.444 457 A N 0.723 123.523 122.820 -0.033 0.000 2.032 457 A HA -0.208 4.112 4.320 -0.000 0.000 0.221 457 A C 1.781 179.391 177.584 0.043 0.000 1.165 457 A CA 1.843 53.880 52.037 0.000 0.000 0.645 457 A CB -0.458 18.540 19.000 -0.004 0.000 0.807 457 A HN 0.643 nan 8.150 nan 0.000 0.453 458 E N -1.069 119.182 120.200 0.084 0.000 2.268 458 E HA 0.264 4.614 4.350 -0.000 0.000 0.195 458 E C 1.035 177.710 176.600 0.125 0.000 0.995 458 E CA 0.236 56.722 56.400 0.144 0.000 0.836 458 E CB -0.245 29.604 29.700 0.248 0.000 0.763 458 E HN 0.793 nan 8.360 nan 0.000 0.491 459 G N 1.735 110.550 108.800 0.025 0.000 2.662 459 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.686 459 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.686 459 G C -2.877 171.902 174.900 -0.202 0.000 1.271 459 G CA -0.763 44.330 45.100 -0.011 0.000 0.816 459 G HN -0.100 nan 8.290 nan 0.000 0.608 460 P HA 0.297 nan 4.420 nan 0.000 0.272 460 P C -0.172 177.055 177.300 -0.121 0.000 1.230 460 P CA 0.361 63.357 63.100 -0.172 0.000 0.788 460 P CB 0.599 32.276 31.700 -0.039 0.000 0.949 461 H N -1.547 117.555 119.070 0.053 0.000 2.949 461 H HA 0.587 5.143 4.556 -0.000 0.000 0.310 461 H C -0.545 174.804 175.328 0.035 0.000 1.405 461 H CA -1.047 55.024 56.048 0.039 0.000 1.253 461 H CB 1.740 31.524 29.762 0.037 0.000 1.932 461 H HN 0.339 nan 8.280 nan 0.000 0.602 462 S N 0.366 116.170 115.700 0.174 0.000 2.538 462 S HA 0.272 4.742 4.470 -0.000 0.000 0.288 462 S C 0.115 174.743 174.600 0.048 0.000 1.108 462 S CA -0.711 57.538 58.200 0.082 0.000 0.971 462 S CB 1.184 64.409 63.200 0.042 0.000 1.041 462 S HN 0.524 nan 8.310 nan 0.000 0.483 463 V N 2.154 122.084 119.914 0.027 0.000 3.271 463 V HA 0.694 4.814 4.120 -0.000 0.000 0.327 463 V C 0.691 176.824 176.094 0.066 0.000 1.389 463 V CA 0.138 62.474 62.300 0.059 0.000 1.156 463 V CB -0.676 31.204 31.823 0.095 0.000 1.103 463 V HN 0.797 nan 8.190 nan 0.000 0.453 464 A N 0.661 123.409 122.820 -0.121 0.000 2.252 464 A HA 0.793 5.113 4.320 -0.000 0.000 0.305 464 A C 0.005 177.472 177.584 -0.194 0.000 1.097 464 A CA -0.751 51.089 52.037 -0.328 0.000 0.849 464 A CB 0.629 19.047 19.000 -0.970 0.000 1.142 464 A HN 0.454 nan 8.150 nan 0.000 0.499 465 L N 0.751 121.858 121.223 -0.192 0.000 2.452 465 L HA 0.298 4.638 4.340 -0.000 0.000 0.267 465 L C 1.240 178.053 176.870 -0.095 0.000 1.188 465 L CA -0.289 54.482 54.840 -0.114 0.000 0.821 465 L CB 0.724 42.728 42.059 -0.091 0.000 1.102 465 L HN 0.931 nan 8.230 nan 0.000 0.470 466 T N -3.193 111.323 114.554 -0.063 0.000 2.874 466 T HA 0.125 4.475 4.350 -0.000 0.000 0.281 466 T C 0.749 175.430 174.700 -0.032 0.000 0.994 466 T CA -0.879 61.195 62.100 -0.043 0.000 1.015 466 T CB 1.168 70.016 68.868 -0.034 0.000 1.028 466 T HN 0.537 nan 8.240 nan 0.000 0.523 467 D N 0.898 121.285 120.400 -0.022 0.000 2.182 467 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 467 D C 2.192 178.483 176.300 -0.016 0.000 0.986 467 D CA 1.513 55.503 54.000 -0.016 0.000 0.847 467 D CB -0.382 40.411 40.800 -0.011 0.000 0.942 467 D HN 0.736 nan 8.370 nan 0.000 0.467 468 A N 1.201 124.010 122.820 -0.018 0.000 1.854 468 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 468 A C 2.192 179.764 177.584 -0.021 0.000 1.192 468 A CA 1.136 53.162 52.037 -0.018 0.000 0.611 468 A CB -0.645 18.345 19.000 -0.018 0.000 0.832 468 A HN 0.146 nan 8.150 nan 0.000 0.442 469 Q N -0.967 118.816 119.800 -0.028 0.000 2.135 469 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 469 Q C 2.008 177.990 176.000 -0.031 0.000 0.981 469 Q CA 1.223 57.006 55.803 -0.033 0.000 0.856 469 Q CB -0.329 28.383 28.738 -0.043 0.000 0.902 469 Q HN 0.487 nan 8.270 nan 0.000 0.425 470 L N 1.477 122.684 121.223 -0.028 0.000 1.976 470 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 470 L C 2.275 179.135 176.870 -0.016 0.000 1.071 470 L CA 1.950 56.777 54.840 -0.022 0.000 0.746 470 L CB -0.800 41.250 42.059 -0.016 0.000 0.890 470 L HN 0.111 nan 8.230 nan 0.000 0.432 471 K N -0.861 119.531 120.400 -0.014 0.000 2.057 471 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 471 K C 1.815 178.407 176.600 -0.012 0.000 1.049 471 K CA 1.388 57.669 56.287 -0.011 0.000 0.931 471 K CB -0.142 32.353 32.500 -0.009 0.000 0.714 471 K HN 0.348 nan 8.250 nan 0.000 0.440 472 A N 0.850 123.660 122.820 -0.015 0.000 2.121 472 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 472 A C 1.848 179.421 177.584 -0.018 0.000 1.154 472 A CA 1.526 53.554 52.037 -0.016 0.000 0.679 472 A CB -0.344 18.645 19.000 -0.018 0.000 0.795 472 A HN 0.604 nan 8.150 nan 0.000 0.458 473 E N -0.851 119.337 120.200 -0.019 0.000 2.102 473 E HA 0.300 4.650 4.350 -0.000 0.000 0.190 473 E C 0.853 177.443 176.600 -0.016 0.000 0.971 473 E CA 0.617 57.005 56.400 -0.021 0.000 0.821 473 E CB 0.058 29.742 29.700 -0.026 0.000 0.777 473 E HN 0.565 nan 8.360 nan 0.000 0.460 474 A N 0.000 122.812 122.820 -0.013 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486