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 2wys_1_B DATA FIRST_RESID 33 DATA SEQUENCE DYEVVHDTFE VNFDGWCNLG VDTYLTAVEN EGNNGTRGXX VINRSSASDG DATA SEQUENCE AYSEKGFYLD GGVEYKYSVF VKHNGTGTET FKLSVSYLDS ETEEENKEVI DATA SEQUENCE ATKDVVAGEW TEISAKYKAP KTAVNITLSI TTDSTVDFIF DDVTITRKGX DATA SEQUENCE XXXNTVYAAN AVLKDXYANY FRVGSVLNSG TVNNSSIKAL ILREFNSITC DATA SEQUENCE ENEXKPDATL VQSGSTNTNI RVSLNRAASI LNFCAQNNIA VRGHTLVWHS DATA SEQUENCE QTPQWFFKDN FQDNGNWVSQ SVXDQRLESY IKNXFAEIQR QYPSLNLYAY DATA SEQUENCE DVVNAAVSDD ANRTRYYGGA REPGYGNGRS PWVQIYGDNK FIEKAFTYAR DATA SEQUENCE KYAPANCKLY YNDYNEYWDH KRDCIASICA NLYNKGLLDG VGXQSHINAD DATA SEQUENCE XNGFSGIQNY KAALQKYINI GCDVQITELD ISTENGKFSL QQQADKYKAV DATA SEQUENCE FQAAVDINRT SSKGKVTAVC VWGPNDANTW LGSQNAPLLF NANNQPKPAY DATA SEQUENCE NAVASIIPQS EWGDGNNPA 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 33 D HA 0.000 nan 4.640 nan 0.000 0.175 33 D C 0.000 176.322 176.300 0.037 0.000 2.045 33 D CA 0.000 54.024 54.000 0.040 0.000 0.868 33 D CB 0.000 40.835 40.800 0.058 0.000 0.688 34 Y N 2.124 122.431 120.300 0.012 0.000 2.335 34 Y HA 0.482 5.032 4.550 -0.000 0.000 0.339 34 Y C -0.427 175.494 175.900 0.036 0.000 0.987 34 Y CA -0.656 57.458 58.100 0.023 0.000 1.140 34 Y CB 1.197 39.676 38.460 0.032 0.000 1.173 34 Y HN -0.195 nan 8.280 nan 0.000 0.486 35 E N 4.636 124.873 120.200 0.063 0.000 2.133 35 E HA 0.353 4.703 4.350 -0.000 0.000 0.274 35 E C -0.027 176.691 176.600 0.197 0.000 0.930 35 E CA -0.365 56.087 56.400 0.086 0.000 0.770 35 E CB 1.091 30.747 29.700 -0.072 0.000 1.104 35 E HN 0.680 nan 8.360 nan 0.000 0.403 36 V N 1.957 122.004 119.914 0.222 0.000 3.263 36 V HA 0.266 4.385 4.120 -0.000 0.000 0.248 36 V C 0.359 176.452 176.094 -0.002 0.000 1.145 36 V CA 0.109 62.526 62.300 0.196 0.000 1.107 36 V CB 0.672 32.627 31.823 0.220 0.000 0.797 36 V HN 0.301 nan 8.190 nan 0.000 0.467 37 V N 1.438 121.342 119.914 -0.017 0.000 2.709 37 V HA 0.545 4.665 4.120 -0.000 0.000 0.308 37 V C -1.059 175.081 176.094 0.078 0.000 1.062 37 V CA -0.446 61.810 62.300 -0.072 0.000 0.901 37 V CB 1.582 33.376 31.823 -0.048 0.000 1.003 37 V HN 0.636 nan 8.190 nan 0.000 0.425 38 H N 3.126 122.152 119.070 -0.072 0.000 2.852 38 H HA 0.311 4.867 4.556 -0.000 0.000 0.274 38 H C -1.497 173.772 175.328 -0.098 0.000 1.321 38 H CA -0.641 55.378 56.048 -0.049 0.000 1.582 38 H CB 1.017 30.744 29.762 -0.058 0.000 1.699 38 H HN 0.655 nan 8.280 nan 0.000 0.546 39 D N 3.413 123.704 120.400 -0.183 0.000 2.347 39 D HA 0.022 4.662 4.640 -0.000 0.000 0.235 39 D C 1.484 177.372 176.300 -0.687 0.000 1.149 39 D CA 0.033 53.740 54.000 -0.489 0.000 0.850 39 D CB 2.044 42.546 40.800 -0.496 0.000 1.061 39 D HN 0.697 nan 8.370 nan 0.000 0.487 40 T N -0.260 113.883 114.554 -0.684 0.000 3.037 40 T HA 0.003 4.353 4.350 -0.000 0.000 0.252 40 T C 0.983 175.548 174.700 -0.225 0.000 1.073 40 T CA -0.037 61.802 62.100 -0.436 0.000 1.091 40 T CB -0.235 68.398 68.868 -0.391 0.000 0.935 40 T HN 0.340 nan 8.240 nan 0.000 0.488 41 F N 0.697 120.498 119.950 -0.248 0.000 2.953 41 F HA -0.153 4.374 4.527 -0.000 0.000 0.292 41 F C 1.037 176.704 175.800 -0.223 0.000 0.747 41 F CA 0.526 58.364 58.000 -0.271 0.000 1.222 41 F CB -2.218 36.535 39.000 -0.410 0.000 1.457 41 F HN 0.197 nan 8.300 nan 0.000 0.383 42 E N 0.297 120.442 120.200 -0.091 0.000 2.106 42 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 42 E C 2.179 178.750 176.600 -0.048 0.000 0.984 42 E CA 1.757 58.111 56.400 -0.077 0.000 0.806 42 E CB -0.134 29.507 29.700 -0.098 0.000 0.750 42 E HN 0.439 nan 8.360 nan 0.000 0.458 43 V N -0.033 119.854 119.914 -0.044 0.000 3.090 43 V HA 0.143 4.263 4.120 -0.000 0.000 0.237 43 V C 0.649 176.755 176.094 0.020 0.000 1.209 43 V CA 0.212 62.507 62.300 -0.008 0.000 1.209 43 V CB 0.059 31.880 31.823 -0.004 0.000 0.971 43 V HN 0.047 nan 8.190 nan 0.000 0.477 44 N N -0.876 117.824 118.700 0.000 0.000 2.653 44 N HA 0.442 5.182 4.740 -0.000 0.000 0.294 44 N C -0.413 175.142 175.510 0.075 0.000 1.305 44 N CA -0.662 52.371 53.050 -0.029 0.000 0.827 44 N CB 1.025 39.443 38.487 -0.114 0.000 1.415 44 N HN 0.001 nan 8.380 nan 0.000 0.546 45 F N 0.870 120.540 119.950 -0.467 0.000 2.773 45 F HA 0.114 4.641 4.527 -0.000 0.000 0.304 45 F C 0.106 176.003 175.800 0.161 0.000 1.129 45 F CA -0.326 57.625 58.000 -0.082 0.000 1.378 45 F CB -0.756 38.163 39.000 -0.135 0.000 1.095 45 F HN 0.268 nan 8.300 nan 0.000 0.565 46 D N 0.206 120.720 120.400 0.190 0.000 2.702 46 D HA -0.210 4.430 4.640 -0.000 0.000 0.233 46 D C 1.495 178.073 176.300 0.463 0.000 1.164 46 D CA 1.219 55.367 54.000 0.248 0.000 0.638 46 D CB -1.579 39.131 40.800 -0.150 0.000 1.041 46 D HN 0.550 nan 8.370 nan 0.000 0.422 47 G N -1.620 107.506 108.800 0.544 0.000 2.198 47 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 47 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 47 G C -0.177 174.768 174.900 0.076 0.000 1.042 47 G CA 0.150 45.443 45.100 0.321 0.000 0.791 47 G HN 0.347 nan 8.290 nan 0.000 0.502 48 W N -0.944 120.556 121.300 0.334 0.000 2.520 48 W HA 0.682 5.342 4.660 -0.000 0.000 0.323 48 W C 0.297 176.898 176.519 0.136 0.000 1.062 48 W CA -0.862 56.642 57.345 0.266 0.000 1.215 48 W CB 1.622 31.370 29.460 0.480 0.000 1.340 48 W HN 0.245 nan 8.180 nan 0.000 0.516 49 C N 4.055 123.347 119.300 -0.013 0.000 2.498 49 C HA 0.283 4.743 4.460 -0.000 0.000 0.316 49 C C 0.191 175.163 174.990 -0.030 0.000 1.209 49 C CA -1.253 57.596 59.018 -0.282 0.000 1.518 49 C CB 0.833 27.951 27.740 -1.037 0.000 2.147 49 C HN 0.628 nan 8.230 nan 0.000 0.483 50 N N 2.863 121.664 118.700 0.169 0.000 2.400 50 N HA -0.009 4.731 4.740 -0.000 0.000 0.278 50 N C -0.667 175.077 175.510 0.391 0.000 1.247 50 N CA -0.184 53.022 53.050 0.261 0.000 0.970 50 N CB 0.453 39.069 38.487 0.214 0.000 1.312 50 N HN 0.616 nan 8.380 nan 0.000 0.488 51 L N 3.066 124.568 121.223 0.464 0.000 2.456 51 L HA 0.390 4.730 4.340 -0.000 0.000 0.277 51 L C 0.607 177.590 176.870 0.189 0.000 1.124 51 L CA 0.846 55.900 54.840 0.357 0.000 0.880 51 L CB -0.768 41.482 42.059 0.320 0.000 1.192 51 L HN 0.885 nan 8.230 nan 0.000 0.463 52 G N 3.426 112.305 108.800 0.133 0.000 3.434 52 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 52 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 52 G C 0.125 175.088 174.900 0.106 0.000 1.099 52 G CA -0.347 44.808 45.100 0.092 0.000 0.931 52 G HN 1.077 nan 8.290 nan 0.000 0.520 53 V N 0.949 120.908 119.914 0.075 0.000 3.078 53 V HA 0.009 4.129 4.120 -0.000 0.000 0.265 53 V C 1.584 177.720 176.094 0.070 0.000 1.122 53 V CA 2.707 65.052 62.300 0.075 0.000 1.141 53 V CB -0.089 31.758 31.823 0.039 0.000 0.735 53 V HN 0.738 nan 8.190 nan 0.000 0.498 54 D N -0.875 119.564 120.400 0.066 0.000 2.422 54 D HA 0.091 4.731 4.640 -0.000 0.000 0.218 54 D C 0.819 177.183 176.300 0.106 0.000 1.047 54 D CA 0.507 54.545 54.000 0.064 0.000 0.885 54 D CB 0.135 40.950 40.800 0.026 0.000 1.035 54 D HN 0.438 nan 8.370 nan 0.000 0.502 55 T N 1.904 116.528 114.554 0.116 0.000 2.723 55 T HA -0.190 4.160 4.350 -0.000 0.000 0.260 55 T C -0.145 174.678 174.700 0.205 0.000 1.019 55 T CA 0.674 62.861 62.100 0.146 0.000 1.155 55 T CB -0.143 68.813 68.868 0.146 0.000 1.024 55 T HN 0.038 nan 8.240 nan 0.000 0.491 56 Y N 3.548 123.884 120.300 0.061 0.000 2.387 56 Y HA 0.601 5.151 4.550 -0.000 0.000 0.336 56 Y C -1.224 174.720 175.900 0.073 0.000 1.067 56 Y CA -2.069 56.070 58.100 0.066 0.000 1.114 56 Y CB 0.900 39.386 38.460 0.043 0.000 1.208 56 Y HN 0.460 nan 8.280 nan 0.000 0.458 57 L N 5.015 125.965 121.223 -0.454 0.000 2.341 57 L HA 0.640 4.980 4.340 -0.000 0.000 0.278 57 L C -0.518 175.933 176.870 -0.698 0.000 1.005 57 L CA -0.266 54.311 54.840 -0.438 0.000 0.818 57 L CB 2.151 44.204 42.059 -0.011 0.000 1.259 57 L HN 0.847 nan 8.230 nan 0.000 0.418 58 T N 0.715 114.914 114.554 -0.592 0.000 2.907 58 T HA 0.852 5.202 4.350 -0.000 0.000 0.292 58 T C -0.366 174.070 174.700 -0.439 0.000 1.043 58 T CA -0.835 61.067 62.100 -0.331 0.000 1.003 58 T CB 1.832 70.585 68.868 -0.191 0.000 1.084 58 T HN 0.644 nan 8.240 nan 0.000 0.483 59 A N 1.585 124.132 122.820 -0.454 0.000 2.354 59 A HA 0.701 5.021 4.320 -0.000 0.000 0.269 59 A C 0.163 177.605 177.584 -0.235 0.000 1.109 59 A CA -0.684 51.062 52.037 -0.484 0.000 0.800 59 A CB 0.022 18.727 19.000 -0.492 0.000 1.045 59 A HN 1.267 nan 8.150 nan 0.000 0.489 60 V N 0.623 120.402 119.914 -0.226 0.000 2.483 60 V HA 0.471 4.590 4.120 -0.000 0.000 0.297 60 V C -0.168 175.864 176.094 -0.103 0.000 1.027 60 V CA -0.849 61.376 62.300 -0.125 0.000 0.855 60 V CB 1.194 32.954 31.823 -0.105 0.000 0.995 60 V HN 0.912 nan 8.190 nan 0.000 0.424 61 E N 3.090 123.251 120.200 -0.066 0.000 2.414 61 E HA 0.146 4.496 4.350 -0.000 0.000 0.263 61 E C 0.587 177.162 176.600 -0.041 0.000 1.000 61 E CA 1.021 57.390 56.400 -0.053 0.000 0.914 61 E CB 0.330 30.011 29.700 -0.032 0.000 0.948 61 E HN 1.004 nan 8.360 nan 0.000 0.444 62 N N 1.901 120.573 118.700 -0.047 0.000 2.929 62 N HA -0.210 4.530 4.740 -0.000 0.000 0.234 62 N C 0.128 175.634 175.510 -0.008 0.000 0.908 62 N CA 1.038 54.067 53.050 -0.034 0.000 0.993 62 N CB -0.440 38.034 38.487 -0.021 0.000 1.075 62 N HN 0.452 nan 8.380 nan 0.000 0.603 63 E N 0.404 120.605 120.200 0.002 0.000 2.465 63 E HA 0.201 4.550 4.350 -0.000 0.000 0.191 63 E C 1.200 177.901 176.600 0.169 0.000 1.053 63 E CA 0.482 56.927 56.400 0.075 0.000 0.869 63 E CB 0.028 29.753 29.700 0.041 0.000 0.977 63 E HN 0.495 nan 8.360 nan 0.000 0.483 64 G N 0.963 109.768 108.800 0.008 0.000 2.522 64 G HA2 0.130 4.090 3.960 -0.000 0.000 0.304 64 G HA3 0.130 4.090 3.960 -0.000 0.000 0.304 64 G C 0.092 174.669 174.900 -0.539 0.000 1.210 64 G CA -0.633 44.397 45.100 -0.117 0.000 0.960 64 G HN 0.034 nan 8.290 nan 0.000 0.497 65 N N 0.414 118.291 118.700 -1.371 0.000 2.293 65 N HA -0.091 4.649 4.740 -0.000 0.000 0.253 65 N C 0.438 175.438 175.510 -0.850 0.000 1.248 65 N CA 0.505 52.497 53.050 -1.762 0.000 0.845 65 N CB 0.047 37.686 38.487 -1.414 0.000 1.073 65 N HN 0.442 nan 8.380 nan 0.000 0.464 66 N N 2.270 120.552 118.700 -0.696 0.000 2.727 66 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 66 N C 0.748 176.104 175.510 -0.256 0.000 1.048 66 N CA 1.373 54.203 53.050 -0.367 0.000 0.714 66 N CB -1.781 36.522 38.487 -0.308 0.000 0.959 66 N HN 0.908 nan 8.380 nan 0.000 0.544 67 G N -2.116 106.548 108.800 -0.228 0.000 2.200 67 G HA2 -0.401 3.558 3.960 -0.000 0.000 0.267 67 G HA3 -0.401 3.558 3.960 -0.000 0.000 0.267 67 G C 0.709 175.533 174.900 -0.125 0.000 0.993 67 G CA 1.986 47.013 45.100 -0.123 0.000 0.701 67 G HN 1.132 nan 8.290 nan 0.000 0.524 68 T N -2.495 111.951 114.554 -0.180 0.000 2.885 68 T HA 0.459 4.809 4.350 -0.000 0.000 0.356 68 T C 0.727 175.344 174.700 -0.138 0.000 1.137 68 T CA 0.254 62.261 62.100 -0.155 0.000 1.014 68 T CB 0.899 69.655 68.868 -0.187 0.000 1.410 68 T HN 0.514 nan 8.240 nan 0.000 0.532 69 R N -0.256 120.167 120.500 -0.129 0.000 2.357 69 R HA 0.568 4.908 4.340 -0.000 0.000 0.296 69 R C 0.088 176.285 176.300 -0.171 0.000 1.052 69 R CA -0.178 55.845 56.100 -0.128 0.000 0.988 69 R CB 0.446 30.684 30.300 -0.103 0.000 1.025 69 R HN 0.945 nan 8.270 nan 0.000 0.469 74 I N 1.511 122.045 120.570 -0.060 0.000 3.354 74 I HA 0.707 4.877 4.170 -0.000 0.000 0.316 74 I C 0.598 176.779 176.117 0.106 0.000 1.182 74 I CA -0.678 60.646 61.300 0.040 0.000 0.942 74 I CB 2.275 40.321 38.000 0.076 0.000 1.299 74 I HN 0.610 nan 8.210 nan 0.000 0.473 75 N N 1.897 120.660 118.700 0.106 0.000 2.693 75 N HA -0.217 4.523 4.740 -0.000 0.000 0.250 75 N C -0.160 175.400 175.510 0.082 0.000 1.033 75 N CA 1.011 54.114 53.050 0.089 0.000 0.747 75 N CB -0.829 37.715 38.487 0.096 0.000 0.964 75 N HN 0.736 nan 8.380 nan 0.000 0.540 76 R N -0.781 119.769 120.500 0.084 0.000 3.073 76 R HA 0.164 4.503 4.340 -0.000 0.000 0.290 76 R C 1.136 177.465 176.300 0.048 0.000 1.130 76 R CA 0.861 57.009 56.100 0.080 0.000 1.186 76 R CB -0.021 30.336 30.300 0.096 0.000 1.166 76 R HN 0.223 nan 8.270 nan 0.000 0.563 77 S N -1.698 114.022 115.700 0.033 0.000 2.631 77 S HA 0.081 4.551 4.470 -0.000 0.000 0.248 77 S C -1.186 173.414 174.600 0.001 0.000 0.949 77 S CA 0.246 58.455 58.200 0.015 0.000 1.470 77 S CB 0.443 63.653 63.200 0.018 0.000 1.248 77 S HN 0.610 nan 8.310 nan 0.000 0.662 78 S N -0.155 115.543 115.700 -0.003 0.000 2.608 78 S HA 0.580 5.050 4.470 -0.000 0.000 0.285 78 S C 0.500 175.081 174.600 -0.032 0.000 1.108 78 S CA 0.247 58.435 58.200 -0.019 0.000 0.858 78 S CB 0.594 63.785 63.200 -0.016 0.000 1.077 78 S HN 0.689 nan 8.310 nan 0.000 0.450 79 A N 2.143 124.931 122.820 -0.053 0.000 2.298 79 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 79 A C 1.616 179.151 177.584 -0.081 0.000 1.193 79 A CA 2.190 54.177 52.037 -0.083 0.000 0.697 79 A CB -1.002 17.944 19.000 -0.091 0.000 0.774 79 A HN 1.778 nan 8.150 nan 0.000 0.492 80 S N -2.493 113.179 115.700 -0.047 0.000 2.661 80 S HA 0.158 4.628 4.470 -0.000 0.000 0.275 80 S C -0.208 174.391 174.600 -0.001 0.000 1.075 80 S CA -0.154 58.025 58.200 -0.036 0.000 1.251 80 S CB -0.081 63.092 63.200 -0.045 0.000 1.167 80 S HN 0.226 nan 8.310 nan 0.000 0.648 81 D N 1.903 122.313 120.400 0.017 0.000 2.443 81 D HA 0.565 5.204 4.640 -0.000 0.000 0.234 81 D C 0.890 177.253 176.300 0.104 0.000 1.172 81 D CA 2.059 56.096 54.000 0.061 0.000 0.878 81 D CB 0.607 41.442 40.800 0.060 0.000 1.204 81 D HN 0.582 nan 8.370 nan 0.000 0.453 82 G N -1.018 107.886 108.800 0.173 0.000 2.600 82 G HA2 0.563 4.523 3.960 -0.000 0.000 0.103 82 G HA3 0.563 4.523 3.960 -0.000 0.000 0.103 82 G C -1.766 173.310 174.900 0.292 0.000 1.090 82 G CA 0.137 45.397 45.100 0.266 0.000 1.090 82 G HN 0.787 nan 8.290 nan 0.000 0.500 83 A N -0.897 122.123 122.820 0.334 0.000 2.547 83 A HA 0.878 5.198 4.320 -0.000 0.000 0.297 83 A C -1.126 176.777 177.584 0.532 0.000 1.056 83 A CA -0.123 52.153 52.037 0.399 0.000 0.688 83 A CB 1.110 20.299 19.000 0.315 0.000 1.282 83 A HN 2.178 nan 8.150 nan 0.000 0.400 84 Y N -0.468 120.016 120.300 0.306 0.000 2.581 84 Y HA 0.870 5.419 4.550 -0.000 0.000 0.345 84 Y C -0.348 175.283 175.900 -0.449 0.000 1.036 84 Y CA -0.835 57.270 58.100 0.009 0.000 1.042 84 Y CB 1.703 40.160 38.460 -0.005 0.000 1.289 84 Y HN 0.866 nan 8.280 nan 0.000 0.471 85 S N 1.743 116.902 115.700 -0.902 0.000 2.614 85 S HA 0.231 4.701 4.470 -0.000 0.000 0.288 85 S C -1.491 172.918 174.600 -0.319 0.000 1.137 85 S CA -0.706 56.922 58.200 -0.953 0.000 0.992 85 S CB 1.203 63.275 63.200 -1.881 0.000 1.026 85 S HN 0.809 nan 8.310 nan 0.000 0.486 86 E N 3.477 123.607 120.200 -0.116 0.000 2.257 86 E HA 0.168 4.517 4.350 -0.000 0.000 0.278 86 E C -0.489 176.116 176.600 0.009 0.000 1.049 86 E CA 0.044 56.449 56.400 0.008 0.000 0.876 86 E CB 0.457 30.181 29.700 0.040 0.000 1.035 86 E HN 0.547 nan 8.360 nan 0.000 0.419 87 K N 3.341 123.775 120.400 0.056 0.000 3.084 87 K HA 0.176 4.496 4.320 -0.000 0.000 0.210 87 K C 0.880 177.543 176.600 0.105 0.000 1.137 87 K CA -0.113 56.276 56.287 0.170 0.000 1.010 87 K CB 1.231 33.863 32.500 0.220 0.000 0.806 87 K HN 0.583 nan 8.250 nan 0.000 0.460 88 G N 0.239 109.008 108.800 -0.052 0.000 2.448 88 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 88 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 88 G C 1.065 175.866 174.900 -0.166 0.000 1.135 88 G CA 0.136 45.168 45.100 -0.114 0.000 0.784 88 G HN 0.179 nan 8.290 nan 0.000 0.543 89 F N 0.189 119.860 119.950 -0.465 0.000 2.307 89 F HA 0.047 4.573 4.527 -0.000 0.000 0.301 89 F C 1.747 177.245 175.800 -0.503 0.000 1.076 89 F CA 0.276 57.874 58.000 -0.669 0.000 1.383 89 F CB -0.088 38.205 39.000 -1.178 0.000 1.055 89 F HN 0.242 nan 8.300 nan 0.000 0.526 90 Y N -1.833 118.575 120.300 0.179 0.000 2.467 90 Y HA 0.336 4.886 4.550 -0.000 0.000 0.259 90 Y C 0.380 176.263 175.900 -0.028 0.000 1.084 90 Y CA -0.579 57.574 58.100 0.088 0.000 1.275 90 Y CB -0.059 38.448 38.460 0.077 0.000 1.208 90 Y HN -0.329 nan 8.280 nan 0.000 0.511 91 L N 0.583 121.837 121.223 0.051 0.000 2.342 91 L HA 0.530 4.870 4.340 -0.000 0.000 0.271 91 L C -0.944 175.975 176.870 0.082 0.000 1.008 91 L CA -0.934 53.830 54.840 -0.127 0.000 0.818 91 L CB 1.580 43.462 42.059 -0.296 0.000 1.296 91 L HN -0.158 nan 8.230 nan 0.000 0.427 92 D N 0.592 121.153 120.400 0.268 0.000 2.269 92 D HA 0.411 5.051 4.640 -0.000 0.000 0.244 92 D C 0.097 176.495 176.300 0.164 0.000 0.992 92 D CA -0.176 53.941 54.000 0.195 0.000 0.894 92 D CB 2.092 43.002 40.800 0.183 0.000 1.248 92 D HN 0.639 nan 8.370 nan 0.000 0.468 93 G N -0.680 108.144 108.800 0.041 0.000 2.414 93 G HA2 0.363 4.323 3.960 -0.000 0.000 0.236 93 G HA3 0.363 4.323 3.960 -0.000 0.000 0.236 93 G C 1.031 175.933 174.900 0.002 0.000 1.293 93 G CA 0.208 45.295 45.100 -0.022 0.000 0.869 93 G HN 0.772 nan 8.290 nan 0.000 0.556 94 G N -0.279 108.509 108.800 -0.020 0.000 2.258 94 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.274 94 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.274 94 G C 0.179 175.049 174.900 -0.050 0.000 1.021 94 G CA 0.483 45.559 45.100 -0.039 0.000 0.798 94 G HN 1.394 nan 8.290 nan 0.000 0.507 95 V N -0.233 119.660 119.914 -0.035 0.000 2.459 95 V HA 0.474 4.593 4.120 -0.000 0.000 0.295 95 V C 0.552 176.480 176.094 -0.276 0.000 1.029 95 V CA -1.115 61.060 62.300 -0.209 0.000 0.874 95 V CB 1.988 33.599 31.823 -0.354 0.000 0.985 95 V HN 0.403 nan 8.190 nan 0.000 0.438 96 E N 3.414 123.450 120.200 -0.273 0.000 2.217 96 E HA 0.216 4.566 4.350 -0.000 0.000 0.279 96 E C -1.700 174.763 176.600 -0.228 0.000 1.068 96 E CA -0.189 56.124 56.400 -0.144 0.000 0.882 96 E CB 0.415 30.069 29.700 -0.077 0.000 1.039 96 E HN 0.641 nan 8.360 nan 0.000 0.418 97 Y N 3.217 123.609 120.300 0.153 0.000 2.364 97 Y HA 0.241 4.791 4.550 -0.000 0.000 0.340 97 Y C 0.263 176.241 175.900 0.131 0.000 0.975 97 Y CA -0.851 57.292 58.100 0.072 0.000 1.089 97 Y CB 1.592 40.006 38.460 -0.077 0.000 1.192 97 Y HN 0.389 nan 8.280 nan 0.000 0.454 98 K N 3.367 123.892 120.400 0.208 0.000 2.297 98 K HA 0.332 4.652 4.320 -0.000 0.000 0.286 98 K C -1.778 174.917 176.600 0.159 0.000 1.053 98 K CA -0.220 56.207 56.287 0.233 0.000 0.940 98 K CB 0.409 33.007 32.500 0.163 0.000 1.019 98 K HN 0.672 nan 8.250 nan 0.000 0.475 99 Y N 2.369 122.785 120.300 0.192 0.000 2.334 99 Y HA 0.202 4.752 4.550 -0.000 0.000 0.336 99 Y C 0.181 176.166 175.900 0.142 0.000 0.960 99 Y CA -0.698 57.511 58.100 0.181 0.000 1.164 99 Y CB 1.844 40.409 38.460 0.175 0.000 1.155 99 Y HN 0.593 nan 8.280 nan 0.000 0.478 100 S N 2.634 118.496 115.700 0.270 0.000 2.532 100 S HA 0.919 5.389 4.470 -0.000 0.000 0.301 100 S C -1.310 173.433 174.600 0.238 0.000 1.083 100 S CA -0.578 57.737 58.200 0.193 0.000 1.025 100 S CB 1.743 65.035 63.200 0.154 0.000 1.056 100 S HN 0.347 nan 8.310 nan 0.000 0.494 101 V N 2.892 122.898 119.914 0.154 0.000 2.777 101 V HA 0.439 4.558 4.120 -0.000 0.000 0.306 101 V C -1.341 174.851 176.094 0.164 0.000 1.112 101 V CA -0.711 61.738 62.300 0.248 0.000 0.917 101 V CB 1.599 33.553 31.823 0.219 0.000 1.018 101 V HN 0.946 nan 8.190 nan 0.000 0.426 102 F N 4.078 124.149 119.950 0.201 0.000 2.420 102 F HA 0.625 5.151 4.527 -0.000 0.000 0.352 102 F C 0.478 176.491 175.800 0.354 0.000 1.108 102 F CA -0.459 57.694 58.000 0.255 0.000 1.162 102 F CB 1.671 40.815 39.000 0.240 0.000 1.118 102 F HN 0.458 nan 8.300 nan 0.000 0.510 103 V N 1.670 121.722 119.914 0.230 0.000 3.103 103 V HA 0.768 4.888 4.120 -0.000 0.000 0.318 103 V C -0.903 174.983 176.094 -0.346 0.000 1.114 103 V CA -0.855 61.398 62.300 -0.077 0.000 1.020 103 V CB 2.047 33.493 31.823 -0.627 0.000 1.085 103 V HN 0.821 nan 8.190 nan 0.000 0.446 104 K N 1.436 121.557 120.400 -0.464 0.000 2.589 104 K HA 0.525 4.844 4.320 -0.000 0.000 0.265 104 K C -1.614 174.895 176.600 -0.152 0.000 0.935 104 K CA -0.482 55.454 56.287 -0.585 0.000 0.850 104 K CB 1.972 33.560 32.500 -1.521 0.000 1.372 104 K HN 1.328 nan 8.250 nan 0.000 0.420 105 H N -0.407 118.572 119.070 -0.152 0.000 2.960 105 H HA 0.506 5.062 4.556 -0.000 0.000 0.338 105 H C -1.253 174.050 175.328 -0.042 0.000 1.261 105 H CA -0.995 55.048 56.048 -0.007 0.000 1.136 105 H CB 1.560 31.417 29.762 0.158 0.000 1.875 105 H HN 0.563 nan 8.280 nan 0.000 0.550 106 N N -0.119 118.620 118.700 0.064 0.000 2.696 106 N HA 0.327 5.067 4.740 -0.000 0.000 0.308 106 N C -0.779 174.806 175.510 0.124 0.000 1.915 106 N CA -0.359 52.685 53.050 -0.010 0.000 0.906 106 N CB 1.474 39.954 38.487 -0.011 0.000 1.284 106 N HN 0.794 nan 8.380 nan 0.000 0.488 107 G N -0.503 108.502 108.800 0.341 0.000 2.491 107 G HA2 0.319 4.278 3.960 -0.000 0.000 0.327 107 G HA3 0.319 4.278 3.960 -0.000 0.000 0.327 107 G C -0.119 174.885 174.900 0.173 0.000 1.189 107 G CA -0.365 44.922 45.100 0.312 0.000 0.956 107 G HN 0.092 nan 8.290 nan 0.000 0.491 108 T N 0.629 115.244 114.554 0.103 0.000 2.853 108 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 108 T C 0.965 175.712 174.700 0.078 0.000 0.978 108 T CA 0.963 63.101 62.100 0.064 0.000 1.152 108 T CB 0.345 69.233 68.868 0.032 0.000 0.914 108 T HN 1.865 nan 8.240 nan 0.000 0.539 109 G N 2.980 111.823 108.800 0.071 0.000 2.760 109 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.246 109 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.246 109 G C -0.010 174.969 174.900 0.131 0.000 1.359 109 G CA -0.494 44.647 45.100 0.068 0.000 0.861 109 G HN 1.305 nan 8.290 nan 0.000 0.541 110 T N -1.144 113.471 114.554 0.102 0.000 2.882 110 T HA 0.661 5.011 4.350 -0.000 0.000 0.287 110 T C -0.089 174.658 174.700 0.079 0.000 0.992 110 T CA -0.177 62.016 62.100 0.155 0.000 1.076 110 T CB 1.879 70.810 68.868 0.104 0.000 0.961 110 T HN 0.646 nan 8.240 nan 0.000 0.490 111 E N 2.093 122.328 120.200 0.058 0.000 2.222 111 E HA 0.377 4.727 4.350 -0.000 0.000 0.272 111 E C -0.437 176.106 176.600 -0.095 0.000 0.982 111 E CA -0.718 55.568 56.400 -0.191 0.000 0.842 111 E CB 1.806 31.145 29.700 -0.602 0.000 1.144 111 E HN 0.731 nan 8.360 nan 0.000 0.397 112 T N 2.179 116.600 114.554 -0.222 0.000 2.749 112 T HA 0.402 4.752 4.350 -0.000 0.000 0.287 112 T C -0.324 174.182 174.700 -0.322 0.000 0.970 112 T CA -0.376 61.632 62.100 -0.154 0.000 0.980 112 T CB -0.103 68.690 68.868 -0.124 0.000 0.924 112 T HN 0.141 nan 8.240 nan 0.000 0.456 113 F N 2.450 122.292 119.950 -0.181 0.000 2.404 113 F HA 0.494 5.021 4.527 -0.000 0.000 0.339 113 F C 0.862 176.560 175.800 -0.170 0.000 1.105 113 F CA -0.775 57.090 58.000 -0.225 0.000 1.087 113 F CB 1.322 40.189 39.000 -0.221 0.000 1.143 113 F HN 0.237 nan 8.300 nan 0.000 0.491 114 K N 3.377 123.744 120.400 -0.054 0.000 2.502 114 K HA 0.443 4.762 4.320 -0.000 0.000 0.254 114 K C -1.505 175.071 176.600 -0.040 0.000 0.947 114 K CA -0.817 55.431 56.287 -0.065 0.000 0.834 114 K CB 1.627 34.059 32.500 -0.112 0.000 1.112 114 K HN 0.338 nan 8.250 nan 0.000 0.427 115 L N 2.858 124.058 121.223 -0.038 0.000 2.282 115 L HA 0.245 4.585 4.340 -0.000 0.000 0.287 115 L C -0.551 176.247 176.870 -0.119 0.000 1.075 115 L CA 0.382 55.194 54.840 -0.046 0.000 0.839 115 L CB 0.892 42.927 42.059 -0.040 0.000 1.219 115 L HN 0.502 nan 8.230 nan 0.000 0.434 116 S N 2.691 118.336 115.700 -0.092 0.000 2.462 116 S HA 0.540 5.010 4.470 -0.000 0.000 0.294 116 S C -0.203 174.307 174.600 -0.151 0.000 1.144 116 S CA -0.587 57.529 58.200 -0.139 0.000 1.088 116 S CB 1.577 64.718 63.200 -0.099 0.000 1.009 116 S HN 0.228 nan 8.310 nan 0.000 0.484 117 V N 4.207 123.965 119.914 -0.260 0.000 2.259 117 V HA 0.254 4.373 4.120 -0.000 0.000 0.267 117 V C 0.565 176.567 176.094 -0.154 0.000 1.051 117 V CA -0.642 61.538 62.300 -0.201 0.000 0.830 117 V CB 0.069 31.680 31.823 -0.353 0.000 1.080 117 V HN 0.986 nan 8.190 nan 0.000 0.467 118 S N 4.474 120.119 115.700 -0.092 0.000 2.617 118 S HA 0.671 5.141 4.470 -0.000 0.000 0.259 118 S C -0.179 174.423 174.600 0.003 0.000 1.301 118 S CA -0.002 58.127 58.200 -0.119 0.000 0.984 118 S CB 1.386 64.531 63.200 -0.092 0.000 0.954 118 S HN 0.872 nan 8.310 nan 0.000 0.572 119 Y N -1.879 118.433 120.300 0.019 0.000 2.524 119 Y HA 0.794 5.344 4.550 -0.000 0.000 0.234 119 Y C -1.568 174.338 175.900 0.010 0.000 1.951 119 Y CA -1.420 56.697 58.100 0.029 0.000 0.993 119 Y CB 0.047 38.548 38.460 0.068 0.000 3.348 119 Y HN 0.928 nan 8.280 nan 0.000 0.303 120 L N 1.961 123.579 121.223 0.658 0.000 3.077 120 L HA 0.478 4.818 4.340 -0.000 0.000 0.254 120 L C -2.368 174.568 176.870 0.110 0.000 0.959 120 L CA -0.564 54.441 54.840 0.275 0.000 1.030 120 L CB 1.656 43.780 42.059 0.109 0.000 1.679 120 L HN 0.813 nan 8.230 nan 0.000 0.468 121 D N 1.344 121.808 120.400 0.106 0.000 2.256 121 D HA 0.559 5.199 4.640 -0.000 0.000 0.240 121 D C 0.924 177.223 176.300 -0.003 0.000 1.062 121 D CA 0.539 54.552 54.000 0.022 0.000 0.832 121 D CB 1.889 42.745 40.800 0.094 0.000 1.135 121 D HN 0.622 nan 8.370 nan 0.000 0.484 122 S N 3.368 119.044 115.700 -0.039 0.000 2.349 122 S HA -0.167 4.303 4.470 -0.000 0.000 0.216 122 S C 1.584 176.176 174.600 -0.012 0.000 1.033 122 S CA 0.643 58.826 58.200 -0.028 0.000 1.021 122 S CB -0.365 62.810 63.200 -0.041 0.000 0.968 122 S HN 0.624 nan 8.310 nan 0.000 0.426 123 E N 0.955 121.148 120.200 -0.013 0.000 2.002 123 E HA -0.199 4.151 4.350 -0.000 0.000 0.213 123 E C 2.283 178.887 176.600 0.008 0.000 1.024 123 E CA 1.891 58.289 56.400 -0.002 0.000 0.876 123 E CB -0.472 29.226 29.700 -0.002 0.000 0.799 123 E HN 0.741 nan 8.360 nan 0.000 0.497 124 T N -0.954 113.610 114.554 0.017 0.000 3.227 124 T HA -0.078 4.272 4.350 -0.000 0.000 0.257 124 T C 0.587 175.305 174.700 0.029 0.000 1.162 124 T CA 0.824 62.939 62.100 0.026 0.000 1.051 124 T CB -0.073 68.817 68.868 0.036 0.000 0.953 124 T HN 0.193 nan 8.240 nan 0.000 0.535 125 E N -0.113 120.102 120.200 0.026 0.000 3.449 125 E HA -0.153 4.197 4.350 -0.000 0.000 0.289 125 E C -0.258 176.363 176.600 0.035 0.000 0.870 125 E CA 1.335 57.750 56.400 0.025 0.000 0.946 125 E CB -0.950 28.760 29.700 0.017 0.000 1.476 125 E HN 0.759 nan 8.360 nan 0.000 0.466 126 E N 0.619 120.849 120.200 0.049 0.000 2.191 126 E HA 0.216 4.566 4.350 -0.000 0.000 0.274 126 E C 0.919 177.570 176.600 0.085 0.000 0.948 126 E CA -0.517 55.914 56.400 0.052 0.000 0.802 126 E CB 1.244 30.968 29.700 0.041 0.000 1.137 126 E HN 0.021 nan 8.360 nan 0.000 0.397 127 E N 1.402 121.638 120.200 0.061 0.000 3.715 127 E HA -0.001 4.349 4.350 -0.000 0.000 0.434 127 E C -0.027 176.588 176.600 0.025 0.000 1.523 127 E CA 0.524 56.960 56.400 0.061 0.000 2.473 127 E CB 0.299 30.002 29.700 0.005 0.000 1.041 127 E HN 0.443 nan 8.360 nan 0.000 0.620 128 N N -1.708 116.930 118.700 -0.104 0.000 3.465 128 N HA 0.312 5.051 4.740 -0.000 0.000 0.244 128 N C -1.849 173.486 175.510 -0.292 0.000 1.454 128 N CA -0.445 52.442 53.050 -0.271 0.000 0.865 128 N CB 1.086 39.154 38.487 -0.699 0.000 1.439 128 N HN 0.156 nan 8.380 nan 0.000 0.480 129 K N -0.056 120.161 120.400 -0.304 0.000 2.642 129 K HA 0.553 4.872 4.320 -0.000 0.000 0.290 129 K C -1.993 174.472 176.600 -0.225 0.000 1.006 129 K CA -0.509 55.629 56.287 -0.248 0.000 0.869 129 K CB 1.712 34.114 32.500 -0.163 0.000 1.499 129 K HN 0.441 nan 8.250 nan 0.000 0.403 130 E N 0.408 120.472 120.200 -0.227 0.000 2.390 130 E HA 0.292 4.642 4.350 -0.000 0.000 0.280 130 E C -1.373 175.096 176.600 -0.218 0.000 0.992 130 E CA -0.919 55.358 56.400 -0.205 0.000 0.790 130 E CB 2.437 32.006 29.700 -0.217 0.000 1.248 130 E HN 0.189 nan 8.360 nan 0.000 0.447 131 V N 3.139 122.954 119.914 -0.166 0.000 2.432 131 V HA 0.207 4.327 4.120 -0.000 0.000 0.275 131 V C 0.866 176.853 176.094 -0.178 0.000 1.043 131 V CA 0.020 62.225 62.300 -0.159 0.000 0.925 131 V CB 0.701 32.458 31.823 -0.109 0.000 0.985 131 V HN 0.620 nan 8.190 nan 0.000 0.466 132 I N 1.744 122.177 120.570 -0.228 0.000 4.227 132 I HA 0.792 4.962 4.170 -0.000 0.000 0.334 132 I C 0.609 176.652 176.117 -0.123 0.000 1.341 132 I CA 0.065 61.221 61.300 -0.241 0.000 1.123 132 I CB 0.629 38.329 38.000 -0.499 0.000 1.097 132 I HN 0.484 nan 8.210 nan 0.000 0.399 133 A N 0.701 123.462 122.820 -0.099 0.000 2.500 133 A HA 0.703 5.023 4.320 -0.000 0.000 0.288 133 A C -0.566 176.995 177.584 -0.038 0.000 1.045 133 A CA -0.309 51.700 52.037 -0.046 0.000 0.830 133 A CB 0.636 19.620 19.000 -0.026 0.000 1.337 133 A HN 0.097 nan 8.150 nan 0.000 0.400 134 T N 1.761 116.299 114.554 -0.026 0.000 2.807 134 T HA 0.722 5.072 4.350 -0.000 0.000 0.279 134 T C -0.449 174.250 174.700 -0.001 0.000 0.993 134 T CA -0.416 61.673 62.100 -0.019 0.000 0.970 134 T CB 1.464 70.313 68.868 -0.032 0.000 0.950 134 T HN 0.659 nan 8.240 nan 0.000 0.441 135 K N 2.081 122.494 120.400 0.022 0.000 2.525 135 K HA 0.455 4.775 4.320 -0.000 0.000 0.254 135 K C -1.744 174.902 176.600 0.077 0.000 0.934 135 K CA -0.619 55.689 56.287 0.035 0.000 0.802 135 K CB 1.365 33.877 32.500 0.020 0.000 1.295 135 K HN 0.388 nan 8.250 nan 0.000 0.433 136 D N 1.735 122.171 120.400 0.060 0.000 2.210 136 D HA 0.399 5.039 4.640 -0.000 0.000 0.249 136 D C -0.755 175.613 176.300 0.113 0.000 1.062 136 D CA -0.224 53.827 54.000 0.085 0.000 0.891 136 D CB 1.669 42.497 40.800 0.046 0.000 1.186 136 D HN 0.135 nan 8.370 nan 0.000 0.432 137 V N 1.653 121.683 119.914 0.194 0.000 2.686 137 V HA 0.255 4.375 4.120 -0.000 0.000 0.306 137 V C -0.100 176.148 176.094 0.258 0.000 1.065 137 V CA -1.020 61.392 62.300 0.185 0.000 0.894 137 V CB 2.177 34.095 31.823 0.159 0.000 1.004 137 V HN 0.425 nan 8.190 nan 0.000 0.424 138 V N 2.481 122.451 119.914 0.094 0.000 2.546 138 V HA 0.878 4.998 4.120 -0.000 0.000 0.284 138 V C 0.805 176.785 176.094 -0.189 0.000 1.050 138 V CA -0.350 61.960 62.300 0.017 0.000 0.981 138 V CB 0.866 32.686 31.823 -0.006 0.000 0.990 138 V HN 1.247 nan 8.190 nan 0.000 0.474 139 A N 3.854 126.472 122.820 -0.337 0.000 2.609 139 A HA 0.390 4.710 4.320 -0.000 0.000 0.235 139 A C 1.862 179.240 177.584 -0.343 0.000 1.092 139 A CA 0.808 52.495 52.037 -0.584 0.000 0.780 139 A CB -1.090 17.733 19.000 -0.295 0.000 1.031 139 A HN 2.794 nan 8.150 nan 0.000 0.515 140 G N -0.644 107.965 108.800 -0.318 0.000 2.279 140 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.269 140 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.269 140 G C 0.258 175.052 174.900 -0.176 0.000 0.992 140 G CA 1.187 46.165 45.100 -0.204 0.000 0.656 140 G HN 0.910 nan 8.290 nan 0.000 0.551 141 E N -0.811 119.275 120.200 -0.190 0.000 2.175 141 E HA 0.330 4.680 4.350 -0.000 0.000 0.278 141 E C -0.659 175.877 176.600 -0.106 0.000 0.969 141 E CA -0.932 55.416 56.400 -0.085 0.000 0.796 141 E CB 0.691 30.370 29.700 -0.035 0.000 1.104 141 E HN 0.326 nan 8.360 nan 0.000 0.395 142 W N 2.719 124.029 121.300 0.017 0.000 2.585 142 W HA 0.078 4.738 4.660 -0.000 0.000 0.337 142 W C 0.108 176.675 176.519 0.080 0.000 1.226 142 W CA -0.079 57.306 57.345 0.067 0.000 1.463 142 W CB 0.417 29.941 29.460 0.108 0.000 1.458 142 W HN 0.178 nan 8.180 nan 0.000 0.458 143 T N 2.295 116.948 114.554 0.165 0.000 2.867 143 T HA 0.158 4.508 4.350 -0.000 0.000 0.282 143 T C -0.378 174.241 174.700 -0.134 0.000 1.000 143 T CA -0.886 61.225 62.100 0.019 0.000 1.042 143 T CB 1.745 70.570 68.868 -0.072 0.000 0.973 143 T HN 0.301 nan 8.240 nan 0.000 0.465 144 E N 3.095 123.079 120.200 -0.360 0.000 2.014 144 E HA 0.287 4.636 4.350 -0.000 0.000 0.275 144 E C -0.582 175.810 176.600 -0.347 0.000 0.997 144 E CA -0.398 55.564 56.400 -0.730 0.000 0.804 144 E CB 0.498 29.521 29.700 -1.129 0.000 1.090 144 E HN 0.591 nan 8.360 nan 0.000 0.401 145 I N 3.177 123.603 120.570 -0.241 0.000 2.720 145 I HA 0.202 4.371 4.170 -0.000 0.000 0.287 145 I C -0.424 175.656 176.117 -0.062 0.000 1.090 145 I CA 0.375 61.607 61.300 -0.113 0.000 1.384 145 I CB 0.995 38.951 38.000 -0.073 0.000 1.420 145 I HN 0.453 nan 8.210 nan 0.000 0.575 146 S N 4.402 120.097 115.700 -0.008 0.000 2.608 146 S HA 0.758 5.228 4.470 -0.000 0.000 0.285 146 S C -1.732 172.907 174.600 0.065 0.000 1.108 146 S CA 0.016 58.242 58.200 0.044 0.000 0.858 146 S CB 1.096 64.303 63.200 0.013 0.000 1.077 146 S HN 1.232 nan 8.310 nan 0.000 0.450 147 A N 3.768 126.663 122.820 0.125 0.000 2.580 147 A HA 0.550 4.870 4.320 -0.000 0.000 0.301 147 A C -1.229 176.497 177.584 0.237 0.000 1.054 147 A CA -0.880 51.236 52.037 0.131 0.000 0.751 147 A CB 0.884 19.925 19.000 0.069 0.000 1.275 147 A HN 0.656 nan 8.150 nan 0.000 0.403 148 K N 0.421 120.955 120.400 0.224 0.000 2.276 148 K HA 0.457 4.776 4.320 -0.000 0.000 0.259 148 K C -0.879 175.947 176.600 0.377 0.000 1.001 148 K CA 0.237 56.697 56.287 0.287 0.000 0.927 148 K CB 0.572 33.183 32.500 0.185 0.000 0.969 148 K HN 0.790 nan 8.250 nan 0.000 0.490 149 Y N -0.048 120.399 120.300 0.245 0.000 2.732 149 Y HA 0.222 4.772 4.550 -0.000 0.000 0.342 149 Y C -1.913 174.143 175.900 0.259 0.000 1.203 149 Y CA -1.182 57.052 58.100 0.224 0.000 1.092 149 Y CB 1.326 39.901 38.460 0.192 0.000 1.345 149 Y HN 0.620 nan 8.280 nan 0.000 0.458 150 K N 3.160 123.072 120.400 -0.813 0.000 2.565 150 K HA 0.918 5.237 4.320 -0.000 0.000 0.251 150 K C -1.705 174.400 176.600 -0.825 0.000 0.956 150 K CA -0.587 55.387 56.287 -0.521 0.000 0.809 150 K CB 1.964 34.330 32.500 -0.224 0.000 1.267 150 K HN 0.850 nan 8.250 nan 0.000 0.438 151 A N 3.550 126.197 122.820 -0.289 0.000 2.346 151 A HA 0.596 4.916 4.320 -0.000 0.000 0.252 151 A C -2.335 175.212 177.584 -0.063 0.000 1.089 151 A CA -1.174 50.864 52.037 0.002 0.000 0.797 151 A CB -0.310 18.784 19.000 0.157 0.000 1.047 151 A HN 0.683 nan 8.150 nan 0.000 0.494 152 P HA 0.266 nan 4.420 nan 0.000 0.280 152 P C 0.421 177.669 177.300 -0.087 0.000 1.272 152 P CA -0.699 62.372 63.100 -0.047 0.000 0.819 152 P CB 0.565 32.267 31.700 0.004 0.000 1.122 153 K N 0.114 120.478 120.400 -0.060 0.000 2.259 153 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 153 K C 1.282 177.837 176.600 -0.074 0.000 1.044 153 K CA 2.310 58.564 56.287 -0.056 0.000 0.931 153 K CB -1.249 31.227 32.500 -0.039 0.000 0.726 153 K HN 0.693 nan 8.250 nan 0.000 0.467 154 T N -2.982 111.512 114.554 -0.100 0.000 3.215 154 T HA 0.510 4.860 4.350 -0.000 0.000 0.271 154 T C 0.107 174.699 174.700 -0.181 0.000 1.012 154 T CA -0.249 61.789 62.100 -0.102 0.000 0.899 154 T CB 0.391 69.223 68.868 -0.061 0.000 1.089 154 T HN 0.087 nan 8.240 nan 0.000 0.552 155 A N 1.268 123.917 122.820 -0.285 0.000 2.325 155 A HA 0.899 5.219 4.320 -0.000 0.000 0.333 155 A C -0.098 177.293 177.584 -0.322 0.000 1.155 155 A CA -0.628 51.083 52.037 -0.543 0.000 0.814 155 A CB 1.545 19.840 19.000 -1.175 0.000 1.206 155 A HN 1.174 nan 8.150 nan 0.000 0.482 156 V N -0.570 119.192 119.914 -0.253 0.000 3.188 156 V HA 0.608 4.727 4.120 -0.000 0.000 0.305 156 V C -0.605 175.468 176.094 -0.036 0.000 1.232 156 V CA -0.867 61.369 62.300 -0.107 0.000 1.043 156 V CB 1.784 33.554 31.823 -0.087 0.000 1.068 156 V HN 1.199 nan 8.190 nan 0.000 0.439 157 N N 0.244 118.924 118.700 -0.034 0.000 2.725 157 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 157 N C -0.177 175.377 175.510 0.072 0.000 1.031 157 N CA 1.144 54.188 53.050 -0.010 0.000 0.720 157 N CB -1.540 36.936 38.487 -0.017 0.000 0.930 157 N HN 0.902 nan 8.380 nan 0.000 0.543 158 I N 0.938 121.568 120.570 0.100 0.000 2.792 158 I HA -0.084 4.086 4.170 -0.000 0.000 0.284 158 I C 0.884 177.093 176.117 0.154 0.000 1.166 158 I CA 0.889 62.303 61.300 0.191 0.000 1.375 158 I CB -0.041 38.079 38.000 0.201 0.000 1.421 158 I HN 0.064 nan 8.210 nan 0.000 0.544 159 T N 7.297 121.939 114.554 0.147 0.000 2.929 159 T HA 0.611 4.960 4.350 -0.000 0.000 0.284 159 T C -0.439 174.328 174.700 0.111 0.000 1.014 159 T CA -0.531 61.636 62.100 0.111 0.000 1.051 159 T CB 1.929 70.856 68.868 0.098 0.000 1.028 159 T HN 0.305 nan 8.240 nan 0.000 0.485 160 L N 2.230 123.506 121.223 0.088 0.000 2.381 160 L HA 0.790 5.130 4.340 -0.000 0.000 0.268 160 L C -0.646 176.319 176.870 0.159 0.000 0.997 160 L CA -0.130 54.789 54.840 0.132 0.000 0.818 160 L CB 1.950 44.175 42.059 0.277 0.000 1.310 160 L HN 0.825 nan 8.230 nan 0.000 0.416 161 S N 3.936 119.756 115.700 0.201 0.000 2.564 161 S HA 0.785 5.255 4.470 -0.000 0.000 0.274 161 S C -0.902 173.810 174.600 0.186 0.000 1.124 161 S CA -0.726 57.624 58.200 0.250 0.000 0.869 161 S CB 1.503 64.804 63.200 0.169 0.000 1.105 161 S HN 0.564 nan 8.310 nan 0.000 0.472 162 I N 2.096 122.781 120.570 0.192 0.000 2.500 162 I HA 0.514 4.684 4.170 -0.000 0.000 0.286 162 I C -0.477 175.689 176.117 0.082 0.000 1.063 162 I CA -0.144 61.217 61.300 0.101 0.000 1.062 162 I CB 2.230 40.242 38.000 0.021 0.000 1.223 162 I HN 1.030 nan 8.210 nan 0.000 0.435 163 T N 0.799 115.300 114.554 -0.089 0.000 2.865 163 T HA 0.726 5.076 4.350 -0.000 0.000 0.294 163 T C -0.254 174.129 174.700 -0.528 0.000 1.119 163 T CA -0.739 61.217 62.100 -0.241 0.000 1.007 163 T CB 2.050 70.845 68.868 -0.122 0.000 1.225 163 T HN 0.487 nan 8.240 nan 0.000 0.515 164 T N -1.676 112.468 114.554 -0.683 0.000 2.950 164 T HA 0.477 4.827 4.350 -0.000 0.000 0.288 164 T C -0.233 174.199 174.700 -0.447 0.000 1.035 164 T CA -0.696 60.910 62.100 -0.822 0.000 1.028 164 T CB 1.100 69.323 68.868 -1.075 0.000 1.109 164 T HN 0.442 nan 8.240 nan 0.000 0.514 165 D N 1.293 121.466 120.400 -0.378 0.000 2.490 165 D HA 0.221 4.861 4.640 -0.000 0.000 0.255 165 D C 0.802 176.973 176.300 -0.215 0.000 1.248 165 D CA 0.335 54.191 54.000 -0.240 0.000 0.887 165 D CB -0.490 40.198 40.800 -0.186 0.000 0.978 165 D HN 0.687 nan 8.370 nan 0.000 0.491 166 S N -2.916 112.639 115.700 -0.242 0.000 3.287 166 S HA 0.415 4.885 4.470 -0.000 0.000 0.324 166 S C 0.394 174.911 174.600 -0.137 0.000 1.205 166 S CA -0.534 57.554 58.200 -0.185 0.000 1.020 166 S CB 1.845 64.911 63.200 -0.223 0.000 1.398 166 S HN -0.123 nan 8.310 nan 0.000 0.679 167 T N 0.290 114.784 114.554 -0.101 0.000 3.460 167 T HA 0.394 4.744 4.350 -0.000 0.000 0.304 167 T C -0.759 173.934 174.700 -0.012 0.000 0.991 167 T CA -0.015 62.059 62.100 -0.045 0.000 0.975 167 T CB -0.097 68.752 68.868 -0.031 0.000 1.196 167 T HN 0.660 nan 8.240 nan 0.000 0.490 168 V N 2.259 122.150 119.914 -0.038 0.000 2.509 168 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 168 V C -0.406 175.768 176.094 0.134 0.000 1.047 168 V CA -0.643 61.659 62.300 0.004 0.000 0.952 168 V CB 1.081 32.843 31.823 -0.101 0.000 0.988 168 V HN 0.474 nan 8.190 nan 0.000 0.469 169 D N 6.153 126.637 120.400 0.140 0.000 2.443 169 D HA 0.277 4.916 4.640 -0.000 0.000 0.234 169 D C -0.339 176.159 176.300 0.330 0.000 1.172 169 D CA 1.061 55.163 54.000 0.171 0.000 0.878 169 D CB 0.284 41.135 40.800 0.084 0.000 1.204 169 D HN 0.550 nan 8.370 nan 0.000 0.453 170 F N -1.874 118.132 119.950 0.094 0.000 2.779 170 F HA 0.675 5.202 4.527 -0.000 0.000 0.316 170 F C -1.616 174.254 175.800 0.115 0.000 1.164 170 F CA -1.215 56.881 58.000 0.160 0.000 0.924 170 F CB 1.145 40.362 39.000 0.363 0.000 1.348 170 F HN 0.140 nan 8.300 nan 0.000 0.467 171 I N 1.692 122.336 120.570 0.124 0.000 2.722 171 I HA 0.600 4.770 4.170 -0.000 0.000 0.295 171 I C -1.323 174.921 176.117 0.211 0.000 1.161 171 I CA -0.811 60.471 61.300 -0.029 0.000 1.032 171 I CB 2.425 40.356 38.000 -0.115 0.000 1.244 171 I HN 0.771 nan 8.210 nan 0.000 0.421 172 F N 2.387 122.274 119.950 -0.104 0.000 2.650 172 F HA 0.856 5.383 4.527 -0.000 0.000 0.320 172 F C -1.257 174.491 175.800 -0.087 0.000 1.091 172 F CA -0.616 57.404 58.000 0.034 0.000 0.962 172 F CB 1.897 40.878 39.000 -0.032 0.000 1.363 172 F HN 0.324 nan 8.300 nan 0.000 0.482 173 D N -0.526 119.938 120.400 0.106 0.000 2.694 173 D HA 0.141 4.781 4.640 -0.000 0.000 0.260 173 D C -1.759 174.676 176.300 0.225 0.000 1.250 173 D CA -0.092 53.912 54.000 0.006 0.000 0.763 173 D CB 1.997 42.698 40.800 -0.164 0.000 1.311 173 D HN 0.810 nan 8.370 nan 0.000 0.420 174 D N 0.729 121.235 120.400 0.176 0.000 2.812 174 D HA -0.114 4.526 4.640 -0.000 0.000 0.237 174 D C -0.097 176.410 176.300 0.346 0.000 1.162 174 D CA 0.502 54.605 54.000 0.171 0.000 0.740 174 D CB -0.918 39.874 40.800 -0.013 0.000 1.000 174 D HN 0.100 nan 8.370 nan 0.000 0.416 175 V N 1.211 121.317 119.914 0.321 0.000 2.508 175 V HA 0.283 4.403 4.120 -0.000 0.000 0.281 175 V C 0.955 177.239 176.094 0.318 0.000 1.041 175 V CA 0.458 62.972 62.300 0.356 0.000 1.016 175 V CB 1.572 33.651 31.823 0.425 0.000 0.984 175 V HN 0.264 nan 8.190 nan 0.000 0.478 176 T N 6.216 120.946 114.554 0.295 0.000 3.050 176 T HA 0.618 4.967 4.350 -0.000 0.000 0.310 176 T C -0.575 174.206 174.700 0.136 0.000 0.978 176 T CA -0.233 61.997 62.100 0.217 0.000 1.013 176 T CB 0.903 69.887 68.868 0.194 0.000 1.000 176 T HN 0.373 nan 8.240 nan 0.000 0.447 177 I N 3.122 123.731 120.570 0.065 0.000 2.474 177 I HA 0.666 4.836 4.170 -0.000 0.000 0.294 177 I C 0.106 176.254 176.117 0.051 0.000 1.005 177 I CA -0.661 60.609 61.300 -0.050 0.000 1.113 177 I CB 2.194 40.048 38.000 -0.242 0.000 1.289 177 I HN 0.658 nan 8.210 nan 0.000 0.436 178 T N 2.707 117.329 114.554 0.113 0.000 2.916 178 T HA 0.703 5.053 4.350 -0.000 0.000 0.305 178 T C -0.722 174.099 174.700 0.202 0.000 1.119 178 T CA -1.094 61.109 62.100 0.171 0.000 1.008 178 T CB 2.170 71.101 68.868 0.106 0.000 1.129 178 T HN 0.798 nan 8.240 nan 0.000 0.480 179 R N 0.445 121.048 120.500 0.173 0.000 2.795 179 R HA 0.621 4.960 4.340 -0.000 0.000 0.275 179 R C -1.089 175.236 176.300 0.043 0.000 0.981 179 R CA -1.107 55.012 56.100 0.032 0.000 0.917 179 R CB 1.202 31.454 30.300 -0.079 0.000 1.202 179 R HN 0.263 nan 8.270 nan 0.000 0.469 180 K N 1.662 122.051 120.400 -0.019 0.000 2.472 180 K HA 0.216 4.536 4.320 -0.000 0.000 0.280 180 K C 0.429 177.037 176.600 0.014 0.000 1.028 180 K CA 1.766 58.053 56.287 0.001 0.000 1.045 180 K CB 0.387 32.873 32.500 -0.024 0.000 0.902 180 K HN 0.916 nan 8.250 nan 0.000 0.478 187 T N -0.130 114.436 114.554 0.020 0.000 3.050 187 T HA 0.966 5.316 4.350 -0.000 0.000 0.310 187 T C 1.088 175.798 174.700 0.016 0.000 0.978 187 T CA 0.411 62.526 62.100 0.025 0.000 1.013 187 T CB 0.209 69.087 68.868 0.017 0.000 1.000 187 T HN 1.651 nan 8.240 nan 0.000 0.447 188 V N 2.310 122.241 119.914 0.029 0.000 2.442 188 V HA 0.707 4.827 4.120 -0.000 0.000 0.195 188 V C 0.510 176.679 176.094 0.125 0.000 1.094 188 V CA 0.468 62.808 62.300 0.067 0.000 1.202 188 V CB -0.479 31.384 31.823 0.067 0.000 0.756 188 V HN 0.931 nan 8.190 nan 0.000 0.479 189 Y N 0.012 120.321 120.300 0.016 0.000 2.338 189 Y HA 0.702 5.252 4.550 -0.000 0.000 0.333 189 Y C 0.020 175.944 175.900 0.039 0.000 0.968 189 Y CA -1.247 56.868 58.100 0.026 0.000 1.123 189 Y CB 1.326 39.803 38.460 0.027 0.000 1.165 189 Y HN 0.575 nan 8.280 nan 0.000 0.452 190 A N 5.672 128.091 122.820 -0.669 0.000 2.666 190 A HA 0.677 4.996 4.320 -0.000 0.000 0.312 190 A C 0.149 177.363 177.584 -0.615 0.000 1.471 190 A CA -0.015 51.748 52.037 -0.458 0.000 1.134 190 A CB -0.975 17.861 19.000 -0.273 0.000 1.129 190 A HN 1.010 nan 8.150 nan 0.000 0.539 191 A N 3.765 126.479 122.820 -0.177 0.000 2.498 191 A HA 0.393 4.712 4.320 -0.000 0.000 0.239 191 A C 0.485 178.183 177.584 0.190 0.000 1.068 191 A CA -0.280 51.862 52.037 0.176 0.000 0.766 191 A CB 0.051 19.341 19.000 0.484 0.000 1.003 191 A HN 0.831 nan 8.150 nan 0.000 0.497 192 N N 0.373 119.141 118.700 0.113 0.000 2.476 192 N HA 0.422 5.162 4.740 -0.000 0.000 0.276 192 N C 0.170 175.580 175.510 -0.166 0.000 1.204 192 N CA 0.153 53.233 53.050 0.050 0.000 0.974 192 N CB 1.393 39.882 38.487 0.005 0.000 1.204 192 N HN 0.690 nan 8.380 nan 0.000 0.543 193 A N 0.527 123.262 122.820 -0.141 0.000 2.958 193 A HA 0.266 4.586 4.320 -0.000 0.000 0.247 193 A C 0.385 177.848 177.584 -0.203 0.000 1.679 193 A CA -0.354 51.484 52.037 -0.330 0.000 1.345 193 A CB -1.206 17.797 19.000 0.004 0.000 1.013 193 A HN 0.407 nan 8.150 nan 0.000 0.641 194 V N -2.877 116.891 119.914 -0.243 0.000 2.815 194 V HA 0.520 4.640 4.120 -0.000 0.000 0.314 194 V C 1.234 177.243 176.094 -0.141 0.000 1.064 194 V CA -0.817 61.424 62.300 -0.098 0.000 0.952 194 V CB 1.140 32.921 31.823 -0.071 0.000 1.020 194 V HN 0.389 nan 8.190 nan 0.000 0.439 195 L N 2.192 123.395 121.223 -0.033 0.000 1.978 195 L HA -0.239 4.101 4.340 -0.000 0.000 0.218 195 L C 2.815 179.744 176.870 0.098 0.000 1.075 195 L CA 2.852 57.712 54.840 0.035 0.000 0.767 195 L CB -0.652 41.396 42.059 -0.019 0.000 0.890 195 L HN 0.986 nan 8.230 nan 0.000 0.434 196 K N -0.784 119.638 120.400 0.037 0.000 2.103 196 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 196 K C 0.597 177.233 176.600 0.061 0.000 1.048 196 K CA 1.104 57.445 56.287 0.090 0.000 0.930 196 K CB -0.452 32.088 32.500 0.067 0.000 0.716 196 K HN 0.238 nan 8.250 nan 0.000 0.444 200 A N 0.355 123.242 122.820 0.112 0.000 2.024 200 A HA -0.187 4.132 4.320 -0.000 0.000 0.220 200 A C 1.730 179.317 177.584 0.005 0.000 1.164 200 A CA 2.026 54.100 52.037 0.063 0.000 0.643 200 A CB -0.278 18.746 19.000 0.040 0.000 0.806 200 A HN 0.440 nan 8.150 nan 0.000 0.451 201 N N -2.086 116.594 118.700 -0.034 0.000 2.268 201 N HA 0.148 4.888 4.740 -0.000 0.000 0.204 201 N C 0.144 175.345 175.510 -0.516 0.000 1.124 201 N CA 0.412 53.317 53.050 -0.242 0.000 0.838 201 N CB 0.203 38.513 38.487 -0.294 0.000 0.994 201 N HN 0.652 nan 8.380 nan 0.000 0.489 202 Y N -0.476 119.706 120.300 -0.197 0.000 2.817 202 Y HA 0.218 4.768 4.550 -0.000 0.000 0.257 202 Y C 0.005 175.734 175.900 -0.286 0.000 1.055 202 Y CA -0.145 57.716 58.100 -0.398 0.000 1.319 202 Y CB 0.533 38.506 38.460 -0.810 0.000 1.481 202 Y HN -0.120 nan 8.280 nan 0.000 0.471 203 F N -2.412 117.738 119.950 0.334 0.000 2.799 203 F HA 0.506 5.033 4.527 -0.000 0.000 0.316 203 F C -0.804 175.104 175.800 0.180 0.000 1.155 203 F CA -2.120 56.008 58.000 0.212 0.000 0.916 203 F CB 0.625 39.735 39.000 0.185 0.000 1.294 203 F HN -0.396 nan 8.300 nan 0.000 0.447 204 R N 0.496 121.234 120.500 0.397 0.000 2.679 204 R HA 0.741 5.081 4.340 -0.000 0.000 0.269 204 R C -1.372 175.142 176.300 0.357 0.000 1.076 204 R CA -0.588 55.662 56.100 0.250 0.000 1.160 204 R CB 1.272 31.606 30.300 0.057 0.000 1.054 204 R HN 0.577 nan 8.270 nan 0.000 0.507 205 V N 1.573 121.680 119.914 0.323 0.000 2.525 205 V HA 0.576 4.696 4.120 -0.000 0.000 0.299 205 V C 0.210 176.581 176.094 0.462 0.000 1.034 205 V CA -0.609 61.914 62.300 0.372 0.000 0.863 205 V CB 1.799 33.852 31.823 0.383 0.000 0.999 205 V HN 0.983 nan 8.190 nan 0.000 0.423 206 G N 2.123 111.158 108.800 0.391 0.000 2.730 206 G HA2 0.807 4.767 3.960 -0.000 0.000 0.289 206 G HA3 0.807 4.767 3.960 -0.000 0.000 0.289 206 G C -0.890 173.883 174.900 -0.211 0.000 1.341 206 G CA -0.187 45.028 45.100 0.193 0.000 0.932 206 G HN 0.818 nan 8.290 nan 0.000 0.481 207 S N -2.039 113.379 115.700 -0.471 0.000 2.819 207 S HA 0.725 5.195 4.470 -0.000 0.000 0.299 207 S C -1.642 172.717 174.600 -0.401 0.000 1.192 207 S CA -0.436 57.373 58.200 -0.652 0.000 0.847 207 S CB 1.527 63.840 63.200 -1.479 0.000 1.224 207 S HN 0.832 nan 8.310 nan 0.000 0.537 208 V N 1.877 121.522 119.914 -0.448 0.000 2.555 208 V HA 0.628 4.747 4.120 -0.000 0.000 0.302 208 V C -0.761 175.106 176.094 -0.377 0.000 1.038 208 V CA -0.507 61.483 62.300 -0.517 0.000 0.887 208 V CB 1.330 32.581 31.823 -0.954 0.000 0.991 208 V HN 0.751 nan 8.190 nan 0.000 0.434 209 L N 4.808 125.849 121.223 -0.303 0.000 2.319 209 L HA 0.697 5.037 4.340 -0.000 0.000 0.267 209 L C -0.492 176.232 176.870 -0.243 0.000 1.011 209 L CA -0.522 54.179 54.840 -0.233 0.000 0.818 209 L CB 2.342 44.312 42.059 -0.149 0.000 1.316 209 L HN 0.896 nan 8.230 nan 0.000 0.432 210 N N -2.294 116.273 118.700 -0.221 0.000 2.774 210 N HA 0.232 4.972 4.740 -0.000 0.000 0.264 210 N C 0.306 175.704 175.510 -0.186 0.000 1.415 210 N CA -0.277 52.663 53.050 -0.183 0.000 0.815 210 N CB 0.984 39.378 38.487 -0.154 0.000 1.514 210 N HN 0.431 nan 8.380 nan 0.000 0.523 211 S N -1.464 114.154 115.700 -0.136 0.000 2.407 211 S HA -0.170 4.300 4.470 -0.000 0.000 0.235 211 S C 1.699 176.206 174.600 -0.156 0.000 1.036 211 S CA 1.472 59.594 58.200 -0.131 0.000 1.013 211 S CB -1.470 61.689 63.200 -0.069 0.000 0.820 211 S HN 0.783 nan 8.310 nan 0.000 0.476 212 G N 1.700 110.419 108.800 -0.136 0.000 2.424 212 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.214 212 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.214 212 G C 1.723 176.508 174.900 -0.193 0.000 1.202 212 G CA 1.427 46.444 45.100 -0.137 0.000 0.793 212 G HN 0.717 nan 8.290 nan 0.000 0.534 213 T N -1.002 113.428 114.554 -0.206 0.000 3.023 213 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 213 T C 1.993 176.474 174.700 -0.365 0.000 1.093 213 T CA 0.721 62.694 62.100 -0.212 0.000 1.129 213 T CB -0.142 68.629 68.868 -0.163 0.000 0.899 213 T HN 0.025 nan 8.240 nan 0.000 0.491 214 V N 2.538 122.119 119.914 -0.555 0.000 3.504 214 V HA 0.019 4.138 4.120 -0.000 0.000 0.273 214 V C 0.627 175.850 176.094 -1.452 0.000 1.228 214 V CA 0.982 62.558 62.300 -1.207 0.000 1.189 214 V CB -1.189 30.130 31.823 -0.840 0.000 0.881 214 V HN 0.539 nan 8.190 nan 0.000 0.529 215 N N 0.230 118.490 118.700 -0.734 0.000 2.143 215 N HA 0.105 4.845 4.740 -0.000 0.000 0.229 215 N C 0.005 175.403 175.510 -0.186 0.000 1.294 215 N CA -0.074 52.721 53.050 -0.425 0.000 0.883 215 N CB 0.311 38.640 38.487 -0.264 0.000 1.148 215 N HN 0.387 nan 8.380 nan 0.000 0.511 216 N N 0.929 119.554 118.700 -0.126 0.000 2.426 216 N HA 0.181 4.921 4.740 -0.000 0.000 0.275 216 N C 0.745 176.324 175.510 0.114 0.000 1.019 216 N CA 0.094 53.141 53.050 -0.004 0.000 0.941 216 N CB 1.587 40.060 38.487 -0.022 0.000 1.123 216 N HN -0.198 nan 8.380 nan 0.000 0.486 217 S N 2.026 117.762 115.700 0.061 0.000 2.359 217 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 217 S C 1.642 176.240 174.600 -0.004 0.000 1.039 217 S CA 2.045 60.267 58.200 0.037 0.000 1.042 217 S CB -0.015 63.193 63.200 0.014 0.000 0.915 217 S HN 0.772 nan 8.310 nan 0.000 0.439 218 S N 1.027 116.720 115.700 -0.012 0.000 2.425 218 S HA 0.173 4.643 4.470 -0.000 0.000 0.225 218 S C 1.775 176.341 174.600 -0.057 0.000 1.024 218 S CA 0.434 58.608 58.200 -0.043 0.000 0.951 218 S CB -0.340 62.834 63.200 -0.045 0.000 0.796 218 S HN 0.384 nan 8.310 nan 0.000 0.498 219 I N 1.934 122.492 120.570 -0.021 0.000 2.226 219 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 219 I C 2.614 178.710 176.117 -0.034 0.000 1.100 219 I CA 1.193 62.484 61.300 -0.016 0.000 1.374 219 I CB -0.203 37.805 38.000 0.013 0.000 1.057 219 I HN 0.246 nan 8.210 nan 0.000 0.413 220 K N 1.154 121.506 120.400 -0.079 0.000 2.032 220 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 220 K C 2.205 178.714 176.600 -0.152 0.000 1.048 220 K CA 1.696 57.757 56.287 -0.375 0.000 0.927 220 K CB -0.153 31.929 32.500 -0.697 0.000 0.712 220 K HN 0.307 nan 8.250 nan 0.000 0.441 221 A N 1.324 124.082 122.820 -0.104 0.000 1.858 221 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 221 A C 2.117 179.654 177.584 -0.078 0.000 1.190 221 A CA 1.595 53.589 52.037 -0.072 0.000 0.617 221 A CB -0.797 18.161 19.000 -0.069 0.000 0.827 221 A HN 0.406 nan 8.150 nan 0.000 0.443 222 L N 0.099 121.251 121.223 -0.118 0.000 1.990 222 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 222 L C 2.246 179.100 176.870 -0.028 0.000 1.072 222 L CA 1.969 56.703 54.840 -0.176 0.000 0.755 222 L CB -0.324 41.567 42.059 -0.280 0.000 0.889 222 L HN 0.414 nan 8.230 nan 0.000 0.432 223 I N -0.659 119.970 120.570 0.097 0.000 2.194 223 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 223 I C 2.536 178.784 176.117 0.218 0.000 1.093 223 I CA 1.688 63.162 61.300 0.291 0.000 1.355 223 I CB -1.246 36.920 38.000 0.277 0.000 1.046 223 I HN 0.367 nan 8.210 nan 0.000 0.413 224 L N -0.059 121.240 121.223 0.126 0.000 2.044 224 L HA -0.145 4.194 4.340 -0.000 0.000 0.205 224 L C 2.845 179.727 176.870 0.020 0.000 1.075 224 L CA 1.068 55.953 54.840 0.074 0.000 0.747 224 L CB -0.595 41.492 42.059 0.047 0.000 0.903 224 L HN 0.144 nan 8.230 nan 0.000 0.435 225 R N 0.047 120.534 120.500 -0.022 0.000 2.080 225 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 225 R C 2.105 178.351 176.300 -0.090 0.000 1.137 225 R CA 1.751 57.816 56.100 -0.059 0.000 0.943 225 R CB 0.069 30.309 30.300 -0.100 0.000 0.846 225 R HN 0.316 nan 8.270 nan 0.000 0.431 226 E N -1.229 118.864 120.200 -0.179 0.000 2.290 226 E HA 0.056 4.406 4.350 -0.000 0.000 0.197 226 E C -0.188 176.159 176.600 -0.423 0.000 0.948 226 E CA 0.340 56.519 56.400 -0.367 0.000 0.895 226 E CB 0.433 29.748 29.700 -0.642 0.000 0.865 226 E HN 0.124 nan 8.360 nan 0.000 0.486 227 F N 2.003 122.000 119.950 0.079 0.000 2.508 227 F HA 0.256 4.782 4.527 -0.000 0.000 0.325 227 F C 0.976 176.815 175.800 0.066 0.000 1.090 227 F CA -1.080 56.975 58.000 0.093 0.000 0.945 227 F CB 0.982 40.042 39.000 0.100 0.000 1.156 227 F HN -0.166 nan 8.300 nan 0.000 0.463 228 N N -0.004 118.856 118.700 0.266 0.000 2.351 228 N HA 0.172 4.912 4.740 -0.000 0.000 0.254 228 N C -0.820 174.744 175.510 0.090 0.000 1.241 228 N CA -0.128 53.000 53.050 0.130 0.000 0.883 228 N CB 1.147 39.669 38.487 0.058 0.000 1.202 228 N HN 0.346 nan 8.380 nan 0.000 0.512 229 S N 0.313 116.111 115.700 0.163 0.000 2.546 229 S HA 0.659 5.129 4.470 -0.000 0.000 0.272 229 S C -1.874 172.792 174.600 0.111 0.000 1.140 229 S CA -0.663 57.628 58.200 0.153 0.000 0.920 229 S CB 0.768 64.097 63.200 0.215 0.000 1.083 229 S HN 0.109 nan 8.310 nan 0.000 0.476 230 I N 3.340 123.968 120.570 0.096 0.000 2.647 230 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 230 I C -0.114 175.988 176.117 -0.026 0.000 1.078 230 I CA -0.342 60.960 61.300 0.004 0.000 1.048 230 I CB 2.120 40.148 38.000 0.045 0.000 1.239 230 I HN 0.601 nan 8.210 nan 0.000 0.421 231 T N 3.703 118.186 114.554 -0.117 0.000 2.887 231 T HA 0.371 4.721 4.350 -0.000 0.000 0.288 231 T C -0.432 174.148 174.700 -0.201 0.000 1.021 231 T CA -0.320 61.699 62.100 -0.135 0.000 1.000 231 T CB 1.566 70.366 68.868 -0.114 0.000 1.034 231 T HN 0.553 nan 8.240 nan 0.000 0.467 232 C N 2.459 121.680 119.300 -0.131 0.000 2.482 232 C HA 0.209 4.669 4.460 -0.000 0.000 0.378 232 C C 2.197 177.101 174.990 -0.144 0.000 1.284 232 C CA -0.468 58.470 59.018 -0.133 0.000 1.826 232 C CB -0.662 27.035 27.740 -0.071 0.000 2.473 232 C HN 1.102 nan 8.230 nan 0.000 0.562 233 E N 2.218 122.252 120.200 -0.276 0.000 2.097 233 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 233 E C 1.400 178.013 176.600 0.022 0.000 1.000 233 E CA 1.640 57.853 56.400 -0.311 0.000 0.804 233 E CB 0.209 29.697 29.700 -0.355 0.000 0.740 233 E HN 0.742 nan 8.360 nan 0.000 0.454 234 N N -1.208 117.503 118.700 0.018 0.000 2.200 234 N HA 0.033 4.773 4.740 -0.000 0.000 0.233 234 N C -0.190 175.358 175.510 0.063 0.000 1.236 234 N CA 0.042 53.141 53.050 0.083 0.000 0.845 234 N CB 0.475 39.003 38.487 0.069 0.000 1.257 234 N HN -0.039 nan 8.380 nan 0.000 0.472 238 P HA -0.179 nan 4.420 nan 0.000 0.220 238 P C 0.417 177.648 177.300 -0.115 0.000 1.148 238 P CA 1.382 64.412 63.100 -0.115 0.000 0.803 238 P CB 0.145 31.630 31.700 -0.359 0.000 0.782 239 D N -0.515 119.861 120.400 -0.041 0.000 2.234 239 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 239 D C 1.608 177.942 176.300 0.057 0.000 0.962 239 D CA 0.985 54.979 54.000 -0.010 0.000 0.855 239 D CB -1.050 39.753 40.800 0.005 0.000 0.951 239 D HN 0.068 nan 8.370 nan 0.000 0.500 240 A N 0.060 122.920 122.820 0.067 0.000 2.206 240 A HA 0.105 4.424 4.320 -0.000 0.000 0.211 240 A C 2.015 179.655 177.584 0.094 0.000 1.158 240 A CA 1.582 53.667 52.037 0.080 0.000 0.761 240 A CB -0.501 18.541 19.000 0.070 0.000 0.801 240 A HN 0.446 nan 8.150 nan 0.000 0.473 241 T N -3.784 110.833 114.554 0.105 0.000 2.958 241 T HA 0.412 4.762 4.350 -0.000 0.000 0.256 241 T C 0.467 175.276 174.700 0.180 0.000 0.983 241 T CA -0.306 61.877 62.100 0.139 0.000 0.924 241 T CB -0.379 68.584 68.868 0.159 0.000 1.136 241 T HN 0.117 nan 8.240 nan 0.000 0.506 242 L N 2.317 123.630 121.223 0.150 0.000 2.452 242 L HA 0.528 4.867 4.340 -0.000 0.000 0.267 242 L C -0.594 176.461 176.870 0.308 0.000 1.188 242 L CA -0.693 54.275 54.840 0.213 0.000 0.821 242 L CB 1.168 43.246 42.059 0.031 0.000 1.102 242 L HN 0.045 nan 8.230 nan 0.000 0.470 243 V N 2.435 122.541 119.914 0.321 0.000 2.443 243 V HA 0.122 4.242 4.120 -0.000 0.000 0.293 243 V C 0.558 176.671 176.094 0.031 0.000 1.021 243 V CA -0.503 61.905 62.300 0.180 0.000 0.848 243 V CB 1.339 33.218 31.823 0.094 0.000 0.998 243 V HN 0.866 nan 8.190 nan 0.000 0.424 244 Q N 3.436 123.062 119.800 -0.291 0.000 1.993 244 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 244 Q C 1.448 177.125 176.000 -0.539 0.000 0.984 244 Q CA 1.873 57.104 55.803 -0.953 0.000 0.837 244 Q CB 0.000 28.033 28.738 -1.175 0.000 0.902 244 Q HN 0.854 nan 8.270 nan 0.000 0.423 245 S N -0.608 114.892 115.700 -0.332 0.000 2.555 245 S HA 0.282 4.752 4.470 -0.000 0.000 0.293 245 S C 0.768 175.241 174.600 -0.213 0.000 1.248 245 S CA 0.483 58.538 58.200 -0.241 0.000 1.096 245 S CB 0.145 63.254 63.200 -0.151 0.000 0.881 245 S HN 0.833 nan 8.310 nan 0.000 0.498 246 G N 3.361 112.014 108.800 -0.245 0.000 2.159 246 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.256 246 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.256 246 G C 0.273 175.014 174.900 -0.266 0.000 0.977 246 G CA 0.195 45.166 45.100 -0.215 0.000 0.652 246 G HN 0.988 nan 8.290 nan 0.000 0.531 247 S N 0.189 115.648 115.700 -0.402 0.000 2.592 247 S HA 0.698 5.168 4.470 -0.000 0.000 0.271 247 S C 0.574 174.743 174.600 -0.718 0.000 1.326 247 S CA 0.722 58.653 58.200 -0.449 0.000 1.024 247 S CB 1.489 64.487 63.200 -0.337 0.000 0.921 247 S HN 1.457 nan 8.310 nan 0.000 0.527 248 T N -0.231 114.109 114.554 -0.356 0.000 2.868 248 T HA 0.368 4.718 4.350 -0.000 0.000 0.306 248 T C 0.314 175.135 174.700 0.202 0.000 1.224 248 T CA -0.970 61.039 62.100 -0.152 0.000 1.012 248 T CB 0.836 69.657 68.868 -0.079 0.000 1.221 248 T HN 0.332 nan 8.240 nan 0.000 0.499 249 N N 0.911 119.809 118.700 0.329 0.000 2.513 249 N HA -0.032 4.708 4.740 -0.000 0.000 0.187 249 N C 1.434 177.041 175.510 0.162 0.000 1.056 249 N CA 1.695 54.912 53.050 0.278 0.000 0.907 249 N CB -0.242 38.355 38.487 0.183 0.000 0.954 249 N HN 0.901 nan 8.380 nan 0.000 0.445 250 T N -4.528 110.096 114.554 0.117 0.000 3.058 250 T HA 0.169 4.519 4.350 -0.000 0.000 0.278 250 T C 0.227 174.961 174.700 0.057 0.000 0.974 250 T CA -0.460 61.685 62.100 0.076 0.000 0.893 250 T CB 0.470 69.370 68.868 0.053 0.000 1.138 250 T HN -0.070 nan 8.240 nan 0.000 0.529 251 N N 1.867 120.603 118.700 0.059 0.000 2.576 251 N HA 0.322 5.062 4.740 -0.000 0.000 0.269 251 N C -1.264 174.289 175.510 0.072 0.000 1.058 251 N CA -0.345 52.728 53.050 0.038 0.000 0.860 251 N CB 1.116 39.598 38.487 -0.007 0.000 1.249 251 N HN 0.193 nan 8.380 nan 0.000 0.525 252 I N 3.273 123.923 120.570 0.135 0.000 2.301 252 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 252 I C 0.944 177.158 176.117 0.162 0.000 1.046 252 I CA -0.368 61.065 61.300 0.222 0.000 1.282 252 I CB 0.476 38.725 38.000 0.415 0.000 1.409 252 I HN 0.193 nan 8.210 nan 0.000 0.484 253 R N 5.152 125.727 120.500 0.124 0.000 2.404 253 R HA 0.285 4.624 4.340 -0.000 0.000 0.315 253 R C -0.140 176.248 176.300 0.145 0.000 1.032 253 R CA -0.154 56.000 56.100 0.090 0.000 0.992 253 R CB 0.636 30.955 30.300 0.032 0.000 0.959 253 R HN 0.559 nan 8.270 nan 0.000 0.428 254 V N -0.425 119.553 119.914 0.106 0.000 2.975 254 V HA 0.763 4.883 4.120 -0.000 0.000 0.318 254 V C -0.155 175.991 176.094 0.087 0.000 1.077 254 V CA -0.801 61.562 62.300 0.105 0.000 1.000 254 V CB 2.047 33.873 31.823 0.005 0.000 1.066 254 V HN 0.660 nan 8.190 nan 0.000 0.452 255 S N 1.194 116.948 115.700 0.089 0.000 2.592 255 S HA 0.503 4.973 4.470 -0.000 0.000 0.275 255 S C -0.220 174.426 174.600 0.076 0.000 1.169 255 S CA -0.709 57.544 58.200 0.089 0.000 0.958 255 S CB 1.316 64.584 63.200 0.113 0.000 1.095 255 S HN 0.804 nan 8.310 nan 0.000 0.471 256 L N 4.045 125.307 121.223 0.065 0.000 2.612 256 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 256 L C 1.487 178.396 176.870 0.065 0.000 1.140 256 L CA -0.098 54.773 54.840 0.051 0.000 0.896 256 L CB -0.645 41.442 42.059 0.046 0.000 1.065 256 L HN 0.552 nan 8.230 nan 0.000 0.447 257 N N 0.800 119.557 118.700 0.095 0.000 2.137 257 N HA -0.160 4.579 4.740 -0.000 0.000 0.190 257 N C 1.877 177.444 175.510 0.095 0.000 1.017 257 N CA 1.146 54.261 53.050 0.109 0.000 0.859 257 N CB -0.072 38.528 38.487 0.189 0.000 1.002 257 N HN 0.244 nan 8.380 nan 0.000 0.428 258 R N 0.026 120.575 120.500 0.082 0.000 2.115 258 R HA 0.152 4.492 4.340 -0.000 0.000 0.226 258 R C 1.500 177.807 176.300 0.012 0.000 1.100 258 R CA 0.918 57.052 56.100 0.058 0.000 0.980 258 R CB -0.290 30.043 30.300 0.054 0.000 0.875 258 R HN 0.212 nan 8.270 nan 0.000 0.445 259 A N 0.714 123.532 122.820 -0.002 0.000 2.251 259 A HA 0.279 4.599 4.320 -0.000 0.000 0.209 259 A C 2.095 179.627 177.584 -0.087 0.000 1.187 259 A CA 0.777 52.785 52.037 -0.048 0.000 0.823 259 A CB -0.066 18.901 19.000 -0.055 0.000 0.846 259 A HN 0.268 nan 8.150 nan 0.000 0.486 260 A N 0.743 123.534 122.820 -0.049 0.000 1.855 260 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 260 A C 2.520 180.083 177.584 -0.034 0.000 1.191 260 A CA 2.096 54.104 52.037 -0.048 0.000 0.613 260 A CB -1.004 18.029 19.000 0.056 0.000 0.829 260 A HN 0.947 nan 8.150 nan 0.000 0.442 261 S N 0.146 115.840 115.700 -0.009 0.000 2.382 261 S HA -0.129 4.340 4.470 -0.000 0.000 0.228 261 S C 1.878 176.508 174.600 0.051 0.000 1.027 261 S CA 1.425 59.644 58.200 0.032 0.000 0.991 261 S CB -0.794 62.385 63.200 -0.034 0.000 0.823 261 S HN 0.462 nan 8.310 nan 0.000 0.469 262 I N 1.572 122.126 120.570 -0.027 0.000 2.142 262 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 262 I C 2.504 178.647 176.117 0.044 0.000 1.078 262 I CA 1.370 62.682 61.300 0.019 0.000 1.343 262 I CB -0.480 37.491 38.000 -0.048 0.000 1.046 262 I HN 0.268 nan 8.210 nan 0.000 0.405 263 L N 0.386 121.528 121.223 -0.136 0.000 2.079 263 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 263 L C 2.332 179.067 176.870 -0.226 0.000 1.081 263 L CA 1.277 55.943 54.840 -0.289 0.000 0.752 263 L CB -0.811 40.834 42.059 -0.689 0.000 0.896 263 L HN 0.351 nan 8.230 nan 0.000 0.433 264 N N 0.732 119.362 118.700 -0.117 0.000 2.006 264 N HA -0.290 4.450 4.740 -0.000 0.000 0.196 264 N C 1.797 177.475 175.510 0.280 0.000 1.057 264 N CA 1.777 54.967 53.050 0.234 0.000 0.853 264 N CB -0.468 38.237 38.487 0.364 0.000 1.051 264 N HN 0.251 nan 8.380 nan 0.000 0.423 265 F N 0.701 120.770 119.950 0.198 0.000 2.154 265 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 265 F C 2.221 178.093 175.800 0.121 0.000 1.087 265 F CA 1.382 59.509 58.000 0.212 0.000 1.274 265 F CB -0.551 38.618 39.000 0.282 0.000 1.009 265 F HN 0.166 nan 8.300 nan 0.000 0.485 266 C N 0.275 119.644 119.300 0.115 0.000 2.450 266 C HA 0.095 4.554 4.460 -0.000 0.000 0.279 266 C C 3.129 178.089 174.990 -0.051 0.000 1.335 266 C CA 0.863 59.856 59.018 -0.041 0.000 1.749 266 C CB -1.726 26.062 27.740 0.081 0.000 1.963 266 C HN 0.666 nan 8.230 nan 0.000 0.501 267 A N -0.064 122.776 122.820 0.034 0.000 1.874 267 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 267 A C 2.044 179.641 177.584 0.022 0.000 1.189 267 A CA 1.397 53.477 52.037 0.072 0.000 0.615 267 A CB -0.695 18.424 19.000 0.199 0.000 0.830 267 A HN 0.599 nan 8.150 nan 0.000 0.443 268 Q N 0.049 119.862 119.800 0.021 0.000 2.112 268 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 268 Q C 0.777 176.715 176.000 -0.103 0.000 0.987 268 Q CA 1.782 57.572 55.803 -0.023 0.000 0.858 268 Q CB -0.072 28.673 28.738 0.010 0.000 0.905 268 Q HN 0.663 nan 8.270 nan 0.000 0.420 269 N N 0.142 118.705 118.700 -0.228 0.000 2.273 269 N HA 0.026 4.766 4.740 -0.000 0.000 0.231 269 N C -0.628 174.779 175.510 -0.171 0.000 1.134 269 N CA 0.006 52.907 53.050 -0.248 0.000 0.856 269 N CB 0.623 38.838 38.487 -0.453 0.000 1.068 269 N HN 0.175 nan 8.380 nan 0.000 0.510 270 N N 1.076 119.711 118.700 -0.109 0.000 2.738 270 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 270 N C -1.233 174.240 175.510 -0.062 0.000 1.047 270 N CA 0.469 53.480 53.050 -0.064 0.000 0.707 270 N CB -1.360 37.096 38.487 -0.052 0.000 0.937 270 N HN 0.378 nan 8.380 nan 0.000 0.545 271 I N 0.233 120.764 120.570 -0.065 0.000 2.441 271 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 271 I C 0.849 176.972 176.117 0.010 0.000 0.994 271 I CA -0.728 60.556 61.300 -0.026 0.000 1.144 271 I CB 1.697 39.679 38.000 -0.029 0.000 1.314 271 I HN 0.277 nan 8.210 nan 0.000 0.445 272 A N 5.977 128.799 122.820 0.003 0.000 2.286 272 A HA 0.770 5.090 4.320 -0.000 0.000 0.286 272 A C -0.657 177.054 177.584 0.212 0.000 1.097 272 A CA -0.404 51.665 52.037 0.054 0.000 0.821 272 A CB 1.114 20.010 19.000 -0.174 0.000 1.076 272 A HN 0.454 nan 8.150 nan 0.000 0.490 273 V N 1.709 121.805 119.914 0.304 0.000 2.656 273 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 273 V C -0.174 175.973 176.094 0.088 0.000 1.051 273 V CA -0.667 61.738 62.300 0.175 0.000 0.893 273 V CB 1.876 33.737 31.823 0.064 0.000 0.999 273 V HN 0.953 nan 8.190 nan 0.000 0.426 274 R N 2.821 123.281 120.500 -0.067 0.000 2.297 274 R HA 0.524 4.863 4.340 -0.000 0.000 0.308 274 R C 0.414 176.497 176.300 -0.361 0.000 1.029 274 R CA -0.408 55.506 56.100 -0.310 0.000 0.929 274 R CB 1.378 31.487 30.300 -0.319 0.000 1.046 274 R HN 0.864 nan 8.270 nan 0.000 0.461 275 G N 1.933 110.348 108.800 -0.642 0.000 2.351 275 G HA2 0.110 4.070 3.960 -0.000 0.000 0.287 275 G HA3 0.110 4.070 3.960 -0.000 0.000 0.287 275 G C -0.880 173.493 174.900 -0.879 0.000 1.159 275 G CA -0.008 44.267 45.100 -1.375 0.000 0.929 275 G HN 0.614 nan 8.290 nan 0.000 0.435 276 H N 0.858 119.632 119.070 -0.494 0.000 2.970 276 H HA 0.625 5.181 4.556 -0.000 0.000 0.315 276 H C -0.524 174.792 175.328 -0.021 0.000 0.992 276 H CA -0.240 55.700 56.048 -0.179 0.000 1.363 276 H CB 1.810 31.493 29.762 -0.131 0.000 1.532 276 H HN 0.607 nan 8.280 nan 0.000 0.514 277 T N 4.169 118.560 114.554 -0.272 0.000 2.853 277 T HA 0.266 4.616 4.350 -0.000 0.000 0.311 277 T C 0.470 175.227 174.700 0.094 0.000 1.307 277 T CA -0.691 61.350 62.100 -0.097 0.000 1.019 277 T CB 1.015 69.596 68.868 -0.479 0.000 1.264 277 T HN 0.490 nan 8.240 nan 0.000 0.497 278 L N 1.865 123.153 121.223 0.107 0.000 2.071 278 L HA 0.339 4.679 4.340 -0.000 0.000 0.201 278 L C 0.554 177.484 176.870 0.099 0.000 1.076 278 L CA 0.558 55.461 54.840 0.105 0.000 0.755 278 L CB -0.064 41.941 42.059 -0.090 0.000 0.915 278 L HN 0.367 nan 8.230 nan 0.000 0.445 279 V N -0.931 118.971 119.914 -0.019 0.000 2.459 279 V HA 0.349 4.469 4.120 -0.000 0.000 0.295 279 V C -1.207 174.929 176.094 0.070 0.000 1.029 279 V CA -0.514 61.709 62.300 -0.128 0.000 0.874 279 V CB 1.860 33.435 31.823 -0.414 0.000 0.985 279 V HN 0.296 nan 8.190 nan 0.000 0.438 280 W N 4.981 126.282 121.300 0.001 0.000 3.571 280 W HA 0.416 5.076 4.660 -0.000 0.000 0.294 280 W C 0.820 177.482 176.519 0.238 0.000 1.257 280 W CA -1.041 56.327 57.345 0.040 0.000 1.206 280 W CB 1.069 30.475 29.460 -0.090 0.000 1.325 280 W HN 0.794 nan 8.180 nan 0.000 0.546 281 H N 1.299 120.522 119.070 0.256 0.000 2.502 281 H HA 0.128 4.684 4.556 -0.000 0.000 0.283 281 H C 0.487 175.588 175.328 -0.379 0.000 1.015 281 H CA 1.112 57.207 56.048 0.079 0.000 1.298 281 H CB 0.183 29.997 29.762 0.086 0.000 1.411 281 H HN 0.125 nan 8.280 nan 0.000 0.556 282 S N -0.266 114.534 115.700 -1.500 0.000 2.718 282 S HA 0.165 4.635 4.470 -0.000 0.000 0.300 282 S C 0.250 174.173 174.600 -1.129 0.000 1.117 282 S CA -0.398 56.985 58.200 -1.363 0.000 1.002 282 S CB 1.571 63.717 63.200 -1.756 0.000 1.092 282 S HN 0.505 nan 8.310 nan 0.000 0.542 283 Q N -0.012 119.390 119.800 -0.664 0.000 2.437 283 Q HA -0.158 4.182 4.340 -0.000 0.000 0.274 283 Q C -0.809 175.128 176.000 -0.104 0.000 1.165 283 Q CA 1.143 56.785 55.803 -0.269 0.000 0.925 283 Q CB -1.659 27.006 28.738 -0.122 0.000 1.327 283 Q HN 0.666 nan 8.270 nan 0.000 0.505 284 T N 0.741 115.242 114.554 -0.088 0.000 2.823 284 T HA 0.533 4.883 4.350 -0.000 0.000 0.279 284 T C -2.378 172.341 174.700 0.032 0.000 0.998 284 T CA -1.315 60.770 62.100 -0.024 0.000 0.994 284 T CB 1.680 70.636 68.868 0.148 0.000 0.960 284 T HN -0.046 nan 8.240 nan 0.000 0.448 285 P HA 0.249 nan 4.420 nan 0.000 0.274 285 P C 0.640 177.875 177.300 -0.109 0.000 1.246 285 P CA -0.451 62.559 63.100 -0.151 0.000 0.795 285 P CB 0.760 32.180 31.700 -0.466 0.000 1.006 286 Q N 1.302 121.021 119.800 -0.134 0.000 2.083 286 Q HA -0.103 4.237 4.340 -0.000 0.000 0.198 286 Q C 1.738 177.652 176.000 -0.143 0.000 0.969 286 Q CA 1.261 56.894 55.803 -0.283 0.000 0.838 286 Q CB -0.388 27.868 28.738 -0.804 0.000 0.900 286 Q HN 0.664 nan 8.270 nan 0.000 0.436 287 W N -0.246 121.014 121.300 -0.067 0.000 2.321 287 W HA -0.251 4.409 4.660 -0.000 0.000 0.285 287 W C 1.253 177.715 176.519 -0.094 0.000 1.213 287 W CA 0.206 57.503 57.345 -0.080 0.000 1.205 287 W CB -1.052 28.411 29.460 0.004 0.000 1.134 287 W HN 0.189 nan 8.180 nan 0.000 0.549 288 F N 1.125 120.662 119.950 -0.688 0.000 2.494 288 F HA -0.041 4.485 4.527 -0.000 0.000 0.298 288 F C 1.221 176.532 175.800 -0.816 0.000 1.106 288 F CA 0.852 58.328 58.000 -0.873 0.000 1.452 288 F CB -0.637 37.549 39.000 -1.357 0.000 1.085 288 F HN -0.229 nan 8.300 nan 0.000 0.569 289 F N -0.579 119.111 119.950 -0.434 0.000 2.724 289 F HA 0.232 4.759 4.527 -0.000 0.000 0.306 289 F C 0.631 176.161 175.800 -0.450 0.000 1.100 289 F CA -0.326 57.399 58.000 -0.458 0.000 1.255 289 F CB -0.172 38.651 39.000 -0.295 0.000 1.072 289 F HN -0.441 nan 8.300 nan 0.000 0.589 290 K N 1.507 121.711 120.400 -0.327 0.000 2.172 290 K HA 0.122 4.442 4.320 -0.000 0.000 0.276 290 K C 0.544 176.911 176.600 -0.388 0.000 1.013 290 K CA -0.141 55.926 56.287 -0.367 0.000 0.913 290 K CB 0.955 33.243 32.500 -0.353 0.000 1.055 290 K HN 0.060 nan 8.250 nan 0.000 0.461 291 D N 0.878 121.102 120.400 -0.292 0.000 2.311 291 D HA -0.196 4.444 4.640 -0.000 0.000 0.212 291 D C 0.546 176.696 176.300 -0.251 0.000 0.972 291 D CA 1.140 54.983 54.000 -0.263 0.000 0.887 291 D CB -0.052 40.667 40.800 -0.136 0.000 0.915 291 D HN 0.563 nan 8.370 nan 0.000 0.497 292 N N -0.437 118.149 118.700 -0.190 0.000 2.238 292 N HA -0.010 4.730 4.740 -0.000 0.000 0.235 292 N C -0.287 175.308 175.510 0.142 0.000 1.209 292 N CA -0.712 52.342 53.050 0.006 0.000 0.879 292 N CB -0.953 37.531 38.487 -0.005 0.000 1.136 292 N HN 0.055 nan 8.380 nan 0.000 0.517 293 F N 0.150 120.105 119.950 0.007 0.000 3.067 293 F HA -0.229 4.298 4.527 -0.000 0.000 0.279 293 F C 0.014 175.804 175.800 -0.016 0.000 0.945 293 F CA 0.731 58.766 58.000 0.057 0.000 0.948 293 F CB -1.755 37.211 39.000 -0.056 0.000 0.898 293 F HN 0.207 nan 8.300 nan 0.000 0.746 294 Q N -0.180 119.673 119.800 0.089 0.000 2.375 294 Q HA 0.215 4.555 4.340 -0.000 0.000 0.271 294 Q C 0.904 176.920 176.000 0.027 0.000 1.074 294 Q CA -0.680 55.147 55.803 0.040 0.000 0.808 294 Q CB 1.794 30.521 28.738 -0.017 0.000 1.327 294 Q HN 0.046 nan 8.270 nan 0.000 0.441 295 D N 1.369 121.797 120.400 0.046 0.000 2.133 295 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 295 D C 1.196 177.385 176.300 -0.185 0.000 1.001 295 D CA 2.049 56.017 54.000 -0.054 0.000 0.844 295 D CB 0.115 40.889 40.800 -0.045 0.000 0.944 295 D HN 0.645 nan 8.370 nan 0.000 0.447 296 N N 0.095 118.712 118.700 -0.138 0.000 2.412 296 N HA 0.073 4.813 4.740 -0.000 0.000 0.184 296 N C 1.171 176.572 175.510 -0.181 0.000 1.101 296 N CA 0.460 53.414 53.050 -0.159 0.000 0.881 296 N CB -0.216 38.213 38.487 -0.097 0.000 0.969 296 N HN 0.031 nan 8.380 nan 0.000 0.459 297 G N 0.031 108.722 108.800 -0.182 0.000 2.518 297 G HA2 0.003 3.963 3.960 -0.000 0.000 0.284 297 G HA3 0.003 3.963 3.960 -0.000 0.000 0.284 297 G C -0.303 174.437 174.900 -0.268 0.000 1.362 297 G CA -0.552 44.438 45.100 -0.185 0.000 1.065 297 G HN 0.398 nan 8.290 nan 0.000 0.561 298 N N -1.269 117.301 118.700 -0.216 0.000 2.493 298 N HA 0.234 4.973 4.740 -0.000 0.000 0.275 298 N C -0.686 174.652 175.510 -0.287 0.000 1.186 298 N CA -0.512 52.413 53.050 -0.208 0.000 0.978 298 N CB 0.929 39.374 38.487 -0.070 0.000 1.184 298 N HN 0.517 nan 8.380 nan 0.000 0.487 299 W N 1.121 122.364 121.300 -0.094 0.000 2.193 299 W HA 0.214 4.874 4.660 -0.000 0.000 0.338 299 W C 0.659 177.106 176.519 -0.120 0.000 1.310 299 W CA -0.707 56.573 57.345 -0.109 0.000 1.243 299 W CB 0.075 29.468 29.460 -0.112 0.000 1.165 299 W HN 0.103 nan 8.180 nan 0.000 0.566 300 V N 0.911 120.882 119.914 0.095 0.000 3.109 300 V HA 0.570 4.690 4.120 -0.000 0.000 0.317 300 V C 0.483 176.555 176.094 -0.037 0.000 1.074 300 V CA -1.066 61.219 62.300 -0.025 0.000 1.033 300 V CB 1.219 32.966 31.823 -0.126 0.000 1.111 300 V HN 0.564 nan 8.190 nan 0.000 0.458 301 S N 0.803 116.470 115.700 -0.055 0.000 2.580 301 S HA 0.083 4.553 4.470 -0.000 0.000 0.266 301 S C 0.975 175.501 174.600 -0.123 0.000 1.354 301 S CA 0.577 58.738 58.200 -0.065 0.000 1.008 301 S CB 0.599 63.779 63.200 -0.034 0.000 0.898 301 S HN 0.898 nan 8.310 nan 0.000 0.555 302 Q N 1.230 120.939 119.800 -0.151 0.000 2.291 302 Q HA -0.059 4.280 4.340 -0.000 0.000 0.205 302 Q C 2.254 178.245 176.000 -0.015 0.000 0.970 302 Q CA 1.353 57.030 55.803 -0.210 0.000 0.876 302 Q CB -0.152 28.486 28.738 -0.168 0.000 0.935 302 Q HN 0.707 nan 8.270 nan 0.000 0.455 303 S N 0.089 115.798 115.700 0.016 0.000 2.345 303 S HA -0.050 4.420 4.470 -0.000 0.000 0.219 303 S C 1.268 175.902 174.600 0.057 0.000 1.031 303 S CA 0.264 58.503 58.200 0.064 0.000 0.984 303 S CB -0.058 63.173 63.200 0.052 0.000 0.874 303 S HN 0.092 nan 8.310 nan 0.000 0.451 307 Q N 0.903 120.795 119.800 0.154 0.000 2.016 307 Q HA 0.051 4.391 4.340 -0.000 0.000 0.200 307 Q C 1.846 177.910 176.000 0.107 0.000 0.978 307 Q CA 1.128 56.985 55.803 0.091 0.000 0.833 307 Q CB 0.111 28.898 28.738 0.082 0.000 0.895 307 Q HN 0.186 nan 8.270 nan 0.000 0.427 308 R N 0.201 120.762 120.500 0.101 0.000 2.193 308 R HA -0.144 4.196 4.340 -0.000 0.000 0.229 308 R C 2.159 178.635 176.300 0.293 0.000 1.110 308 R CA 0.801 56.981 56.100 0.134 0.000 0.988 308 R CB -0.306 29.901 30.300 -0.154 0.000 0.871 308 R HN 0.189 nan 8.270 nan 0.000 0.458 309 L N 1.027 122.436 121.223 0.310 0.000 2.022 309 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 309 L C 2.272 179.324 176.870 0.303 0.000 1.076 309 L CA 1.703 56.830 54.840 0.479 0.000 0.749 309 L CB -0.607 41.827 42.059 0.625 0.000 0.903 309 L HN 0.058 nan 8.230 nan 0.000 0.439 310 E N -0.639 119.511 120.200 -0.083 0.000 2.082 310 E HA -0.364 3.986 4.350 -0.000 0.000 0.215 310 E C 2.251 178.828 176.600 -0.039 0.000 1.048 310 E CA 2.285 58.456 56.400 -0.383 0.000 0.869 310 E CB -0.488 28.781 29.700 -0.719 0.000 0.773 310 E HN 0.568 nan 8.360 nan 0.000 0.466 311 S N -1.033 114.677 115.700 0.016 0.000 2.380 311 S HA -0.296 4.174 4.470 -0.000 0.000 0.229 311 S C 1.900 176.547 174.600 0.078 0.000 1.050 311 S CA 1.932 60.157 58.200 0.043 0.000 1.100 311 S CB -0.709 62.561 63.200 0.115 0.000 0.984 311 S HN 0.570 nan 8.310 nan 0.000 0.434 312 Y N 1.231 121.592 120.300 0.103 0.000 2.224 312 Y HA -0.014 4.536 4.550 -0.000 0.000 0.289 312 Y C 1.941 177.824 175.900 -0.028 0.000 1.146 312 Y CA 1.630 59.773 58.100 0.071 0.000 1.182 312 Y CB -0.379 38.170 38.460 0.149 0.000 0.983 312 Y HN 0.338 nan 8.280 nan 0.000 0.524 313 I N 0.354 120.905 120.570 -0.031 0.000 2.163 313 I HA -0.310 3.860 4.170 -0.000 0.000 0.240 313 I C 2.574 178.564 176.117 -0.213 0.000 1.081 313 I CA 1.825 63.033 61.300 -0.154 0.000 1.353 313 I CB -0.465 37.636 38.000 0.169 0.000 1.054 313 I HN 0.124 nan 8.210 nan 0.000 0.407 314 K N 0.901 121.155 120.400 -0.244 0.000 2.034 314 K HA -0.193 4.127 4.320 -0.000 0.000 0.214 314 K C 0.927 177.330 176.600 -0.328 0.000 1.051 314 K CA 1.425 57.360 56.287 -0.586 0.000 0.931 314 K CB -0.036 31.924 32.500 -0.901 0.000 0.715 314 K HN 0.234 nan 8.250 nan 0.000 0.446 318 A N 0.694 123.573 122.820 0.100 0.000 1.896 318 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 318 A C 1.983 179.580 177.584 0.021 0.000 1.206 318 A CA 2.470 54.530 52.037 0.039 0.000 0.647 318 A CB -0.691 18.296 19.000 -0.023 0.000 0.828 318 A HN 0.408 nan 8.150 nan 0.000 0.455 319 E N -0.320 119.870 120.200 -0.016 0.000 2.204 319 E HA -0.115 4.234 4.350 -0.000 0.000 0.195 319 E C 1.974 178.570 176.600 -0.006 0.000 0.990 319 E CA 0.885 57.267 56.400 -0.030 0.000 0.821 319 E CB -0.352 29.324 29.700 -0.041 0.000 0.750 319 E HN 0.779 nan 8.360 nan 0.000 0.477 320 I N 0.453 121.055 120.570 0.053 0.000 2.193 320 I HA -0.267 3.902 4.170 -0.000 0.000 0.240 320 I C 2.611 178.805 176.117 0.129 0.000 1.084 320 I CA 0.850 62.221 61.300 0.120 0.000 1.365 320 I CB -0.295 37.803 38.000 0.164 0.000 1.064 320 I HN 0.073 nan 8.210 nan 0.000 0.410 321 Q N 1.550 121.424 119.800 0.123 0.000 2.045 321 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 321 Q C 2.271 178.302 176.000 0.052 0.000 0.991 321 Q CA 1.941 57.803 55.803 0.099 0.000 0.851 321 Q CB -0.370 28.427 28.738 0.099 0.000 0.911 321 Q HN 0.214 nan 8.270 nan 0.000 0.418 322 R N -0.828 119.680 120.500 0.013 0.000 2.103 322 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 322 R C 2.078 178.271 176.300 -0.178 0.000 1.142 322 R CA 2.124 58.202 56.100 -0.037 0.000 0.960 322 R CB 0.030 30.296 30.300 -0.058 0.000 0.858 322 R HN 0.469 nan 8.270 nan 0.000 0.439 323 Q N -2.318 117.302 119.800 -0.301 0.000 2.423 323 Q HA 0.017 4.357 4.340 -0.000 0.000 0.231 323 Q C -0.182 175.481 176.000 -0.563 0.000 0.894 323 Q CA 0.530 55.894 55.803 -0.732 0.000 0.938 323 Q CB 0.824 29.087 28.738 -0.791 0.000 1.079 323 Q HN 0.341 nan 8.270 nan 0.000 0.552 324 Y N 0.315 120.601 120.300 -0.024 0.000 2.477 324 Y HA 0.249 4.799 4.550 -0.000 0.000 0.340 324 Y C -1.917 174.020 175.900 0.062 0.000 0.987 324 Y CA -1.836 56.296 58.100 0.053 0.000 1.127 324 Y CB 1.149 39.642 38.460 0.056 0.000 1.139 324 Y HN 0.071 nan 8.280 nan 0.000 0.637 325 P HA -0.150 nan 4.420 nan 0.000 0.225 325 P C 1.424 178.791 177.300 0.112 0.000 1.148 325 P CA 1.468 64.634 63.100 0.109 0.000 0.779 325 P CB 0.283 32.030 31.700 0.077 0.000 0.780 326 S N -1.660 114.112 115.700 0.120 0.000 2.593 326 S HA 0.048 4.518 4.470 -0.000 0.000 0.217 326 S C 0.694 175.361 174.600 0.111 0.000 0.966 326 S CA -0.396 57.863 58.200 0.099 0.000 0.914 326 S CB -1.081 62.166 63.200 0.078 0.000 0.776 326 S HN 0.008 nan 8.310 nan 0.000 0.523 327 L N 2.984 124.297 121.223 0.150 0.000 2.380 327 L HA 0.468 4.808 4.340 -0.000 0.000 0.273 327 L C -0.067 176.879 176.870 0.127 0.000 1.138 327 L CA -0.162 54.760 54.840 0.137 0.000 0.832 327 L CB 0.566 42.719 42.059 0.156 0.000 1.124 327 L HN 0.117 nan 8.230 nan 0.000 0.454 328 N N 4.470 123.237 118.700 0.112 0.000 2.663 328 N HA 0.094 4.834 4.740 -0.000 0.000 0.250 328 N C -0.856 174.778 175.510 0.206 0.000 1.129 328 N CA -0.261 52.869 53.050 0.133 0.000 0.995 328 N CB -0.141 38.398 38.487 0.087 0.000 1.324 328 N HN 0.598 nan 8.380 nan 0.000 0.512 329 L N 5.092 126.438 121.223 0.206 0.000 2.462 329 L HA 0.143 4.483 4.340 -0.000 0.000 0.283 329 L C 0.442 177.468 176.870 0.260 0.000 1.166 329 L CA -0.071 54.900 54.840 0.219 0.000 0.964 329 L CB -0.524 41.673 42.059 0.230 0.000 1.294 329 L HN 0.532 nan 8.230 nan 0.000 0.449 330 Y N 2.748 123.105 120.300 0.095 0.000 2.482 330 Y HA 0.736 5.286 4.550 -0.000 0.000 0.270 330 Y C 0.465 176.457 175.900 0.153 0.000 1.152 330 Y CA -0.095 58.072 58.100 0.111 0.000 1.292 330 Y CB 0.012 38.526 38.460 0.090 0.000 1.070 330 Y HN 0.477 nan 8.280 nan 0.000 0.528 331 A N -0.141 122.521 122.820 -0.263 0.000 2.594 331 A HA 0.592 4.912 4.320 -0.000 0.000 0.296 331 A C -2.361 175.214 177.584 -0.014 0.000 1.061 331 A CA -0.634 51.322 52.037 -0.134 0.000 0.689 331 A CB 0.677 19.441 19.000 -0.394 0.000 1.280 331 A HN 0.333 nan 8.150 nan 0.000 0.406 332 Y N 0.788 121.146 120.300 0.097 0.000 2.425 332 Y HA 0.377 4.927 4.550 -0.000 0.000 0.344 332 Y C -0.584 175.365 175.900 0.081 0.000 0.969 332 Y CA -0.578 57.572 58.100 0.084 0.000 1.052 332 Y CB 1.998 40.563 38.460 0.175 0.000 1.215 332 Y HN 0.693 nan 8.280 nan 0.000 0.451 333 D N 4.529 125.083 120.400 0.255 0.000 2.398 333 D HA 0.043 4.683 4.640 -0.000 0.000 0.250 333 D C 0.957 177.337 176.300 0.134 0.000 1.287 333 D CA 0.459 54.561 54.000 0.170 0.000 0.992 333 D CB 1.164 42.043 40.800 0.132 0.000 1.071 333 D HN 0.388 nan 8.370 nan 0.000 0.514 334 V N 1.992 121.894 119.914 -0.019 0.000 2.307 334 V HA -0.120 4.000 4.120 -0.000 0.000 0.245 334 V C 1.127 177.071 176.094 -0.251 0.000 1.045 334 V CA 1.029 63.139 62.300 -0.316 0.000 1.024 334 V CB 0.085 31.281 31.823 -1.044 0.000 0.651 334 V HN 0.256 nan 8.190 nan 0.000 0.449 335 V N 0.118 119.948 119.914 -0.139 0.000 2.769 335 V HA 0.503 4.623 4.120 -0.000 0.000 0.312 335 V C -0.803 175.184 176.094 -0.179 0.000 1.061 335 V CA -0.781 61.503 62.300 -0.027 0.000 0.931 335 V CB 1.983 33.934 31.823 0.213 0.000 1.010 335 V HN 0.377 nan 8.190 nan 0.000 0.433 336 N N 1.961 120.589 118.700 -0.121 0.000 2.342 336 N HA 0.635 5.374 4.740 -0.000 0.000 0.293 336 N C 0.138 175.656 175.510 0.013 0.000 1.026 336 N CA 0.329 53.229 53.050 -0.250 0.000 0.857 336 N CB 1.648 39.799 38.487 -0.561 0.000 1.256 336 N HN 1.106 nan 8.380 nan 0.000 0.484 337 A N 1.968 124.774 122.820 -0.022 0.000 2.511 337 A HA -0.154 4.166 4.320 -0.000 0.000 0.297 337 A C 0.820 178.705 177.584 0.502 0.000 1.476 337 A CA 1.323 53.563 52.037 0.339 0.000 0.757 337 A CB -1.772 17.607 19.000 0.633 0.000 1.072 337 A HN 0.791 nan 8.150 nan 0.000 0.413 338 A N -0.742 122.348 122.820 0.450 0.000 2.423 338 A HA 0.548 4.868 4.320 -0.000 0.000 0.246 338 A C 0.485 178.244 177.584 0.292 0.000 1.278 338 A CA 0.653 52.963 52.037 0.454 0.000 0.903 338 A CB 0.312 19.591 19.000 0.465 0.000 0.997 338 A HN 1.105 nan 8.150 nan 0.000 0.510 339 V N 0.660 120.714 119.914 0.234 0.000 2.435 339 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 339 V C 0.642 176.762 176.094 0.042 0.000 1.030 339 V CA -0.553 61.796 62.300 0.082 0.000 0.881 339 V CB 1.648 33.469 31.823 -0.002 0.000 0.983 339 V HN 0.387 nan 8.190 nan 0.000 0.445 340 S N 2.818 118.536 115.700 0.030 0.000 2.549 340 S HA 0.036 4.506 4.470 -0.000 0.000 0.283 340 S C 1.061 175.670 174.600 0.016 0.000 1.320 340 S CA -0.425 57.796 58.200 0.035 0.000 1.058 340 S CB 0.451 63.673 63.200 0.037 0.000 0.882 340 S HN 0.776 nan 8.310 nan 0.000 0.498 341 D N 1.907 122.353 120.400 0.076 0.000 2.218 341 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 341 D C 0.310 176.721 176.300 0.185 0.000 0.976 341 D CA 1.007 55.099 54.000 0.154 0.000 0.853 341 D CB -0.158 40.851 40.800 0.348 0.000 0.939 341 D HN 0.716 nan 8.370 nan 0.000 0.481 342 D N -0.236 120.243 120.400 0.131 0.000 2.317 342 D HA 0.228 4.868 4.640 -0.000 0.000 0.252 342 D C 0.939 177.236 176.300 -0.005 0.000 1.174 342 D CA -0.308 53.735 54.000 0.071 0.000 0.866 342 D CB 1.410 42.249 40.800 0.065 0.000 1.127 342 D HN -0.087 nan 8.370 nan 0.000 0.467 343 A N 4.678 127.346 122.820 -0.254 0.000 2.019 343 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 343 A C 1.898 179.405 177.584 -0.129 0.000 1.164 343 A CA 1.022 52.809 52.037 -0.417 0.000 0.644 343 A CB -0.387 18.194 19.000 -0.698 0.000 0.805 343 A HN 0.656 nan 8.150 nan 0.000 0.449 344 N N -0.353 118.359 118.700 0.019 0.000 2.142 344 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 344 N C 1.794 177.491 175.510 0.311 0.000 1.023 344 N CA 0.866 54.053 53.050 0.229 0.000 0.852 344 N CB -0.333 38.332 38.487 0.296 0.000 0.998 344 N HN 0.262 nan 8.380 nan 0.000 0.424 345 R N 0.309 120.934 120.500 0.207 0.000 2.081 345 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 345 R C 2.100 178.509 176.300 0.183 0.000 1.131 345 R CA 0.929 57.167 56.100 0.230 0.000 0.960 345 R CB -1.355 28.986 30.300 0.068 0.000 0.856 345 R HN 0.202 nan 8.270 nan 0.000 0.436 346 T N 0.240 114.838 114.554 0.074 0.000 2.904 346 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 346 T C 1.871 176.529 174.700 -0.071 0.000 1.059 346 T CA 1.230 63.339 62.100 0.016 0.000 1.137 346 T CB 0.112 69.025 68.868 0.075 0.000 0.879 346 T HN 0.219 nan 8.240 nan 0.000 0.467 347 R N -1.319 119.073 120.500 -0.180 0.000 2.128 347 R HA 0.104 4.443 4.340 -0.000 0.000 0.211 347 R C 1.359 177.343 176.300 -0.527 0.000 1.067 347 R CA 0.967 56.795 56.100 -0.454 0.000 1.010 347 R CB 0.111 29.944 30.300 -0.778 0.000 0.922 347 R HN 0.449 nan 8.270 nan 0.000 0.457 348 Y N -2.671 117.611 120.300 -0.030 0.000 2.444 348 Y HA 0.186 4.735 4.550 -0.000 0.000 0.252 348 Y C 0.321 175.992 175.900 -0.382 0.000 1.091 348 Y CA -0.195 57.769 58.100 -0.227 0.000 1.276 348 Y CB 0.770 39.035 38.460 -0.325 0.000 1.170 348 Y HN -0.011 nan 8.280 nan 0.000 0.517 349 Y N -0.642 119.714 120.300 0.094 0.000 2.682 349 Y HA 0.424 4.974 4.550 -0.000 0.000 0.251 349 Y C 1.509 177.423 175.900 0.022 0.000 1.172 349 Y CA -0.211 57.927 58.100 0.063 0.000 1.186 349 Y CB 1.025 39.526 38.460 0.069 0.000 1.216 349 Y HN 0.122 nan 8.280 nan 0.000 0.540 350 G N 0.213 109.066 108.800 0.090 0.000 2.166 350 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.260 350 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.260 350 G C 1.269 176.178 174.900 0.016 0.000 0.986 350 G CA 0.536 45.651 45.100 0.024 0.000 0.683 350 G HN 1.186 nan 8.290 nan 0.000 0.527 351 G N -1.366 107.465 108.800 0.051 0.000 2.234 351 G HA2 0.206 4.166 3.960 -0.000 0.000 0.235 351 G HA3 0.206 4.166 3.960 -0.000 0.000 0.235 351 G C 0.997 175.930 174.900 0.054 0.000 0.997 351 G CA 1.094 46.206 45.100 0.020 0.000 0.623 351 G HN 2.299 nan 8.290 nan 0.000 0.514 352 A N 1.049 123.923 122.820 0.090 0.000 2.566 352 A HA 0.519 4.839 4.320 -0.000 0.000 0.245 352 A C 0.981 178.611 177.584 0.077 0.000 1.056 352 A CA 0.953 53.060 52.037 0.118 0.000 0.757 352 A CB -0.007 19.085 19.000 0.153 0.000 0.979 352 A HN 0.661 nan 8.150 nan 0.000 0.508 353 R N 1.261 121.813 120.500 0.087 0.000 2.905 353 R HA 0.083 4.423 4.340 -0.000 0.000 0.273 353 R C 0.112 176.389 176.300 -0.039 0.000 1.033 353 R CA 0.230 56.337 56.100 0.012 0.000 1.182 353 R CB 0.317 30.612 30.300 -0.008 0.000 1.097 353 R HN 0.830 nan 8.270 nan 0.000 0.504 354 E N 2.047 122.191 120.200 -0.093 0.000 2.338 354 E HA 0.104 4.454 4.350 -0.000 0.000 0.272 354 E C -2.133 174.401 176.600 -0.110 0.000 1.029 354 E CA -1.731 54.591 56.400 -0.129 0.000 0.872 354 E CB 0.722 30.340 29.700 -0.137 0.000 1.015 354 E HN 0.288 nan 8.360 nan 0.000 0.417 355 P HA 0.012 nan 4.420 nan 0.000 0.267 355 P C 0.030 177.215 177.300 -0.193 0.000 1.201 355 P CA 0.531 63.528 63.100 -0.173 0.000 0.775 355 P CB 0.609 32.191 31.700 -0.198 0.000 0.854 356 G N 0.761 109.402 108.800 -0.265 0.000 2.316 356 G HA2 0.080 4.040 3.960 -0.000 0.000 0.349 356 G HA3 0.080 4.040 3.960 -0.000 0.000 0.349 356 G C -2.290 172.596 174.900 -0.024 0.000 1.274 356 G CA -0.775 44.228 45.100 -0.162 0.000 1.018 356 G HN 0.486 nan 8.290 nan 0.000 0.486 357 Y N 1.050 121.339 120.300 -0.019 0.000 2.331 357 Y HA 0.595 5.145 4.550 -0.000 0.000 0.326 357 Y C 0.374 176.274 175.900 -0.000 0.000 1.020 357 Y CA 1.168 59.270 58.100 0.003 0.000 1.136 357 Y CB 1.406 39.928 38.460 0.104 0.000 1.157 357 Y HN 2.531 nan 8.280 nan 0.000 0.444 358 G N 4.735 113.294 108.800 -0.402 0.000 2.587 358 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 358 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 358 G C -0.708 174.127 174.900 -0.108 0.000 1.236 358 G CA -0.626 44.324 45.100 -0.250 0.000 0.820 358 G HN 1.458 nan 8.290 nan 0.000 0.645 359 N N -0.708 117.952 118.700 -0.068 0.000 2.689 359 N HA -0.089 4.651 4.740 -0.000 0.000 0.263 359 N C 1.479 176.972 175.510 -0.029 0.000 0.987 359 N CA 1.958 54.994 53.050 -0.024 0.000 0.782 359 N CB -1.098 37.388 38.487 -0.002 0.000 0.903 359 N HN 2.837 nan 8.380 nan 0.000 0.547 360 G N -0.789 107.989 108.800 -0.037 0.000 2.199 360 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.254 360 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.254 360 G C 0.196 174.972 174.900 -0.205 0.000 0.982 360 G CA 0.549 45.588 45.100 -0.102 0.000 0.632 360 G HN 0.651 nan 8.290 nan 0.000 0.529 361 R N 0.523 120.936 120.500 -0.144 0.000 2.500 361 R HA 0.600 4.940 4.340 -0.000 0.000 0.275 361 R C 0.229 176.443 176.300 -0.144 0.000 1.051 361 R CA 0.377 56.394 56.100 -0.139 0.000 1.088 361 R CB 1.439 31.682 30.300 -0.094 0.000 1.063 361 R HN 0.342 nan 8.270 nan 0.000 0.511 362 S N 2.315 117.951 115.700 -0.107 0.000 2.498 362 S HA 0.327 4.797 4.470 -0.000 0.000 0.317 362 S C -1.905 172.590 174.600 -0.175 0.000 1.090 362 S CA -1.819 56.360 58.200 -0.035 0.000 1.089 362 S CB 1.488 64.766 63.200 0.130 0.000 0.997 362 S HN 0.377 nan 8.310 nan 0.000 0.470 363 P HA -0.001 nan 4.420 nan 0.000 0.219 363 P C 0.752 177.605 177.300 -0.746 0.000 1.150 363 P CA 0.887 63.528 63.100 -0.764 0.000 0.814 363 P CB -0.106 30.641 31.700 -1.588 0.000 0.787 364 W N 0.065 121.160 121.300 -0.342 0.000 2.318 364 W HA -0.149 4.511 4.660 -0.000 0.000 0.313 364 W C 2.402 178.797 176.519 -0.206 0.000 1.221 364 W CA 0.646 57.731 57.345 -0.433 0.000 1.266 364 W CB -1.576 27.135 29.460 -1.249 0.000 1.150 364 W HN -0.240 nan 8.180 nan 0.000 0.496 365 V N -0.072 119.897 119.914 0.091 0.000 2.379 365 V HA -0.298 3.822 4.120 -0.000 0.000 0.245 365 V C 2.250 178.348 176.094 0.006 0.000 1.044 365 V CA 2.067 64.481 62.300 0.189 0.000 1.036 365 V CB -1.052 30.873 31.823 0.171 0.000 0.664 365 V HN 0.157 nan 8.190 nan 0.000 0.453 366 Q N 0.392 120.069 119.800 -0.205 0.000 2.173 366 Q HA -0.231 4.109 4.340 -0.000 0.000 0.208 366 Q C 1.853 177.623 176.000 -0.384 0.000 0.989 366 Q CA 2.296 57.833 55.803 -0.442 0.000 0.872 366 Q CB -0.231 27.983 28.738 -0.873 0.000 0.909 366 Q HN 0.572 nan 8.270 nan 0.000 0.420 367 I N -1.520 118.912 120.570 -0.231 0.000 2.731 367 I HA -0.091 4.078 4.170 -0.000 0.000 0.260 367 I C 1.114 177.107 176.117 -0.206 0.000 1.138 367 I CA 0.801 61.970 61.300 -0.218 0.000 1.461 367 I CB -0.407 37.457 38.000 -0.226 0.000 1.128 367 I HN 0.201 nan 8.210 nan 0.000 0.438 368 Y N 0.894 121.228 120.300 0.058 0.000 2.478 368 Y HA 0.275 4.824 4.550 -0.000 0.000 0.261 368 Y C 2.019 178.006 175.900 0.144 0.000 1.127 368 Y CA 0.715 58.913 58.100 0.163 0.000 1.288 368 Y CB 0.384 39.047 38.460 0.339 0.000 1.084 368 Y HN 0.310 nan 8.280 nan 0.000 0.530 369 G N 0.336 109.260 108.800 0.206 0.000 2.640 369 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.226 369 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.226 369 G C 0.304 175.320 174.900 0.192 0.000 1.222 369 G CA 0.820 46.011 45.100 0.153 0.000 0.729 369 G HN 0.437 nan 8.290 nan 0.000 0.516 370 D N -1.123 119.436 120.400 0.265 0.000 3.798 370 D HA 0.362 5.002 4.640 -0.000 0.000 0.296 370 D C 0.273 176.754 176.300 0.301 0.000 1.489 370 D CA -0.290 53.850 54.000 0.234 0.000 0.988 370 D CB -0.542 40.353 40.800 0.157 0.000 1.360 370 D HN -0.028 nan 8.370 nan 0.000 0.641 371 N N -0.647 118.116 118.700 0.105 0.000 2.279 371 N HA 0.084 4.824 4.740 -0.000 0.000 0.226 371 N C 0.975 176.299 175.510 -0.310 0.000 1.126 371 N CA 0.006 52.936 53.050 -0.199 0.000 0.846 371 N CB 0.229 38.559 38.487 -0.261 0.000 1.050 371 N HN 0.472 nan 8.380 nan 0.000 0.502 372 K N 0.377 120.767 120.400 -0.016 0.000 2.152 372 K HA -0.183 4.136 4.320 -0.000 0.000 0.206 372 K C 1.557 178.103 176.600 -0.089 0.000 1.048 372 K CA 1.166 57.448 56.287 -0.008 0.000 0.933 372 K CB -0.784 31.798 32.500 0.137 0.000 0.721 372 K HN 0.286 nan 8.250 nan 0.000 0.447 373 F N 0.824 120.646 119.950 -0.214 0.000 2.449 373 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 373 F C 1.586 177.276 175.800 -0.183 0.000 1.092 373 F CA 0.404 58.168 58.000 -0.392 0.000 1.446 373 F CB -0.424 38.185 39.000 -0.651 0.000 1.084 373 F HN -0.131 nan 8.300 nan 0.000 0.567 374 I N 1.046 121.255 120.570 -0.602 0.000 2.162 374 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 374 I C 2.708 178.804 176.117 -0.035 0.000 1.076 374 I CA 1.802 62.922 61.300 -0.300 0.000 1.353 374 I CB -0.632 37.162 38.000 -0.344 0.000 1.063 374 I HN 0.211 nan 8.210 nan 0.000 0.408 375 E N 1.481 121.611 120.200 -0.117 0.000 2.147 375 E HA -0.288 4.062 4.350 -0.000 0.000 0.199 375 E C 2.067 178.623 176.600 -0.072 0.000 1.005 375 E CA 1.667 58.022 56.400 -0.075 0.000 0.810 375 E CB 0.078 29.716 29.700 -0.104 0.000 0.736 375 E HN 0.370 nan 8.360 nan 0.000 0.460 376 K N 0.012 120.337 120.400 -0.125 0.000 1.984 376 K HA -0.099 4.220 4.320 -0.000 0.000 0.209 376 K C 2.344 178.723 176.600 -0.370 0.000 1.046 376 K CA 1.062 57.176 56.287 -0.287 0.000 0.934 376 K CB -0.314 32.093 32.500 -0.156 0.000 0.717 376 K HN 0.179 nan 8.250 nan 0.000 0.438 377 A N 1.144 123.907 122.820 -0.095 0.000 1.948 377 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 377 A C 2.032 179.581 177.584 -0.059 0.000 1.177 377 A CA 1.531 53.555 52.037 -0.022 0.000 0.636 377 A CB -0.828 18.157 19.000 -0.025 0.000 0.815 377 A HN 0.235 nan 8.150 nan 0.000 0.449 378 F N -0.047 119.850 119.950 -0.087 0.000 2.163 378 F HA -0.098 4.429 4.527 -0.000 0.000 0.297 378 F C 2.794 178.552 175.800 -0.070 0.000 1.094 378 F CA 1.719 59.691 58.000 -0.047 0.000 1.290 378 F CB -0.665 38.305 39.000 -0.050 0.000 1.017 378 F HN 0.130 nan 8.300 nan 0.000 0.483 379 T N -0.559 113.998 114.554 0.005 0.000 2.665 379 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 379 T C 1.633 176.329 174.700 -0.008 0.000 1.035 379 T CA 1.838 63.896 62.100 -0.070 0.000 1.151 379 T CB -0.568 68.188 68.868 -0.186 0.000 0.862 379 T HN 0.144 nan 8.240 nan 0.000 0.438 380 Y N 1.338 121.682 120.300 0.073 0.000 2.224 380 Y HA 0.068 4.618 4.550 -0.000 0.000 0.289 380 Y C 2.680 178.631 175.900 0.084 0.000 1.146 380 Y CA 0.028 58.180 58.100 0.087 0.000 1.182 380 Y CB -1.291 37.293 38.460 0.207 0.000 0.983 380 Y HN 0.228 nan 8.280 nan 0.000 0.524 381 A N -0.139 122.811 122.820 0.217 0.000 1.968 381 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 381 A C 2.232 179.829 177.584 0.022 0.000 1.169 381 A CA 1.407 53.557 52.037 0.188 0.000 0.638 381 A CB -0.485 18.562 19.000 0.077 0.000 0.812 381 A HN 0.262 nan 8.150 nan 0.000 0.446 382 R N 0.248 120.754 120.500 0.011 0.000 2.285 382 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 382 R C 1.838 178.078 176.300 -0.099 0.000 1.068 382 R CA 1.589 57.670 56.100 -0.031 0.000 1.004 382 R CB -0.373 29.934 30.300 0.012 0.000 0.873 382 R HN 0.548 nan 8.270 nan 0.000 0.467 383 K N -1.382 118.922 120.400 -0.160 0.000 2.211 383 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 383 K C 0.236 176.574 176.600 -0.436 0.000 1.052 383 K CA 0.831 56.904 56.287 -0.356 0.000 0.973 383 K CB 0.275 32.441 32.500 -0.556 0.000 0.766 383 K HN 0.209 nan 8.250 nan 0.000 0.466 384 Y N -0.416 119.869 120.300 -0.025 0.000 2.557 384 Y HA 0.399 4.949 4.550 -0.000 0.000 0.247 384 Y C 0.236 175.893 175.900 -0.405 0.000 1.164 384 Y CA -0.639 57.418 58.100 -0.071 0.000 1.218 384 Y CB 0.715 39.243 38.460 0.113 0.000 1.210 384 Y HN -0.048 nan 8.280 nan 0.000 0.529 385 A N 0.756 123.246 122.820 -0.549 0.000 2.295 385 A HA 0.623 4.943 4.320 -0.000 0.000 0.318 385 A C -2.398 174.943 177.584 -0.406 0.000 1.134 385 A CA -1.702 49.702 52.037 -1.056 0.000 0.827 385 A CB -0.018 18.313 19.000 -1.115 0.000 1.136 385 A HN -0.061 nan 8.150 nan 0.000 0.493 386 P HA 0.093 nan 4.420 nan 0.000 0.260 386 P C 0.966 178.227 177.300 -0.064 0.000 1.185 386 P CA 0.932 63.981 63.100 -0.085 0.000 0.763 386 P CB 0.652 32.350 31.700 -0.003 0.000 0.776 387 A N 4.971 127.771 122.820 -0.035 0.000 1.971 387 A HA -0.278 4.042 4.320 -0.000 0.000 0.222 387 A C 1.880 179.477 177.584 0.021 0.000 1.182 387 A CA 2.178 54.207 52.037 -0.012 0.000 0.649 387 A CB -1.023 17.977 19.000 -0.001 0.000 0.818 387 A HN 0.714 nan 8.150 nan 0.000 0.458 388 N N -0.535 118.191 118.700 0.042 0.000 2.521 388 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 388 N C 0.412 175.992 175.510 0.117 0.000 1.146 388 N CA 0.864 53.962 53.050 0.080 0.000 0.893 388 N CB -0.701 37.838 38.487 0.086 0.000 0.975 388 N HN 0.450 nan 8.380 nan 0.000 0.451 389 C N 2.848 122.201 119.300 0.089 0.000 2.281 389 C HA 0.384 4.844 4.460 -0.000 0.000 0.336 389 C C -0.093 174.974 174.990 0.128 0.000 1.217 389 C CA -0.977 58.118 59.018 0.129 0.000 1.730 389 C CB -0.568 27.243 27.740 0.119 0.000 2.338 389 C HN 0.115 nan 8.230 nan 0.000 0.521 390 K N 6.385 126.893 120.400 0.179 0.000 2.258 390 K HA 0.384 4.703 4.320 -0.000 0.000 0.284 390 K C -0.237 176.498 176.600 0.225 0.000 1.051 390 K CA -0.018 56.377 56.287 0.181 0.000 0.923 390 K CB 0.971 33.627 32.500 0.261 0.000 1.046 390 K HN 0.746 nan 8.250 nan 0.000 0.474 391 L N 4.128 125.424 121.223 0.122 0.000 2.319 391 L HA 0.267 4.607 4.340 -0.000 0.000 0.280 391 L C -0.316 176.609 176.870 0.092 0.000 1.099 391 L CA -0.534 54.413 54.840 0.178 0.000 0.828 391 L CB 0.043 42.226 42.059 0.207 0.000 1.150 391 L HN 0.416 nan 8.230 nan 0.000 0.442 392 Y N 1.737 122.179 120.300 0.237 0.000 2.393 392 Y HA 0.286 4.836 4.550 -0.000 0.000 0.341 392 Y C -0.264 175.857 175.900 0.369 0.000 0.988 392 Y CA -0.501 57.737 58.100 0.229 0.000 1.078 392 Y CB 1.857 40.351 38.460 0.058 0.000 1.203 392 Y HN 0.347 nan 8.280 nan 0.000 0.453 393 Y N 3.572 124.083 120.300 0.352 0.000 2.336 393 Y HA 0.319 4.868 4.550 -0.000 0.000 0.335 393 Y C -0.594 175.369 175.900 0.104 0.000 1.046 393 Y CA -0.329 57.915 58.100 0.240 0.000 1.198 393 Y CB 0.488 38.964 38.460 0.028 0.000 1.182 393 Y HN 0.661 nan 8.280 nan 0.000 0.502 394 N N 4.534 122.813 118.700 -0.702 0.000 2.354 394 N HA 0.334 5.074 4.740 -0.000 0.000 0.287 394 N C -2.013 173.222 175.510 -0.458 0.000 1.016 394 N CA -0.410 52.389 53.050 -0.419 0.000 0.871 394 N CB 1.117 39.432 38.487 -0.287 0.000 1.299 394 N HN 0.727 nan 8.380 nan 0.000 0.482 395 D N 0.719 121.010 120.400 -0.181 0.000 2.615 395 D HA 0.280 4.920 4.640 -0.000 0.000 0.267 395 D C -1.340 175.003 176.300 0.072 0.000 1.236 395 D CA -0.253 53.739 54.000 -0.014 0.000 0.839 395 D CB 1.321 42.174 40.800 0.089 0.000 1.380 395 D HN 0.448 nan 8.370 nan 0.000 0.433 396 Y N -0.782 119.532 120.300 0.023 0.000 2.598 396 Y HA 0.520 5.070 4.550 -0.000 0.000 0.340 396 Y C 0.519 176.424 175.900 0.007 0.000 1.038 396 Y CA -0.908 57.225 58.100 0.056 0.000 1.100 396 Y CB 0.711 39.277 38.460 0.176 0.000 1.281 396 Y HN 0.240 nan 8.280 nan 0.000 0.488 397 N N 0.699 119.348 118.700 -0.085 0.000 2.735 397 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 397 N C 0.649 175.781 175.510 -0.630 0.000 1.083 397 N CA 1.212 54.014 53.050 -0.412 0.000 0.703 397 N CB -0.693 37.854 38.487 0.100 0.000 1.005 397 N HN 0.926 nan 8.380 nan 0.000 0.550 398 E N -0.370 119.440 120.200 -0.650 0.000 2.435 398 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 398 E C 1.062 177.581 176.600 -0.135 0.000 1.029 398 E CA 0.797 57.075 56.400 -0.204 0.000 0.865 398 E CB -0.420 29.280 29.700 -0.000 0.000 0.833 398 E HN 0.758 nan 8.360 nan 0.000 0.510 399 Y N -2.172 118.125 120.300 -0.005 0.000 2.493 399 Y HA 0.388 4.938 4.550 -0.000 0.000 0.275 399 Y C 0.098 175.940 175.900 -0.098 0.000 1.183 399 Y CA -1.773 56.264 58.100 -0.106 0.000 1.258 399 Y CB -0.521 37.861 38.460 -0.131 0.000 1.108 399 Y HN -0.062 nan 8.280 nan 0.000 0.521 400 W N 4.224 125.253 121.300 -0.451 0.000 2.308 400 W HA 0.362 5.021 4.660 -0.000 0.000 0.311 400 W C 0.486 176.845 176.519 -0.268 0.000 1.088 400 W CA -1.348 55.762 57.345 -0.391 0.000 1.309 400 W CB 0.709 29.929 29.460 -0.401 0.000 1.229 400 W HN 0.094 nan 8.180 nan 0.000 0.427 401 D N 2.302 122.731 120.400 0.049 0.000 2.355 401 D HA -0.384 4.256 4.640 -0.000 0.000 0.192 401 D C 1.986 178.154 176.300 -0.221 0.000 1.014 401 D CA 3.025 56.983 54.000 -0.071 0.000 0.862 401 D CB -0.636 40.179 40.800 0.025 0.000 0.986 401 D HN 0.805 nan 8.370 nan 0.000 0.456 402 H N -0.209 118.649 119.070 -0.353 0.000 2.457 402 H HA 0.097 4.653 4.556 -0.000 0.000 0.294 402 H C 1.954 177.073 175.328 -0.349 0.000 1.064 402 H CA 1.539 57.378 56.048 -0.349 0.000 1.330 402 H CB -0.006 29.518 29.762 -0.398 0.000 1.395 402 H HN 0.065 nan 8.280 nan 0.000 0.541 403 K N 0.883 120.570 120.400 -1.189 0.000 2.021 403 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 403 K C 2.513 178.901 176.600 -0.354 0.000 1.047 403 K CA 0.621 56.441 56.287 -0.777 0.000 0.943 403 K CB -0.061 31.983 32.500 -0.760 0.000 0.725 403 K HN 0.270 nan 8.250 nan 0.000 0.439 404 R N 0.968 121.300 120.500 -0.279 0.000 2.113 404 R HA -0.204 4.136 4.340 -0.000 0.000 0.244 404 R C 1.194 177.416 176.300 -0.131 0.000 1.142 404 R CA 2.404 58.425 56.100 -0.132 0.000 0.953 404 R CB -0.350 29.838 30.300 -0.185 0.000 0.860 404 R HN 0.224 nan 8.270 nan 0.000 0.438 405 D N -0.035 120.261 120.400 -0.173 0.000 2.178 405 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 405 D C 1.878 178.105 176.300 -0.122 0.000 0.980 405 D CA 1.045 54.962 54.000 -0.138 0.000 0.842 405 D CB -0.646 40.078 40.800 -0.127 0.000 0.948 405 D HN 0.311 nan 8.370 nan 0.000 0.472 406 C N 0.155 119.368 119.300 -0.145 0.000 2.466 406 C HA 0.011 4.471 4.460 -0.000 0.000 0.278 406 C C 2.709 177.604 174.990 -0.158 0.000 1.288 406 C CA 0.079 59.011 59.018 -0.144 0.000 1.722 406 C CB -1.109 26.540 27.740 -0.151 0.000 2.017 406 C HN 0.215 nan 8.230 nan 0.000 0.488 407 I N 1.463 121.954 120.570 -0.133 0.000 2.202 407 I HA -0.116 4.054 4.170 -0.000 0.000 0.242 407 I C 2.861 178.912 176.117 -0.110 0.000 1.091 407 I CA 1.570 62.761 61.300 -0.182 0.000 1.368 407 I CB -0.532 37.437 38.000 -0.053 0.000 1.058 407 I HN 0.363 nan 8.210 nan 0.000 0.410 408 A N -0.243 122.629 122.820 0.086 0.000 1.978 408 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 408 A C 2.476 180.034 177.584 -0.044 0.000 1.170 408 A CA 2.429 54.535 52.037 0.115 0.000 0.636 408 A CB -0.746 18.272 19.000 0.030 0.000 0.810 408 A HN 0.462 nan 8.150 nan 0.000 0.448 409 S N -0.690 114.953 115.700 -0.094 0.000 2.371 409 S HA -0.035 4.434 4.470 -0.000 0.000 0.221 409 S C 1.946 176.456 174.600 -0.151 0.000 1.036 409 S CA 0.904 59.038 58.200 -0.110 0.000 0.965 409 S CB -0.504 62.631 63.200 -0.108 0.000 0.845 409 S HN 0.460 nan 8.310 nan 0.000 0.475 410 I N 1.413 121.857 120.570 -0.211 0.000 2.113 410 I HA -0.318 3.851 4.170 -0.000 0.000 0.242 410 I C 2.535 178.468 176.117 -0.306 0.000 1.064 410 I CA 1.610 62.738 61.300 -0.288 0.000 1.320 410 I CB -0.507 37.239 38.000 -0.424 0.000 1.028 410 I HN 0.455 nan 8.210 nan 0.000 0.406 411 C N 0.268 119.382 119.300 -0.309 0.000 2.446 411 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 411 C C 3.133 178.034 174.990 -0.149 0.000 1.275 411 C CA 0.626 59.479 59.018 -0.275 0.000 1.727 411 C CB -1.308 26.281 27.740 -0.251 0.000 2.010 411 C HN 0.623 nan 8.230 nan 0.000 0.486 412 A N 1.284 124.048 122.820 -0.094 0.000 1.883 412 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 412 A C 2.108 179.685 177.584 -0.011 0.000 1.186 412 A CA 2.119 54.151 52.037 -0.008 0.000 0.624 412 A CB -0.979 18.009 19.000 -0.019 0.000 0.822 412 A HN 0.745 nan 8.150 nan 0.000 0.444 413 N N 0.355 119.004 118.700 -0.083 0.000 2.005 413 N HA -0.197 4.543 4.740 -0.000 0.000 0.199 413 N C 1.819 177.258 175.510 -0.119 0.000 1.054 413 N CA 2.149 55.138 53.050 -0.102 0.000 0.864 413 N CB -0.389 38.019 38.487 -0.131 0.000 1.063 413 N HN 0.486 nan 8.380 nan 0.000 0.428 414 L N -0.272 120.841 121.223 -0.183 0.000 2.137 414 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 414 L C 2.596 179.382 176.870 -0.141 0.000 1.085 414 L CA 1.648 56.348 54.840 -0.233 0.000 0.760 414 L CB -0.660 41.132 42.059 -0.446 0.000 0.893 414 L HN 0.405 nan 8.230 nan 0.000 0.434 415 Y N 0.841 121.021 120.300 -0.200 0.000 2.231 415 Y HA -0.093 4.457 4.550 -0.000 0.000 0.294 415 Y C 2.077 177.912 175.900 -0.107 0.000 1.120 415 Y CA 1.416 59.424 58.100 -0.152 0.000 1.141 415 Y CB -0.469 37.908 38.460 -0.139 0.000 1.022 415 Y HN 0.129 nan 8.280 nan 0.000 0.523 416 N N 0.408 118.957 118.700 -0.251 0.000 2.651 416 N HA -0.119 4.621 4.740 -0.000 0.000 0.193 416 N C 0.874 176.241 175.510 -0.238 0.000 1.149 416 N CA 0.701 53.572 53.050 -0.298 0.000 0.933 416 N CB -0.083 38.334 38.487 -0.116 0.000 0.974 416 N HN 0.340 nan 8.380 nan 0.000 0.448 417 K N -0.224 120.052 120.400 -0.206 0.000 2.397 417 K HA 0.127 4.447 4.320 -0.000 0.000 0.202 417 K C 0.901 177.408 176.600 -0.155 0.000 1.022 417 K CA 0.096 56.290 56.287 -0.154 0.000 1.141 417 K CB 0.657 33.083 32.500 -0.123 0.000 0.857 417 K HN 0.196 nan 8.250 nan 0.000 0.514 418 G N 1.566 110.235 108.800 -0.219 0.000 2.196 418 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.268 418 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.268 418 G C 0.723 175.570 174.900 -0.088 0.000 0.975 418 G CA 0.600 45.599 45.100 -0.168 0.000 0.648 418 G HN 0.325 nan 8.290 nan 0.000 0.538 419 L N -1.125 120.054 121.223 -0.074 0.000 2.513 419 L HA 0.541 4.881 4.340 -0.000 0.000 0.222 419 L C 1.159 178.081 176.870 0.088 0.000 1.096 419 L CA 0.147 54.995 54.840 0.014 0.000 0.857 419 L CB 0.281 42.347 42.059 0.012 0.000 1.026 419 L HN 0.295 nan 8.230 nan 0.000 0.469 420 L N -0.453 120.769 121.223 -0.002 0.000 2.365 420 L HA 0.389 4.729 4.340 -0.000 0.000 0.273 420 L C -0.155 176.746 176.870 0.052 0.000 1.000 420 L CA -0.284 54.558 54.840 0.002 0.000 0.819 420 L CB 1.800 43.703 42.059 -0.261 0.000 1.284 420 L HN -0.044 nan 8.230 nan 0.000 0.418 421 D N 3.236 123.598 120.400 -0.064 0.000 2.423 421 D HA 0.265 4.905 4.640 -0.000 0.000 0.208 421 D C 0.440 176.526 176.300 -0.356 0.000 1.068 421 D CA 0.403 54.337 54.000 -0.110 0.000 0.860 421 D CB 1.538 42.296 40.800 -0.070 0.000 0.992 421 D HN 0.621 nan 8.370 nan 0.000 0.504 422 G N 0.132 108.516 108.800 -0.693 0.000 2.646 422 G HA2 0.431 4.391 3.960 -0.000 0.000 0.291 422 G HA3 0.431 4.391 3.960 -0.000 0.000 0.291 422 G C -1.608 173.062 174.900 -0.382 0.000 1.445 422 G CA -0.490 44.181 45.100 -0.714 0.000 0.814 422 G HN -0.068 nan 8.290 nan 0.000 0.495 423 V N 0.580 120.480 119.914 -0.024 0.000 2.398 423 V HA 0.747 4.867 4.120 -0.000 0.000 0.286 423 V C 1.066 177.239 176.094 0.132 0.000 1.026 423 V CA 0.258 62.557 62.300 -0.001 0.000 0.868 423 V CB 1.171 32.781 31.823 -0.354 0.000 0.982 423 V HN 1.091 nan 8.190 nan 0.000 0.443 427 S N 1.420 117.122 115.700 0.003 0.000 3.749 427 S HA -0.123 4.347 4.470 -0.000 0.000 0.348 427 S C -0.539 174.056 174.600 -0.009 0.000 1.045 427 S CA 0.463 58.747 58.200 0.139 0.000 1.051 427 S CB -1.429 61.828 63.200 0.094 0.000 0.898 427 S HN 0.375 nan 8.310 nan 0.000 0.472 428 H N 1.211 120.428 119.070 0.246 0.000 3.118 428 H HA 0.417 4.973 4.556 -0.000 0.000 0.266 428 H C 0.941 176.419 175.328 0.250 0.000 1.465 428 H CA 0.376 56.566 56.048 0.237 0.000 1.460 428 H CB -0.388 29.549 29.762 0.291 0.000 1.661 428 H HN 0.720 nan 8.280 nan 0.000 0.516 429 I N -0.130 120.559 120.570 0.199 0.000 3.449 429 I HA 0.487 4.657 4.170 -0.000 0.000 0.294 429 I C 0.122 176.252 176.117 0.022 0.000 1.163 429 I CA -1.285 60.074 61.300 0.098 0.000 1.010 429 I CB 1.890 39.822 38.000 -0.114 0.000 1.307 429 I HN 0.187 nan 8.210 nan 0.000 0.518 430 N N 0.315 118.982 118.700 -0.053 0.000 2.815 430 N HA 0.503 5.242 4.740 -0.000 0.000 0.315 430 N C -0.047 175.258 175.510 -0.341 0.000 1.320 430 N CA -0.378 52.599 53.050 -0.123 0.000 0.846 430 N CB 1.184 39.660 38.487 -0.017 0.000 1.344 430 N HN 0.740 nan 8.380 nan 0.000 0.593 431 A N -1.270 121.208 122.820 -0.569 0.000 2.238 431 A HA 0.046 4.365 4.320 -0.000 0.000 0.208 431 A C 0.590 177.630 177.584 -0.906 0.000 1.177 431 A CA 0.068 51.694 52.037 -0.684 0.000 0.804 431 A CB -0.851 17.848 19.000 -0.502 0.000 0.823 431 A HN 0.711 nan 8.150 nan 0.000 0.482 435 G N -0.015 108.804 108.800 0.031 0.000 2.466 435 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.218 435 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.218 435 G C 0.096 175.061 174.900 0.109 0.000 1.237 435 G CA 0.147 45.297 45.100 0.083 0.000 0.954 435 G HN 0.574 nan 8.290 nan 0.000 0.580 436 F N 2.190 122.135 119.950 -0.008 0.000 2.216 436 F HA 0.143 4.670 4.527 -0.000 0.000 0.300 436 F C 2.514 178.341 175.800 0.045 0.000 1.085 436 F CA 2.643 60.646 58.000 0.006 0.000 1.326 436 F CB 0.070 39.041 39.000 -0.049 0.000 1.027 436 F HN 0.934 nan 8.300 nan 0.000 0.497 437 S N -0.897 114.824 115.700 0.035 0.000 2.809 437 S HA 0.456 4.926 4.470 -0.000 0.000 0.248 437 S C 0.515 174.958 174.600 -0.261 0.000 1.071 437 S CA -0.222 57.796 58.200 -0.303 0.000 1.059 437 S CB -0.399 62.694 63.200 -0.178 0.000 0.923 437 S HN 0.308 nan 8.310 nan 0.000 0.516 438 G N 1.044 109.759 108.800 -0.143 0.000 2.606 438 G HA2 0.461 4.421 3.960 -0.000 0.000 0.252 438 G HA3 0.461 4.421 3.960 -0.000 0.000 0.252 438 G C 0.719 175.551 174.900 -0.114 0.000 1.206 438 G CA -0.661 44.367 45.100 -0.120 0.000 0.861 438 G HN 0.288 nan 8.290 nan 0.000 0.561 439 I N -0.279 120.227 120.570 -0.105 0.000 2.423 439 I HA -0.183 3.987 4.170 -0.000 0.000 0.254 439 I C 2.574 178.692 176.117 0.002 0.000 1.151 439 I CA 1.514 62.772 61.300 -0.070 0.000 1.421 439 I CB -0.378 37.574 38.000 -0.080 0.000 1.079 439 I HN 0.763 nan 8.210 nan 0.000 0.431 440 Q N -0.152 119.643 119.800 -0.009 0.000 1.994 440 Q HA -0.203 4.137 4.340 -0.000 0.000 0.198 440 Q C 2.085 178.089 176.000 0.006 0.000 0.976 440 Q CA 1.524 57.329 55.803 0.003 0.000 0.828 440 Q CB -0.114 28.624 28.738 -0.001 0.000 0.894 440 Q HN 0.448 nan 8.270 nan 0.000 0.432 441 N N -0.203 118.495 118.700 -0.004 0.000 2.091 441 N HA -0.220 4.520 4.740 -0.000 0.000 0.193 441 N C 1.494 177.011 175.510 0.011 0.000 1.021 441 N CA 1.403 54.451 53.050 -0.003 0.000 0.862 441 N CB -0.514 37.958 38.487 -0.024 0.000 1.018 441 N HN 0.348 nan 8.380 nan 0.000 0.429 442 Y N 1.483 121.695 120.300 -0.147 0.000 2.114 442 Y HA -0.144 4.406 4.550 -0.000 0.000 0.284 442 Y C 2.314 178.177 175.900 -0.062 0.000 1.143 442 Y CA 1.709 59.724 58.100 -0.141 0.000 1.135 442 Y CB -0.093 38.222 38.460 -0.242 0.000 0.980 442 Y HN -0.043 nan 8.280 nan 0.000 0.499 443 K N -0.317 120.160 120.400 0.128 0.000 2.103 443 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 443 K C 2.239 178.814 176.600 -0.041 0.000 1.048 443 K CA 1.034 57.354 56.287 0.054 0.000 0.930 443 K CB -0.356 32.180 32.500 0.061 0.000 0.716 443 K HN 0.419 nan 8.250 nan 0.000 0.444 444 A N 1.150 123.937 122.820 -0.055 0.000 1.902 444 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 444 A C 2.299 179.773 177.584 -0.184 0.000 1.181 444 A CA 1.966 53.947 52.037 -0.094 0.000 0.623 444 A CB -0.634 18.322 19.000 -0.073 0.000 0.818 444 A HN 0.360 nan 8.150 nan 0.000 0.443 445 A N -0.744 121.936 122.820 -0.234 0.000 1.897 445 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 445 A C 2.074 179.375 177.584 -0.472 0.000 1.181 445 A CA 1.518 53.288 52.037 -0.444 0.000 0.620 445 A CB -0.574 18.239 19.000 -0.311 0.000 0.821 445 A HN 0.614 nan 8.150 nan 0.000 0.443 446 L N -0.216 120.861 121.223 -0.243 0.000 1.989 446 L HA -0.218 4.121 4.340 -0.000 0.000 0.211 446 L C 2.421 179.252 176.870 -0.065 0.000 1.071 446 L CA 2.807 57.593 54.840 -0.090 0.000 0.749 446 L CB -1.040 40.972 42.059 -0.078 0.000 0.890 446 L HN 0.456 nan 8.230 nan 0.000 0.431 447 Q N 0.038 119.781 119.800 -0.096 0.000 2.096 447 Q HA -0.265 4.074 4.340 -0.000 0.000 0.204 447 Q C 2.406 178.342 176.000 -0.106 0.000 0.982 447 Q CA 2.276 58.036 55.803 -0.072 0.000 0.850 447 Q CB -0.313 28.388 28.738 -0.061 0.000 0.901 447 Q HN 0.575 nan 8.270 nan 0.000 0.422 448 K N -1.432 118.842 120.400 -0.210 0.000 2.057 448 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 448 K C 1.802 178.287 176.600 -0.191 0.000 1.050 448 K CA 1.265 57.401 56.287 -0.251 0.000 0.935 448 K CB -0.157 32.103 32.500 -0.399 0.000 0.715 448 K HN 0.214 nan 8.250 nan 0.000 0.439 449 Y N 1.030 121.274 120.300 -0.092 0.000 2.163 449 Y HA -0.177 4.373 4.550 -0.000 0.000 0.288 449 Y C 2.180 178.014 175.900 -0.109 0.000 1.136 449 Y CA 0.607 58.646 58.100 -0.103 0.000 1.147 449 Y CB -0.393 38.012 38.460 -0.092 0.000 0.987 449 Y HN 0.018 nan 8.280 nan 0.000 0.509 450 I N 0.492 121.101 120.570 0.065 0.000 2.151 450 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 450 I C 1.637 177.735 176.117 -0.031 0.000 1.080 450 I CA 1.478 62.783 61.300 0.007 0.000 1.339 450 I CB -1.245 36.767 38.000 0.020 0.000 1.039 450 I HN 0.300 nan 8.210 nan 0.000 0.409 451 N N 1.013 119.693 118.700 -0.033 0.000 2.503 451 N HA -0.164 4.576 4.740 -0.000 0.000 0.189 451 N C 1.765 177.246 175.510 -0.047 0.000 1.048 451 N CA 0.896 53.923 53.050 -0.037 0.000 0.905 451 N CB -0.400 38.063 38.487 -0.041 0.000 0.951 451 N HN 0.445 nan 8.380 nan 0.000 0.446 452 I N -0.576 119.950 120.570 -0.074 0.000 2.493 452 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 452 I C 1.900 177.924 176.117 -0.156 0.000 1.160 452 I CA 1.107 62.344 61.300 -0.105 0.000 1.445 452 I CB -0.060 37.846 38.000 -0.156 0.000 1.086 452 I HN 0.289 nan 8.210 nan 0.000 0.433 453 G N -0.142 108.535 108.800 -0.205 0.000 2.491 453 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.203 453 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.203 453 G C 0.682 175.324 174.900 -0.430 0.000 1.052 453 G CA -0.139 44.839 45.100 -0.203 0.000 0.675 453 G HN 0.480 nan 8.290 nan 0.000 0.504 454 C N 1.251 119.999 119.300 -0.921 0.000 2.776 454 C HA 0.686 5.146 4.460 -0.000 0.000 0.300 454 C C 0.651 175.487 174.990 -0.256 0.000 1.462 454 C CA -0.264 58.322 59.018 -0.719 0.000 2.246 454 C CB 0.341 27.596 27.740 -0.809 0.000 2.203 454 C HN 0.500 nan 8.230 nan 0.000 0.701 455 D N -1.083 119.231 120.400 -0.143 0.000 2.478 455 D HA 0.699 5.339 4.640 -0.000 0.000 0.263 455 D C -0.755 175.588 176.300 0.070 0.000 1.153 455 D CA -0.198 53.807 54.000 0.010 0.000 1.038 455 D CB 1.647 42.506 40.800 0.098 0.000 1.120 455 D HN 0.523 nan 8.370 nan 0.000 0.564 456 V N 0.760 120.763 119.914 0.149 0.000 2.686 456 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 456 V C -0.681 175.498 176.094 0.141 0.000 1.065 456 V CA -0.654 61.738 62.300 0.152 0.000 0.894 456 V CB 1.955 33.823 31.823 0.074 0.000 1.004 456 V HN 0.342 nan 8.190 nan 0.000 0.424 457 Q N 3.474 123.314 119.800 0.067 0.000 2.312 457 Q HA 0.613 4.953 4.340 -0.000 0.000 0.263 457 Q C -0.903 174.984 176.000 -0.188 0.000 0.995 457 Q CA -0.578 55.126 55.803 -0.165 0.000 0.853 457 Q CB 2.884 31.352 28.738 -0.449 0.000 1.300 457 Q HN 0.648 nan 8.270 nan 0.000 0.448 458 I N 2.498 122.944 120.570 -0.207 0.000 2.269 458 I HA 0.029 4.199 4.170 -0.000 0.000 0.293 458 I C 1.251 177.245 176.117 -0.206 0.000 1.106 458 I CA 0.091 61.278 61.300 -0.190 0.000 1.248 458 I CB 0.739 38.609 38.000 -0.216 0.000 1.444 458 I HN 0.825 nan 8.210 nan 0.000 0.497 459 T N 1.075 115.493 114.554 -0.227 0.000 3.035 459 T HA 0.115 4.465 4.350 -0.000 0.000 0.259 459 T C 0.769 175.336 174.700 -0.221 0.000 1.078 459 T CA 0.466 62.417 62.100 -0.248 0.000 1.132 459 T CB 0.034 68.705 68.868 -0.328 0.000 0.900 459 T HN 0.572 nan 8.240 nan 0.000 0.480 460 E N 0.973 120.978 120.200 -0.325 0.000 4.230 460 E HA 0.327 4.677 4.350 -0.000 0.000 0.216 460 E C -1.233 175.137 176.600 -0.384 0.000 1.132 460 E CA -0.533 55.622 56.400 -0.408 0.000 1.404 460 E CB 0.633 29.632 29.700 -1.169 0.000 1.183 460 E HN 0.193 nan 8.360 nan 0.000 0.431 461 L N 2.713 123.869 121.223 -0.111 0.000 2.462 461 L HA 0.189 4.529 4.340 -0.000 0.000 0.272 461 L C -0.636 176.312 176.870 0.129 0.000 1.166 461 L CA 0.449 55.258 54.840 -0.052 0.000 0.880 461 L CB -0.004 42.069 42.059 0.024 0.000 1.142 461 L HN 0.164 nan 8.230 nan 0.000 0.473 462 D N 4.214 124.701 120.400 0.144 0.000 2.552 462 D HA 0.536 5.176 4.640 -0.000 0.000 0.239 462 D C -0.815 175.537 176.300 0.086 0.000 1.139 462 D CA -0.347 53.813 54.000 0.267 0.000 0.914 462 D CB 1.092 42.174 40.800 0.471 0.000 1.461 462 D HN 0.391 nan 8.370 nan 0.000 0.462 463 I N 0.793 121.387 120.570 0.040 0.000 2.521 463 I HA 0.205 4.375 4.170 -0.000 0.000 0.277 463 I C -0.284 175.840 176.117 0.012 0.000 1.054 463 I CA -0.712 60.523 61.300 -0.108 0.000 1.117 463 I CB 1.625 39.358 38.000 -0.446 0.000 1.217 463 I HN 0.330 nan 8.210 nan 0.000 0.469 464 S N 2.920 118.647 115.700 0.044 0.000 2.510 464 S HA 0.062 4.532 4.470 -0.000 0.000 0.279 464 S C 1.471 176.162 174.600 0.152 0.000 1.284 464 S CA -0.127 58.128 58.200 0.091 0.000 1.059 464 S CB 0.559 63.803 63.200 0.075 0.000 0.901 464 S HN 0.746 nan 8.310 nan 0.000 0.491 465 T N 1.362 116.021 114.554 0.174 0.000 3.148 465 T HA 0.176 4.526 4.350 -0.000 0.000 0.253 465 T C 0.374 175.246 174.700 0.288 0.000 1.134 465 T CA 0.439 62.704 62.100 0.276 0.000 1.051 465 T CB -0.609 68.368 68.868 0.182 0.000 0.959 465 T HN 0.857 nan 8.240 nan 0.000 0.525 466 E N 1.205 121.520 120.200 0.191 0.000 2.252 466 E HA -0.216 4.134 4.350 -0.000 0.000 0.199 466 E C 0.024 176.622 176.600 -0.004 0.000 1.352 466 E CA 0.455 56.911 56.400 0.093 0.000 0.682 466 E CB -2.004 27.773 29.700 0.127 0.000 1.142 466 E HN 0.455 nan 8.360 nan 0.000 0.367 467 N N -0.136 118.567 118.700 0.005 0.000 2.710 467 N HA -0.276 4.464 4.740 -0.000 0.000 0.249 467 N C 0.684 176.178 175.510 -0.027 0.000 1.059 467 N CA 2.624 55.665 53.050 -0.014 0.000 0.720 467 N CB -1.301 37.168 38.487 -0.031 0.000 0.983 467 N HN 1.127 nan 8.380 nan 0.000 0.544 468 G N -0.994 107.800 108.800 -0.010 0.000 2.175 468 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.244 468 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.244 468 G C 0.793 175.643 174.900 -0.084 0.000 0.982 468 G CA 0.957 46.045 45.100 -0.020 0.000 0.641 468 G HN 0.652 nan 8.290 nan 0.000 0.527 469 K N -0.825 119.462 120.400 -0.187 0.000 2.097 469 K HA 0.125 4.445 4.320 -0.000 0.000 0.206 469 K C 0.318 176.625 176.600 -0.488 0.000 1.049 469 K CA 0.888 56.923 56.287 -0.420 0.000 0.933 469 K CB -0.099 31.999 32.500 -0.670 0.000 0.717 469 K HN 0.303 nan 8.250 nan 0.000 0.442 470 F N 0.242 120.194 119.950 0.002 0.000 2.507 470 F HA 0.234 4.761 4.527 -0.000 0.000 0.327 470 F C 0.469 176.276 175.800 0.011 0.000 1.068 470 F CA -1.130 56.873 58.000 0.004 0.000 0.965 470 F CB 1.602 40.603 39.000 0.002 0.000 1.192 470 F HN -0.088 nan 8.300 nan 0.000 0.476 471 S N 1.532 117.366 115.700 0.223 0.000 2.652 471 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 471 S C 0.996 175.667 174.600 0.119 0.000 1.243 471 S CA -0.750 57.526 58.200 0.125 0.000 0.999 471 S CB 0.754 64.006 63.200 0.088 0.000 0.973 471 S HN 0.665 nan 8.310 nan 0.000 0.544 472 L N 0.352 121.628 121.223 0.088 0.000 2.127 472 L HA -0.143 4.197 4.340 -0.000 0.000 0.211 472 L C 2.911 179.821 176.870 0.067 0.000 1.089 472 L CA 1.152 56.039 54.840 0.079 0.000 0.757 472 L CB -0.547 41.549 42.059 0.062 0.000 0.899 472 L HN 0.709 nan 8.230 nan 0.000 0.434 473 Q N 0.021 119.855 119.800 0.057 0.000 2.167 473 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 473 Q C 2.155 178.178 176.000 0.039 0.000 0.970 473 Q CA 1.416 57.245 55.803 0.043 0.000 0.855 473 Q CB -0.008 28.752 28.738 0.036 0.000 0.911 473 Q HN 0.638 nan 8.270 nan 0.000 0.438 474 Q N -0.330 119.500 119.800 0.050 0.000 2.123 474 Q HA -0.148 4.192 4.340 -0.000 0.000 0.199 474 Q C 2.028 178.009 176.000 -0.031 0.000 0.966 474 Q CA 1.007 56.818 55.803 0.013 0.000 0.845 474 Q CB -0.072 28.693 28.738 0.044 0.000 0.907 474 Q HN 0.393 nan 8.270 nan 0.000 0.439 475 Q N 0.842 120.648 119.800 0.010 0.000 2.050 475 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 475 Q C 2.094 178.158 176.000 0.106 0.000 0.980 475 Q CA 1.343 57.162 55.803 0.026 0.000 0.840 475 Q CB -0.198 28.604 28.738 0.107 0.000 0.898 475 Q HN 0.356 nan 8.270 nan 0.000 0.424 476 A N 1.411 124.293 122.820 0.102 0.000 1.903 476 A HA -0.292 4.027 4.320 -0.000 0.000 0.219 476 A C 1.726 179.351 177.584 0.069 0.000 1.191 476 A CA 2.157 54.248 52.037 0.090 0.000 0.638 476 A CB -0.957 18.066 19.000 0.039 0.000 0.823 476 A HN 0.553 nan 8.150 nan 0.000 0.451 477 D N -0.860 119.554 120.400 0.023 0.000 2.117 477 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 477 D C 1.952 178.237 176.300 -0.026 0.000 0.987 477 D CA 1.700 55.699 54.000 -0.002 0.000 0.829 477 D CB -0.206 40.582 40.800 -0.020 0.000 0.961 477 D HN 0.414 nan 8.370 nan 0.000 0.460 478 K N -0.060 120.297 120.400 -0.073 0.000 2.103 478 K HA -0.090 4.229 4.320 -0.000 0.000 0.204 478 K C 2.021 178.537 176.600 -0.140 0.000 1.052 478 K CA 0.961 57.148 56.287 -0.166 0.000 0.945 478 K CB -0.681 31.657 32.500 -0.271 0.000 0.722 478 K HN 0.211 nan 8.250 nan 0.000 0.443 479 Y N 0.863 121.129 120.300 -0.057 0.000 2.145 479 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 479 Y C 2.338 178.278 175.900 0.067 0.000 1.145 479 Y CA 1.782 59.892 58.100 0.016 0.000 1.148 479 Y CB -0.008 38.449 38.460 -0.005 0.000 0.981 479 Y HN 0.034 nan 8.280 nan 0.000 0.507 480 K N 0.173 120.667 120.400 0.157 0.000 2.063 480 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 480 K C 2.216 178.881 176.600 0.108 0.000 1.048 480 K CA 1.144 57.491 56.287 0.100 0.000 0.928 480 K CB -0.291 32.232 32.500 0.039 0.000 0.713 480 K HN 0.312 nan 8.250 nan 0.000 0.442 481 A N 0.501 123.346 122.820 0.041 0.000 1.933 481 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 481 A C 2.198 179.779 177.584 -0.006 0.000 1.175 481 A CA 1.395 53.434 52.037 0.003 0.000 0.628 481 A CB -0.369 18.594 19.000 -0.061 0.000 0.814 481 A HN 0.162 nan 8.150 nan 0.000 0.444 482 V N -1.581 118.309 119.914 -0.040 0.000 2.407 482 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 482 V C 2.239 178.312 176.094 -0.036 0.000 1.041 482 V CA 1.673 63.877 62.300 -0.160 0.000 1.040 482 V CB -0.902 30.712 31.823 -0.349 0.000 0.671 482 V HN 0.567 nan 8.190 nan 0.000 0.455 483 F N 0.265 120.203 119.950 -0.020 0.000 2.095 483 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 483 F C 2.689 178.556 175.800 0.111 0.000 1.104 483 F CA 2.150 60.173 58.000 0.038 0.000 1.232 483 F CB -0.447 38.579 39.000 0.043 0.000 0.987 483 F HN 0.132 nan 8.300 nan 0.000 0.475 484 Q N 0.708 120.665 119.800 0.261 0.000 2.152 484 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 484 Q C 2.092 178.175 176.000 0.138 0.000 0.985 484 Q CA 1.977 57.883 55.803 0.172 0.000 0.863 484 Q CB -0.568 28.237 28.738 0.111 0.000 0.904 484 Q HN 0.362 nan 8.270 nan 0.000 0.422 485 A N -0.131 122.757 122.820 0.113 0.000 1.898 485 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 485 A C 2.246 179.906 177.584 0.126 0.000 1.181 485 A CA 1.799 53.901 52.037 0.108 0.000 0.620 485 A CB -1.040 18.030 19.000 0.116 0.000 0.819 485 A HN 0.510 nan 8.150 nan 0.000 0.442 486 A N -0.614 122.277 122.820 0.119 0.000 1.897 486 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 486 A C 2.202 179.982 177.584 0.327 0.000 1.181 486 A CA 1.493 53.622 52.037 0.153 0.000 0.620 486 A CB -0.899 18.071 19.000 -0.049 0.000 0.821 486 A HN 0.338 nan 8.150 nan 0.000 0.443 487 V N 1.013 121.129 119.914 0.336 0.000 2.252 487 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 487 V C 2.235 178.446 176.094 0.195 0.000 1.056 487 V CA 2.520 64.940 62.300 0.200 0.000 1.022 487 V CB -0.926 30.905 31.823 0.012 0.000 0.641 487 V HN 0.518 nan 8.190 nan 0.000 0.445 488 D N -0.186 120.304 120.400 0.151 0.000 2.133 488 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 488 D C 2.091 178.475 176.300 0.140 0.000 0.997 488 D CA 1.213 55.290 54.000 0.128 0.000 0.840 488 D CB -0.282 40.576 40.800 0.097 0.000 0.947 488 D HN 0.283 nan 8.370 nan 0.000 0.452 489 I N 0.971 121.630 120.570 0.148 0.000 2.226 489 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 489 I C 1.750 177.964 176.117 0.161 0.000 1.100 489 I CA 1.119 62.500 61.300 0.134 0.000 1.374 489 I CB -0.630 37.446 38.000 0.128 0.000 1.057 489 I HN -0.005 nan 8.210 nan 0.000 0.413 490 N N 0.926 119.767 118.700 0.235 0.000 2.244 490 N HA -0.114 4.626 4.740 -0.000 0.000 0.183 490 N C 1.875 177.507 175.510 0.202 0.000 1.016 490 N CA 0.885 54.086 53.050 0.251 0.000 0.866 490 N CB -0.234 38.490 38.487 0.394 0.000 0.980 490 N HN 0.287 nan 8.380 nan 0.000 0.430 491 R N -0.269 120.365 120.500 0.223 0.000 2.189 491 R HA 0.035 4.375 4.340 -0.000 0.000 0.223 491 R C 0.920 177.283 176.300 0.105 0.000 1.092 491 R CA 0.822 57.022 56.100 0.166 0.000 0.989 491 R CB -0.131 30.271 30.300 0.171 0.000 0.876 491 R HN 0.194 nan 8.270 nan 0.000 0.457 492 T N -0.741 113.871 114.554 0.097 0.000 3.560 492 T HA 0.055 4.405 4.350 -0.000 0.000 0.350 492 T C 0.471 175.208 174.700 0.061 0.000 1.264 492 T CA -0.455 61.686 62.100 0.069 0.000 0.924 492 T CB 0.426 69.333 68.868 0.065 0.000 1.997 492 T HN 0.002 nan 8.240 nan 0.000 0.553 493 S N 0.411 116.141 115.700 0.049 0.000 2.586 493 S HA 0.421 4.891 4.470 -0.000 0.000 0.274 493 S C 0.209 174.839 174.600 0.051 0.000 1.281 493 S CA 0.383 58.610 58.200 0.045 0.000 1.035 493 S CB 0.037 63.257 63.200 0.033 0.000 0.962 493 S HN 1.379 nan 8.310 nan 0.000 0.512 494 S N 2.088 117.819 115.700 0.051 0.000 3.350 494 S HA -0.089 4.381 4.470 -0.000 0.000 0.271 494 S C 0.107 174.731 174.600 0.039 0.000 1.309 494 S CA 0.781 59.010 58.200 0.048 0.000 0.757 494 S CB -2.049 61.179 63.200 0.047 0.000 0.977 494 S HN 0.909 nan 8.310 nan 0.000 0.709 495 K N 0.870 121.291 120.400 0.036 0.000 2.267 495 K HA 0.437 4.757 4.320 -0.000 0.000 0.213 495 K C 1.277 177.900 176.600 0.039 0.000 1.060 495 K CA 0.557 56.867 56.287 0.040 0.000 0.935 495 K CB -0.254 32.271 32.500 0.042 0.000 1.096 495 K HN 0.559 nan 8.250 nan 0.000 0.468 496 G N 1.713 110.525 108.800 0.020 0.000 2.527 496 G HA2 0.236 4.196 3.960 -0.000 0.000 0.248 496 G HA3 0.236 4.196 3.960 -0.000 0.000 0.248 496 G C -0.790 174.145 174.900 0.058 0.000 1.231 496 G CA -0.127 44.984 45.100 0.017 0.000 0.838 496 G HN 0.139 nan 8.290 nan 0.000 0.570 497 K N 0.346 120.797 120.400 0.084 0.000 2.546 497 K HA 0.296 4.616 4.320 -0.000 0.000 0.264 497 K C -1.124 175.572 176.600 0.161 0.000 0.937 497 K CA -0.781 55.585 56.287 0.132 0.000 0.833 497 K CB 2.348 34.930 32.500 0.137 0.000 1.378 497 K HN 0.270 nan 8.250 nan 0.000 0.432 498 V N 2.526 122.564 119.914 0.208 0.000 2.455 498 V HA 0.124 4.244 4.120 -0.000 0.000 0.273 498 V C 1.357 177.632 176.094 0.302 0.000 1.045 498 V CA 0.388 62.803 62.300 0.192 0.000 0.976 498 V CB 0.916 32.809 31.823 0.117 0.000 0.993 498 V HN 1.001 nan 8.190 nan 0.000 0.475 499 T N 1.261 115.959 114.554 0.240 0.000 2.975 499 T HA 0.578 4.927 4.350 -0.000 0.000 0.257 499 T C 0.287 175.179 174.700 0.320 0.000 1.003 499 T CA 0.450 62.739 62.100 0.315 0.000 0.932 499 T CB 0.570 69.610 68.868 0.287 0.000 1.087 499 T HN 0.883 nan 8.240 nan 0.000 0.512 500 A N 0.534 123.445 122.820 0.151 0.000 2.520 500 A HA 0.721 5.041 4.320 -0.000 0.000 0.298 500 A C -1.491 175.961 177.584 -0.220 0.000 1.051 500 A CA -0.678 51.414 52.037 0.092 0.000 0.690 500 A CB 2.018 21.130 19.000 0.187 0.000 1.281 500 A HN 0.273 nan 8.150 nan 0.000 0.402 501 V N 1.170 120.907 119.914 -0.294 0.000 2.447 501 V HA 0.445 4.564 4.120 -0.000 0.000 0.292 501 V C -0.726 175.289 176.094 -0.132 0.000 1.021 501 V CA -0.498 61.542 62.300 -0.433 0.000 0.850 501 V CB 1.053 32.309 31.823 -0.946 0.000 1.005 501 V HN 1.059 nan 8.190 nan 0.000 0.426 502 C N 4.664 123.919 119.300 -0.074 0.000 2.408 502 C HA 0.762 5.221 4.460 -0.000 0.000 0.321 502 C C 0.219 175.259 174.990 0.084 0.000 1.245 502 C CA -1.075 57.965 59.018 0.037 0.000 1.523 502 C CB 1.198 28.950 27.740 0.019 0.000 2.178 502 C HN 0.772 nan 8.230 nan 0.000 0.488 503 V N 0.376 120.381 119.914 0.151 0.000 2.644 503 V HA 0.483 4.602 4.120 -0.000 0.000 0.295 503 V C -0.044 176.175 176.094 0.208 0.000 1.053 503 V CA -0.523 61.913 62.300 0.226 0.000 0.987 503 V CB 1.398 33.416 31.823 0.325 0.000 1.006 503 V HN 1.038 nan 8.190 nan 0.000 0.472 504 W N 5.412 126.725 121.300 0.022 0.000 1.611 504 W HA 0.605 5.264 4.660 -0.000 0.000 0.395 504 W C 0.338 176.880 176.519 0.038 0.000 0.698 504 W CA 0.425 57.758 57.345 -0.020 0.000 1.845 504 W CB 0.130 29.605 29.460 0.025 0.000 1.818 504 W HN 1.241 nan 8.180 nan 0.000 0.270 505 G N 3.227 111.971 108.800 -0.093 0.000 2.321 505 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.339 505 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.339 505 G C -2.872 172.008 174.900 -0.032 0.000 1.518 505 G CA -0.699 44.340 45.100 -0.102 0.000 0.994 505 G HN -0.077 nan 8.290 nan 0.000 0.668 506 P HA 0.151 nan 4.420 nan 0.000 0.229 506 P C 0.334 177.767 177.300 0.222 0.000 1.160 506 P CA 0.964 64.111 63.100 0.078 0.000 0.855 506 P CB 0.410 32.109 31.700 -0.002 0.000 0.898 507 N N -1.732 117.061 118.700 0.156 0.000 2.732 507 N HA 0.106 4.846 4.740 -0.000 0.000 0.259 507 N C -0.050 175.548 175.510 0.147 0.000 1.402 507 N CA -0.547 52.618 53.050 0.192 0.000 0.829 507 N CB -0.321 38.256 38.487 0.150 0.000 1.495 507 N HN -0.438 nan 8.380 nan 0.000 0.511 508 D N -0.390 120.096 120.400 0.144 0.000 2.350 508 D HA 0.053 4.693 4.640 -0.000 0.000 0.216 508 D C 0.990 177.348 176.300 0.097 0.000 0.968 508 D CA 1.078 55.152 54.000 0.124 0.000 0.894 508 D CB -0.161 40.705 40.800 0.109 0.000 0.909 508 D HN 0.665 nan 8.370 nan 0.000 0.520 509 A N -0.135 122.733 122.820 0.080 0.000 2.307 509 A HA 0.091 4.411 4.320 -0.000 0.000 0.218 509 A C 0.619 178.234 177.584 0.052 0.000 1.228 509 A CA -0.061 52.010 52.037 0.057 0.000 0.857 509 A CB 0.187 19.211 19.000 0.040 0.000 0.897 509 A HN 0.008 nan 8.150 nan 0.000 0.495 510 N N 0.367 119.107 118.700 0.066 0.000 2.664 510 N HA 0.095 4.835 4.740 -0.000 0.000 0.287 510 N C -1.021 174.541 175.510 0.088 0.000 1.869 510 N CA 0.103 53.183 53.050 0.051 0.000 0.832 510 N CB 1.217 39.707 38.487 0.004 0.000 1.293 510 N HN 0.198 nan 8.380 nan 0.000 0.498 511 T N -0.176 114.471 114.554 0.154 0.000 2.824 511 T HA 0.251 4.601 4.350 -0.000 0.000 0.282 511 T C 0.959 175.874 174.700 0.360 0.000 0.993 511 T CA -0.669 61.601 62.100 0.284 0.000 0.967 511 T CB 0.600 69.623 68.868 0.258 0.000 0.960 511 T HN 0.349 nan 8.240 nan 0.000 0.441 512 W N 5.772 127.162 121.300 0.150 0.000 2.632 512 W HA 0.090 4.750 4.660 -0.000 0.000 0.248 512 W C 0.350 176.924 176.519 0.091 0.000 1.259 512 W CA 0.174 57.597 57.345 0.129 0.000 1.288 512 W CB -1.284 28.288 29.460 0.187 0.000 1.136 512 W HN 0.597 nan 8.180 nan 0.000 0.640 513 L N 1.379 122.467 121.223 -0.225 0.000 2.567 513 L HA 0.405 4.745 4.340 -0.000 0.000 0.225 513 L C 1.096 177.883 176.870 -0.138 0.000 1.119 513 L CA 0.635 55.237 54.840 -0.396 0.000 0.871 513 L CB -1.023 40.842 42.059 -0.324 0.000 1.036 513 L HN 0.070 nan 8.230 nan 0.000 0.459 514 G N -0.428 108.360 108.800 -0.021 0.000 2.785 514 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 514 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 514 G C 0.284 175.199 174.900 0.026 0.000 1.155 514 G CA -0.230 44.872 45.100 0.003 0.000 0.760 514 G HN -0.031 nan 8.290 nan 0.000 0.624 515 S N 0.614 116.337 115.700 0.037 0.000 2.447 515 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 515 S C 2.396 177.022 174.600 0.043 0.000 1.006 515 S CA 1.709 59.938 58.200 0.049 0.000 0.957 515 S CB -0.061 63.165 63.200 0.044 0.000 0.773 515 S HN 0.932 nan 8.310 nan 0.000 0.507 516 Q N 1.130 120.946 119.800 0.026 0.000 2.488 516 Q HA 0.040 4.380 4.340 -0.000 0.000 0.211 516 Q C 0.275 176.292 176.000 0.029 0.000 0.967 516 Q CA 0.956 56.772 55.803 0.022 0.000 0.926 516 Q CB -0.418 28.324 28.738 0.007 0.000 0.992 516 Q HN 0.423 nan 8.270 nan 0.000 0.506 517 N N 1.112 119.833 118.700 0.036 0.000 2.230 517 N HA 0.203 4.943 4.740 -0.000 0.000 0.202 517 N C -0.014 175.549 175.510 0.089 0.000 1.119 517 N CA 0.664 53.747 53.050 0.055 0.000 0.851 517 N CB 0.621 39.128 38.487 0.033 0.000 0.990 517 N HN 0.343 nan 8.380 nan 0.000 0.497 518 A N 1.753 124.626 122.820 0.089 0.000 2.253 518 A HA -0.157 4.163 4.320 -0.000 0.000 0.278 518 A C -1.567 176.103 177.584 0.144 0.000 1.381 518 A CA 0.287 52.388 52.037 0.107 0.000 0.771 518 A CB -0.926 18.130 19.000 0.093 0.000 1.092 518 A HN 0.222 nan 8.150 nan 0.000 0.360 519 P HA 0.293 nan 4.420 nan 0.000 0.261 519 P C 0.486 177.979 177.300 0.321 0.000 1.268 519 P CA 0.336 63.568 63.100 0.220 0.000 0.833 519 P CB 0.345 32.171 31.700 0.211 0.000 1.231 520 L N -1.739 119.651 121.223 0.278 0.000 2.558 520 L HA 0.395 4.735 4.340 -0.000 0.000 0.260 520 L C 1.672 178.587 176.870 0.075 0.000 1.130 520 L CA -0.964 54.042 54.840 0.278 0.000 1.049 520 L CB 0.073 42.289 42.059 0.261 0.000 1.758 520 L HN -0.346 nan 8.230 nan 0.000 0.555 521 L N -0.926 120.272 121.223 -0.042 0.000 2.477 521 L HA 0.219 4.559 4.340 -0.000 0.000 0.220 521 L C -0.620 175.903 176.870 -0.579 0.000 1.106 521 L CA 0.445 55.057 54.840 -0.381 0.000 0.851 521 L CB 0.264 42.082 42.059 -0.402 0.000 0.994 521 L HN 0.221 nan 8.230 nan 0.000 0.462 522 F N -0.505 119.465 119.950 0.034 0.000 2.576 522 F HA 0.293 4.820 4.527 -0.000 0.000 0.313 522 F C 0.367 176.180 175.800 0.022 0.000 1.078 522 F CA -1.537 56.464 58.000 0.001 0.000 0.921 522 F CB 0.942 39.934 39.000 -0.012 0.000 1.232 522 F HN -0.100 nan 8.300 nan 0.000 0.459 523 N N 1.103 119.922 118.700 0.198 0.000 2.322 523 N HA 0.279 5.019 4.740 -0.000 0.000 0.270 523 N C 0.866 176.446 175.510 0.116 0.000 1.286 523 N CA 0.039 53.165 53.050 0.126 0.000 0.948 523 N CB 0.100 38.637 38.487 0.083 0.000 1.164 523 N HN 0.677 nan 8.380 nan 0.000 0.551 524 A N -0.707 122.160 122.820 0.077 0.000 2.131 524 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 524 A C 0.501 178.107 177.584 0.037 0.000 1.158 524 A CA 1.401 53.470 52.037 0.054 0.000 0.665 524 A CB -0.999 18.025 19.000 0.040 0.000 0.795 524 A HN 0.768 nan 8.150 nan 0.000 0.460 525 N N 0.666 119.390 118.700 0.039 0.000 2.458 525 N HA 0.130 4.870 4.740 -0.000 0.000 0.274 525 N C -0.465 175.050 175.510 0.008 0.000 1.242 525 N CA -0.220 52.840 53.050 0.016 0.000 0.904 525 N CB 0.128 38.623 38.487 0.013 0.000 1.206 525 N HN 0.311 nan 8.380 nan 0.000 0.510 526 N N 0.581 119.289 118.700 0.014 0.000 2.677 526 N HA -0.253 4.487 4.740 -0.000 0.000 0.249 526 N C -0.763 174.767 175.510 0.034 0.000 1.073 526 N CA 0.920 53.941 53.050 -0.048 0.000 0.737 526 N CB -0.869 37.496 38.487 -0.202 0.000 0.999 526 N HN 0.615 nan 8.380 nan 0.000 0.543 527 Q N 0.542 120.421 119.800 0.132 0.000 2.259 527 Q HA 0.321 4.661 4.340 -0.000 0.000 0.249 527 Q C -2.103 174.048 176.000 0.253 0.000 0.914 527 Q CA -1.518 54.367 55.803 0.136 0.000 0.904 527 Q CB 0.917 29.692 28.738 0.062 0.000 1.213 527 Q HN 0.137 nan 8.270 nan 0.000 0.428 528 P HA 0.022 nan 4.420 nan 0.000 0.271 528 P C -0.970 176.261 177.300 -0.115 0.000 1.216 528 P CA 0.148 63.122 63.100 -0.210 0.000 0.776 528 P CB 0.931 32.426 31.700 -0.342 0.000 0.881 529 K N 3.794 124.089 120.400 -0.176 0.000 2.210 529 K HA 0.342 4.661 4.320 -0.000 0.000 0.236 529 K C -1.440 175.133 176.600 -0.045 0.000 1.016 529 K CA -1.932 54.311 56.287 -0.073 0.000 0.913 529 K CB 0.019 32.476 32.500 -0.072 0.000 1.141 529 K HN 0.147 nan 8.250 nan 0.000 0.462 530 P HA -0.329 nan 4.420 nan 0.000 0.217 530 P C 0.904 178.179 177.300 -0.042 0.000 1.162 530 P CA 1.923 65.016 63.100 -0.011 0.000 0.901 530 P CB -0.079 31.627 31.700 0.010 0.000 0.793 531 A N -1.558 121.228 122.820 -0.056 0.000 1.948 531 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 531 A C 2.362 179.776 177.584 -0.284 0.000 1.177 531 A CA 1.926 53.886 52.037 -0.127 0.000 0.636 531 A CB -1.851 17.062 19.000 -0.145 0.000 0.815 531 A HN 0.227 nan 8.150 nan 0.000 0.449 532 Y N 1.295 121.345 120.300 -0.416 0.000 2.092 532 Y HA -0.254 4.296 4.550 -0.000 0.000 0.282 532 Y C 2.290 178.015 175.900 -0.292 0.000 1.126 532 Y CA 2.158 59.977 58.100 -0.469 0.000 1.111 532 Y CB -0.396 37.686 38.460 -0.629 0.000 0.987 532 Y HN 0.336 nan 8.280 nan 0.000 0.489 533 N N 0.820 119.488 118.700 -0.053 0.000 2.089 533 N HA -0.328 4.412 4.740 -0.000 0.000 0.198 533 N C 1.919 177.325 175.510 -0.174 0.000 1.017 533 N CA 1.873 54.874 53.050 -0.082 0.000 0.880 533 N CB -1.002 37.489 38.487 0.007 0.000 1.042 533 N HN 0.595 nan 8.380 nan 0.000 0.446 534 A N 0.771 123.496 122.820 -0.158 0.000 1.851 534 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 534 A C 2.527 179.986 177.584 -0.208 0.000 1.195 534 A CA 1.719 53.677 52.037 -0.132 0.000 0.622 534 A CB -0.945 18.012 19.000 -0.071 0.000 0.831 534 A HN 0.135 nan 8.150 nan 0.000 0.444 535 V N -0.298 119.398 119.914 -0.363 0.000 2.720 535 V HA -0.166 3.954 4.120 -0.000 0.000 0.256 535 V C 2.664 178.527 176.094 -0.386 0.000 1.082 535 V CA 1.650 63.653 62.300 -0.495 0.000 1.101 535 V CB -0.810 30.435 31.823 -0.963 0.000 0.693 535 V HN 0.620 nan 8.190 nan 0.000 0.479 536 A N -0.177 122.356 122.820 -0.478 0.000 2.218 536 A HA 0.025 4.345 4.320 -0.000 0.000 0.209 536 A C 2.213 179.701 177.584 -0.161 0.000 1.168 536 A CA 0.991 52.782 52.037 -0.409 0.000 0.804 536 A CB -0.202 18.416 19.000 -0.636 0.000 0.834 536 A HN 0.619 nan 8.150 nan 0.000 0.482 537 S N -1.010 114.620 115.700 -0.117 0.000 2.556 537 S HA 0.187 4.657 4.470 -0.000 0.000 0.216 537 S C 1.429 176.022 174.600 -0.012 0.000 0.970 537 S CA 0.212 58.392 58.200 -0.033 0.000 0.912 537 S CB -0.537 62.646 63.200 -0.029 0.000 0.790 537 S HN 0.389 nan 8.310 nan 0.000 0.504 538 I N 1.217 121.774 120.570 -0.021 0.000 2.235 538 I HA 0.094 4.264 4.170 -0.000 0.000 0.241 538 I C 0.296 176.390 176.117 -0.039 0.000 1.085 538 I CA 0.615 61.914 61.300 -0.001 0.000 1.378 538 I CB 0.025 38.073 38.000 0.080 0.000 1.076 538 I HN 0.286 nan 8.210 nan 0.000 0.415 539 I N 3.114 123.620 120.570 -0.107 0.000 2.325 539 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 539 I C -2.099 174.109 176.117 0.151 0.000 1.019 539 I CA -2.902 58.361 61.300 -0.062 0.000 1.302 539 I CB -0.199 37.669 38.000 -0.221 0.000 1.401 539 I HN -0.051 nan 8.210 nan 0.000 0.485 540 P HA 0.119 nan 4.420 nan 0.000 0.275 540 P C 0.326 177.409 177.300 -0.361 0.000 1.228 540 P CA -0.367 62.680 63.100 -0.087 0.000 0.786 540 P CB 0.772 32.422 31.700 -0.083 0.000 0.927 541 Q N 1.618 120.961 119.800 -0.761 0.000 2.226 541 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 541 Q C 1.548 176.983 176.000 -0.941 0.000 0.975 541 Q CA 2.008 56.774 55.803 -1.727 0.000 0.866 541 Q CB -0.770 26.815 28.738 -1.921 0.000 0.915 541 Q HN 0.459 nan 8.270 nan 0.000 0.440 542 S N 0.540 115.961 115.700 -0.465 0.000 2.462 542 S HA -0.184 4.286 4.470 -0.000 0.000 0.243 542 S C 1.300 175.820 174.600 -0.133 0.000 1.003 542 S CA 1.394 59.453 58.200 -0.236 0.000 0.970 542 S CB -0.209 62.902 63.200 -0.149 0.000 0.762 542 S HN 0.610 nan 8.310 nan 0.000 0.510 543 E N -0.576 119.557 120.200 -0.112 0.000 2.474 543 E HA 0.091 4.441 4.350 -0.000 0.000 0.195 543 E C -0.197 176.531 176.600 0.214 0.000 1.039 543 E CA -0.499 55.937 56.400 0.060 0.000 0.881 543 E CB 0.108 29.891 29.700 0.139 0.000 0.970 543 E HN 0.541 nan 8.360 nan 0.000 0.486 544 W N 1.694 122.992 121.300 -0.003 0.000 1.979 544 W HA 0.372 5.032 4.660 -0.000 0.000 0.359 544 W C 1.050 177.594 176.519 0.042 0.000 1.354 544 W CA 0.018 57.369 57.345 0.009 0.000 1.359 544 W CB -0.243 29.226 29.460 0.014 0.000 1.248 544 W HN -0.030 nan 8.180 nan 0.000 0.641 545 G N -0.431 108.567 108.800 0.329 0.000 2.561 545 G HA2 0.194 4.154 3.960 -0.000 0.000 0.310 545 G HA3 0.194 4.154 3.960 -0.000 0.000 0.310 545 G C -1.839 173.155 174.900 0.157 0.000 1.292 545 G CA -0.833 44.393 45.100 0.211 0.000 0.811 545 G HN 0.191 nan 8.290 nan 0.000 0.482 546 D N 0.258 120.591 120.400 -0.112 0.000 2.374 546 D HA 0.411 5.051 4.640 -0.000 0.000 0.240 546 D C 1.673 177.880 176.300 -0.156 0.000 1.229 546 D CA 0.579 54.346 54.000 -0.388 0.000 0.895 546 D CB 0.723 41.074 40.800 -0.748 0.000 1.046 546 D HN 0.527 nan 8.370 nan 0.000 0.498 547 G N 3.941 112.710 108.800 -0.050 0.000 2.475 547 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 547 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 547 G C 1.401 176.277 174.900 -0.040 0.000 1.125 547 G CA 0.288 45.381 45.100 -0.011 0.000 0.755 547 G HN 0.460 nan 8.290 nan 0.000 0.565 548 N N 0.800 119.453 118.700 -0.079 0.000 2.494 548 N HA -0.014 4.726 4.740 -0.000 0.000 0.182 548 N C 0.357 175.812 175.510 -0.091 0.000 1.076 548 N CA 0.410 53.415 53.050 -0.075 0.000 0.908 548 N CB 0.104 38.555 38.487 -0.061 0.000 0.967 548 N HN 0.277 nan 8.380 nan 0.000 0.449 549 N N 1.135 119.764 118.700 -0.119 0.000 2.723 549 N HA 0.176 4.916 4.740 -0.000 0.000 0.290 549 N C -2.736 172.725 175.510 -0.082 0.000 1.882 549 N CA -0.748 52.243 53.050 -0.099 0.000 0.851 549 N CB 1.806 40.224 38.487 -0.115 0.000 1.234 549 N HN 0.121 nan 8.380 nan 0.000 0.491 550 P HA 0.084 nan 4.420 nan 0.000 0.268 550 P C 0.111 177.392 177.300 -0.032 0.000 1.204 550 P CA -0.041 63.038 63.100 -0.034 0.000 0.768 550 P CB 1.010 32.703 31.700 -0.012 0.000 0.842 551 A N 0.000 122.801 122.820 -0.032 0.000 2.254 551 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 551 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 551 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 551 A HN 0.000 nan 8.150 nan 0.000 0.486