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 2wze_1_A 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 XXXXXXYAAN 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 0.000 176.306 176.300 0.010 0.000 2.045 33 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 33 D CB 0.000 40.790 40.800 -0.016 0.000 0.688 34 Y N 2.016 122.315 120.300 -0.002 0.000 2.712 34 Y HA 0.148 4.698 4.550 -0.000 0.000 0.333 34 Y C 0.771 176.682 175.900 0.018 0.000 1.225 34 Y CA 1.003 59.109 58.100 0.010 0.000 1.499 34 Y CB 0.482 38.957 38.460 0.024 0.000 1.288 34 Y HN -0.010 nan 8.280 nan 0.000 0.575 35 E N 3.338 123.658 120.200 0.201 0.000 2.134 35 E HA 0.280 4.630 4.350 -0.000 0.000 0.278 35 E C 0.129 176.831 176.600 0.170 0.000 0.959 35 E CA -0.409 56.066 56.400 0.126 0.000 0.783 35 E CB 0.939 30.647 29.700 0.014 0.000 1.095 35 E HN 0.628 nan 8.360 nan 0.000 0.399 36 V N 1.991 121.992 119.914 0.145 0.000 2.949 36 V HA 0.250 4.369 4.120 -0.000 0.000 0.245 36 V C 0.451 176.536 176.094 -0.014 0.000 1.086 36 V CA 0.062 62.435 62.300 0.121 0.000 1.097 36 V CB 0.597 32.534 31.823 0.190 0.000 0.762 36 V HN 0.308 nan 8.190 nan 0.000 0.470 37 V N 1.111 121.019 119.914 -0.009 0.000 2.735 37 V HA 0.557 4.677 4.120 -0.000 0.000 0.310 37 V C -1.023 175.127 176.094 0.093 0.000 1.061 37 V CA -0.489 61.773 62.300 -0.063 0.000 0.913 37 V CB 1.667 33.472 31.823 -0.031 0.000 1.005 37 V HN 0.637 nan 8.190 nan 0.000 0.428 38 H N 2.731 121.758 119.070 -0.071 0.000 2.852 38 H HA 0.306 4.862 4.556 -0.000 0.000 0.274 38 H C -1.508 173.761 175.328 -0.098 0.000 1.321 38 H CA -0.677 55.343 56.048 -0.047 0.000 1.582 38 H CB 0.910 30.644 29.762 -0.048 0.000 1.699 38 H HN 0.650 nan 8.280 nan 0.000 0.546 39 D N 3.461 123.763 120.400 -0.164 0.000 2.280 39 D HA 0.103 4.743 4.640 -0.000 0.000 0.243 39 D C 0.514 176.389 176.300 -0.708 0.000 1.129 39 D CA 0.021 53.749 54.000 -0.453 0.000 0.848 39 D CB 1.795 42.358 40.800 -0.394 0.000 1.107 39 D HN 0.589 nan 8.370 nan 0.000 0.471 40 T N -0.289 113.832 114.554 -0.721 0.000 3.630 40 T HA 0.194 4.544 4.350 -0.000 0.000 0.238 40 T C 0.442 174.926 174.700 -0.361 0.000 1.195 40 T CA -0.753 61.034 62.100 -0.521 0.000 1.433 40 T CB -1.260 67.317 68.868 -0.485 0.000 0.940 40 T HN 0.126 nan 8.240 nan 0.000 0.641 41 F N 1.908 121.728 119.950 -0.216 0.000 2.104 41 F HA -0.096 4.431 4.527 -0.000 0.000 0.352 41 F C 1.657 177.373 175.800 -0.140 0.000 1.313 41 F CA -0.080 57.811 58.000 -0.181 0.000 1.398 41 F CB -0.912 37.909 39.000 -0.298 0.000 1.555 41 F HN 0.404 nan 8.300 nan 0.000 0.679 42 E N -0.080 120.103 120.200 -0.028 0.000 2.152 42 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 42 E C 2.092 178.696 176.600 0.006 0.000 0.983 42 E CA 0.938 57.324 56.400 -0.024 0.000 0.818 42 E CB -0.105 29.560 29.700 -0.059 0.000 0.758 42 E HN 0.473 nan 8.360 nan 0.000 0.467 43 V N 0.112 120.037 119.914 0.018 0.000 2.950 43 V HA 0.121 4.241 4.120 -0.000 0.000 0.231 43 V C 0.635 176.766 176.094 0.063 0.000 1.205 43 V CA 0.178 62.498 62.300 0.035 0.000 1.239 43 V CB 0.060 31.898 31.823 0.025 0.000 1.050 43 V HN 0.054 nan 8.190 nan 0.000 0.498 44 N N -0.609 118.136 118.700 0.075 0.000 2.531 44 N HA 0.410 5.150 4.740 -0.000 0.000 0.290 44 N C -0.190 175.451 175.510 0.217 0.000 1.257 44 N CA -0.643 52.437 53.050 0.050 0.000 0.863 44 N CB 1.100 39.637 38.487 0.083 0.000 1.320 44 N HN 0.017 nan 8.380 nan 0.000 0.538 45 F N 0.860 120.647 119.950 -0.271 0.000 2.802 45 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 45 F C 0.235 176.244 175.800 0.348 0.000 1.168 45 F CA -0.167 57.860 58.000 0.044 0.000 1.433 45 F CB -0.844 38.076 39.000 -0.134 0.000 1.115 45 F HN 0.318 nan 8.300 nan 0.000 0.582 46 D N 0.029 120.684 120.400 0.425 0.000 2.737 46 D HA -0.208 4.431 4.640 -0.000 0.000 0.233 46 D C 1.600 178.228 176.300 0.547 0.000 1.155 46 D CA 1.197 55.436 54.000 0.398 0.000 0.667 46 D CB -1.581 39.258 40.800 0.065 0.000 1.060 46 D HN 0.538 nan 8.370 nan 0.000 0.427 47 G N -2.122 107.042 108.800 0.607 0.000 2.136 47 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 47 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 47 G C -0.068 174.947 174.900 0.193 0.000 0.989 47 G CA 0.122 45.455 45.100 0.389 0.000 0.682 47 G HN 0.307 nan 8.290 nan 0.000 0.522 48 W N -0.145 121.359 121.300 0.341 0.000 2.417 48 W HA 0.677 5.336 4.660 -0.000 0.000 0.317 48 W C 0.665 177.238 176.519 0.089 0.000 1.121 48 W CA -0.797 56.684 57.345 0.227 0.000 1.208 48 W CB 1.073 30.779 29.460 0.410 0.000 1.253 48 W HN 0.252 nan 8.180 nan 0.000 0.533 49 C N 3.388 122.650 119.300 -0.062 0.000 2.667 49 C HA 0.415 4.875 4.460 -0.000 0.000 0.323 49 C C 0.152 175.071 174.990 -0.117 0.000 1.214 49 C CA -1.267 57.608 59.018 -0.240 0.000 1.721 49 C CB 1.139 28.405 27.740 -0.790 0.000 2.275 49 C HN 0.660 nan 8.230 nan 0.000 0.491 50 N N 1.759 120.479 118.700 0.033 0.000 2.475 50 N HA 0.137 4.877 4.740 -0.000 0.000 0.267 50 N C -1.033 174.641 175.510 0.273 0.000 1.169 50 N CA 0.053 53.184 53.050 0.134 0.000 0.947 50 N CB 0.771 39.329 38.487 0.118 0.000 1.061 50 N HN 0.752 nan 8.380 nan 0.000 0.466 51 L N 2.115 123.538 121.223 0.334 0.000 2.278 51 L HA 0.409 4.749 4.340 -0.000 0.000 0.287 51 L C 0.515 177.497 176.870 0.186 0.000 1.072 51 L CA 0.146 55.194 54.840 0.347 0.000 0.819 51 L CB -0.067 42.174 42.059 0.304 0.000 1.176 51 L HN 0.992 nan 8.230 nan 0.000 0.435 52 G N 2.758 111.647 108.800 0.148 0.000 3.233 52 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 52 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 52 G C -0.001 174.958 174.900 0.098 0.000 1.153 52 G CA -0.355 44.800 45.100 0.093 0.000 0.853 52 G HN 0.519 nan 8.290 nan 0.000 0.582 53 V N 0.785 120.741 119.914 0.070 0.000 2.867 53 V HA -0.029 4.091 4.120 -0.000 0.000 0.260 53 V C 1.747 177.882 176.094 0.068 0.000 1.099 53 V CA 2.898 65.238 62.300 0.067 0.000 1.122 53 V CB -0.060 31.783 31.823 0.035 0.000 0.708 53 V HN 0.716 nan 8.190 nan 0.000 0.490 54 D N -1.326 119.112 120.400 0.063 0.000 2.454 54 D HA 0.135 4.775 4.640 -0.000 0.000 0.214 54 D C 0.941 177.297 176.300 0.093 0.000 1.088 54 D CA 0.283 54.320 54.000 0.062 0.000 0.855 54 D CB 0.187 41.003 40.800 0.027 0.000 1.025 54 D HN 0.378 nan 8.370 nan 0.000 0.502 55 T N 0.954 115.567 114.554 0.098 0.000 2.946 55 T HA -0.080 4.270 4.350 -0.000 0.000 0.312 55 T C -0.323 174.482 174.700 0.174 0.000 1.066 55 T CA 0.486 62.652 62.100 0.110 0.000 1.138 55 T CB 0.384 69.310 68.868 0.098 0.000 1.014 55 T HN -0.008 nan 8.240 nan 0.000 0.544 56 Y N 2.732 123.039 120.300 0.011 0.000 2.364 56 Y HA 0.530 5.080 4.550 -0.000 0.000 0.340 56 Y C -1.182 174.719 175.900 0.001 0.000 0.975 56 Y CA -1.536 56.577 58.100 0.021 0.000 1.089 56 Y CB 0.848 39.315 38.460 0.011 0.000 1.192 56 Y HN 0.407 nan 8.280 nan 0.000 0.454 57 L N 4.887 125.835 121.223 -0.458 0.000 2.295 57 L HA 0.584 4.924 4.340 -0.000 0.000 0.285 57 L C -0.143 176.383 176.870 -0.572 0.000 1.035 57 L CA -0.145 54.447 54.840 -0.413 0.000 0.806 57 L CB 1.758 43.670 42.059 -0.245 0.000 1.214 57 L HN 0.719 nan 8.230 nan 0.000 0.426 58 T N 2.825 117.125 114.554 -0.423 0.000 2.991 58 T HA 0.779 5.129 4.350 -0.000 0.000 0.303 58 T C -0.988 173.516 174.700 -0.326 0.000 1.015 58 T CA -0.511 61.450 62.100 -0.232 0.000 1.007 58 T CB 1.031 69.917 68.868 0.031 0.000 1.034 58 T HN 0.689 nan 8.240 nan 0.000 0.446 59 A N 4.022 126.671 122.820 -0.285 0.000 2.276 59 A HA 0.689 5.009 4.320 -0.000 0.000 0.300 59 A C 0.105 177.627 177.584 -0.103 0.000 1.235 59 A CA -0.534 51.319 52.037 -0.307 0.000 0.867 59 A CB -0.008 18.838 19.000 -0.257 0.000 1.137 59 A HN 1.304 nan 8.150 nan 0.000 0.527 60 V N 1.056 120.900 119.914 -0.118 0.000 2.487 60 V HA 0.506 4.626 4.120 -0.000 0.000 0.298 60 V C -0.093 175.982 176.094 -0.031 0.000 1.028 60 V CA -1.102 61.171 62.300 -0.045 0.000 0.860 60 V CB 1.391 33.197 31.823 -0.027 0.000 0.991 60 V HN 0.815 nan 8.190 nan 0.000 0.427 61 E N 3.109 123.302 120.200 -0.011 0.000 2.534 61 E HA -0.051 4.299 4.350 -0.000 0.000 0.264 61 E C 0.870 177.471 176.600 0.003 0.000 0.981 61 E CA 1.388 57.784 56.400 -0.006 0.000 0.948 61 E CB 0.061 29.762 29.700 0.002 0.000 0.934 61 E HN 1.036 nan 8.360 nan 0.000 0.459 62 N N 1.118 119.819 118.700 0.001 0.000 2.889 62 N HA -0.242 4.498 4.740 -0.000 0.000 0.234 62 N C 0.418 175.964 175.510 0.059 0.000 0.915 62 N CA 1.332 54.393 53.050 0.017 0.000 1.025 62 N CB -0.514 37.984 38.487 0.018 0.000 1.073 62 N HN 0.439 nan 8.380 nan 0.000 0.613 63 E N 0.490 120.729 120.200 0.066 0.000 2.489 63 E HA 0.137 4.487 4.350 -0.000 0.000 0.193 63 E C 1.286 178.065 176.600 0.299 0.000 1.057 63 E CA 0.586 57.071 56.400 0.142 0.000 0.866 63 E CB -0.121 29.623 29.700 0.073 0.000 0.916 63 E HN 0.516 nan 8.360 nan 0.000 0.500 64 G N 1.274 110.151 108.800 0.128 0.000 2.507 64 G HA2 0.064 4.024 3.960 -0.000 0.000 0.271 64 G HA3 0.064 4.024 3.960 -0.000 0.000 0.271 64 G C 0.207 174.864 174.900 -0.405 0.000 1.189 64 G CA -0.542 44.534 45.100 -0.041 0.000 0.859 64 G HN 0.018 nan 8.290 nan 0.000 0.542 65 N N 0.832 118.718 118.700 -1.356 0.000 2.225 65 N HA -0.136 4.604 4.740 -0.000 0.000 0.257 65 N C 0.836 175.894 175.510 -0.753 0.000 1.252 65 N CA 0.658 52.672 53.050 -1.726 0.000 0.833 65 N CB 0.036 37.642 38.487 -1.469 0.000 1.068 65 N HN 0.536 nan 8.380 nan 0.000 0.468 66 N N 1.921 120.298 118.700 -0.537 0.000 2.725 66 N HA -0.199 4.540 4.740 -0.000 0.000 0.249 66 N C 0.709 176.122 175.510 -0.161 0.000 1.103 66 N CA 1.256 54.146 53.050 -0.266 0.000 0.707 66 N CB -1.625 36.703 38.487 -0.265 0.000 1.043 66 N HN 0.920 nan 8.380 nan 0.000 0.553 67 G N -1.715 107.021 108.800 -0.108 0.000 2.184 67 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.264 67 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.264 67 G C 0.519 175.379 174.900 -0.065 0.000 0.975 67 G CA 1.729 46.803 45.100 -0.043 0.000 0.642 67 G HN 1.056 nan 8.290 nan 0.000 0.536 68 T N -2.304 112.175 114.554 -0.126 0.000 2.793 68 T HA 0.575 4.924 4.350 -0.000 0.000 0.299 68 T C 0.623 175.271 174.700 -0.087 0.000 1.038 68 T CA 0.147 62.177 62.100 -0.118 0.000 0.948 68 T CB 1.258 70.023 68.868 -0.172 0.000 1.231 68 T HN 0.560 nan 8.240 nan 0.000 0.538 69 R N -0.506 119.949 120.500 -0.074 0.000 2.490 69 R HA 0.542 4.882 4.340 -0.000 0.000 0.280 69 R C 0.296 176.549 176.300 -0.079 0.000 1.077 69 R CA 0.048 56.114 56.100 -0.056 0.000 1.065 69 R CB 0.059 30.340 30.300 -0.031 0.000 1.003 69 R HN 0.942 nan 8.270 nan 0.000 0.470 74 I N 1.127 121.637 120.570 -0.100 0.000 3.206 74 I HA 0.774 4.944 4.170 -0.000 0.000 0.313 74 I C 0.671 176.805 176.117 0.028 0.000 1.103 74 I CA -0.688 60.601 61.300 -0.018 0.000 0.985 74 I CB 2.245 40.270 38.000 0.041 0.000 1.240 74 I HN 0.650 nan 8.210 nan 0.000 0.464 75 N N 0.993 119.708 118.700 0.025 0.000 2.741 75 N HA -0.188 4.551 4.740 -0.000 0.000 0.251 75 N C -0.681 174.846 175.510 0.029 0.000 1.112 75 N CA 0.882 53.949 53.050 0.028 0.000 0.750 75 N CB -0.814 37.698 38.487 0.042 0.000 1.119 75 N HN 0.725 nan 8.380 nan 0.000 0.561 76 R N -0.323 120.192 120.500 0.025 0.000 2.784 76 R HA 0.266 4.606 4.340 -0.000 0.000 0.266 76 R C 0.928 177.240 176.300 0.019 0.000 1.044 76 R CA 0.791 56.910 56.100 0.032 0.000 1.151 76 R CB 0.399 30.727 30.300 0.046 0.000 1.037 76 R HN 0.468 nan 8.270 nan 0.000 0.478 77 S N -1.842 113.867 115.700 0.017 0.000 3.009 77 S HA 0.149 4.619 4.470 -0.000 0.000 0.254 77 S C -0.449 174.151 174.600 -0.001 0.000 1.004 77 S CA -0.340 57.862 58.200 0.004 0.000 1.119 77 S CB 0.305 63.506 63.200 0.002 0.000 1.075 77 S HN 0.685 nan 8.310 nan 0.000 0.618 78 S N -0.435 115.266 115.700 0.001 0.000 2.580 78 S HA 0.705 5.175 4.470 -0.000 0.000 0.281 78 S C 0.696 175.289 174.600 -0.012 0.000 1.129 78 S CA -0.364 57.830 58.200 -0.010 0.000 0.862 78 S CB 0.702 63.895 63.200 -0.011 0.000 1.090 78 S HN 0.848 nan 8.310 nan 0.000 0.451 79 A N 1.825 124.628 122.820 -0.030 0.000 2.148 79 A HA -0.046 4.274 4.320 -0.000 0.000 0.222 79 A C 2.111 179.673 177.584 -0.037 0.000 1.161 79 A CA 2.302 54.310 52.037 -0.047 0.000 0.662 79 A CB -1.261 17.701 19.000 -0.064 0.000 0.799 79 A HN 1.737 nan 8.150 nan 0.000 0.466 80 S N -0.818 114.869 115.700 -0.021 0.000 2.478 80 S HA 0.054 4.524 4.470 -0.000 0.000 0.222 80 S C 0.309 174.921 174.600 0.020 0.000 1.008 80 S CA 0.027 58.219 58.200 -0.013 0.000 0.928 80 S CB -0.250 62.937 63.200 -0.023 0.000 0.781 80 S HN 0.410 nan 8.310 nan 0.000 0.518 81 D N 1.567 121.987 120.400 0.034 0.000 2.378 81 D HA 0.596 5.236 4.640 -0.000 0.000 0.238 81 D C 0.816 177.187 176.300 0.118 0.000 1.180 81 D CA 1.536 55.578 54.000 0.070 0.000 0.895 81 D CB 0.716 41.550 40.800 0.057 0.000 1.192 81 D HN 0.493 nan 8.370 nan 0.000 0.438 82 G N -1.168 107.727 108.800 0.157 0.000 2.491 82 G HA2 0.527 4.487 3.960 -0.000 0.000 0.183 82 G HA3 0.527 4.487 3.960 -0.000 0.000 0.183 82 G C -1.775 173.270 174.900 0.242 0.000 1.221 82 G CA 0.032 45.277 45.100 0.241 0.000 0.996 82 G HN 0.722 nan 8.290 nan 0.000 0.474 83 A N -0.882 122.129 122.820 0.319 0.000 2.454 83 A HA 0.980 5.300 4.320 -0.000 0.000 0.302 83 A C -0.950 176.942 177.584 0.513 0.000 1.079 83 A CA -0.104 52.149 52.037 0.361 0.000 0.731 83 A CB 1.488 20.676 19.000 0.314 0.000 1.299 83 A HN 2.235 nan 8.150 nan 0.000 0.413 84 Y N -0.809 119.690 120.300 0.331 0.000 2.615 84 Y HA 0.845 5.394 4.550 -0.000 0.000 0.341 84 Y C -0.539 175.139 175.900 -0.370 0.000 1.089 84 Y CA -0.848 57.266 58.100 0.022 0.000 1.049 84 Y CB 1.499 39.956 38.460 -0.005 0.000 1.296 84 Y HN 0.937 nan 8.280 nan 0.000 0.470 85 S N 1.592 116.952 115.700 -0.567 0.000 2.689 85 S HA 0.195 4.665 4.470 -0.000 0.000 0.274 85 S C -1.660 172.821 174.600 -0.198 0.000 1.176 85 S CA -0.693 57.096 58.200 -0.685 0.000 1.014 85 S CB 0.923 63.075 63.200 -1.748 0.000 1.071 85 S HN 0.851 nan 8.310 nan 0.000 0.478 86 E N 3.494 123.709 120.200 0.024 0.000 2.351 86 E HA 0.119 4.469 4.350 -0.000 0.000 0.266 86 E C -0.244 176.397 176.600 0.068 0.000 1.031 86 E CA 0.024 56.462 56.400 0.063 0.000 0.911 86 E CB 0.407 30.159 29.700 0.085 0.000 0.986 86 E HN 0.457 nan 8.360 nan 0.000 0.446 87 K N 3.406 123.861 120.400 0.092 0.000 2.726 87 K HA 0.142 4.462 4.320 -0.000 0.000 0.209 87 K C 1.074 177.732 176.600 0.096 0.000 1.082 87 K CA 0.007 56.420 56.287 0.211 0.000 1.081 87 K CB 1.024 33.688 32.500 0.273 0.000 0.830 87 K HN 0.647 nan 8.250 nan 0.000 0.470 88 G N 0.576 109.355 108.800 -0.034 0.000 2.450 88 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.220 88 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.220 88 G C 1.209 175.957 174.900 -0.253 0.000 1.130 88 G CA 0.384 45.403 45.100 -0.135 0.000 0.760 88 G HN 0.197 nan 8.290 nan 0.000 0.557 89 F N 0.003 119.668 119.950 -0.474 0.000 2.184 89 F HA -0.082 4.445 4.527 -0.000 0.000 0.301 89 F C 1.994 177.351 175.800 -0.739 0.000 1.076 89 F CA 1.047 58.568 58.000 -0.798 0.000 1.295 89 F CB -0.151 38.014 39.000 -1.392 0.000 1.026 89 F HN 0.280 nan 8.300 nan 0.000 0.494 90 Y N -2.634 117.767 120.300 0.169 0.000 2.467 90 Y HA 0.332 4.882 4.550 -0.000 0.000 0.259 90 Y C -0.084 175.830 175.900 0.024 0.000 1.084 90 Y CA -0.661 57.498 58.100 0.099 0.000 1.275 90 Y CB 0.151 38.663 38.460 0.087 0.000 1.208 90 Y HN -0.355 nan 8.280 nan 0.000 0.511 91 L N 1.942 123.207 121.223 0.071 0.000 2.325 91 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 91 L C -0.832 176.080 176.870 0.071 0.000 1.004 91 L CA -1.200 53.597 54.840 -0.071 0.000 0.823 91 L CB 1.073 42.989 42.059 -0.240 0.000 1.236 91 L HN -0.001 nan 8.230 nan 0.000 0.415 92 D N 1.617 122.147 120.400 0.217 0.000 2.225 92 D HA 0.433 5.073 4.640 -0.000 0.000 0.249 92 D C 0.574 176.972 176.300 0.163 0.000 1.052 92 D CA -0.311 53.778 54.000 0.149 0.000 0.909 92 D CB 1.650 42.519 40.800 0.114 0.000 1.186 92 D HN 0.599 nan 8.370 nan 0.000 0.431 93 G N -0.765 108.066 108.800 0.052 0.000 2.491 93 G HA2 0.356 4.316 3.960 -0.000 0.000 0.238 93 G HA3 0.356 4.316 3.960 -0.000 0.000 0.238 93 G C 1.112 176.006 174.900 -0.012 0.000 1.277 93 G CA 0.114 45.208 45.100 -0.011 0.000 0.851 93 G HN 0.740 nan 8.290 nan 0.000 0.573 94 G N -0.574 108.195 108.800 -0.051 0.000 2.212 94 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.266 94 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.266 94 G C 0.382 175.238 174.900 -0.072 0.000 0.978 94 G CA 0.571 45.629 45.100 -0.069 0.000 0.632 94 G HN 1.292 nan 8.290 nan 0.000 0.537 95 V N 0.911 120.801 119.914 -0.040 0.000 2.481 95 V HA 0.513 4.633 4.120 -0.000 0.000 0.286 95 V C 0.593 176.561 176.094 -0.210 0.000 1.042 95 V CA -0.624 61.578 62.300 -0.164 0.000 0.928 95 V CB 1.845 33.520 31.823 -0.248 0.000 0.986 95 V HN 0.403 nan 8.190 nan 0.000 0.462 96 E N 2.837 122.857 120.200 -0.300 0.000 2.289 96 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 96 E C -1.708 174.654 176.600 -0.396 0.000 1.032 96 E CA -0.260 56.018 56.400 -0.204 0.000 0.854 96 E CB 0.701 30.329 29.700 -0.120 0.000 1.046 96 E HN 0.615 nan 8.360 nan 0.000 0.409 97 Y N 2.055 122.381 120.300 0.043 0.000 2.545 97 Y HA 0.285 4.835 4.550 -0.000 0.000 0.348 97 Y C -0.158 175.729 175.900 -0.022 0.000 1.002 97 Y CA -1.024 57.027 58.100 -0.081 0.000 1.039 97 Y CB 1.673 39.916 38.460 -0.360 0.000 1.271 97 Y HN 0.357 nan 8.280 nan 0.000 0.467 98 K N 2.310 122.776 120.400 0.110 0.000 2.234 98 K HA 0.395 4.715 4.320 -0.000 0.000 0.277 98 K C -1.903 174.745 176.600 0.081 0.000 1.038 98 K CA -0.312 56.061 56.287 0.142 0.000 0.888 98 K CB 0.394 32.959 32.500 0.109 0.000 1.091 98 K HN 0.654 nan 8.250 nan 0.000 0.467 99 Y N 1.662 122.077 120.300 0.191 0.000 2.330 99 Y HA 0.307 4.857 4.550 -0.000 0.000 0.336 99 Y C 0.243 176.226 175.900 0.139 0.000 1.036 99 Y CA -0.391 57.815 58.100 0.177 0.000 1.125 99 Y CB 2.157 40.719 38.460 0.171 0.000 1.194 99 Y HN 0.542 nan 8.280 nan 0.000 0.469 100 S N 2.921 118.792 115.700 0.285 0.000 2.603 100 S HA 0.787 5.257 4.470 -0.000 0.000 0.274 100 S C -1.926 172.808 174.600 0.223 0.000 1.168 100 S CA -0.536 57.778 58.200 0.190 0.000 0.963 100 S CB 0.702 63.988 63.200 0.144 0.000 1.078 100 S HN 0.402 nan 8.310 nan 0.000 0.477 101 V N 4.570 124.578 119.914 0.158 0.000 2.760 101 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 101 V C -1.201 174.981 176.094 0.147 0.000 1.077 101 V CA -0.741 61.698 62.300 0.233 0.000 0.910 101 V CB 1.714 33.659 31.823 0.204 0.000 1.008 101 V HN 0.863 nan 8.190 nan 0.000 0.424 102 F N 3.816 123.864 119.950 0.163 0.000 2.411 102 F HA 0.681 5.208 4.527 -0.000 0.000 0.350 102 F C 0.359 176.376 175.800 0.362 0.000 1.114 102 F CA -0.373 57.746 58.000 0.200 0.000 1.135 102 F CB 1.768 40.840 39.000 0.120 0.000 1.120 102 F HN 0.417 nan 8.300 nan 0.000 0.495 103 V N 1.008 121.129 119.914 0.345 0.000 3.074 103 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 103 V C -1.044 174.991 176.094 -0.098 0.000 1.117 103 V CA -1.058 61.332 62.300 0.151 0.000 1.014 103 V CB 2.096 33.648 31.823 -0.451 0.000 1.057 103 V HN 0.759 nan 8.190 nan 0.000 0.438 104 K N 1.476 121.695 120.400 -0.301 0.000 2.557 104 K HA 0.592 4.912 4.320 -0.000 0.000 0.257 104 K C -1.635 174.897 176.600 -0.114 0.000 0.933 104 K CA -0.545 55.422 56.287 -0.533 0.000 0.820 104 K CB 1.977 33.565 32.500 -1.520 0.000 1.330 104 K HN 1.305 nan 8.250 nan 0.000 0.432 105 H N -0.120 118.912 119.070 -0.064 0.000 2.821 105 H HA 0.477 5.033 4.556 -0.000 0.000 0.373 105 H C -1.219 174.099 175.328 -0.017 0.000 1.165 105 H CA -0.921 55.170 56.048 0.072 0.000 1.154 105 H CB 1.597 31.495 29.762 0.226 0.000 1.765 105 H HN 0.565 nan 8.280 nan 0.000 0.549 106 N N 1.140 119.854 118.700 0.024 0.000 2.699 106 N HA 0.290 5.030 4.740 -0.000 0.000 0.317 106 N C -0.087 175.468 175.510 0.075 0.000 1.661 106 N CA -0.137 52.885 53.050 -0.046 0.000 0.979 106 N CB 1.216 39.673 38.487 -0.050 0.000 1.329 106 N HN 0.797 nan 8.380 nan 0.000 0.497 107 G N -0.926 108.025 108.800 0.251 0.000 2.945 107 G HA2 0.346 4.306 3.960 -0.000 0.000 0.156 107 G HA3 0.346 4.306 3.960 -0.000 0.000 0.156 107 G C -0.548 174.434 174.900 0.138 0.000 1.375 107 G CA -0.130 45.089 45.100 0.198 0.000 1.039 107 G HN 0.140 nan 8.290 nan 0.000 0.586 108 T N -1.288 113.342 114.554 0.128 0.000 2.861 108 T HA 0.582 4.932 4.350 -0.000 0.000 0.287 108 T C 0.374 175.138 174.700 0.106 0.000 1.003 108 T CA 1.265 63.419 62.100 0.090 0.000 0.977 108 T CB 0.524 69.420 68.868 0.046 0.000 0.996 108 T HN 2.196 nan 8.240 nan 0.000 0.448 109 G N 3.167 112.025 108.800 0.098 0.000 2.697 109 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.240 109 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.240 109 G C -0.149 174.835 174.900 0.140 0.000 1.346 109 G CA -0.251 44.901 45.100 0.087 0.000 0.887 109 G HN 1.000 nan 8.290 nan 0.000 0.569 110 T N 1.891 116.494 114.554 0.083 0.000 2.897 110 T HA 0.532 4.882 4.350 -0.000 0.000 0.294 110 T C 0.003 174.690 174.700 -0.022 0.000 1.004 110 T CA -0.024 62.122 62.100 0.077 0.000 1.106 110 T CB 1.331 70.228 68.868 0.049 0.000 0.949 110 T HN 0.515 nan 8.240 nan 0.000 0.520 111 E N 1.967 122.119 120.200 -0.080 0.000 2.199 111 E HA 0.324 4.674 4.350 -0.000 0.000 0.269 111 E C -0.546 176.015 176.600 -0.065 0.000 0.899 111 E CA -0.597 55.679 56.400 -0.206 0.000 0.772 111 E CB 1.776 31.171 29.700 -0.509 0.000 1.155 111 E HN 0.485 nan 8.360 nan 0.000 0.408 112 T N 3.180 117.653 114.554 -0.135 0.000 2.723 112 T HA 0.335 4.685 4.350 -0.000 0.000 0.297 112 T C -0.009 174.592 174.700 -0.165 0.000 0.925 112 T CA -0.256 61.800 62.100 -0.073 0.000 1.030 112 T CB -0.338 68.485 68.868 -0.075 0.000 0.905 112 T HN 0.122 nan 8.240 nan 0.000 0.502 113 F N 2.648 122.508 119.950 -0.150 0.000 2.384 113 F HA 0.443 4.970 4.527 -0.000 0.000 0.338 113 F C 1.031 176.745 175.800 -0.143 0.000 1.103 113 F CA -0.578 57.309 58.000 -0.189 0.000 1.157 113 F CB 1.084 39.965 39.000 -0.198 0.000 1.167 113 F HN 0.239 nan 8.300 nan 0.000 0.529 114 K N 3.929 124.315 120.400 -0.023 0.000 2.426 114 K HA 0.497 4.817 4.320 -0.000 0.000 0.254 114 K C -1.253 175.335 176.600 -0.020 0.000 0.936 114 K CA -0.644 55.623 56.287 -0.033 0.000 0.801 114 K CB 2.078 34.531 32.500 -0.077 0.000 1.139 114 K HN 0.488 nan 8.250 nan 0.000 0.424 115 L N 1.882 123.096 121.223 -0.015 0.000 2.289 115 L HA 0.379 4.719 4.340 -0.000 0.000 0.285 115 L C -0.206 176.608 176.870 -0.094 0.000 1.049 115 L CA -0.326 54.498 54.840 -0.027 0.000 0.804 115 L CB 1.763 43.813 42.059 -0.015 0.000 1.195 115 L HN 0.575 nan 8.230 nan 0.000 0.428 116 S N 1.801 117.438 115.700 -0.105 0.000 2.526 116 S HA 0.648 5.118 4.470 -0.000 0.000 0.293 116 S C -0.735 173.738 174.600 -0.211 0.000 1.092 116 S CA -0.479 57.621 58.200 -0.167 0.000 0.980 116 S CB 2.327 65.454 63.200 -0.122 0.000 1.048 116 S HN 0.232 nan 8.310 nan 0.000 0.483 117 V N 2.709 122.438 119.914 -0.308 0.000 2.495 117 V HA 0.603 4.723 4.120 -0.000 0.000 0.298 117 V C -0.137 175.846 176.094 -0.185 0.000 1.031 117 V CA -0.499 61.634 62.300 -0.277 0.000 0.871 117 V CB 1.823 33.375 31.823 -0.452 0.000 0.988 117 V HN 0.817 nan 8.190 nan 0.000 0.432 118 S N 3.361 118.997 115.700 -0.108 0.000 2.503 118 S HA 0.855 5.325 4.470 -0.000 0.000 0.301 118 S C -1.088 173.503 174.600 -0.014 0.000 1.087 118 S CA -0.506 57.602 58.200 -0.153 0.000 1.042 118 S CB 1.414 64.517 63.200 -0.161 0.000 1.043 118 S HN 0.715 nan 8.310 nan 0.000 0.489 119 Y N 0.532 120.824 120.300 -0.014 0.000 2.805 119 Y HA 0.843 5.393 4.550 -0.000 0.000 0.323 119 Y C -1.268 174.625 175.900 -0.012 0.000 1.279 119 Y CA -1.595 56.506 58.100 0.002 0.000 1.103 119 Y CB 0.721 39.207 38.460 0.043 0.000 1.324 119 Y HN 0.518 nan 8.280 nan 0.000 0.498 120 L N 1.725 123.095 121.223 0.245 0.000 2.362 120 L HA 0.485 4.825 4.340 -0.000 0.000 0.275 120 L C -1.080 175.966 176.870 0.294 0.000 0.998 120 L CA -0.591 54.340 54.840 0.153 0.000 0.820 120 L CB 1.583 43.673 42.059 0.053 0.000 1.270 120 L HN 0.764 nan 8.230 nan 0.000 0.415 121 D N 2.375 122.936 120.400 0.268 0.000 2.338 121 D HA 0.060 4.700 4.640 -0.000 0.000 0.255 121 D C 0.939 177.298 176.300 0.099 0.000 1.237 121 D CA 0.226 54.359 54.000 0.221 0.000 0.883 121 D CB 1.491 42.422 40.800 0.219 0.000 1.087 121 D HN 0.707 nan 8.370 nan 0.000 0.485 122 S N 2.501 118.237 115.700 0.060 0.000 2.595 122 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 122 S C 1.094 175.707 174.600 0.021 0.000 0.974 122 S CA 0.397 58.614 58.200 0.028 0.000 0.942 122 S CB 0.393 63.597 63.200 0.007 0.000 0.766 122 S HN 0.405 nan 8.310 nan 0.000 0.536 123 E N 1.806 122.025 120.200 0.030 0.000 2.225 123 E HA 0.076 4.426 4.350 -0.000 0.000 0.202 123 E C 2.242 178.858 176.600 0.028 0.000 0.987 123 E CA 1.185 57.600 56.400 0.024 0.000 1.010 123 E CB -0.595 29.118 29.700 0.022 0.000 1.464 123 E HN 0.534 nan 8.360 nan 0.000 0.508 124 T N -0.121 114.455 114.554 0.038 0.000 2.946 124 T HA -0.150 4.199 4.350 -0.000 0.000 0.271 124 T C 0.223 174.940 174.700 0.027 0.000 1.104 124 T CA 1.149 63.268 62.100 0.033 0.000 1.114 124 T CB -0.278 68.615 68.868 0.041 0.000 0.867 124 T HN 0.178 nan 8.240 nan 0.000 0.513 125 E N 1.143 121.363 120.200 0.033 0.000 2.883 125 E HA -0.179 4.171 4.350 -0.000 0.000 0.271 125 E C 0.011 176.616 176.600 0.009 0.000 1.049 125 E CA 1.362 57.775 56.400 0.021 0.000 0.817 125 E CB -2.029 27.678 29.700 0.012 0.000 1.407 125 E HN 1.029 nan 8.360 nan 0.000 0.434 126 E N 0.170 120.376 120.200 0.010 0.000 2.202 126 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 126 E C -0.149 176.416 176.600 -0.057 0.000 0.951 126 E CA -0.816 55.571 56.400 -0.021 0.000 0.813 126 E CB 1.559 31.247 29.700 -0.020 0.000 1.151 126 E HN -0.149 nan 8.360 nan 0.000 0.398 127 E N 2.479 122.622 120.200 -0.096 0.000 2.105 127 E HA 0.160 4.510 4.350 -0.000 0.000 0.285 127 E C -1.108 175.351 176.600 -0.236 0.000 1.055 127 E CA -0.420 55.878 56.400 -0.170 0.000 0.843 127 E CB 0.794 30.409 29.700 -0.142 0.000 1.067 127 E HN 0.401 nan 8.360 nan 0.000 0.398 128 N N 2.694 121.140 118.700 -0.423 0.000 2.400 128 N HA 0.226 4.966 4.740 -0.000 0.000 0.288 128 N C -0.811 174.421 175.510 -0.463 0.000 1.024 128 N CA -0.649 52.153 53.050 -0.413 0.000 0.894 128 N CB 1.174 39.419 38.487 -0.403 0.000 1.173 128 N HN 0.210 nan 8.380 nan 0.000 0.487 129 K N 0.256 120.491 120.400 -0.275 0.000 2.535 129 K HA 0.414 4.733 4.320 -0.000 0.000 0.253 129 K C -1.116 175.378 176.600 -0.177 0.000 0.953 129 K CA -0.716 55.431 56.287 -0.233 0.000 0.863 129 K CB 1.634 34.023 32.500 -0.187 0.000 1.111 129 K HN 0.416 nan 8.250 nan 0.000 0.431 130 E N 2.793 122.879 120.200 -0.190 0.000 2.133 130 E HA 0.146 4.496 4.350 -0.000 0.000 0.274 130 E C -0.353 176.122 176.600 -0.209 0.000 0.930 130 E CA -1.162 55.142 56.400 -0.160 0.000 0.770 130 E CB 2.175 31.810 29.700 -0.107 0.000 1.104 130 E HN 0.305 nan 8.360 nan 0.000 0.403 131 V N 5.177 125.005 119.914 -0.143 0.000 2.458 131 V HA -0.087 4.033 4.120 -0.000 0.000 0.287 131 V C 1.430 177.441 176.094 -0.139 0.000 1.009 131 V CA 0.741 62.962 62.300 -0.131 0.000 1.091 131 V CB -0.579 31.194 31.823 -0.083 0.000 0.960 131 V HN 0.686 nan 8.190 nan 0.000 0.476 132 I N 2.420 122.884 120.570 -0.176 0.000 3.462 132 I HA 0.599 4.769 4.170 -0.000 0.000 0.290 132 I C 0.859 176.954 176.117 -0.038 0.000 1.236 132 I CA 0.524 61.740 61.300 -0.140 0.000 1.418 132 I CB 0.315 38.171 38.000 -0.239 0.000 1.102 132 I HN 0.541 nan 8.210 nan 0.000 0.441 133 A N 0.700 123.498 122.820 -0.037 0.000 2.465 133 A HA 0.721 5.041 4.320 -0.000 0.000 0.292 133 A C -0.610 176.971 177.584 -0.004 0.000 1.041 133 A CA -0.323 51.713 52.037 -0.001 0.000 0.718 133 A CB 1.197 20.209 19.000 0.020 0.000 1.266 133 A HN 0.125 nan 8.150 nan 0.000 0.403 134 T N 1.733 116.289 114.554 0.003 0.000 2.807 134 T HA 0.665 5.015 4.350 -0.000 0.000 0.279 134 T C -0.530 174.182 174.700 0.019 0.000 0.993 134 T CA -0.361 61.742 62.100 0.005 0.000 0.970 134 T CB 1.176 70.041 68.868 -0.006 0.000 0.950 134 T HN 0.722 nan 8.240 nan 0.000 0.441 135 K N 2.886 123.311 120.400 0.041 0.000 2.619 135 K HA 0.337 4.656 4.320 -0.000 0.000 0.251 135 K C -1.613 175.034 176.600 0.077 0.000 0.987 135 K CA -0.555 55.756 56.287 0.039 0.000 0.844 135 K CB 0.891 33.396 32.500 0.008 0.000 1.237 135 K HN 0.295 nan 8.250 nan 0.000 0.447 136 D N 2.455 122.888 120.400 0.055 0.000 2.425 136 D HA 0.181 4.821 4.640 -0.000 0.000 0.247 136 D C -0.653 175.697 176.300 0.084 0.000 1.147 136 D CA 0.190 54.233 54.000 0.071 0.000 0.879 136 D CB 1.230 42.054 40.800 0.039 0.000 1.179 136 D HN 0.209 nan 8.370 nan 0.000 0.456 137 V N 3.011 123.013 119.914 0.146 0.000 2.638 137 V HA 0.237 4.357 4.120 -0.000 0.000 0.306 137 V C 0.128 176.383 176.094 0.267 0.000 1.052 137 V CA -0.966 61.422 62.300 0.146 0.000 0.885 137 V CB 2.127 33.995 31.823 0.074 0.000 0.999 137 V HN 0.410 nan 8.190 nan 0.000 0.424 138 V N 2.789 122.802 119.914 0.166 0.000 2.834 138 V HA 0.895 5.015 4.120 -0.000 0.000 0.301 138 V C 0.695 176.803 176.094 0.023 0.000 1.066 138 V CA -0.248 62.138 62.300 0.144 0.000 1.052 138 V CB 1.162 33.013 31.823 0.046 0.000 1.021 138 V HN 1.127 nan 8.190 nan 0.000 0.480 139 A N 2.722 125.489 122.820 -0.088 0.000 2.386 139 A HA 0.564 4.884 4.320 -0.000 0.000 0.246 139 A C 1.651 179.020 177.584 -0.358 0.000 1.089 139 A CA 0.401 52.126 52.037 -0.520 0.000 0.790 139 A CB -0.512 18.367 19.000 -0.203 0.000 1.042 139 A HN 2.785 nan 8.150 nan 0.000 0.497 140 G N -0.303 108.253 108.800 -0.406 0.000 2.220 140 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.269 140 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.269 140 G C 0.043 174.804 174.900 -0.230 0.000 0.977 140 G CA 0.936 45.882 45.100 -0.258 0.000 0.634 140 G HN 0.917 nan 8.290 nan 0.000 0.539 141 E N -0.781 119.280 120.200 -0.232 0.000 2.165 141 E HA 0.388 4.738 4.350 -0.000 0.000 0.266 141 E C -0.600 175.936 176.600 -0.107 0.000 0.889 141 E CA -1.113 55.215 56.400 -0.119 0.000 0.756 141 E CB 0.867 30.551 29.700 -0.026 0.000 1.131 141 E HN 0.334 nan 8.360 nan 0.000 0.411 142 W N 2.803 124.117 121.300 0.023 0.000 2.505 142 W HA 0.006 4.666 4.660 -0.000 0.000 0.332 142 W C 0.105 176.679 176.519 0.092 0.000 1.434 142 W CA 0.270 57.666 57.345 0.084 0.000 1.320 142 W CB 0.399 29.939 29.460 0.134 0.000 1.363 142 W HN 0.261 nan 8.180 nan 0.000 0.565 143 T N 3.164 117.859 114.554 0.236 0.000 2.863 143 T HA 0.200 4.550 4.350 -0.000 0.000 0.285 143 T C -0.715 173.866 174.700 -0.198 0.000 1.009 143 T CA -1.016 61.093 62.100 0.015 0.000 0.989 143 T CB 1.878 70.697 68.868 -0.082 0.000 1.004 143 T HN 0.325 nan 8.240 nan 0.000 0.455 144 E N 2.125 122.052 120.200 -0.455 0.000 2.259 144 E HA 0.450 4.800 4.350 -0.000 0.000 0.281 144 E C -1.098 175.308 176.600 -0.324 0.000 1.027 144 E CA -0.466 55.517 56.400 -0.695 0.000 0.838 144 E CB 0.763 29.938 29.700 -0.876 0.000 1.066 144 E HN 0.557 nan 8.360 nan 0.000 0.401 145 I N 3.709 124.133 120.570 -0.243 0.000 2.436 145 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 145 I C -1.212 174.880 176.117 -0.041 0.000 1.010 145 I CA -0.164 61.067 61.300 -0.115 0.000 1.098 145 I CB 1.250 39.195 38.000 -0.092 0.000 1.266 145 I HN 0.584 nan 8.210 nan 0.000 0.434 146 S N 5.781 121.481 115.700 -0.001 0.000 2.550 146 S HA 0.964 5.434 4.470 -0.000 0.000 0.270 146 S C -1.184 173.472 174.600 0.094 0.000 1.145 146 S CA -0.348 57.893 58.200 0.067 0.000 0.852 146 S CB 1.937 65.168 63.200 0.052 0.000 1.119 146 S HN 1.155 nan 8.310 nan 0.000 0.465 147 A N 1.575 124.495 122.820 0.166 0.000 2.608 147 A HA 0.756 5.076 4.320 -0.000 0.000 0.292 147 A C -1.525 176.233 177.584 0.289 0.000 1.066 147 A CA -1.013 51.132 52.037 0.180 0.000 0.676 147 A CB 1.212 20.296 19.000 0.140 0.000 1.277 147 A HN 0.799 nan 8.150 nan 0.000 0.413 148 K N 0.444 120.992 120.400 0.247 0.000 2.234 148 K HA 0.503 4.823 4.320 -0.000 0.000 0.282 148 K C -1.655 175.173 176.600 0.381 0.000 1.039 148 K CA -0.007 56.448 56.287 0.279 0.000 0.928 148 K CB 1.178 33.774 32.500 0.159 0.000 1.039 148 K HN 0.597 nan 8.250 nan 0.000 0.470 149 Y N 1.870 122.374 120.300 0.340 0.000 2.441 149 Y HA 0.207 4.757 4.550 -0.000 0.000 0.334 149 Y C -1.347 174.750 175.900 0.327 0.000 1.061 149 Y CA -0.934 57.346 58.100 0.300 0.000 1.032 149 Y CB 1.515 40.129 38.460 0.257 0.000 1.266 149 Y HN 0.375 nan 8.280 nan 0.000 0.441 150 K N 5.525 125.539 120.400 -0.643 0.000 2.464 150 K HA 0.769 5.089 4.320 -0.000 0.000 0.252 150 K C -0.919 175.242 176.600 -0.732 0.000 1.000 150 K CA -0.475 55.540 56.287 -0.454 0.000 0.951 150 K CB 0.674 33.021 32.500 -0.255 0.000 1.183 150 K HN 0.813 nan 8.250 nan 0.000 0.445 151 A N 5.295 127.880 122.820 -0.392 0.000 2.407 151 A HA 0.350 4.669 4.320 -0.000 0.000 0.248 151 A C -2.312 175.129 177.584 -0.239 0.000 1.082 151 A CA -1.191 50.728 52.037 -0.197 0.000 0.785 151 A CB -0.194 18.833 19.000 0.045 0.000 1.020 151 A HN 0.556 nan 8.150 nan 0.000 0.489 152 P HA -0.002 nan 4.420 nan 0.000 0.266 152 P C 0.206 177.391 177.300 -0.192 0.000 1.193 152 P CA 0.131 63.095 63.100 -0.227 0.000 0.770 152 P CB 0.417 31.970 31.700 -0.245 0.000 0.836 153 K N 0.397 120.726 120.400 -0.118 0.000 2.228 153 K HA -0.175 4.144 4.320 -0.000 0.000 0.205 153 K C 1.226 177.775 176.600 -0.085 0.000 1.045 153 K CA 2.233 58.469 56.287 -0.085 0.000 0.931 153 K CB -1.841 30.623 32.500 -0.060 0.000 0.727 153 K HN 0.502 nan 8.250 nan 0.000 0.458 154 T N -2.303 112.191 114.554 -0.100 0.000 3.235 154 T HA 0.467 4.817 4.350 -0.000 0.000 0.251 154 T C 0.463 175.100 174.700 -0.104 0.000 1.060 154 T CA -0.344 61.711 62.100 -0.076 0.000 0.949 154 T CB -0.147 68.697 68.868 -0.039 0.000 1.020 154 T HN 0.269 nan 8.240 nan 0.000 0.564 155 A N 1.746 124.449 122.820 -0.194 0.000 2.276 155 A HA 0.692 5.012 4.320 -0.000 0.000 0.300 155 A C 0.314 177.864 177.584 -0.057 0.000 1.235 155 A CA -0.699 51.200 52.037 -0.231 0.000 0.867 155 A CB 0.385 19.024 19.000 -0.601 0.000 1.137 155 A HN 0.866 nan 8.150 nan 0.000 0.527 156 V N 0.836 120.764 119.914 0.023 0.000 3.046 156 V HA 0.714 4.834 4.120 -0.000 0.000 0.316 156 V C 0.424 176.550 176.094 0.053 0.000 1.104 156 V CA -0.767 61.541 62.300 0.014 0.000 1.006 156 V CB 1.619 33.433 31.823 -0.016 0.000 1.058 156 V HN 0.969 nan 8.190 nan 0.000 0.440 157 N N 0.341 119.044 118.700 0.004 0.000 2.780 157 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 157 N C -0.313 175.230 175.510 0.055 0.000 1.102 157 N CA 0.879 53.932 53.050 0.006 0.000 0.697 157 N CB -0.982 37.510 38.487 0.008 0.000 1.028 157 N HN 0.819 nan 8.380 nan 0.000 0.554 158 I N 0.905 121.521 120.570 0.077 0.000 2.598 158 I HA -0.005 4.165 4.170 -0.000 0.000 0.284 158 I C 0.706 176.878 176.117 0.091 0.000 1.140 158 I CA 0.729 62.106 61.300 0.129 0.000 1.420 158 I CB 0.682 38.775 38.000 0.156 0.000 1.387 158 I HN -0.014 nan 8.210 nan 0.000 0.553 159 T N 7.516 122.112 114.554 0.071 0.000 2.890 159 T HA 0.350 4.700 4.350 -0.000 0.000 0.295 159 T C -0.569 174.139 174.700 0.012 0.000 0.993 159 T CA -0.454 61.666 62.100 0.033 0.000 0.979 159 T CB 1.226 70.091 68.868 -0.006 0.000 0.967 159 T HN 0.199 nan 8.240 nan 0.000 0.441 160 L N 4.599 125.833 121.223 0.018 0.000 2.305 160 L HA 0.716 5.056 4.340 -0.000 0.000 0.281 160 L C -0.023 176.893 176.870 0.076 0.000 1.085 160 L CA 0.171 55.044 54.840 0.055 0.000 0.813 160 L CB 0.573 42.764 42.059 0.220 0.000 1.157 160 L HN 0.733 nan 8.230 nan 0.000 0.436 161 S N 4.729 120.500 115.700 0.118 0.000 2.541 161 S HA 0.747 5.217 4.470 -0.000 0.000 0.280 161 S C -0.652 174.046 174.600 0.164 0.000 1.112 161 S CA -0.816 57.508 58.200 0.207 0.000 0.925 161 S CB 1.116 64.399 63.200 0.139 0.000 1.067 161 S HN 0.460 nan 8.310 nan 0.000 0.479 162 I N 2.891 123.579 120.570 0.196 0.000 2.354 162 I HA 0.612 4.782 4.170 -0.000 0.000 0.292 162 I C 0.419 176.559 176.117 0.039 0.000 0.989 162 I CA -0.182 61.149 61.300 0.053 0.000 1.188 162 I CB 1.874 39.827 38.000 -0.077 0.000 1.342 162 I HN 0.992 nan 8.210 nan 0.000 0.457 163 T N 0.638 115.121 114.554 -0.117 0.000 2.778 163 T HA 0.726 5.076 4.350 -0.000 0.000 0.293 163 T C -0.306 174.116 174.700 -0.463 0.000 1.144 163 T CA -0.697 61.292 62.100 -0.185 0.000 1.010 163 T CB 2.005 70.833 68.868 -0.065 0.000 1.325 163 T HN 0.605 nan 8.240 nan 0.000 0.515 164 T N -1.955 112.340 114.554 -0.432 0.000 2.910 164 T HA 0.528 4.878 4.350 -0.000 0.000 0.287 164 T C -0.458 174.080 174.700 -0.270 0.000 1.050 164 T CA -0.555 61.236 62.100 -0.515 0.000 1.011 164 T CB 1.516 69.982 68.868 -0.670 0.000 1.195 164 T HN 0.423 nan 8.240 nan 0.000 0.540 165 D N 0.730 120.984 120.400 -0.243 0.000 2.324 165 D HA 0.256 4.896 4.640 -0.000 0.000 0.235 165 D C 0.514 176.737 176.300 -0.129 0.000 1.095 165 D CA 0.278 54.187 54.000 -0.153 0.000 0.871 165 D CB -0.005 40.718 40.800 -0.127 0.000 0.906 165 D HN 0.652 nan 8.370 nan 0.000 0.522 166 S N -2.409 113.202 115.700 -0.149 0.000 2.794 166 S HA 0.395 4.864 4.470 -0.000 0.000 0.299 166 S C 0.561 175.110 174.600 -0.084 0.000 1.179 166 S CA -0.616 57.520 58.200 -0.107 0.000 0.838 166 S CB 1.356 64.483 63.200 -0.121 0.000 1.206 166 S HN -0.021 nan 8.310 nan 0.000 0.523 167 T N -1.739 112.785 114.554 -0.050 0.000 3.214 167 T HA 0.291 4.641 4.350 -0.000 0.000 0.264 167 T C 0.309 175.011 174.700 0.003 0.000 1.012 167 T CA -0.239 61.851 62.100 -0.017 0.000 0.901 167 T CB -0.452 68.410 68.868 -0.011 0.000 1.070 167 T HN 0.653 nan 8.240 nan 0.000 0.561 168 V N 2.093 121.998 119.914 -0.015 0.000 2.788 168 V HA 0.153 4.273 4.120 -0.000 0.000 0.307 168 V C 0.145 176.301 176.094 0.103 0.000 1.069 168 V CA -0.046 62.264 62.300 0.016 0.000 1.173 168 V CB 0.138 31.929 31.823 -0.053 0.000 0.925 168 V HN 0.542 nan 8.190 nan 0.000 0.492 169 D N 5.051 125.507 120.400 0.093 0.000 2.400 169 D HA 0.401 5.041 4.640 -0.000 0.000 0.238 169 D C -0.338 176.105 176.300 0.239 0.000 1.157 169 D CA 0.949 55.000 54.000 0.085 0.000 0.889 169 D CB 0.448 41.276 40.800 0.046 0.000 1.199 169 D HN 0.537 nan 8.370 nan 0.000 0.436 170 F N -0.934 119.072 119.950 0.094 0.000 2.789 170 F HA 0.669 5.196 4.527 -0.000 0.000 0.319 170 F C -1.498 174.385 175.800 0.139 0.000 1.168 170 F CA -1.129 56.973 58.000 0.170 0.000 0.934 170 F CB 1.003 40.202 39.000 0.330 0.000 1.375 170 F HN 0.107 nan 8.300 nan 0.000 0.480 171 I N 1.726 122.528 120.570 0.387 0.000 2.686 171 I HA 0.557 4.726 4.170 -0.000 0.000 0.295 171 I C -1.341 175.074 176.117 0.496 0.000 1.114 171 I CA -0.798 60.631 61.300 0.215 0.000 1.038 171 I CB 2.309 40.331 38.000 0.037 0.000 1.238 171 I HN 0.768 nan 8.210 nan 0.000 0.420 172 F N 2.076 122.158 119.950 0.219 0.000 2.611 172 F HA 0.895 5.421 4.527 -0.000 0.000 0.324 172 F C -1.030 174.877 175.800 0.179 0.000 1.061 172 F CA -0.609 57.566 58.000 0.292 0.000 0.954 172 F CB 1.812 40.907 39.000 0.160 0.000 1.301 172 F HN 0.293 nan 8.300 nan 0.000 0.482 173 D N -0.883 119.693 120.400 0.293 0.000 2.665 173 D HA 0.205 4.844 4.640 -0.000 0.000 0.287 173 D C -1.510 174.912 176.300 0.203 0.000 1.266 173 D CA -0.161 53.908 54.000 0.116 0.000 0.830 173 D CB 1.682 42.342 40.800 -0.233 0.000 1.356 173 D HN 0.690 nan 8.370 nan 0.000 0.437 174 D N 0.217 120.652 120.400 0.058 0.000 2.740 174 D HA -0.119 4.521 4.640 -0.000 0.000 0.231 174 D C -0.165 176.290 176.300 0.258 0.000 1.194 174 D CA 0.491 54.523 54.000 0.053 0.000 0.673 174 D CB -1.315 39.431 40.800 -0.089 0.000 0.995 174 D HN 0.105 nan 8.370 nan 0.000 0.411 175 V N 0.535 120.594 119.914 0.242 0.000 2.585 175 V HA 0.197 4.317 4.120 -0.000 0.000 0.296 175 V C 1.182 177.456 176.094 0.299 0.000 1.035 175 V CA 0.654 63.142 62.300 0.313 0.000 1.084 175 V CB 1.478 33.533 31.823 0.386 0.000 0.953 175 V HN 0.276 nan 8.190 nan 0.000 0.483 176 T N 6.521 121.250 114.554 0.291 0.000 3.011 176 T HA 0.572 4.922 4.350 -0.000 0.000 0.303 176 T C -0.579 174.219 174.700 0.164 0.000 0.997 176 T CA -0.247 61.989 62.100 0.226 0.000 1.007 176 T CB 0.675 69.665 68.868 0.202 0.000 1.017 176 T HN 0.425 nan 8.240 nan 0.000 0.443 177 I N 3.912 124.543 120.570 0.102 0.000 2.406 177 I HA 0.569 4.739 4.170 -0.000 0.000 0.290 177 I C 0.495 176.646 176.117 0.058 0.000 0.999 177 I CA -0.848 60.452 61.300 0.000 0.000 1.124 177 I CB 1.999 39.917 38.000 -0.137 0.000 1.289 177 I HN 0.608 nan 8.210 nan 0.000 0.441 178 T N 2.959 117.563 114.554 0.084 0.000 2.901 178 T HA 0.890 5.240 4.350 -0.000 0.000 0.293 178 T C -0.495 174.293 174.700 0.148 0.000 1.084 178 T CA -1.020 61.159 62.100 0.132 0.000 1.008 178 T CB 2.592 71.508 68.868 0.080 0.000 1.170 178 T HN 0.834 nan 8.240 nan 0.000 0.509 179 R N -0.318 120.240 120.500 0.096 0.000 2.766 179 R HA 0.859 5.199 4.340 -0.000 0.000 0.270 179 R C -1.666 174.675 176.300 0.068 0.000 1.035 179 R CA -1.374 54.710 56.100 -0.027 0.000 0.911 179 R CB 0.595 30.767 30.300 -0.214 0.000 1.243 179 R HN 0.713 nan 8.270 nan 0.000 0.460 180 K N -0.323 120.110 120.400 0.056 0.000 1.970 180 K HA 0.119 4.439 4.320 -0.000 0.000 0.950 180 K C -0.619 175.984 176.600 0.005 0.000 0.794 180 K CA 1.156 57.439 56.287 -0.006 0.000 0.916 180 K CB -1.266 31.183 32.500 -0.085 0.000 3.123 180 K HN 1.543 nan 8.250 nan 0.000 0.224 190 A N 4.699 127.226 122.820 -0.489 0.000 2.302 190 A HA 0.809 5.129 4.320 -0.000 0.000 0.295 190 A C -0.046 177.248 177.584 -0.483 0.000 1.235 190 A CA 0.145 51.990 52.037 -0.319 0.000 0.876 190 A CB -0.026 18.862 19.000 -0.187 0.000 1.133 190 A HN 1.199 nan 8.150 nan 0.000 0.533 191 A N 3.970 126.797 122.820 0.012 0.000 2.354 191 A HA 0.548 4.868 4.320 -0.000 0.000 0.269 191 A C 0.305 178.063 177.584 0.289 0.000 1.109 191 A CA -0.632 51.610 52.037 0.342 0.000 0.800 191 A CB 0.170 19.524 19.000 0.589 0.000 1.045 191 A HN 0.862 nan 8.150 nan 0.000 0.489 192 N N 0.369 119.190 118.700 0.202 0.000 2.476 192 N HA 0.430 5.170 4.740 -0.000 0.000 0.276 192 N C 0.136 175.602 175.510 -0.074 0.000 1.204 192 N CA 0.050 53.176 53.050 0.128 0.000 0.974 192 N CB 1.373 39.895 38.487 0.058 0.000 1.204 192 N HN 0.692 nan 8.380 nan 0.000 0.543 193 A N 0.516 123.302 122.820 -0.056 0.000 3.004 193 A HA 0.278 4.598 4.320 -0.000 0.000 0.252 193 A C 0.257 177.718 177.584 -0.206 0.000 1.802 193 A CA -0.253 51.614 52.037 -0.284 0.000 1.424 193 A CB -1.363 17.660 19.000 0.039 0.000 1.005 193 A HN 0.394 nan 8.150 nan 0.000 0.631 194 V N -2.324 117.424 119.914 -0.276 0.000 2.823 194 V HA 0.500 4.620 4.120 -0.000 0.000 0.312 194 V C 1.103 177.089 176.094 -0.180 0.000 1.072 194 V CA -0.857 61.369 62.300 -0.123 0.000 0.937 194 V CB 1.264 33.053 31.823 -0.056 0.000 1.013 194 V HN 0.375 nan 8.190 nan 0.000 0.430 195 L N 2.207 123.378 121.223 -0.085 0.000 1.990 195 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 195 L C 2.783 179.715 176.870 0.103 0.000 1.072 195 L CA 2.680 57.521 54.840 0.003 0.000 0.755 195 L CB -0.484 41.555 42.059 -0.033 0.000 0.889 195 L HN 1.003 nan 8.230 nan 0.000 0.432 196 K N -0.801 119.622 120.400 0.038 0.000 2.147 196 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 196 K C 0.483 177.110 176.600 0.044 0.000 1.049 196 K CA 1.032 57.370 56.287 0.085 0.000 0.936 196 K CB -0.326 32.208 32.500 0.057 0.000 0.722 196 K HN 0.200 nan 8.250 nan 0.000 0.446 200 A N 0.564 123.442 122.820 0.097 0.000 1.986 200 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 200 A C 1.803 179.385 177.584 -0.003 0.000 1.171 200 A CA 2.212 54.275 52.037 0.044 0.000 0.640 200 A CB -0.326 18.676 19.000 0.004 0.000 0.811 200 A HN 0.457 nan 8.150 nan 0.000 0.451 201 N N -2.034 116.650 118.700 -0.026 0.000 2.461 201 N HA 0.040 4.780 4.740 -0.000 0.000 0.188 201 N C 0.661 175.902 175.510 -0.449 0.000 1.134 201 N CA 0.815 53.732 53.050 -0.220 0.000 0.878 201 N CB -0.064 38.257 38.487 -0.277 0.000 0.972 201 N HN 0.719 nan 8.380 nan 0.000 0.456 202 Y N -0.513 119.677 120.300 -0.183 0.000 2.569 202 Y HA 0.214 4.764 4.550 -0.000 0.000 0.278 202 Y C 0.229 175.976 175.900 -0.254 0.000 1.130 202 Y CA -0.228 57.663 58.100 -0.348 0.000 1.280 202 Y CB 0.433 38.467 38.460 -0.710 0.000 1.379 202 Y HN -0.138 nan 8.280 nan 0.000 0.508 203 F N -2.493 117.657 119.950 0.334 0.000 2.807 203 F HA 0.543 5.069 4.527 -0.000 0.000 0.316 203 F C -0.736 175.161 175.800 0.161 0.000 1.162 203 F CA -2.289 55.830 58.000 0.199 0.000 0.910 203 F CB 0.611 39.710 39.000 0.165 0.000 1.314 203 F HN -0.407 nan 8.300 nan 0.000 0.454 204 R N 0.486 121.225 120.500 0.398 0.000 2.694 204 R HA 0.613 4.953 4.340 -0.000 0.000 0.268 204 R C -1.267 175.254 176.300 0.367 0.000 1.061 204 R CA -0.501 55.754 56.100 0.258 0.000 1.133 204 R CB 1.003 31.324 30.300 0.035 0.000 1.020 204 R HN 0.528 nan 8.270 nan 0.000 0.475 205 V N 1.761 121.872 119.914 0.329 0.000 2.376 205 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 205 V C 0.388 176.766 176.094 0.472 0.000 1.015 205 V CA -0.663 61.870 62.300 0.388 0.000 0.834 205 V CB 1.639 33.718 31.823 0.426 0.000 1.001 205 V HN 0.960 nan 8.190 nan 0.000 0.428 206 G N 2.329 111.323 108.800 0.322 0.000 2.489 206 G HA2 0.721 4.680 3.960 -0.000 0.000 0.327 206 G HA3 0.721 4.680 3.960 -0.000 0.000 0.327 206 G C -0.481 174.269 174.900 -0.249 0.000 1.189 206 G CA -0.179 44.998 45.100 0.127 0.000 0.962 206 G HN 0.715 nan 8.290 nan 0.000 0.486 207 S N -1.537 113.856 115.700 -0.512 0.000 3.144 207 S HA 0.788 5.257 4.470 -0.000 0.000 0.325 207 S C -1.409 172.959 174.600 -0.385 0.000 1.161 207 S CA -0.399 57.397 58.200 -0.673 0.000 0.920 207 S CB 1.447 63.809 63.200 -1.397 0.000 1.340 207 S HN 0.779 nan 8.310 nan 0.000 0.681 208 V N 1.385 121.058 119.914 -0.401 0.000 2.888 208 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 208 V C -1.140 174.760 176.094 -0.323 0.000 1.114 208 V CA -0.556 61.486 62.300 -0.429 0.000 0.940 208 V CB 1.676 33.037 31.823 -0.769 0.000 1.021 208 V HN 0.759 nan 8.190 nan 0.000 0.426 209 L N 3.872 124.943 121.223 -0.252 0.000 2.323 209 L HA 0.725 5.065 4.340 -0.000 0.000 0.265 209 L C -0.596 176.156 176.870 -0.197 0.000 1.012 209 L CA -0.494 54.234 54.840 -0.187 0.000 0.820 209 L CB 2.460 44.472 42.059 -0.078 0.000 1.334 209 L HN 0.949 nan 8.230 nan 0.000 0.427 210 N N -1.898 116.694 118.700 -0.181 0.000 2.774 210 N HA 0.281 5.021 4.740 -0.000 0.000 0.264 210 N C -0.080 175.344 175.510 -0.144 0.000 1.415 210 N CA -0.723 52.240 53.050 -0.145 0.000 0.815 210 N CB 1.101 39.504 38.487 -0.140 0.000 1.514 210 N HN 0.311 nan 8.380 nan 0.000 0.523 211 S N -1.301 114.338 115.700 -0.101 0.000 2.420 211 S HA -0.080 4.389 4.470 -0.000 0.000 0.237 211 S C 1.603 176.120 174.600 -0.138 0.000 1.023 211 S CA 1.472 59.613 58.200 -0.100 0.000 0.991 211 S CB -0.884 62.285 63.200 -0.051 0.000 0.792 211 S HN 0.778 nan 8.310 nan 0.000 0.488 212 G N 1.649 110.371 108.800 -0.130 0.000 2.408 212 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.213 212 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.213 212 G C 1.582 176.363 174.900 -0.198 0.000 1.177 212 G CA 1.159 46.178 45.100 -0.135 0.000 0.802 212 G HN 0.622 nan 8.290 nan 0.000 0.533 213 T N -0.991 113.431 114.554 -0.220 0.000 3.023 213 T HA 0.034 4.384 4.350 -0.000 0.000 0.266 213 T C 2.131 176.564 174.700 -0.444 0.000 1.093 213 T CA 0.701 62.645 62.100 -0.259 0.000 1.129 213 T CB -0.012 68.732 68.868 -0.208 0.000 0.899 213 T HN -0.046 nan 8.240 nan 0.000 0.491 214 V N 2.755 122.340 119.914 -0.548 0.000 2.828 214 V HA -0.133 3.987 4.120 -0.000 0.000 0.260 214 V C 1.697 177.052 176.094 -1.232 0.000 1.101 214 V CA 1.577 63.226 62.300 -1.086 0.000 1.123 214 V CB -0.904 30.500 31.823 -0.697 0.000 0.704 214 V HN 0.661 nan 8.190 nan 0.000 0.493 215 N N -0.256 118.057 118.700 -0.645 0.000 2.280 215 N HA 0.034 4.774 4.740 -0.000 0.000 0.192 215 N C 0.519 175.822 175.510 -0.344 0.000 1.109 215 N CA -0.176 52.600 53.050 -0.457 0.000 0.855 215 N CB 0.154 38.484 38.487 -0.261 0.000 0.974 215 N HN 0.290 nan 8.380 nan 0.000 0.482 216 N N 1.032 119.515 118.700 -0.362 0.000 2.462 216 N HA 0.136 4.875 4.740 -0.000 0.000 0.242 216 N C 0.322 175.727 175.510 -0.176 0.000 1.010 216 N CA 0.081 53.000 53.050 -0.218 0.000 0.939 216 N CB 1.124 39.500 38.487 -0.184 0.000 1.127 216 N HN -0.116 nan 8.380 nan 0.000 0.509 217 S N 1.741 117.374 115.700 -0.113 0.000 2.370 217 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 217 S C 1.848 176.423 174.600 -0.041 0.000 1.033 217 S CA 1.326 59.494 58.200 -0.053 0.000 1.011 217 S CB -0.100 63.082 63.200 -0.030 0.000 0.852 217 S HN 0.710 nan 8.310 nan 0.000 0.457 218 S N 0.744 116.409 115.700 -0.058 0.000 2.383 218 S HA 0.028 4.498 4.470 -0.000 0.000 0.227 218 S C 1.710 176.268 174.600 -0.070 0.000 1.026 218 S CA 0.799 58.964 58.200 -0.058 0.000 0.981 218 S CB -0.321 62.843 63.200 -0.059 0.000 0.818 218 S HN 0.470 nan 8.310 nan 0.000 0.472 219 I N 1.036 121.558 120.570 -0.080 0.000 2.406 219 I HA -0.072 4.098 4.170 -0.000 0.000 0.249 219 I C 2.479 178.582 176.117 -0.023 0.000 1.122 219 I CA 0.947 62.200 61.300 -0.078 0.000 1.431 219 I CB -0.270 37.669 38.000 -0.103 0.000 1.087 219 I HN 0.298 nan 8.210 nan 0.000 0.424 220 K N 1.653 122.054 120.400 0.002 0.000 2.044 220 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 220 K C 2.177 178.838 176.600 0.102 0.000 1.049 220 K CA 1.830 58.169 56.287 0.086 0.000 0.927 220 K CB -0.154 32.428 32.500 0.137 0.000 0.713 220 K HN 0.296 nan 8.250 nan 0.000 0.443 221 A N 1.285 124.132 122.820 0.045 0.000 1.877 221 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 221 A C 2.084 179.666 177.584 -0.003 0.000 1.186 221 A CA 1.499 53.553 52.037 0.028 0.000 0.620 221 A CB -0.725 18.271 19.000 -0.006 0.000 0.822 221 A HN 0.417 nan 8.150 nan 0.000 0.443 222 L N 0.080 121.266 121.223 -0.061 0.000 1.990 222 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 222 L C 2.185 179.055 176.870 0.001 0.000 1.072 222 L CA 1.961 56.716 54.840 -0.142 0.000 0.755 222 L CB -0.454 41.446 42.059 -0.265 0.000 0.889 222 L HN 0.364 nan 8.230 nan 0.000 0.432 223 I N -0.579 120.079 120.570 0.147 0.000 2.163 223 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 223 I C 2.651 178.916 176.117 0.248 0.000 1.085 223 I CA 1.541 63.038 61.300 0.328 0.000 1.347 223 I CB -1.364 36.845 38.000 0.348 0.000 1.044 223 I HN 0.327 nan 8.210 nan 0.000 0.408 224 L N 0.046 121.397 121.223 0.213 0.000 2.079 224 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 224 L C 2.821 179.731 176.870 0.067 0.000 1.081 224 L CA 1.307 56.233 54.840 0.143 0.000 0.752 224 L CB -0.500 41.647 42.059 0.146 0.000 0.896 224 L HN 0.241 nan 8.230 nan 0.000 0.433 225 R N -0.410 120.108 120.500 0.030 0.000 2.073 225 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 225 R C 1.887 178.156 176.300 -0.052 0.000 1.120 225 R CA 1.202 57.294 56.100 -0.014 0.000 0.967 225 R CB 0.225 30.496 30.300 -0.049 0.000 0.862 225 R HN 0.305 nan 8.270 nan 0.000 0.436 226 E N -1.115 119.008 120.200 -0.129 0.000 2.364 226 E HA 0.090 4.440 4.350 -0.000 0.000 0.203 226 E C -0.390 175.991 176.600 -0.365 0.000 0.888 226 E CA 0.286 56.488 56.400 -0.329 0.000 0.989 226 E CB 0.503 29.813 29.700 -0.650 0.000 0.985 226 E HN 0.078 nan 8.360 nan 0.000 0.499 227 F N 2.315 122.325 119.950 0.099 0.000 2.495 227 F HA 0.232 4.759 4.527 -0.000 0.000 0.327 227 F C 0.847 176.687 175.800 0.066 0.000 1.103 227 F CA -1.083 56.980 58.000 0.104 0.000 0.949 227 F CB 1.100 40.165 39.000 0.108 0.000 1.142 227 F HN -0.145 nan 8.300 nan 0.000 0.457 228 N N -0.157 118.687 118.700 0.240 0.000 2.234 228 N HA 0.160 4.899 4.740 -0.000 0.000 0.227 228 N C -0.600 174.939 175.510 0.048 0.000 1.151 228 N CA -0.147 52.964 53.050 0.101 0.000 0.865 228 N CB 1.024 39.532 38.487 0.035 0.000 1.066 228 N HN 0.312 nan 8.380 nan 0.000 0.515 229 S N 0.160 115.934 115.700 0.125 0.000 2.548 229 S HA 0.664 5.134 4.470 -0.000 0.000 0.276 229 S C -1.793 172.866 174.600 0.098 0.000 1.129 229 S CA -0.737 57.522 58.200 0.097 0.000 0.931 229 S CB 0.817 64.103 63.200 0.144 0.000 1.068 229 S HN 0.071 nan 8.310 nan 0.000 0.480 230 I N 3.362 123.985 120.570 0.087 0.000 2.608 230 I HA 0.437 4.607 4.170 -0.000 0.000 0.295 230 I C -0.138 175.975 176.117 -0.007 0.000 1.049 230 I CA -0.350 60.961 61.300 0.018 0.000 1.063 230 I CB 2.108 40.139 38.000 0.052 0.000 1.248 230 I HN 0.648 nan 8.210 nan 0.000 0.424 231 T N 3.750 118.251 114.554 -0.089 0.000 2.855 231 T HA 0.346 4.696 4.350 -0.000 0.000 0.281 231 T C -0.201 174.394 174.700 -0.175 0.000 1.007 231 T CA -0.339 61.693 62.100 -0.114 0.000 1.009 231 T CB 1.326 70.145 68.868 -0.082 0.000 0.983 231 T HN 0.543 nan 8.240 nan 0.000 0.455 232 C N 2.649 121.882 119.300 -0.111 0.000 2.576 232 C HA 0.139 4.599 4.460 -0.000 0.000 0.401 232 C C 2.221 177.133 174.990 -0.130 0.000 1.314 232 C CA -0.361 58.592 59.018 -0.108 0.000 1.855 232 C CB -0.663 27.055 27.740 -0.037 0.000 2.537 232 C HN 1.091 nan 8.230 nan 0.000 0.578 233 E N 2.026 122.074 120.200 -0.253 0.000 2.110 233 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 233 E C 1.332 177.958 176.600 0.044 0.000 0.988 233 E CA 1.414 57.632 56.400 -0.304 0.000 0.804 233 E CB 0.191 29.654 29.700 -0.395 0.000 0.745 233 E HN 0.736 nan 8.360 nan 0.000 0.458 234 N N -0.965 117.762 118.700 0.045 0.000 2.028 234 N HA 0.034 4.774 4.740 -0.000 0.000 0.230 234 N C -0.346 175.219 175.510 0.091 0.000 1.354 234 N CA 0.044 53.161 53.050 0.113 0.000 0.855 234 N CB 0.706 39.250 38.487 0.094 0.000 1.111 234 N HN -0.030 nan 8.380 nan 0.000 0.480 238 P HA -0.210 nan 4.420 nan 0.000 0.215 238 P C 0.456 177.665 177.300 -0.152 0.000 1.153 238 P CA 1.623 64.625 63.100 -0.164 0.000 0.853 238 P CB 0.072 31.579 31.700 -0.321 0.000 0.788 239 D N -0.862 119.504 120.400 -0.058 0.000 2.363 239 D HA -0.021 4.619 4.640 -0.000 0.000 0.220 239 D C 1.420 177.744 176.300 0.040 0.000 0.994 239 D CA 0.728 54.707 54.000 -0.035 0.000 0.890 239 D CB -0.863 39.936 40.800 -0.002 0.000 0.906 239 D HN 0.127 nan 8.370 nan 0.000 0.530 240 A N -0.039 122.817 122.820 0.060 0.000 2.220 240 A HA 0.166 4.486 4.320 -0.000 0.000 0.211 240 A C 1.969 179.611 177.584 0.097 0.000 1.176 240 A CA 1.072 53.159 52.037 0.083 0.000 0.834 240 A CB -0.156 18.895 19.000 0.085 0.000 0.868 240 A HN 0.365 nan 8.150 nan 0.000 0.488 241 T N -3.325 111.290 114.554 0.101 0.000 2.964 241 T HA 0.396 4.746 4.350 -0.000 0.000 0.249 241 T C 0.488 175.284 174.700 0.161 0.000 1.000 241 T CA -0.259 61.928 62.100 0.144 0.000 0.992 241 T CB -0.399 68.590 68.868 0.202 0.000 1.087 241 T HN 0.106 nan 8.240 nan 0.000 0.489 242 L N 2.684 123.955 121.223 0.080 0.000 2.416 242 L HA 0.452 4.792 4.340 -0.000 0.000 0.272 242 L C -0.578 176.442 176.870 0.251 0.000 1.161 242 L CA -0.630 54.270 54.840 0.101 0.000 0.845 242 L CB 1.166 43.133 42.059 -0.152 0.000 1.119 242 L HN 0.057 nan 8.230 nan 0.000 0.464 243 V N 3.817 123.887 119.914 0.261 0.000 2.357 243 V HA 0.097 4.217 4.120 -0.000 0.000 0.284 243 V C 0.711 176.839 176.094 0.058 0.000 1.018 243 V CA -0.367 62.033 62.300 0.166 0.000 0.841 243 V CB 1.373 33.251 31.823 0.093 0.000 0.991 243 V HN 0.886 nan 8.190 nan 0.000 0.437 244 Q N 3.339 123.030 119.800 -0.181 0.000 1.990 244 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 244 Q C 1.283 176.975 176.000 -0.513 0.000 0.980 244 Q CA 1.425 56.729 55.803 -0.831 0.000 0.832 244 Q CB 0.020 28.084 28.738 -1.124 0.000 0.897 244 Q HN 0.682 nan 8.270 nan 0.000 0.427 245 S N -0.328 115.186 115.700 -0.311 0.000 2.629 245 S HA 0.217 4.687 4.470 -0.000 0.000 0.302 245 S C 0.646 175.121 174.600 -0.208 0.000 1.244 245 S CA 0.751 58.814 58.200 -0.228 0.000 1.098 245 S CB -0.296 62.823 63.200 -0.134 0.000 0.858 245 S HN 0.744 nan 8.310 nan 0.000 0.502 246 G N 3.754 112.406 108.800 -0.246 0.000 2.184 246 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.264 246 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.264 246 G C 0.320 175.058 174.900 -0.269 0.000 0.975 246 G CA 0.334 45.302 45.100 -0.220 0.000 0.642 246 G HN 0.767 nan 8.290 nan 0.000 0.536 247 S N 0.528 115.999 115.700 -0.382 0.000 2.573 247 S HA 0.566 5.036 4.470 -0.000 0.000 0.277 247 S C 0.717 174.911 174.600 -0.677 0.000 1.346 247 S CA 0.831 58.785 58.200 -0.409 0.000 1.034 247 S CB 1.208 64.227 63.200 -0.302 0.000 0.879 247 S HN 1.431 nan 8.310 nan 0.000 0.528 248 T N -0.423 113.928 114.554 -0.340 0.000 2.841 248 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 248 T C 0.697 175.530 174.700 0.222 0.000 1.166 248 T CA -1.008 60.992 62.100 -0.166 0.000 1.007 248 T CB 0.781 69.621 68.868 -0.046 0.000 1.253 248 T HN 0.295 nan 8.240 nan 0.000 0.511 249 N N 1.048 119.979 118.700 0.385 0.000 2.184 249 N HA -0.112 4.627 4.740 -0.000 0.000 0.190 249 N C 1.663 177.286 175.510 0.189 0.000 1.011 249 N CA 2.220 55.454 53.050 0.306 0.000 0.867 249 N CB -0.522 38.081 38.487 0.192 0.000 0.993 249 N HN 0.921 nan 8.380 nan 0.000 0.433 250 T N -4.257 110.376 114.554 0.131 0.000 3.044 250 T HA 0.214 4.564 4.350 -0.000 0.000 0.260 250 T C 0.153 174.896 174.700 0.072 0.000 1.019 250 T CA -0.493 61.661 62.100 0.090 0.000 0.921 250 T CB 0.111 69.019 68.868 0.066 0.000 1.053 250 T HN -0.030 nan 8.240 nan 0.000 0.533 251 N N 1.254 120.001 118.700 0.078 0.000 2.640 251 N HA 0.283 5.023 4.740 -0.000 0.000 0.262 251 N C -1.456 174.103 175.510 0.081 0.000 1.174 251 N CA -0.617 52.466 53.050 0.056 0.000 0.791 251 N CB 0.541 39.038 38.487 0.017 0.000 1.279 251 N HN 0.109 nan 8.380 nan 0.000 0.535 252 I N 2.997 123.659 120.570 0.153 0.000 2.352 252 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 252 I C 0.860 177.080 176.117 0.171 0.000 1.036 252 I CA -0.309 61.130 61.300 0.231 0.000 1.336 252 I CB 0.547 38.797 38.000 0.417 0.000 1.407 252 I HN 0.304 nan 8.210 nan 0.000 0.497 253 R N 5.040 125.617 120.500 0.127 0.000 2.438 253 R HA 0.480 4.820 4.340 -0.000 0.000 0.287 253 R C -0.282 176.109 176.300 0.152 0.000 1.077 253 R CA -0.348 55.813 56.100 0.102 0.000 1.034 253 R CB 1.279 31.610 30.300 0.050 0.000 0.993 253 R HN 0.552 nan 8.270 nan 0.000 0.459 254 V N -1.591 118.400 119.914 0.129 0.000 3.102 254 V HA 0.799 4.919 4.120 -0.000 0.000 0.312 254 V C -0.668 175.494 176.094 0.113 0.000 1.135 254 V CA -0.746 61.639 62.300 0.142 0.000 1.022 254 V CB 2.231 34.115 31.823 0.102 0.000 1.056 254 V HN 0.700 nan 8.190 nan 0.000 0.436 255 S N 0.946 116.716 115.700 0.116 0.000 2.546 255 S HA 0.609 5.079 4.470 -0.000 0.000 0.272 255 S C -0.213 174.448 174.600 0.101 0.000 1.140 255 S CA -0.718 57.547 58.200 0.108 0.000 0.920 255 S CB 1.590 64.862 63.200 0.120 0.000 1.083 255 S HN 0.857 nan 8.310 nan 0.000 0.476 256 L N 3.962 125.243 121.223 0.097 0.000 2.653 256 L HA 0.243 4.583 4.340 -0.000 0.000 0.231 256 L C 1.297 178.235 176.870 0.112 0.000 1.153 256 L CA -0.223 54.677 54.840 0.100 0.000 0.933 256 L CB -0.500 41.629 42.059 0.116 0.000 1.175 256 L HN 0.536 nan 8.230 nan 0.000 0.473 257 N N 0.893 119.665 118.700 0.119 0.000 2.192 257 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 257 N C 1.855 177.444 175.510 0.132 0.000 1.013 257 N CA 1.097 54.222 53.050 0.125 0.000 0.863 257 N CB -0.102 38.490 38.487 0.176 0.000 0.990 257 N HN 0.282 nan 8.380 nan 0.000 0.430 258 R N 0.290 120.860 120.500 0.116 0.000 2.119 258 R HA 0.159 4.499 4.340 -0.000 0.000 0.222 258 R C 1.699 178.039 176.300 0.067 0.000 1.088 258 R CA 0.862 57.019 56.100 0.095 0.000 0.984 258 R CB -0.362 29.988 30.300 0.083 0.000 0.884 258 R HN 0.222 nan 8.270 nan 0.000 0.447 259 A N 0.786 123.641 122.820 0.058 0.000 2.169 259 A HA 0.202 4.522 4.320 -0.000 0.000 0.212 259 A C 2.211 179.801 177.584 0.009 0.000 1.153 259 A CA 0.913 52.965 52.037 0.024 0.000 0.756 259 A CB -0.133 18.871 19.000 0.008 0.000 0.813 259 A HN 0.267 nan 8.150 nan 0.000 0.471 260 A N 0.833 123.681 122.820 0.048 0.000 1.883 260 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 260 A C 2.451 180.070 177.584 0.058 0.000 1.186 260 A CA 2.250 54.322 52.037 0.058 0.000 0.624 260 A CB -1.014 18.091 19.000 0.175 0.000 0.822 260 A HN 0.809 nan 8.150 nan 0.000 0.444 261 S N 0.085 115.852 115.700 0.112 0.000 2.399 261 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 261 S C 1.785 176.532 174.600 0.245 0.000 1.022 261 S CA 1.466 59.784 58.200 0.196 0.000 0.983 261 S CB -0.662 62.658 63.200 0.199 0.000 0.803 261 S HN 0.513 nan 8.310 nan 0.000 0.480 262 I N 1.511 122.173 120.570 0.152 0.000 2.193 262 I HA -0.103 4.066 4.170 -0.000 0.000 0.240 262 I C 2.312 178.483 176.117 0.090 0.000 1.084 262 I CA 1.045 62.458 61.300 0.188 0.000 1.365 262 I CB -0.411 37.641 38.000 0.088 0.000 1.064 262 I HN 0.235 nan 8.210 nan 0.000 0.410 263 L N 0.511 121.665 121.223 -0.116 0.000 2.079 263 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 263 L C 2.327 178.981 176.870 -0.360 0.000 1.081 263 L CA 1.348 55.985 54.840 -0.339 0.000 0.752 263 L CB -0.892 40.743 42.059 -0.706 0.000 0.896 263 L HN 0.354 nan 8.230 nan 0.000 0.433 264 N N 0.612 119.169 118.700 -0.240 0.000 2.080 264 N HA -0.244 4.496 4.740 -0.000 0.000 0.189 264 N C 1.793 177.366 175.510 0.106 0.000 1.036 264 N CA 1.310 54.391 53.050 0.051 0.000 0.846 264 N CB -0.307 38.335 38.487 0.258 0.000 1.015 264 N HN 0.231 nan 8.380 nan 0.000 0.423 265 F N 0.917 120.850 119.950 -0.028 0.000 2.120 265 F HA -0.213 4.314 4.527 -0.000 0.000 0.300 265 F C 2.271 178.001 175.800 -0.117 0.000 1.095 265 F CA 1.333 59.242 58.000 -0.153 0.000 1.249 265 F CB -0.764 37.955 39.000 -0.469 0.000 0.995 265 F HN 0.139 nan 8.300 nan 0.000 0.480 266 C N 0.420 119.614 119.300 -0.176 0.000 2.446 266 C HA -0.023 4.437 4.460 -0.000 0.000 0.277 266 C C 3.179 178.050 174.990 -0.197 0.000 1.275 266 C CA 1.079 59.952 59.018 -0.242 0.000 1.727 266 C CB -1.781 25.927 27.740 -0.053 0.000 2.010 266 C HN 0.660 nan 8.230 nan 0.000 0.486 267 A N -0.113 122.649 122.820 -0.095 0.000 1.858 267 A HA -0.262 4.057 4.320 -0.000 0.000 0.216 267 A C 2.031 179.584 177.584 -0.051 0.000 1.190 267 A CA 1.758 53.783 52.037 -0.019 0.000 0.617 267 A CB -0.842 18.221 19.000 0.106 0.000 0.827 267 A HN 0.679 nan 8.150 nan 0.000 0.443 268 Q N -0.561 119.201 119.800 -0.064 0.000 2.308 268 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 268 Q C 0.608 176.513 176.000 -0.158 0.000 0.985 268 Q CA 1.506 57.256 55.803 -0.088 0.000 0.881 268 Q CB -0.037 28.665 28.738 -0.061 0.000 0.917 268 Q HN 0.659 nan 8.270 nan 0.000 0.443 269 N N -0.404 118.133 118.700 -0.272 0.000 2.238 269 N HA 0.029 4.768 4.740 -0.000 0.000 0.235 269 N C -0.707 174.684 175.510 -0.197 0.000 1.209 269 N CA -0.015 52.868 53.050 -0.279 0.000 0.879 269 N CB 0.855 39.035 38.487 -0.512 0.000 1.136 269 N HN 0.100 nan 8.380 nan 0.000 0.517 270 N N 1.179 119.793 118.700 -0.143 0.000 2.714 270 N HA -0.173 4.567 4.740 -0.000 0.000 0.253 270 N C -1.296 174.155 175.510 -0.098 0.000 1.024 270 N CA 0.493 53.487 53.050 -0.093 0.000 0.726 270 N CB -1.366 37.080 38.487 -0.067 0.000 0.908 270 N HN 0.373 nan 8.380 nan 0.000 0.542 271 I N 0.350 120.850 120.570 -0.117 0.000 2.378 271 I HA 0.549 4.718 4.170 -0.000 0.000 0.291 271 I C 0.878 176.965 176.117 -0.049 0.000 0.992 271 I CA -0.765 60.488 61.300 -0.078 0.000 1.154 271 I CB 1.671 39.619 38.000 -0.086 0.000 1.315 271 I HN 0.280 nan 8.210 nan 0.000 0.448 272 A N 6.183 128.965 122.820 -0.064 0.000 2.332 272 A HA 0.715 5.035 4.320 -0.000 0.000 0.258 272 A C -0.420 177.249 177.584 0.141 0.000 1.087 272 A CA -0.284 51.739 52.037 -0.024 0.000 0.802 272 A CB 0.768 19.574 19.000 -0.323 0.000 1.042 272 A HN 0.471 nan 8.150 nan 0.000 0.489 273 V N 1.586 121.672 119.914 0.287 0.000 2.735 273 V HA 0.435 4.555 4.120 -0.000 0.000 0.310 273 V C -0.185 175.990 176.094 0.134 0.000 1.061 273 V CA -0.720 61.693 62.300 0.187 0.000 0.913 273 V CB 1.946 33.798 31.823 0.050 0.000 1.005 273 V HN 0.956 nan 8.190 nan 0.000 0.428 274 R N 2.392 122.864 120.500 -0.047 0.000 2.346 274 R HA 0.595 4.935 4.340 -0.000 0.000 0.311 274 R C 0.305 176.368 176.300 -0.395 0.000 0.983 274 R CA -0.479 55.430 56.100 -0.319 0.000 0.880 274 R CB 1.580 31.667 30.300 -0.356 0.000 1.100 274 R HN 0.876 nan 8.270 nan 0.000 0.453 275 G N 1.268 109.613 108.800 -0.759 0.000 2.403 275 G HA2 0.156 4.116 3.960 -0.000 0.000 0.259 275 G HA3 0.156 4.116 3.960 -0.000 0.000 0.259 275 G C -0.935 173.480 174.900 -0.808 0.000 1.244 275 G CA -0.017 44.229 45.100 -1.423 0.000 0.849 275 G HN 0.650 nan 8.290 nan 0.000 0.532 276 H N -0.098 118.695 119.070 -0.461 0.000 3.172 276 H HA 0.588 5.144 4.556 -0.000 0.000 0.322 276 H C -0.705 174.617 175.328 -0.010 0.000 1.003 276 H CA -0.186 55.766 56.048 -0.160 0.000 1.466 276 H CB 1.772 31.468 29.762 -0.111 0.000 1.673 276 H HN 0.672 nan 8.280 nan 0.000 0.512 277 T N 4.497 118.967 114.554 -0.141 0.000 2.957 277 T HA 0.216 4.566 4.350 -0.000 0.000 0.336 277 T C 0.381 175.153 174.700 0.119 0.000 1.462 277 T CA -0.646 61.394 62.100 -0.100 0.000 1.073 277 T CB 0.973 69.488 68.868 -0.588 0.000 1.319 277 T HN 0.533 nan 8.240 nan 0.000 0.485 278 L N 2.384 123.688 121.223 0.135 0.000 2.209 278 L HA 0.378 4.718 4.340 -0.000 0.000 0.207 278 L C 0.176 177.180 176.870 0.223 0.000 1.094 278 L CA 0.471 55.416 54.840 0.174 0.000 0.790 278 L CB 0.310 42.343 42.059 -0.043 0.000 0.932 278 L HN 0.354 nan 8.230 nan 0.000 0.447 279 V N -1.281 118.700 119.914 0.112 0.000 2.686 279 V HA 0.447 4.567 4.120 -0.000 0.000 0.306 279 V C -1.616 174.627 176.094 0.249 0.000 1.065 279 V CA -0.655 61.699 62.300 0.090 0.000 0.894 279 V CB 2.578 34.260 31.823 -0.235 0.000 1.004 279 V HN 0.180 nan 8.190 nan 0.000 0.424 280 W N 4.720 126.119 121.300 0.165 0.000 3.464 280 W HA 0.438 5.098 4.660 -0.000 0.000 0.292 280 W C 0.757 177.442 176.519 0.277 0.000 1.262 280 W CA -0.945 56.474 57.345 0.124 0.000 1.202 280 W CB 1.177 30.613 29.460 -0.040 0.000 1.334 280 W HN 0.817 nan 8.180 nan 0.000 0.561 281 H N 1.049 120.243 119.070 0.208 0.000 2.529 281 H HA 0.151 4.707 4.556 -0.000 0.000 0.277 281 H C 0.425 175.507 175.328 -0.411 0.000 0.999 281 H CA 0.982 57.038 56.048 0.014 0.000 1.256 281 H CB 0.174 29.943 29.762 0.011 0.000 1.402 281 H HN 0.097 nan 8.280 nan 0.000 0.566 282 S N -0.036 114.725 115.700 -1.565 0.000 2.745 282 S HA 0.145 4.615 4.470 -0.000 0.000 0.292 282 S C 0.044 174.119 174.600 -0.875 0.000 1.133 282 S CA -0.491 56.878 58.200 -1.384 0.000 0.998 282 S CB 0.941 62.887 63.200 -2.090 0.000 1.087 282 S HN 0.531 nan 8.310 nan 0.000 0.551 283 Q N 0.136 119.624 119.800 -0.521 0.000 2.434 283 Q HA -0.157 4.183 4.340 -0.000 0.000 0.299 283 Q C -0.880 175.099 176.000 -0.035 0.000 1.286 283 Q CA 0.897 56.604 55.803 -0.159 0.000 0.872 283 Q CB -2.035 26.703 28.738 0.001 0.000 1.193 283 Q HN 0.572 nan 8.270 nan 0.000 0.466 284 T N 0.588 115.132 114.554 -0.016 0.000 2.879 284 T HA 0.464 4.814 4.350 -0.000 0.000 0.290 284 T C -2.520 172.242 174.700 0.103 0.000 0.993 284 T CA -1.351 60.770 62.100 0.035 0.000 0.975 284 T CB 1.916 70.926 68.868 0.237 0.000 0.981 284 T HN -0.118 nan 8.240 nan 0.000 0.439 285 P HA 0.167 nan 4.420 nan 0.000 0.268 285 P C 0.736 177.883 177.300 -0.254 0.000 1.205 285 P CA -0.235 62.700 63.100 -0.273 0.000 0.771 285 P CB 0.724 31.936 31.700 -0.813 0.000 0.858 286 Q N 3.140 122.778 119.800 -0.271 0.000 2.170 286 Q HA -0.142 4.197 4.340 -0.000 0.000 0.203 286 Q C 1.458 177.354 176.000 -0.175 0.000 0.976 286 Q CA 1.420 56.955 55.803 -0.447 0.000 0.858 286 Q CB -0.236 27.905 28.738 -0.994 0.000 0.907 286 Q HN 0.691 nan 8.270 nan 0.000 0.433 287 W N -0.752 120.494 121.300 -0.090 0.000 2.468 287 W HA -0.167 4.493 4.660 -0.000 0.000 0.262 287 W C 1.115 177.577 176.519 -0.094 0.000 1.241 287 W CA -0.173 57.115 57.345 -0.094 0.000 1.232 287 W CB -0.815 28.639 29.460 -0.009 0.000 1.124 287 W HN 0.134 nan 8.180 nan 0.000 0.597 288 F N 1.226 120.770 119.950 -0.677 0.000 2.546 288 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 288 F C 0.872 176.177 175.800 -0.825 0.000 1.120 288 F CA 0.274 57.742 58.000 -0.887 0.000 1.456 288 F CB -0.668 37.495 39.000 -1.395 0.000 1.088 288 F HN -0.240 nan 8.300 nan 0.000 0.572 289 F N -0.275 119.475 119.950 -0.333 0.000 2.661 289 F HA 0.287 4.814 4.527 -0.000 0.000 0.306 289 F C 0.262 175.875 175.800 -0.311 0.000 1.094 289 F CA -0.327 57.462 58.000 -0.352 0.000 1.254 289 F CB -0.054 38.869 39.000 -0.129 0.000 1.040 289 F HN -0.430 nan 8.300 nan 0.000 0.562 290 K N 0.903 121.151 120.400 -0.252 0.000 2.270 290 K HA 0.184 4.504 4.320 -0.000 0.000 0.255 290 K C 0.489 176.884 176.600 -0.343 0.000 0.936 290 K CA -0.294 55.819 56.287 -0.290 0.000 0.809 290 K CB 1.488 33.816 32.500 -0.287 0.000 1.131 290 K HN 0.004 nan 8.250 nan 0.000 0.427 291 D N 1.346 121.596 120.400 -0.251 0.000 2.191 291 D HA -0.257 4.383 4.640 -0.000 0.000 0.195 291 D C 0.529 176.719 176.300 -0.184 0.000 1.003 291 D CA 1.786 55.662 54.000 -0.207 0.000 0.867 291 D CB -0.165 40.569 40.800 -0.110 0.000 0.926 291 D HN 0.595 nan 8.370 nan 0.000 0.450 292 N N -1.346 117.279 118.700 -0.126 0.000 2.275 292 N HA 0.076 4.816 4.740 -0.000 0.000 0.236 292 N C -0.239 175.365 175.510 0.156 0.000 1.154 292 N CA -0.754 52.314 53.050 0.031 0.000 0.866 292 N CB -0.908 37.585 38.487 0.009 0.000 1.093 292 N HN 0.115 nan 8.380 nan 0.000 0.515 293 F N -1.442 118.516 119.950 0.013 0.000 3.093 293 F HA -0.268 4.259 4.527 -0.000 0.000 0.287 293 F C 0.258 176.036 175.800 -0.038 0.000 0.882 293 F CA 0.576 58.604 58.000 0.046 0.000 1.063 293 F CB -1.927 37.021 39.000 -0.087 0.000 1.097 293 F HN 0.249 nan 8.300 nan 0.000 0.604 294 Q N -0.318 119.539 119.800 0.094 0.000 2.377 294 Q HA 0.382 4.722 4.340 -0.000 0.000 0.271 294 Q C 0.849 176.872 176.000 0.038 0.000 1.077 294 Q CA -0.635 55.197 55.803 0.047 0.000 0.820 294 Q CB 1.474 30.201 28.738 -0.017 0.000 1.347 294 Q HN 0.030 nan 8.270 nan 0.000 0.444 295 D N 0.859 121.293 120.400 0.057 0.000 2.149 295 D HA -0.181 4.458 4.640 -0.000 0.000 0.194 295 D C 0.677 176.870 176.300 -0.178 0.000 1.001 295 D CA 1.481 55.455 54.000 -0.044 0.000 0.849 295 D CB 0.083 40.868 40.800 -0.025 0.000 0.939 295 D HN 0.636 nan 8.370 nan 0.000 0.449 296 N N 0.163 118.779 118.700 -0.141 0.000 2.295 296 N HA 0.095 4.835 4.740 -0.000 0.000 0.221 296 N C 0.818 176.208 175.510 -0.200 0.000 1.129 296 N CA -0.093 52.849 53.050 -0.180 0.000 0.836 296 N CB -0.213 38.204 38.487 -0.116 0.000 1.040 296 N HN -0.033 nan 8.380 nan 0.000 0.494 297 G N 0.322 108.995 108.800 -0.212 0.000 2.479 297 G HA2 0.135 4.095 3.960 -0.000 0.000 0.275 297 G HA3 0.135 4.095 3.960 -0.000 0.000 0.275 297 G C -0.427 174.291 174.900 -0.304 0.000 1.421 297 G CA -0.625 44.350 45.100 -0.208 0.000 1.059 297 G HN 0.432 nan 8.290 nan 0.000 0.535 298 N N -1.342 117.208 118.700 -0.250 0.000 2.487 298 N HA 0.294 5.034 4.740 -0.000 0.000 0.292 298 N C -0.891 174.459 175.510 -0.267 0.000 1.108 298 N CA -0.565 52.330 53.050 -0.258 0.000 0.956 298 N CB 1.194 39.619 38.487 -0.103 0.000 1.176 298 N HN 0.557 nan 8.380 nan 0.000 0.484 299 W N 1.410 122.658 121.300 -0.087 0.000 2.314 299 W HA 0.112 4.772 4.660 -0.000 0.000 0.339 299 W C 0.760 177.210 176.519 -0.114 0.000 1.293 299 W CA -0.822 56.461 57.345 -0.104 0.000 1.288 299 W CB -0.001 29.396 29.460 -0.105 0.000 1.186 299 W HN 0.140 nan 8.180 nan 0.000 0.566 300 V N 1.059 121.038 119.914 0.108 0.000 3.214 300 V HA 0.540 4.660 4.120 -0.000 0.000 0.306 300 V C 0.544 176.627 176.094 -0.018 0.000 1.078 300 V CA -1.000 61.291 62.300 -0.015 0.000 1.077 300 V CB 0.787 32.545 31.823 -0.107 0.000 1.121 300 V HN 0.564 nan 8.190 nan 0.000 0.468 301 S N 0.821 116.496 115.700 -0.042 0.000 2.624 301 S HA 0.229 4.699 4.470 -0.000 0.000 0.263 301 S C 0.805 175.336 174.600 -0.115 0.000 1.287 301 S CA -0.109 58.057 58.200 -0.056 0.000 0.990 301 S CB 0.804 63.990 63.200 -0.025 0.000 0.950 301 S HN 0.797 nan 8.310 nan 0.000 0.561 302 Q N 0.717 120.425 119.800 -0.153 0.000 2.135 302 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 302 Q C 2.423 178.413 176.000 -0.017 0.000 0.981 302 Q CA 1.857 57.523 55.803 -0.229 0.000 0.856 302 Q CB -0.396 28.267 28.738 -0.126 0.000 0.902 302 Q HN 0.968 nan 8.270 nan 0.000 0.425 303 S N -0.587 115.129 115.700 0.027 0.000 2.425 303 S HA 0.025 4.495 4.470 -0.000 0.000 0.225 303 S C 1.269 175.913 174.600 0.072 0.000 1.024 303 S CA -0.127 58.124 58.200 0.085 0.000 0.951 303 S CB -0.305 62.939 63.200 0.074 0.000 0.796 303 S HN 0.021 nan 8.310 nan 0.000 0.498 307 Q N 1.058 120.941 119.800 0.137 0.000 2.061 307 Q HA -0.071 4.268 4.340 -0.000 0.000 0.204 307 Q C 1.914 177.963 176.000 0.081 0.000 0.984 307 Q CA 1.342 57.193 55.803 0.081 0.000 0.846 307 Q CB -0.005 28.783 28.738 0.084 0.000 0.902 307 Q HN 0.258 nan 8.270 nan 0.000 0.421 308 R N 0.264 120.818 120.500 0.091 0.000 2.092 308 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 308 R C 2.348 178.804 176.300 0.260 0.000 1.119 308 R CA 0.921 57.098 56.100 0.128 0.000 0.970 308 R CB -0.462 29.770 30.300 -0.114 0.000 0.864 308 R HN 0.158 nan 8.270 nan 0.000 0.440 309 L N 1.628 123.013 121.223 0.269 0.000 2.017 309 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 309 L C 2.261 179.259 176.870 0.213 0.000 1.073 309 L CA 1.870 56.973 54.840 0.438 0.000 0.745 309 L CB -0.464 41.937 42.059 0.570 0.000 0.894 309 L HN 0.162 nan 8.230 nan 0.000 0.432 310 E N -1.467 118.625 120.200 -0.181 0.000 2.072 310 E HA -0.223 4.126 4.350 -0.000 0.000 0.191 310 E C 2.265 178.771 176.600 -0.158 0.000 0.985 310 E CA 1.153 57.237 56.400 -0.526 0.000 0.801 310 E CB -0.139 29.084 29.700 -0.796 0.000 0.750 310 E HN 0.558 nan 8.360 nan 0.000 0.452 311 S N -0.656 115.027 115.700 -0.028 0.000 2.368 311 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 311 S C 1.906 176.538 174.600 0.053 0.000 1.030 311 S CA 1.326 59.533 58.200 0.011 0.000 0.999 311 S CB -0.517 62.743 63.200 0.100 0.000 0.844 311 S HN 0.543 nan 8.310 nan 0.000 0.459 312 Y N 1.747 122.103 120.300 0.095 0.000 2.181 312 Y HA -0.051 4.499 4.550 -0.000 0.000 0.288 312 Y C 1.867 177.760 175.900 -0.012 0.000 1.146 312 Y CA 1.681 59.830 58.100 0.081 0.000 1.164 312 Y CB -0.463 38.113 38.460 0.194 0.000 0.982 312 Y HN 0.317 nan 8.280 nan 0.000 0.515 313 I N 0.199 120.700 120.570 -0.116 0.000 2.202 313 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 313 I C 2.594 178.603 176.117 -0.179 0.000 1.091 313 I CA 1.672 62.867 61.300 -0.175 0.000 1.368 313 I CB -0.481 37.597 38.000 0.130 0.000 1.058 313 I HN 0.136 nan 8.210 nan 0.000 0.410 314 K N 1.021 121.190 120.400 -0.385 0.000 2.032 314 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 314 K C 0.887 177.280 176.600 -0.345 0.000 1.048 314 K CA 1.261 57.073 56.287 -0.792 0.000 0.927 314 K CB -0.006 31.823 32.500 -1.119 0.000 0.712 314 K HN 0.240 nan 8.250 nan 0.000 0.441 318 A N 0.409 123.289 122.820 0.100 0.000 1.908 318 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 318 A C 2.005 179.604 177.584 0.025 0.000 1.181 318 A CA 2.228 54.297 52.037 0.054 0.000 0.627 318 A CB -0.424 18.581 19.000 0.009 0.000 0.818 318 A HN 0.347 nan 8.150 nan 0.000 0.445 319 E N -0.292 119.904 120.200 -0.006 0.000 2.107 319 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 319 E C 1.985 178.569 176.600 -0.026 0.000 0.982 319 E CA 0.774 57.154 56.400 -0.034 0.000 0.809 319 E CB -0.347 29.336 29.700 -0.028 0.000 0.756 319 E HN 0.738 nan 8.360 nan 0.000 0.459 320 I N 1.091 121.684 120.570 0.038 0.000 2.179 320 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 320 I C 2.681 178.858 176.117 0.100 0.000 1.088 320 I CA 1.106 62.472 61.300 0.109 0.000 1.357 320 I CB -0.172 37.913 38.000 0.141 0.000 1.051 320 I HN 0.066 nan 8.210 nan 0.000 0.409 321 Q N 1.348 121.205 119.800 0.095 0.000 2.030 321 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 321 Q C 2.262 178.252 176.000 -0.017 0.000 0.986 321 Q CA 1.859 57.704 55.803 0.069 0.000 0.843 321 Q CB -0.345 28.447 28.738 0.089 0.000 0.904 321 Q HN 0.270 nan 8.270 nan 0.000 0.420 322 R N -0.661 119.799 120.500 -0.067 0.000 2.083 322 R HA -0.171 4.168 4.340 -0.000 0.000 0.237 322 R C 2.075 178.118 176.300 -0.428 0.000 1.137 322 R CA 2.112 58.111 56.100 -0.168 0.000 0.951 322 R CB -0.031 30.181 30.300 -0.146 0.000 0.851 322 R HN 0.441 nan 8.270 nan 0.000 0.434 323 Q N -1.990 117.478 119.800 -0.554 0.000 2.391 323 Q HA -0.004 4.336 4.340 -0.000 0.000 0.211 323 Q C -0.199 175.173 176.000 -1.046 0.000 0.908 323 Q CA 0.538 55.660 55.803 -1.135 0.000 0.920 323 Q CB 0.810 28.900 28.738 -1.081 0.000 1.056 323 Q HN 0.355 nan 8.270 nan 0.000 0.523 324 Y N -0.246 119.990 120.300 -0.107 0.000 2.624 324 Y HA 0.221 4.771 4.550 -0.000 0.000 0.302 324 Y C -1.906 174.006 175.900 0.019 0.000 0.939 324 Y CA -1.955 56.143 58.100 -0.003 0.000 1.116 324 Y CB 0.971 39.440 38.460 0.016 0.000 1.173 324 Y HN 0.047 nan 8.280 nan 0.000 0.631 325 P HA -0.173 nan 4.420 nan 0.000 0.219 325 P C 1.398 178.755 177.300 0.096 0.000 1.146 325 P CA 1.710 64.855 63.100 0.075 0.000 0.808 325 P CB 0.299 32.023 31.700 0.040 0.000 0.779 326 S N -1.616 114.149 115.700 0.108 0.000 2.593 326 S HA 0.065 4.535 4.470 -0.000 0.000 0.217 326 S C 0.681 175.340 174.600 0.098 0.000 0.966 326 S CA -0.527 57.726 58.200 0.089 0.000 0.914 326 S CB -1.154 62.088 63.200 0.070 0.000 0.776 326 S HN 0.012 nan 8.310 nan 0.000 0.523 327 L N 2.939 124.244 121.223 0.136 0.000 2.367 327 L HA 0.447 4.787 4.340 -0.000 0.000 0.275 327 L C -0.009 176.927 176.870 0.110 0.000 1.129 327 L CA -0.120 54.789 54.840 0.114 0.000 0.839 327 L CB 0.480 42.617 42.059 0.130 0.000 1.133 327 L HN 0.110 nan 8.230 nan 0.000 0.453 328 N N 4.728 123.482 118.700 0.090 0.000 2.605 328 N HA 0.051 4.791 4.740 -0.000 0.000 0.258 328 N C -0.727 174.893 175.510 0.183 0.000 1.156 328 N CA -0.302 52.817 53.050 0.115 0.000 1.008 328 N CB -0.119 38.408 38.487 0.066 0.000 1.354 328 N HN 0.610 nan 8.380 nan 0.000 0.509 329 L N 5.694 127.035 121.223 0.196 0.000 2.415 329 L HA 0.115 4.455 4.340 -0.000 0.000 0.269 329 L C 0.673 177.704 176.870 0.269 0.000 1.244 329 L CA -0.041 54.932 54.840 0.221 0.000 1.113 329 L CB -0.764 41.441 42.059 0.243 0.000 1.352 329 L HN 0.504 nan 8.230 nan 0.000 0.433 330 Y N 2.536 122.888 120.300 0.087 0.000 2.519 330 Y HA 0.631 5.181 4.550 -0.000 0.000 0.287 330 Y C 0.626 176.609 175.900 0.138 0.000 1.128 330 Y CA 0.009 58.170 58.100 0.102 0.000 1.282 330 Y CB -0.048 38.457 38.460 0.075 0.000 1.027 330 Y HN 0.493 nan 8.280 nan 0.000 0.551 331 A N -0.374 122.268 122.820 -0.296 0.000 2.606 331 A HA 0.644 4.964 4.320 -0.000 0.000 0.293 331 A C -2.302 175.247 177.584 -0.058 0.000 1.082 331 A CA -0.660 51.243 52.037 -0.224 0.000 0.685 331 A CB 0.959 19.532 19.000 -0.711 0.000 1.284 331 A HN 0.351 nan 8.150 nan 0.000 0.408 332 Y N 0.551 120.877 120.300 0.043 0.000 2.470 332 Y HA 0.358 4.908 4.550 -0.000 0.000 0.341 332 Y C -0.940 174.998 175.900 0.065 0.000 1.021 332 Y CA -0.690 57.437 58.100 0.046 0.000 1.025 332 Y CB 2.046 40.590 38.460 0.140 0.000 1.266 332 Y HN 0.692 nan 8.280 nan 0.000 0.448 333 D N 4.680 125.236 120.400 0.260 0.000 2.359 333 D HA 0.083 4.723 4.640 -0.000 0.000 0.250 333 D C 0.828 177.212 176.300 0.140 0.000 1.264 333 D CA 0.393 54.495 54.000 0.171 0.000 0.911 333 D CB 1.643 42.493 40.800 0.083 0.000 1.056 333 D HN 0.371 nan 8.370 nan 0.000 0.499 334 V N 2.332 122.225 119.914 -0.035 0.000 2.283 334 V HA -0.092 4.027 4.120 -0.000 0.000 0.243 334 V C 1.043 177.001 176.094 -0.228 0.000 1.039 334 V CA 0.961 63.071 62.300 -0.316 0.000 1.016 334 V CB 0.158 31.373 31.823 -1.014 0.000 0.650 334 V HN 0.288 nan 8.190 nan 0.000 0.449 335 V N 0.636 120.479 119.914 -0.118 0.000 2.604 335 V HA 0.487 4.606 4.120 -0.000 0.000 0.305 335 V C -0.767 175.274 176.094 -0.088 0.000 1.043 335 V CA -0.731 61.604 62.300 0.057 0.000 0.888 335 V CB 1.773 33.794 31.823 0.329 0.000 0.995 335 V HN 0.441 nan 8.190 nan 0.000 0.429 336 N N 2.349 121.001 118.700 -0.080 0.000 2.342 336 N HA 0.629 5.369 4.740 -0.000 0.000 0.293 336 N C 0.161 175.682 175.510 0.018 0.000 1.026 336 N CA 0.360 53.248 53.050 -0.271 0.000 0.857 336 N CB 1.631 39.751 38.487 -0.612 0.000 1.256 336 N HN 1.135 nan 8.380 nan 0.000 0.484 337 A N 2.050 124.860 122.820 -0.018 0.000 2.745 337 A HA -0.172 4.148 4.320 -0.000 0.000 0.296 337 A C 1.141 179.035 177.584 0.516 0.000 1.500 337 A CA 1.263 53.498 52.037 0.331 0.000 0.766 337 A CB -2.006 17.383 19.000 0.649 0.000 1.030 337 A HN 0.871 nan 8.150 nan 0.000 0.489 338 A N -1.115 121.994 122.820 0.482 0.000 2.178 338 A HA 0.478 4.797 4.320 -0.000 0.000 0.211 338 A C 0.910 178.667 177.584 0.288 0.000 1.157 338 A CA 1.065 53.384 52.037 0.471 0.000 0.780 338 A CB 0.149 19.447 19.000 0.497 0.000 0.828 338 A HN 1.184 nan 8.150 nan 0.000 0.476 339 V N 0.991 121.046 119.914 0.234 0.000 2.498 339 V HA 0.296 4.416 4.120 -0.000 0.000 0.279 339 V C 0.869 177.000 176.094 0.061 0.000 1.048 339 V CA -0.323 62.033 62.300 0.094 0.000 0.967 339 V CB 1.366 33.210 31.823 0.035 0.000 0.988 339 V HN 0.394 nan 8.190 nan 0.000 0.473 340 S N 2.627 118.357 115.700 0.050 0.000 2.572 340 S HA 0.040 4.509 4.470 -0.000 0.000 0.279 340 S C 0.917 175.563 174.600 0.077 0.000 1.341 340 S CA -0.418 57.815 58.200 0.055 0.000 1.043 340 S CB 0.498 63.720 63.200 0.036 0.000 0.887 340 S HN 0.789 nan 8.310 nan 0.000 0.516 341 D N 1.212 121.701 120.400 0.148 0.000 2.347 341 D HA 0.022 4.662 4.640 -0.000 0.000 0.215 341 D C -0.049 176.370 176.300 0.199 0.000 0.976 341 D CA 0.520 54.685 54.000 0.274 0.000 0.884 341 D CB -0.048 41.035 40.800 0.472 0.000 0.915 341 D HN 0.598 nan 8.370 nan 0.000 0.526 342 D N 0.154 120.608 120.400 0.090 0.000 2.317 342 D HA 0.207 4.847 4.640 -0.000 0.000 0.252 342 D C 1.042 177.223 176.300 -0.198 0.000 1.174 342 D CA -0.302 53.685 54.000 -0.021 0.000 0.866 342 D CB 1.462 42.271 40.800 0.015 0.000 1.127 342 D HN -0.088 nan 8.370 nan 0.000 0.467 343 A N 4.433 126.943 122.820 -0.517 0.000 2.024 343 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 343 A C 1.927 179.382 177.584 -0.214 0.000 1.164 343 A CA 1.674 53.298 52.037 -0.688 0.000 0.643 343 A CB -0.572 17.943 19.000 -0.808 0.000 0.806 343 A HN 0.709 nan 8.150 nan 0.000 0.451 344 N N -0.546 118.120 118.700 -0.056 0.000 2.188 344 N HA -0.137 4.602 4.740 -0.000 0.000 0.184 344 N C 1.824 177.490 175.510 0.259 0.000 1.018 344 N CA 1.258 54.398 53.050 0.149 0.000 0.858 344 N CB -0.094 38.481 38.487 0.146 0.000 0.989 344 N HN 0.338 nan 8.380 nan 0.000 0.426 345 R N -0.500 120.089 120.500 0.148 0.000 2.119 345 R HA 0.033 4.373 4.340 -0.000 0.000 0.222 345 R C 2.010 178.408 176.300 0.164 0.000 1.088 345 R CA 1.518 57.745 56.100 0.212 0.000 0.984 345 R CB -1.219 29.109 30.300 0.045 0.000 0.884 345 R HN 0.517 nan 8.270 nan 0.000 0.447 346 T N -1.113 113.471 114.554 0.049 0.000 2.904 346 T HA -0.062 4.288 4.350 -0.000 0.000 0.267 346 T C 2.047 176.703 174.700 -0.073 0.000 1.059 346 T CA 0.808 62.911 62.100 0.006 0.000 1.137 346 T CB -0.026 68.866 68.868 0.039 0.000 0.879 346 T HN 0.141 nan 8.240 nan 0.000 0.467 347 R N 0.077 120.490 120.500 -0.145 0.000 2.057 347 R HA 0.010 4.350 4.340 -0.000 0.000 0.229 347 R C 1.465 177.468 176.300 -0.495 0.000 1.136 347 R CA 1.398 57.257 56.100 -0.402 0.000 0.952 347 R CB -0.260 29.666 30.300 -0.622 0.000 0.848 347 R HN 0.517 nan 8.270 nan 0.000 0.430 348 Y N -2.571 117.714 120.300 -0.025 0.000 2.444 348 Y HA 0.214 4.764 4.550 -0.000 0.000 0.249 348 Y C 0.048 175.711 175.900 -0.394 0.000 1.134 348 Y CA -0.181 57.798 58.100 -0.202 0.000 1.261 348 Y CB 0.796 39.086 38.460 -0.283 0.000 1.143 348 Y HN 0.044 nan 8.280 nan 0.000 0.523 349 Y N -0.999 119.350 120.300 0.083 0.000 2.721 349 Y HA 0.423 4.973 4.550 -0.000 0.000 0.251 349 Y C 1.471 177.377 175.900 0.009 0.000 1.136 349 Y CA -0.485 57.646 58.100 0.052 0.000 1.142 349 Y CB 0.970 39.464 38.460 0.057 0.000 1.212 349 Y HN 0.088 nan 8.280 nan 0.000 0.565 350 G N 0.461 109.303 108.800 0.069 0.000 2.212 350 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.267 350 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.267 350 G C 1.325 176.231 174.900 0.011 0.000 1.002 350 G CA 0.699 45.803 45.100 0.007 0.000 0.729 350 G HN 1.271 nan 8.290 nan 0.000 0.517 351 G N -1.855 106.979 108.800 0.057 0.000 2.176 351 G HA2 0.175 4.135 3.960 -0.000 0.000 0.253 351 G HA3 0.175 4.135 3.960 -0.000 0.000 0.253 351 G C 0.857 175.796 174.900 0.065 0.000 0.979 351 G CA 1.098 46.223 45.100 0.042 0.000 0.641 351 G HN 2.299 nan 8.290 nan 0.000 0.530 352 A N 0.770 123.650 122.820 0.100 0.000 2.546 352 A HA 0.555 4.875 4.320 -0.000 0.000 0.243 352 A C 1.077 178.689 177.584 0.047 0.000 1.063 352 A CA 0.580 52.681 52.037 0.107 0.000 0.757 352 A CB 0.112 19.195 19.000 0.137 0.000 0.991 352 A HN 0.624 nan 8.150 nan 0.000 0.503 353 R N 1.454 121.986 120.500 0.052 0.000 2.905 353 R HA 0.079 4.419 4.340 -0.000 0.000 0.273 353 R C -0.002 176.258 176.300 -0.067 0.000 1.033 353 R CA -0.118 55.967 56.100 -0.025 0.000 1.182 353 R CB 0.305 30.564 30.300 -0.068 0.000 1.097 353 R HN 0.726 nan 8.270 nan 0.000 0.504 354 E N 2.879 123.014 120.200 -0.109 0.000 2.392 354 E HA 0.078 4.428 4.350 -0.000 0.000 0.264 354 E C -2.027 174.501 176.600 -0.120 0.000 1.024 354 E CA -1.576 54.745 56.400 -0.133 0.000 0.903 354 E CB 0.189 29.816 29.700 -0.121 0.000 0.963 354 E HN 0.343 nan 8.360 nan 0.000 0.432 355 P HA 0.130 nan 4.420 nan 0.000 0.269 355 P C 0.283 177.465 177.300 -0.196 0.000 1.209 355 P CA 0.317 63.303 63.100 -0.190 0.000 0.776 355 P CB 0.891 32.465 31.700 -0.210 0.000 0.876 356 G N 1.144 109.786 108.800 -0.263 0.000 2.293 356 G HA2 0.114 4.074 3.960 -0.000 0.000 0.282 356 G HA3 0.114 4.074 3.960 -0.000 0.000 0.282 356 G C -2.456 172.447 174.900 0.005 0.000 1.299 356 G CA -0.720 44.305 45.100 -0.124 0.000 1.018 356 G HN 0.521 nan 8.290 nan 0.000 0.478 357 Y N 0.936 121.233 120.300 -0.006 0.000 2.386 357 Y HA 0.592 5.142 4.550 -0.000 0.000 0.334 357 Y C 0.402 176.305 175.900 0.006 0.000 1.002 357 Y CA 1.169 59.274 58.100 0.010 0.000 1.068 357 Y CB 1.654 40.181 38.460 0.112 0.000 1.203 357 Y HN 2.564 nan 8.280 nan 0.000 0.443 358 G N 4.592 113.081 108.800 -0.517 0.000 2.662 358 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.686 358 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.686 358 G C -0.152 174.656 174.900 -0.153 0.000 1.271 358 G CA -0.340 44.561 45.100 -0.331 0.000 0.816 358 G HN 1.199 nan 8.290 nan 0.000 0.608 359 N N -0.701 117.939 118.700 -0.099 0.000 2.741 359 N HA -0.209 4.531 4.740 -0.000 0.000 0.250 359 N C 1.602 177.101 175.510 -0.017 0.000 1.115 359 N CA 2.402 55.431 53.050 -0.034 0.000 0.724 359 N CB -0.895 37.580 38.487 -0.021 0.000 1.090 359 N HN 2.611 nan 8.380 nan 0.000 0.558 360 G N -0.391 108.404 108.800 -0.008 0.000 2.175 360 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 360 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 360 G C 0.217 175.022 174.900 -0.159 0.000 0.982 360 G CA 0.606 45.683 45.100 -0.038 0.000 0.641 360 G HN 0.474 nan 8.290 nan 0.000 0.527 361 R N 0.354 120.787 120.500 -0.111 0.000 2.637 361 R HA 0.569 4.909 4.340 -0.000 0.000 0.269 361 R C 0.254 176.473 176.300 -0.136 0.000 1.089 361 R CA 0.580 56.606 56.100 -0.124 0.000 1.177 361 R CB 0.992 31.238 30.300 -0.089 0.000 1.091 361 R HN 0.289 nan 8.270 nan 0.000 0.540 362 S N 1.211 116.837 115.700 -0.123 0.000 2.605 362 S HA 0.311 4.781 4.470 -0.000 0.000 0.308 362 S C -1.929 172.536 174.600 -0.225 0.000 1.113 362 S CA -1.866 56.289 58.200 -0.075 0.000 1.049 362 S CB 1.513 64.739 63.200 0.044 0.000 1.001 362 S HN 0.413 nan 8.310 nan 0.000 0.480 363 P HA 0.011 nan 4.420 nan 0.000 0.223 363 P C 0.725 177.502 177.300 -0.872 0.000 1.151 363 P CA 0.749 63.351 63.100 -0.829 0.000 0.787 363 P CB -0.029 30.823 31.700 -1.413 0.000 0.788 364 W N 0.154 121.157 121.300 -0.494 0.000 2.381 364 W HA -0.095 4.565 4.660 -0.000 0.000 0.301 364 W C 2.444 178.829 176.519 -0.223 0.000 1.205 364 W CA 0.508 57.571 57.345 -0.470 0.000 1.285 364 W CB -1.322 27.363 29.460 -1.292 0.000 1.133 364 W HN -0.270 nan 8.180 nan 0.000 0.521 365 V N 0.107 120.053 119.914 0.053 0.000 2.427 365 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 365 V C 2.220 178.285 176.094 -0.048 0.000 1.051 365 V CA 2.059 64.450 62.300 0.152 0.000 1.048 365 V CB -1.091 30.810 31.823 0.130 0.000 0.666 365 V HN 0.133 nan 8.190 nan 0.000 0.456 366 Q N 0.444 120.071 119.800 -0.288 0.000 2.133 366 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 366 Q C 1.918 177.642 176.000 -0.460 0.000 0.991 366 Q CA 2.246 57.721 55.803 -0.546 0.000 0.867 366 Q CB -0.268 27.812 28.738 -1.096 0.000 0.911 366 Q HN 0.508 nan 8.270 nan 0.000 0.417 367 I N -1.074 119.293 120.570 -0.339 0.000 2.333 367 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 367 I C 1.415 177.380 176.117 -0.254 0.000 1.106 367 I CA 1.308 62.428 61.300 -0.300 0.000 1.411 367 I CB -1.037 36.752 38.000 -0.352 0.000 1.082 367 I HN 0.228 nan 8.210 nan 0.000 0.420 368 Y N 0.534 120.877 120.300 0.070 0.000 2.458 368 Y HA 0.354 4.904 4.550 -0.000 0.000 0.254 368 Y C 1.975 177.956 175.900 0.135 0.000 1.120 368 Y CA 0.587 58.788 58.100 0.169 0.000 1.282 368 Y CB 0.142 38.814 38.460 0.354 0.000 1.109 368 Y HN 0.318 nan 8.280 nan 0.000 0.526 369 G N 0.072 108.995 108.800 0.206 0.000 2.199 369 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 369 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 369 G C -0.223 174.784 174.900 0.179 0.000 0.982 369 G CA 0.500 45.681 45.100 0.136 0.000 0.632 369 G HN 0.382 nan 8.290 nan 0.000 0.529 370 D N -2.246 118.313 120.400 0.264 0.000 2.755 370 D HA 0.279 4.919 4.640 -0.000 0.000 0.277 370 D C -0.042 176.415 176.300 0.262 0.000 1.261 370 D CA -0.624 53.511 54.000 0.226 0.000 0.759 370 D CB -0.253 40.660 40.800 0.190 0.000 1.279 370 D HN -0.160 nan 8.370 nan 0.000 0.420 371 N N 0.344 119.084 118.700 0.067 0.000 2.421 371 N HA 0.016 4.756 4.740 -0.000 0.000 0.201 371 N C 1.069 176.328 175.510 -0.419 0.000 1.198 371 N CA 0.207 53.107 53.050 -0.249 0.000 0.838 371 N CB -0.011 38.325 38.487 -0.253 0.000 1.011 371 N HN 0.385 nan 8.380 nan 0.000 0.463 372 K N 0.155 120.469 120.400 -0.144 0.000 2.280 372 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 372 K C 1.514 177.957 176.600 -0.262 0.000 1.047 372 K CA 0.919 57.122 56.287 -0.140 0.000 0.942 372 K CB -0.605 31.910 32.500 0.025 0.000 0.739 372 K HN 0.255 nan 8.250 nan 0.000 0.457 373 F N 0.895 120.670 119.950 -0.291 0.000 2.333 373 F HA 0.059 4.586 4.527 -0.000 0.000 0.300 373 F C 1.656 177.312 175.800 -0.239 0.000 1.083 373 F CA 0.309 58.007 58.000 -0.502 0.000 1.395 373 F CB -0.555 38.031 39.000 -0.691 0.000 1.056 373 F HN -0.147 nan 8.300 nan 0.000 0.529 374 I N 1.093 121.203 120.570 -0.767 0.000 2.163 374 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 374 I C 2.701 178.808 176.117 -0.017 0.000 1.085 374 I CA 2.210 63.305 61.300 -0.342 0.000 1.347 374 I CB -0.685 37.087 38.000 -0.381 0.000 1.044 374 I HN 0.326 nan 8.210 nan 0.000 0.408 375 E N 1.597 121.723 120.200 -0.123 0.000 2.152 375 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 375 E C 2.129 178.688 176.600 -0.068 0.000 0.983 375 E CA 0.959 57.316 56.400 -0.073 0.000 0.818 375 E CB 0.134 29.755 29.700 -0.133 0.000 0.758 375 E HN 0.386 nan 8.360 nan 0.000 0.467 376 K N 0.408 120.730 120.400 -0.130 0.000 2.009 376 K HA -0.156 4.164 4.320 -0.000 0.000 0.210 376 K C 2.262 178.700 176.600 -0.269 0.000 1.049 376 K CA 1.327 57.464 56.287 -0.249 0.000 0.929 376 K CB -0.252 32.168 32.500 -0.134 0.000 0.714 376 K HN 0.153 nan 8.250 nan 0.000 0.440 377 A N 0.831 123.634 122.820 -0.028 0.000 1.940 377 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 377 A C 1.982 179.557 177.584 -0.015 0.000 1.176 377 A CA 1.364 53.426 52.037 0.041 0.000 0.631 377 A CB -0.731 18.261 19.000 -0.013 0.000 0.814 377 A HN 0.226 nan 8.150 nan 0.000 0.446 378 F N 0.280 120.199 119.950 -0.051 0.000 2.259 378 F HA -0.092 4.434 4.527 -0.000 0.000 0.298 378 F C 2.722 178.484 175.800 -0.064 0.000 1.088 378 F CA 1.705 59.686 58.000 -0.032 0.000 1.358 378 F CB -0.510 38.459 39.000 -0.051 0.000 1.040 378 F HN 0.139 nan 8.300 nan 0.000 0.505 379 T N -0.826 113.739 114.554 0.018 0.000 2.674 379 T HA -0.226 4.124 4.350 -0.000 0.000 0.265 379 T C 1.607 176.281 174.700 -0.043 0.000 1.039 379 T CA 1.679 63.721 62.100 -0.095 0.000 1.150 379 T CB -0.542 68.177 68.868 -0.248 0.000 0.864 379 T HN 0.140 nan 8.240 nan 0.000 0.427 380 Y N 1.486 121.839 120.300 0.088 0.000 2.242 380 Y HA 0.125 4.674 4.550 -0.000 0.000 0.291 380 Y C 2.704 178.689 175.900 0.140 0.000 1.137 380 Y CA -0.010 58.174 58.100 0.139 0.000 1.181 380 Y CB -1.245 37.361 38.460 0.243 0.000 0.989 380 Y HN 0.203 nan 8.280 nan 0.000 0.527 381 A N 0.029 122.989 122.820 0.234 0.000 1.902 381 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 381 A C 2.283 179.850 177.584 -0.029 0.000 1.181 381 A CA 1.768 53.887 52.037 0.136 0.000 0.623 381 A CB -0.540 18.481 19.000 0.035 0.000 0.818 381 A HN 0.263 nan 8.150 nan 0.000 0.443 382 R N 0.297 120.792 120.500 -0.008 0.000 2.105 382 R HA -0.109 4.231 4.340 -0.000 0.000 0.239 382 R C 2.083 178.298 176.300 -0.141 0.000 1.135 382 R CA 2.082 58.149 56.100 -0.056 0.000 0.967 382 R CB -0.510 29.781 30.300 -0.015 0.000 0.861 382 R HN 0.600 nan 8.270 nan 0.000 0.442 383 K N -1.507 118.783 120.400 -0.183 0.000 2.097 383 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 383 K C 0.937 177.231 176.600 -0.511 0.000 1.049 383 K CA 1.600 57.652 56.287 -0.391 0.000 0.933 383 K CB -0.014 32.151 32.500 -0.558 0.000 0.717 383 K HN 0.246 nan 8.250 nan 0.000 0.442 384 Y N -0.749 119.463 120.300 -0.147 0.000 2.444 384 Y HA 0.372 4.922 4.550 -0.000 0.000 0.252 384 Y C 0.551 176.079 175.900 -0.619 0.000 1.091 384 Y CA -0.284 57.679 58.100 -0.228 0.000 1.276 384 Y CB 0.285 38.720 38.460 -0.041 0.000 1.170 384 Y HN -0.032 nan 8.280 nan 0.000 0.517 385 A N 1.957 124.264 122.820 -0.854 0.000 2.445 385 A HA 0.360 4.680 4.320 -0.000 0.000 0.242 385 A C -2.215 175.105 177.584 -0.441 0.000 1.075 385 A CA -1.132 50.175 52.037 -1.217 0.000 0.777 385 A CB -0.451 18.031 19.000 -0.862 0.000 1.013 385 A HN 0.001 nan 8.150 nan 0.000 0.493 386 P HA 0.245 nan 4.420 nan 0.000 0.269 386 P C 0.855 178.133 177.300 -0.036 0.000 1.215 386 P CA 0.469 63.533 63.100 -0.059 0.000 0.780 386 P CB 0.677 32.404 31.700 0.045 0.000 0.898 387 A N 3.174 125.987 122.820 -0.011 0.000 1.948 387 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 387 A C 1.610 179.221 177.584 0.044 0.000 1.177 387 A CA 2.285 54.326 52.037 0.007 0.000 0.636 387 A CB -1.683 17.323 19.000 0.010 0.000 0.815 387 A HN 0.811 nan 8.150 nan 0.000 0.449 388 N N -1.824 116.917 118.700 0.068 0.000 2.521 388 N HA 0.046 4.785 4.740 -0.000 0.000 0.188 388 N C 0.318 175.916 175.510 0.146 0.000 1.146 388 N CA 0.586 53.699 53.050 0.106 0.000 0.893 388 N CB -0.434 38.120 38.487 0.112 0.000 0.975 388 N HN 0.328 nan 8.380 nan 0.000 0.451 389 C N 2.195 121.574 119.300 0.131 0.000 2.225 389 C HA 0.328 4.788 4.460 -0.000 0.000 0.328 389 C C -0.333 174.765 174.990 0.180 0.000 1.187 389 C CA -1.211 57.916 59.018 0.181 0.000 1.665 389 C CB -0.761 27.107 27.740 0.213 0.000 2.253 389 C HN 0.243 nan 8.230 nan 0.000 0.497 390 K N 6.061 126.595 120.400 0.222 0.000 2.205 390 K HA 0.431 4.751 4.320 -0.000 0.000 0.279 390 K C -0.464 176.342 176.600 0.344 0.000 1.027 390 K CA -0.089 56.351 56.287 0.254 0.000 0.932 390 K CB 1.152 33.852 32.500 0.333 0.000 1.032 390 K HN 0.718 nan 8.250 nan 0.000 0.466 391 L N 3.762 125.127 121.223 0.236 0.000 2.275 391 L HA 0.351 4.691 4.340 -0.000 0.000 0.288 391 L C -0.605 176.414 176.870 0.248 0.000 1.046 391 L CA -0.816 54.204 54.840 0.300 0.000 0.805 391 L CB 0.245 42.486 42.059 0.304 0.000 1.193 391 L HN 0.424 nan 8.230 nan 0.000 0.426 392 Y N 1.803 122.270 120.300 0.278 0.000 2.393 392 Y HA 0.319 4.868 4.550 -0.000 0.000 0.341 392 Y C -0.380 175.746 175.900 0.376 0.000 0.988 392 Y CA -0.574 57.669 58.100 0.239 0.000 1.078 392 Y CB 1.954 40.449 38.460 0.058 0.000 1.203 392 Y HN 0.363 nan 8.280 nan 0.000 0.453 393 Y N 3.697 124.210 120.300 0.356 0.000 2.326 393 Y HA 0.438 4.988 4.550 -0.000 0.000 0.337 393 Y C -0.844 175.123 175.900 0.110 0.000 1.023 393 Y CA -0.701 57.568 58.100 0.282 0.000 1.143 393 Y CB 0.650 39.168 38.460 0.096 0.000 1.183 393 Y HN 0.682 nan 8.280 nan 0.000 0.485 394 N N 4.393 122.627 118.700 -0.776 0.000 2.284 394 N HA 0.392 5.132 4.740 -0.000 0.000 0.300 394 N C -2.004 173.151 175.510 -0.592 0.000 1.047 394 N CA -0.363 52.404 53.050 -0.470 0.000 0.821 394 N CB 1.323 39.635 38.487 -0.292 0.000 1.337 394 N HN 0.782 nan 8.380 nan 0.000 0.482 395 D N 0.325 120.549 120.400 -0.293 0.000 2.639 395 D HA 0.290 4.929 4.640 -0.000 0.000 0.271 395 D C -1.381 174.898 176.300 -0.035 0.000 1.254 395 D CA -0.219 53.699 54.000 -0.137 0.000 0.810 395 D CB 1.139 41.910 40.800 -0.048 0.000 1.351 395 D HN 0.436 nan 8.370 nan 0.000 0.427 396 Y N -0.815 119.493 120.300 0.013 0.000 2.659 396 Y HA 0.526 5.076 4.550 -0.000 0.000 0.333 396 Y C 0.564 176.466 175.900 0.002 0.000 1.064 396 Y CA -0.930 57.195 58.100 0.042 0.000 1.141 396 Y CB 0.434 39.011 38.460 0.194 0.000 1.316 396 Y HN 0.253 nan 8.280 nan 0.000 0.509 397 N N 0.458 119.158 118.700 0.001 0.000 2.708 397 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 397 N C 0.842 175.989 175.510 -0.606 0.000 1.097 397 N CA 1.235 54.100 53.050 -0.309 0.000 0.710 397 N CB -0.657 37.939 38.487 0.182 0.000 1.032 397 N HN 0.917 nan 8.380 nan 0.000 0.551 398 E N -0.272 119.552 120.200 -0.626 0.000 2.409 398 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 398 E C 0.939 177.394 176.600 -0.243 0.000 1.024 398 E CA 1.052 57.285 56.400 -0.279 0.000 0.861 398 E CB -0.450 29.208 29.700 -0.071 0.000 0.788 398 E HN 0.772 nan 8.360 nan 0.000 0.521 399 Y N -2.403 117.889 120.300 -0.014 0.000 2.524 399 Y HA 0.387 4.936 4.550 -0.000 0.000 0.266 399 Y C 0.149 175.968 175.900 -0.135 0.000 1.180 399 Y CA -1.828 56.206 58.100 -0.111 0.000 1.244 399 Y CB -0.545 37.843 38.460 -0.119 0.000 1.125 399 Y HN -0.063 nan 8.280 nan 0.000 0.524 400 W N 4.148 125.171 121.300 -0.461 0.000 2.332 400 W HA 0.346 5.006 4.660 -0.000 0.000 0.306 400 W C 0.424 176.742 176.519 -0.335 0.000 1.149 400 W CA -1.285 55.798 57.345 -0.438 0.000 1.271 400 W CB 0.882 30.071 29.460 -0.451 0.000 1.243 400 W HN 0.098 nan 8.180 nan 0.000 0.459 401 D N 2.261 122.674 120.400 0.022 0.000 2.230 401 D HA -0.378 4.262 4.640 -0.000 0.000 0.189 401 D C 1.997 178.166 176.300 -0.218 0.000 1.006 401 D CA 2.998 56.946 54.000 -0.087 0.000 0.853 401 D CB -0.644 40.158 40.800 0.003 0.000 0.959 401 D HN 0.778 nan 8.370 nan 0.000 0.449 402 H N -0.014 118.880 119.070 -0.294 0.000 2.387 402 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 402 H C 1.930 177.075 175.328 -0.305 0.000 1.090 402 H CA 1.784 57.638 56.048 -0.323 0.000 1.332 402 H CB -0.144 29.369 29.762 -0.415 0.000 1.386 402 H HN 0.086 nan 8.280 nan 0.000 0.516 403 K N 0.585 120.337 120.400 -1.079 0.000 2.021 403 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 403 K C 2.541 178.976 176.600 -0.275 0.000 1.047 403 K CA 0.604 56.531 56.287 -0.600 0.000 0.943 403 K CB -0.056 32.080 32.500 -0.606 0.000 0.725 403 K HN 0.238 nan 8.250 nan 0.000 0.439 404 R N 0.851 121.212 120.500 -0.232 0.000 2.134 404 R HA -0.221 4.119 4.340 -0.000 0.000 0.248 404 R C 1.278 177.525 176.300 -0.089 0.000 1.143 404 R CA 2.414 58.453 56.100 -0.102 0.000 0.957 404 R CB -0.298 29.902 30.300 -0.167 0.000 0.867 404 R HN 0.261 nan 8.270 nan 0.000 0.441 405 D N -0.311 120.006 120.400 -0.138 0.000 2.144 405 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 405 D C 1.877 178.120 176.300 -0.095 0.000 0.978 405 D CA 1.142 55.073 54.000 -0.114 0.000 0.833 405 D CB -0.607 40.126 40.800 -0.112 0.000 0.961 405 D HN 0.327 nan 8.370 nan 0.000 0.470 406 C N 0.217 119.453 119.300 -0.106 0.000 2.466 406 C HA 0.028 4.488 4.460 -0.000 0.000 0.278 406 C C 2.729 177.648 174.990 -0.118 0.000 1.288 406 C CA 0.027 58.981 59.018 -0.106 0.000 1.722 406 C CB -1.157 26.524 27.740 -0.098 0.000 2.017 406 C HN 0.209 nan 8.230 nan 0.000 0.488 407 I N 1.711 122.234 120.570 -0.080 0.000 2.179 407 I HA -0.144 4.026 4.170 -0.000 0.000 0.242 407 I C 2.890 178.974 176.117 -0.055 0.000 1.088 407 I CA 1.708 62.952 61.300 -0.093 0.000 1.357 407 I CB -0.531 37.492 38.000 0.039 0.000 1.051 407 I HN 0.388 nan 8.210 nan 0.000 0.409 408 A N -0.169 122.725 122.820 0.124 0.000 1.972 408 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 408 A C 2.484 180.052 177.584 -0.027 0.000 1.169 408 A CA 2.253 54.377 52.037 0.146 0.000 0.635 408 A CB -0.757 18.291 19.000 0.080 0.000 0.810 408 A HN 0.468 nan 8.150 nan 0.000 0.446 409 S N -0.314 115.339 115.700 -0.077 0.000 2.357 409 S HA -0.087 4.383 4.470 -0.000 0.000 0.221 409 S C 1.961 176.470 174.600 -0.151 0.000 1.031 409 S CA 1.169 59.306 58.200 -0.105 0.000 0.982 409 S CB -0.540 62.597 63.200 -0.104 0.000 0.853 409 S HN 0.473 nan 8.310 nan 0.000 0.458 410 I N 1.339 121.782 120.570 -0.211 0.000 2.127 410 I HA -0.256 3.913 4.170 -0.000 0.000 0.241 410 I C 2.635 178.558 176.117 -0.323 0.000 1.075 410 I CA 1.466 62.584 61.300 -0.302 0.000 1.334 410 I CB -0.687 37.050 38.000 -0.439 0.000 1.040 410 I HN 0.435 nan 8.210 nan 0.000 0.405 411 C N 0.671 119.779 119.300 -0.320 0.000 2.422 411 C HA -0.097 4.363 4.460 -0.000 0.000 0.279 411 C C 3.143 178.031 174.990 -0.169 0.000 1.305 411 C CA 0.752 59.601 59.018 -0.282 0.000 1.757 411 C CB -1.343 26.254 27.740 -0.238 0.000 1.962 411 C HN 0.608 nan 8.230 nan 0.000 0.499 412 A N 1.127 123.879 122.820 -0.114 0.000 1.930 412 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 412 A C 2.173 179.736 177.584 -0.035 0.000 1.175 412 A CA 1.780 53.793 52.037 -0.041 0.000 0.627 412 A CB -0.745 18.231 19.000 -0.041 0.000 0.815 412 A HN 0.699 nan 8.150 nan 0.000 0.443 413 N N 0.409 119.047 118.700 -0.103 0.000 2.188 413 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 413 N C 1.692 177.114 175.510 -0.146 0.000 1.018 413 N CA 1.503 54.483 53.050 -0.115 0.000 0.858 413 N CB -0.240 38.168 38.487 -0.133 0.000 0.989 413 N HN 0.492 nan 8.380 nan 0.000 0.426 414 L N -0.284 120.813 121.223 -0.209 0.000 2.109 414 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 414 L C 2.485 179.245 176.870 -0.184 0.000 1.086 414 L CA 0.863 55.538 54.840 -0.274 0.000 0.760 414 L CB -0.688 41.060 42.059 -0.518 0.000 0.910 414 L HN 0.159 nan 8.230 nan 0.000 0.437 415 Y N 1.398 121.554 120.300 -0.240 0.000 2.145 415 Y HA -0.277 4.273 4.550 -0.000 0.000 0.286 415 Y C 2.187 178.007 175.900 -0.132 0.000 1.145 415 Y CA 1.947 59.940 58.100 -0.179 0.000 1.148 415 Y CB -0.527 37.843 38.460 -0.150 0.000 0.981 415 Y HN 0.215 nan 8.280 nan 0.000 0.507 416 N N -0.190 118.433 118.700 -0.129 0.000 2.289 416 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 416 N C 1.165 176.544 175.510 -0.217 0.000 1.016 416 N CA 1.146 54.076 53.050 -0.200 0.000 0.872 416 N CB -0.119 38.329 38.487 -0.066 0.000 0.973 416 N HN 0.339 nan 8.380 nan 0.000 0.433 417 K N -0.131 120.156 120.400 -0.188 0.000 2.505 417 K HA 0.131 4.451 4.320 -0.000 0.000 0.192 417 K C 0.824 177.318 176.600 -0.177 0.000 1.025 417 K CA 0.330 56.519 56.287 -0.164 0.000 1.086 417 K CB 0.468 32.886 32.500 -0.137 0.000 0.840 417 K HN 0.226 nan 8.250 nan 0.000 0.514 418 G N 1.252 109.906 108.800 -0.243 0.000 2.159 418 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.256 418 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.256 418 G C 0.646 175.468 174.900 -0.130 0.000 0.977 418 G CA 0.164 45.139 45.100 -0.208 0.000 0.652 418 G HN 0.283 nan 8.290 nan 0.000 0.531 419 L N -1.028 120.118 121.223 -0.128 0.000 2.416 419 L HA 0.514 4.854 4.340 -0.000 0.000 0.216 419 L C 1.253 178.133 176.870 0.017 0.000 1.098 419 L CA 0.417 55.229 54.840 -0.046 0.000 0.840 419 L CB 0.235 42.250 42.059 -0.072 0.000 0.981 419 L HN 0.368 nan 8.230 nan 0.000 0.462 420 L N -1.510 119.651 121.223 -0.102 0.000 2.381 420 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 420 L C -0.194 176.688 176.870 0.019 0.000 0.997 420 L CA -0.357 54.428 54.840 -0.092 0.000 0.818 420 L CB 2.020 43.836 42.059 -0.404 0.000 1.310 420 L HN -0.142 nan 8.230 nan 0.000 0.416 421 D N 2.686 123.059 120.400 -0.045 0.000 2.423 421 D HA 0.289 4.929 4.640 -0.000 0.000 0.212 421 D C 0.335 176.447 176.300 -0.313 0.000 1.060 421 D CA 0.628 54.583 54.000 -0.074 0.000 0.872 421 D CB 1.399 42.165 40.800 -0.057 0.000 1.012 421 D HN 0.668 nan 8.370 nan 0.000 0.503 422 G N 0.030 108.417 108.800 -0.688 0.000 2.673 422 G HA2 0.430 4.390 3.960 -0.000 0.000 0.292 422 G HA3 0.430 4.390 3.960 -0.000 0.000 0.292 422 G C -1.512 173.011 174.900 -0.628 0.000 1.450 422 G CA -0.450 44.099 45.100 -0.918 0.000 0.837 422 G HN -0.089 nan 8.290 nan 0.000 0.505 423 V N 0.761 120.544 119.914 -0.217 0.000 2.427 423 V HA 0.752 4.871 4.120 -0.000 0.000 0.286 423 V C 1.100 177.252 176.094 0.098 0.000 1.034 423 V CA 0.305 62.533 62.300 -0.121 0.000 0.893 423 V CB 1.219 32.764 31.823 -0.463 0.000 0.982 423 V HN 1.075 nan 8.190 nan 0.000 0.452 427 S N 1.382 117.073 115.700 -0.015 0.000 3.812 427 S HA -0.120 4.350 4.470 -0.000 0.000 0.341 427 S C -0.610 174.003 174.600 0.020 0.000 1.057 427 S CA 0.419 58.723 58.200 0.172 0.000 1.015 427 S CB -1.321 61.951 63.200 0.120 0.000 0.893 427 S HN 0.375 nan 8.310 nan 0.000 0.476 428 H N 1.192 120.433 119.070 0.284 0.000 3.224 428 H HA 0.399 4.955 4.556 -0.000 0.000 0.265 428 H C 0.905 176.397 175.328 0.274 0.000 1.461 428 H CA 0.591 56.804 56.048 0.275 0.000 1.509 428 H CB -0.554 29.408 29.762 0.333 0.000 1.686 428 H HN 0.707 nan 8.280 nan 0.000 0.514 429 I N -0.283 120.419 120.570 0.219 0.000 3.237 429 I HA 0.471 4.641 4.170 -0.000 0.000 0.308 429 I C 0.270 176.397 176.117 0.016 0.000 1.093 429 I CA -1.381 59.984 61.300 0.107 0.000 1.001 429 I CB 1.887 39.822 38.000 -0.108 0.000 1.245 429 I HN 0.164 nan 8.210 nan 0.000 0.485 430 N N 0.936 119.599 118.700 -0.061 0.000 2.725 430 N HA 0.448 5.188 4.740 -0.000 0.000 0.312 430 N C 0.070 175.366 175.510 -0.357 0.000 1.295 430 N CA -0.406 52.563 53.050 -0.135 0.000 0.914 430 N CB 0.980 39.447 38.487 -0.033 0.000 1.177 430 N HN 0.781 nan 8.380 nan 0.000 0.601 431 A N -1.399 121.065 122.820 -0.593 0.000 2.278 431 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 431 A C 0.415 177.436 177.584 -0.938 0.000 1.213 431 A CA 0.055 51.681 52.037 -0.685 0.000 0.840 431 A CB -0.798 17.909 19.000 -0.488 0.000 0.866 431 A HN 0.698 nan 8.150 nan 0.000 0.489 435 G N 0.825 109.642 108.800 0.029 0.000 2.466 435 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.218 435 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.218 435 G C 0.529 175.493 174.900 0.107 0.000 1.237 435 G CA 0.225 45.373 45.100 0.080 0.000 0.954 435 G HN 0.685 nan 8.290 nan 0.000 0.580 436 F N 1.967 121.900 119.950 -0.027 0.000 2.186 436 F HA 0.196 4.723 4.527 -0.000 0.000 0.299 436 F C 2.450 178.233 175.800 -0.028 0.000 1.090 436 F CA 2.271 60.263 58.000 -0.013 0.000 1.307 436 F CB 0.064 39.029 39.000 -0.057 0.000 1.019 436 F HN 0.840 nan 8.300 nan 0.000 0.489 437 S N -0.210 115.511 115.700 0.035 0.000 2.581 437 S HA 0.463 4.933 4.470 -0.000 0.000 0.245 437 S C 0.545 174.943 174.600 -0.336 0.000 1.115 437 S CA -0.236 57.684 58.200 -0.468 0.000 1.093 437 S CB -0.380 62.555 63.200 -0.442 0.000 0.853 437 S HN 0.343 nan 8.310 nan 0.000 0.479 438 G N 0.963 109.657 108.800 -0.177 0.000 2.616 438 G HA2 0.462 4.422 3.960 -0.000 0.000 0.268 438 G HA3 0.462 4.422 3.960 -0.000 0.000 0.268 438 G C 0.700 175.527 174.900 -0.121 0.000 1.213 438 G CA -0.694 44.320 45.100 -0.144 0.000 0.926 438 G HN 0.294 nan 8.290 nan 0.000 0.523 439 I N -0.369 120.139 120.570 -0.102 0.000 2.335 439 I HA -0.156 4.013 4.170 -0.000 0.000 0.251 439 I C 2.709 178.833 176.117 0.012 0.000 1.129 439 I CA 1.498 62.764 61.300 -0.057 0.000 1.402 439 I CB -0.391 37.571 38.000 -0.063 0.000 1.069 439 I HN 0.670 nan 8.210 nan 0.000 0.424 440 Q N -0.097 119.699 119.800 -0.005 0.000 1.990 440 Q HA -0.190 4.150 4.340 -0.000 0.000 0.200 440 Q C 2.086 178.091 176.000 0.008 0.000 0.980 440 Q CA 1.863 57.669 55.803 0.005 0.000 0.832 440 Q CB -0.273 28.465 28.738 0.000 0.000 0.897 440 Q HN 0.473 nan 8.270 nan 0.000 0.427 441 N N -0.249 118.447 118.700 -0.007 0.000 2.104 441 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 441 N C 1.518 177.040 175.510 0.019 0.000 1.024 441 N CA 1.161 54.207 53.050 -0.006 0.000 0.853 441 N CB -0.364 38.103 38.487 -0.033 0.000 1.008 441 N HN 0.292 nan 8.380 nan 0.000 0.424 442 Y N 1.816 122.029 120.300 -0.144 0.000 2.114 442 Y HA -0.148 4.402 4.550 -0.000 0.000 0.284 442 Y C 2.180 178.053 175.900 -0.044 0.000 1.143 442 Y CA 1.683 59.713 58.100 -0.116 0.000 1.135 442 Y CB -0.003 38.327 38.460 -0.217 0.000 0.980 442 Y HN -0.046 nan 8.280 nan 0.000 0.499 443 K N -0.256 120.223 120.400 0.130 0.000 2.097 443 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 443 K C 2.273 178.841 176.600 -0.053 0.000 1.049 443 K CA 1.085 57.400 56.287 0.046 0.000 0.933 443 K CB -0.356 32.179 32.500 0.059 0.000 0.717 443 K HN 0.401 nan 8.250 nan 0.000 0.442 444 A N 1.344 124.127 122.820 -0.061 0.000 1.933 444 A HA -0.105 4.214 4.320 -0.000 0.000 0.218 444 A C 2.325 179.796 177.584 -0.189 0.000 1.175 444 A CA 1.834 53.811 52.037 -0.100 0.000 0.628 444 A CB -0.569 18.383 19.000 -0.080 0.000 0.814 444 A HN 0.335 nan 8.150 nan 0.000 0.444 445 A N -0.618 122.065 122.820 -0.228 0.000 1.898 445 A HA 0.102 4.422 4.320 -0.000 0.000 0.214 445 A C 2.077 179.409 177.584 -0.420 0.000 1.183 445 A CA 1.456 53.249 52.037 -0.406 0.000 0.622 445 A CB -0.619 18.222 19.000 -0.266 0.000 0.824 445 A HN 0.642 nan 8.150 nan 0.000 0.444 446 L N -0.218 120.850 121.223 -0.258 0.000 2.013 446 L HA -0.241 4.099 4.340 -0.000 0.000 0.212 446 L C 2.451 179.270 176.870 -0.084 0.000 1.073 446 L CA 2.830 57.595 54.840 -0.125 0.000 0.753 446 L CB -0.812 41.170 42.059 -0.128 0.000 0.890 446 L HN 0.472 nan 8.230 nan 0.000 0.432 447 Q N -0.058 119.676 119.800 -0.110 0.000 2.084 447 Q HA -0.251 4.088 4.340 -0.000 0.000 0.202 447 Q C 2.357 178.280 176.000 -0.128 0.000 0.978 447 Q CA 2.155 57.907 55.803 -0.085 0.000 0.844 447 Q CB -0.326 28.372 28.738 -0.067 0.000 0.898 447 Q HN 0.561 nan 8.270 nan 0.000 0.426 448 K N -1.342 118.914 120.400 -0.241 0.000 2.288 448 K HA -0.140 4.179 4.320 -0.000 0.000 0.201 448 K C 1.339 177.795 176.600 -0.239 0.000 1.048 448 K CA 0.888 57.010 56.287 -0.274 0.000 0.956 448 K CB -0.008 32.262 32.500 -0.383 0.000 0.746 448 K HN 0.238 nan 8.250 nan 0.000 0.461 449 Y N 0.873 121.110 120.300 -0.105 0.000 2.206 449 Y HA -0.093 4.457 4.550 -0.000 0.000 0.292 449 Y C 2.128 177.951 175.900 -0.128 0.000 1.123 449 Y CA 0.396 58.425 58.100 -0.117 0.000 1.142 449 Y CB -0.224 38.172 38.460 -0.107 0.000 1.006 449 Y HN -0.023 nan 8.280 nan 0.000 0.518 450 I N 0.535 121.136 120.570 0.051 0.000 2.335 450 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 450 I C 1.215 177.302 176.117 -0.050 0.000 1.129 450 I CA 1.353 62.649 61.300 -0.006 0.000 1.402 450 I CB -0.907 37.100 38.000 0.012 0.000 1.069 450 I HN 0.309 nan 8.210 nan 0.000 0.424 451 N N 0.829 119.495 118.700 -0.055 0.000 2.550 451 N HA -0.010 4.730 4.740 -0.000 0.000 0.186 451 N C 1.771 177.232 175.510 -0.082 0.000 1.110 451 N CA 0.550 53.563 53.050 -0.062 0.000 0.912 451 N CB -0.108 38.342 38.487 -0.062 0.000 0.968 451 N HN 0.417 nan 8.380 nan 0.000 0.448 452 I N -0.521 119.981 120.570 -0.114 0.000 2.493 452 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 452 I C 1.718 177.658 176.117 -0.295 0.000 1.160 452 I CA 0.987 62.183 61.300 -0.173 0.000 1.445 452 I CB -0.124 37.754 38.000 -0.204 0.000 1.086 452 I HN 0.236 nan 8.210 nan 0.000 0.433 453 G N 0.315 108.924 108.800 -0.318 0.000 2.259 453 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 453 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 453 G C 0.588 175.115 174.900 -0.622 0.000 1.001 453 G CA -0.041 44.842 45.100 -0.361 0.000 0.627 453 G HN 0.493 nan 8.290 nan 0.000 0.501 454 C N 0.787 119.523 119.300 -0.940 0.000 2.553 454 C HA 0.773 5.233 4.460 -0.000 0.000 0.345 454 C C 0.705 175.543 174.990 -0.255 0.000 1.369 454 C CA -0.866 57.737 59.018 -0.691 0.000 2.447 454 C CB 0.777 28.125 27.740 -0.652 0.000 2.358 454 C HN 0.397 nan 8.230 nan 0.000 0.676 455 D N -0.575 119.747 120.400 -0.130 0.000 2.447 455 D HA 0.625 5.265 4.640 -0.000 0.000 0.265 455 D C -0.437 175.882 176.300 0.031 0.000 1.250 455 D CA -0.087 53.915 54.000 0.003 0.000 1.046 455 D CB 1.172 42.047 40.800 0.124 0.000 1.095 455 D HN 0.518 nan 8.370 nan 0.000 0.555 456 V N 0.203 120.198 119.914 0.135 0.000 2.841 456 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 456 V C -0.667 175.529 176.094 0.170 0.000 1.090 456 V CA -0.645 61.745 62.300 0.150 0.000 0.930 456 V CB 2.123 33.986 31.823 0.067 0.000 1.014 456 V HN 0.352 nan 8.190 nan 0.000 0.425 457 Q N 2.748 122.627 119.800 0.132 0.000 2.377 457 Q HA 0.637 4.977 4.340 -0.000 0.000 0.271 457 Q C -1.224 174.685 176.000 -0.152 0.000 1.077 457 Q CA -0.656 55.084 55.803 -0.105 0.000 0.820 457 Q CB 3.146 31.664 28.738 -0.367 0.000 1.347 457 Q HN 0.647 nan 8.270 nan 0.000 0.444 458 I N 2.116 122.561 120.570 -0.208 0.000 2.287 458 I HA 0.098 4.268 4.170 -0.000 0.000 0.290 458 I C 1.030 177.026 176.117 -0.202 0.000 1.069 458 I CA 0.061 61.246 61.300 -0.191 0.000 1.237 458 I CB 1.027 38.889 38.000 -0.230 0.000 1.418 458 I HN 0.829 nan 8.210 nan 0.000 0.481 459 T N 0.818 115.245 114.554 -0.212 0.000 3.040 459 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 459 T C 0.810 175.389 174.700 -0.202 0.000 1.064 459 T CA 0.364 62.323 62.100 -0.234 0.000 1.110 459 T CB 0.102 68.786 68.868 -0.307 0.000 0.921 459 T HN 0.551 nan 8.240 nan 0.000 0.480 460 E N 0.818 120.844 120.200 -0.289 0.000 3.918 460 E HA 0.300 4.650 4.350 -0.000 0.000 0.183 460 E C -1.170 175.291 176.600 -0.231 0.000 1.021 460 E CA -0.467 55.743 56.400 -0.316 0.000 1.431 460 E CB 0.688 29.733 29.700 -1.092 0.000 1.140 460 E HN 0.206 nan 8.360 nan 0.000 0.435 461 L N 2.811 124.008 121.223 -0.044 0.000 2.462 461 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 461 L C -0.648 176.337 176.870 0.192 0.000 1.166 461 L CA 0.575 55.419 54.840 0.005 0.000 0.880 461 L CB 0.080 42.157 42.059 0.029 0.000 1.142 461 L HN 0.122 nan 8.230 nan 0.000 0.473 462 D N 4.281 124.799 120.400 0.196 0.000 2.602 462 D HA 0.493 5.132 4.640 -0.000 0.000 0.236 462 D C -0.861 175.502 176.300 0.105 0.000 1.209 462 D CA -0.335 53.841 54.000 0.294 0.000 0.831 462 D CB 0.982 42.073 40.800 0.484 0.000 1.478 462 D HN 0.399 nan 8.370 nan 0.000 0.438 463 I N 0.850 121.453 120.570 0.055 0.000 2.521 463 I HA 0.223 4.393 4.170 -0.000 0.000 0.277 463 I C -0.262 175.867 176.117 0.020 0.000 1.054 463 I CA -0.703 60.535 61.300 -0.103 0.000 1.117 463 I CB 1.657 39.388 38.000 -0.448 0.000 1.217 463 I HN 0.336 nan 8.210 nan 0.000 0.469 464 S N 2.799 118.523 115.700 0.040 0.000 2.549 464 S HA 0.106 4.576 4.470 -0.000 0.000 0.279 464 S C 1.395 176.078 174.600 0.138 0.000 1.321 464 S CA -0.115 58.133 58.200 0.080 0.000 1.054 464 S CB 0.736 63.974 63.200 0.062 0.000 0.899 464 S HN 0.749 nan 8.310 nan 0.000 0.497 465 T N 1.035 115.691 114.554 0.170 0.000 3.129 465 T HA 0.229 4.579 4.350 -0.000 0.000 0.251 465 T C 0.135 174.985 174.700 0.251 0.000 1.117 465 T CA 0.138 62.406 62.100 0.279 0.000 1.034 465 T CB -0.589 68.384 68.868 0.176 0.000 0.968 465 T HN 0.862 nan 8.240 nan 0.000 0.526 466 E N 1.746 122.039 120.200 0.155 0.000 2.230 466 E HA -0.228 4.122 4.350 -0.000 0.000 0.206 466 E C -0.079 176.511 176.600 -0.016 0.000 1.309 466 E CA 0.276 56.709 56.400 0.055 0.000 0.697 466 E CB -1.908 27.822 29.700 0.050 0.000 1.146 466 E HN 0.579 nan 8.360 nan 0.000 0.363 467 N N -0.703 117.995 118.700 -0.004 0.000 2.727 467 N HA -0.266 4.474 4.740 -0.000 0.000 0.249 467 N C 0.653 176.145 175.510 -0.031 0.000 1.048 467 N CA 2.596 55.634 53.050 -0.020 0.000 0.714 467 N CB -1.249 37.216 38.487 -0.036 0.000 0.959 467 N HN 0.991 nan 8.380 nan 0.000 0.544 468 G N -0.747 108.046 108.800 -0.012 0.000 2.176 468 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.253 468 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.253 468 G C 0.787 175.636 174.900 -0.084 0.000 0.979 468 G CA 1.019 46.108 45.100 -0.019 0.000 0.641 468 G HN 0.711 nan 8.290 nan 0.000 0.530 469 K N -0.714 119.573 120.400 -0.188 0.000 2.147 469 K HA 0.105 4.425 4.320 -0.000 0.000 0.205 469 K C 0.257 176.542 176.600 -0.524 0.000 1.049 469 K CA 0.849 56.889 56.287 -0.411 0.000 0.936 469 K CB -0.111 32.019 32.500 -0.617 0.000 0.722 469 K HN 0.312 nan 8.250 nan 0.000 0.446 470 F N 0.566 120.514 119.950 -0.003 0.000 2.492 470 F HA 0.232 4.759 4.527 -0.000 0.000 0.327 470 F C 0.543 176.348 175.800 0.008 0.000 1.079 470 F CA -1.088 56.913 58.000 0.000 0.000 0.967 470 F CB 1.639 40.638 39.000 -0.002 0.000 1.169 470 F HN -0.064 nan 8.300 nan 0.000 0.472 471 S N 2.013 117.834 115.700 0.202 0.000 2.655 471 S HA 0.414 4.884 4.470 -0.000 0.000 0.265 471 S C 0.958 175.629 174.600 0.118 0.000 1.240 471 S CA -0.717 57.554 58.200 0.119 0.000 0.986 471 S CB 0.665 63.916 63.200 0.085 0.000 0.985 471 S HN 0.665 nan 8.310 nan 0.000 0.562 472 L N 0.509 121.781 121.223 0.083 0.000 2.141 472 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 472 L C 2.876 179.786 176.870 0.067 0.000 1.094 472 L CA 1.178 56.063 54.840 0.075 0.000 0.763 472 L CB -0.658 41.433 42.059 0.053 0.000 0.908 472 L HN 0.752 nan 8.230 nan 0.000 0.437 473 Q N -0.256 119.579 119.800 0.057 0.000 2.172 473 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 473 Q C 2.092 178.120 176.000 0.047 0.000 0.964 473 Q CA 1.046 56.877 55.803 0.045 0.000 0.855 473 Q CB -0.051 28.707 28.738 0.034 0.000 0.918 473 Q HN 0.639 nan 8.270 nan 0.000 0.444 474 Q N 0.712 120.550 119.800 0.064 0.000 2.172 474 Q HA -0.176 4.164 4.340 -0.000 0.000 0.200 474 Q C 2.056 178.056 176.000 -0.001 0.000 0.964 474 Q CA 1.069 56.895 55.803 0.038 0.000 0.855 474 Q CB -0.076 28.712 28.738 0.083 0.000 0.918 474 Q HN 0.389 nan 8.270 nan 0.000 0.444 475 Q N 0.846 120.673 119.800 0.044 0.000 2.119 475 Q HA -0.148 4.192 4.340 -0.000 0.000 0.201 475 Q C 2.014 178.093 176.000 0.132 0.000 0.972 475 Q CA 1.244 57.081 55.803 0.056 0.000 0.847 475 Q CB -0.148 28.672 28.738 0.137 0.000 0.903 475 Q HN 0.340 nan 8.270 nan 0.000 0.433 476 A N 1.462 124.348 122.820 0.110 0.000 1.883 476 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 476 A C 1.700 179.329 177.584 0.074 0.000 1.186 476 A CA 1.816 53.912 52.037 0.098 0.000 0.624 476 A CB -0.758 18.262 19.000 0.033 0.000 0.822 476 A HN 0.545 nan 8.150 nan 0.000 0.444 477 D N -0.489 119.930 120.400 0.031 0.000 2.149 477 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 477 D C 1.877 178.167 176.300 -0.017 0.000 0.990 477 D CA 1.803 55.805 54.000 0.005 0.000 0.839 477 D CB -0.194 40.599 40.800 -0.012 0.000 0.948 477 D HN 0.466 nan 8.370 nan 0.000 0.460 478 K N -0.305 120.058 120.400 -0.061 0.000 2.103 478 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 478 K C 2.056 178.577 176.600 -0.131 0.000 1.052 478 K CA 0.722 56.912 56.287 -0.161 0.000 0.945 478 K CB -0.420 31.912 32.500 -0.279 0.000 0.722 478 K HN 0.156 nan 8.250 nan 0.000 0.443 479 Y N 0.834 121.109 120.300 -0.042 0.000 2.145 479 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 479 Y C 2.274 178.223 175.900 0.082 0.000 1.145 479 Y CA 1.739 59.862 58.100 0.039 0.000 1.148 479 Y CB 0.027 38.486 38.460 -0.002 0.000 0.981 479 Y HN 0.012 nan 8.280 nan 0.000 0.507 480 K N 0.014 120.513 120.400 0.165 0.000 2.103 480 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 480 K C 2.203 178.876 176.600 0.121 0.000 1.048 480 K CA 1.093 57.446 56.287 0.110 0.000 0.930 480 K CB -0.268 32.260 32.500 0.046 0.000 0.716 480 K HN 0.319 nan 8.250 nan 0.000 0.444 481 A N 0.459 123.311 122.820 0.054 0.000 1.898 481 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 481 A C 2.227 179.825 177.584 0.024 0.000 1.181 481 A CA 1.412 53.459 52.037 0.016 0.000 0.620 481 A CB -0.516 18.450 19.000 -0.057 0.000 0.819 481 A HN 0.144 nan 8.150 nan 0.000 0.442 482 V N -1.267 118.634 119.914 -0.023 0.000 2.270 482 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 482 V C 2.316 178.440 176.094 0.049 0.000 1.043 482 V CA 2.067 64.310 62.300 -0.094 0.000 1.014 482 V CB -0.968 30.673 31.823 -0.303 0.000 0.645 482 V HN 0.586 nan 8.190 nan 0.000 0.447 483 F N 0.010 119.971 119.950 0.017 0.000 2.134 483 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 483 F C 2.674 178.571 175.800 0.163 0.000 1.097 483 F CA 1.968 60.023 58.000 0.090 0.000 1.264 483 F CB -0.408 38.649 39.000 0.095 0.000 1.001 483 F HN 0.147 nan 8.300 nan 0.000 0.479 484 Q N 0.885 120.873 119.800 0.313 0.000 2.135 484 Q HA -0.187 4.153 4.340 -0.000 0.000 0.204 484 Q C 2.066 178.165 176.000 0.166 0.000 0.981 484 Q CA 1.964 57.888 55.803 0.202 0.000 0.856 484 Q CB -0.511 28.307 28.738 0.134 0.000 0.902 484 Q HN 0.340 nan 8.270 nan 0.000 0.425 485 A N -0.131 122.777 122.820 0.147 0.000 1.969 485 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 485 A C 2.231 179.908 177.584 0.155 0.000 1.169 485 A CA 1.541 53.660 52.037 0.137 0.000 0.635 485 A CB -0.928 18.163 19.000 0.151 0.000 0.810 485 A HN 0.509 nan 8.150 nan 0.000 0.445 486 A N -0.576 122.343 122.820 0.165 0.000 1.897 486 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 486 A C 2.186 179.997 177.584 0.378 0.000 1.181 486 A CA 1.602 53.756 52.037 0.196 0.000 0.620 486 A CB -0.812 18.176 19.000 -0.020 0.000 0.821 486 A HN 0.334 nan 8.150 nan 0.000 0.443 487 V N 0.766 120.901 119.914 0.369 0.000 2.343 487 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 487 V C 2.104 178.321 176.094 0.206 0.000 1.051 487 V CA 2.277 64.710 62.300 0.222 0.000 1.036 487 V CB -0.786 31.040 31.823 0.004 0.000 0.654 487 V HN 0.494 nan 8.190 nan 0.000 0.451 488 D N -0.044 120.458 120.400 0.170 0.000 2.117 488 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 488 D C 2.131 178.520 176.300 0.149 0.000 0.987 488 D CA 1.044 55.129 54.000 0.141 0.000 0.829 488 D CB -0.176 40.688 40.800 0.107 0.000 0.961 488 D HN 0.249 nan 8.370 nan 0.000 0.460 489 I N 1.310 121.976 120.570 0.159 0.000 2.208 489 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 489 I C 1.645 177.861 176.117 0.165 0.000 1.097 489 I CA 1.142 62.526 61.300 0.140 0.000 1.363 489 I CB -0.812 37.268 38.000 0.133 0.000 1.051 489 I HN -0.023 nan 8.210 nan 0.000 0.413 490 N N 0.855 119.698 118.700 0.239 0.000 2.309 490 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 490 N C 1.745 177.376 175.510 0.202 0.000 1.018 490 N CA 0.821 54.023 53.050 0.253 0.000 0.876 490 N CB -0.211 38.508 38.487 0.388 0.000 0.972 490 N HN 0.371 nan 8.380 nan 0.000 0.434 491 R N -0.812 119.815 120.500 0.212 0.000 2.297 491 R HA 0.161 4.500 4.340 -0.000 0.000 0.197 491 R C 0.950 177.314 176.300 0.106 0.000 0.943 491 R CA 0.674 56.872 56.100 0.163 0.000 1.038 491 R CB 0.235 30.645 30.300 0.183 0.000 0.957 491 R HN 0.169 nan 8.270 nan 0.000 0.484 492 T N -0.950 113.663 114.554 0.099 0.000 3.480 492 T HA 0.095 4.445 4.350 -0.000 0.000 0.229 492 T C 0.266 175.000 174.700 0.058 0.000 0.944 492 T CA 0.337 62.479 62.100 0.070 0.000 1.388 492 T CB 0.452 69.359 68.868 0.065 0.000 1.180 492 T HN -0.012 nan 8.240 nan 0.000 0.414 493 S N 0.296 116.031 115.700 0.058 0.000 2.603 493 S HA 0.546 5.016 4.470 -0.000 0.000 0.274 493 S C -1.501 173.128 174.600 0.049 0.000 1.168 493 S CA -0.220 58.008 58.200 0.046 0.000 0.963 493 S CB 1.087 64.306 63.200 0.031 0.000 1.078 493 S HN 0.610 nan 8.310 nan 0.000 0.477 494 S N 3.233 118.963 115.700 0.050 0.000 2.772 494 S HA -0.013 4.457 4.470 -0.000 0.000 0.857 494 S C 0.216 174.836 174.600 0.033 0.000 0.842 494 S CA 0.712 58.937 58.200 0.042 0.000 1.520 494 S CB -0.848 62.375 63.200 0.037 0.000 1.093 494 S HN 1.285 nan 8.310 nan 0.000 0.224 495 K N 1.127 121.550 120.400 0.037 0.000 1.902 495 K HA -0.259 4.061 4.320 -0.000 0.000 0.144 495 K C 0.768 177.387 176.600 0.032 0.000 0.912 495 K CA 1.815 58.125 56.287 0.038 0.000 0.315 495 K CB -1.696 30.823 32.500 0.032 0.000 0.723 495 K HN 1.830 nan 8.250 nan 0.000 0.785 496 G N 2.322 111.122 108.800 0.001 0.000 2.287 496 G HA2 0.118 4.078 3.960 -0.000 0.000 0.235 496 G HA3 0.118 4.078 3.960 -0.000 0.000 0.235 496 G C -0.378 174.553 174.900 0.051 0.000 1.258 496 G CA 0.334 45.433 45.100 -0.001 0.000 0.884 496 G HN 0.275 nan 8.290 nan 0.000 0.518 497 K N 0.973 121.421 120.400 0.080 0.000 2.482 497 K HA 0.401 4.720 4.320 -0.000 0.000 0.257 497 K C -0.829 175.863 176.600 0.154 0.000 0.969 497 K CA -0.968 55.398 56.287 0.132 0.000 0.842 497 K CB 2.427 35.021 32.500 0.155 0.000 1.359 497 K HN 0.212 nan 8.250 nan 0.000 0.441 498 V N 2.335 122.367 119.914 0.197 0.000 2.389 498 V HA 0.079 4.199 4.120 -0.000 0.000 0.264 498 V C 1.381 177.642 176.094 0.277 0.000 1.049 498 V CA 0.038 62.440 62.300 0.170 0.000 0.932 498 V CB 0.462 32.340 31.823 0.091 0.000 1.011 498 V HN 0.981 nan 8.190 nan 0.000 0.475 499 T N 1.143 115.831 114.554 0.222 0.000 3.060 499 T HA 0.566 4.916 4.350 -0.000 0.000 0.249 499 T C 0.411 175.284 174.700 0.287 0.000 1.079 499 T CA 0.477 62.752 62.100 0.293 0.000 1.013 499 T CB 0.437 69.474 68.868 0.283 0.000 0.975 499 T HN 0.896 nan 8.240 nan 0.000 0.518 500 A N 0.311 123.184 122.820 0.089 0.000 2.589 500 A HA 0.685 5.005 4.320 -0.000 0.000 0.296 500 A C -1.548 175.826 177.584 -0.350 0.000 1.062 500 A CA -0.725 51.313 52.037 0.002 0.000 0.686 500 A CB 1.784 20.863 19.000 0.132 0.000 1.282 500 A HN 0.255 nan 8.150 nan 0.000 0.404 501 V N 0.620 120.270 119.914 -0.440 0.000 2.483 501 V HA 0.530 4.650 4.120 -0.000 0.000 0.297 501 V C -0.635 175.349 176.094 -0.183 0.000 1.027 501 V CA -0.478 61.493 62.300 -0.548 0.000 0.855 501 V CB 1.130 32.243 31.823 -1.184 0.000 0.995 501 V HN 1.077 nan 8.190 nan 0.000 0.424 502 C N 4.271 123.506 119.300 -0.108 0.000 2.626 502 C HA 0.753 5.213 4.460 -0.000 0.000 0.310 502 C C 0.073 175.112 174.990 0.082 0.000 1.191 502 C CA -0.990 58.042 59.018 0.023 0.000 1.517 502 C CB 1.589 29.338 27.740 0.015 0.000 2.102 502 C HN 0.786 nan 8.230 nan 0.000 0.479 503 V N 0.175 120.167 119.914 0.129 0.000 2.481 503 V HA 0.452 4.572 4.120 -0.000 0.000 0.286 503 V C 0.132 176.350 176.094 0.206 0.000 1.042 503 V CA -0.528 61.902 62.300 0.217 0.000 0.928 503 V CB 1.287 33.291 31.823 0.301 0.000 0.986 503 V HN 1.043 nan 8.190 nan 0.000 0.462 504 W N 5.268 126.604 121.300 0.060 0.000 1.303 504 W HA 0.544 5.203 4.660 -0.000 0.000 0.478 504 W C 0.505 177.073 176.519 0.081 0.000 0.604 504 W CA 0.683 58.053 57.345 0.041 0.000 2.319 504 W CB -0.050 29.492 29.460 0.137 0.000 1.443 504 W HN 1.186 nan 8.180 nan 0.000 0.249 505 G N 2.209 110.942 108.800 -0.112 0.000 2.321 505 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.339 505 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.339 505 G C -2.671 172.193 174.900 -0.060 0.000 1.518 505 G CA -0.764 44.256 45.100 -0.134 0.000 0.994 505 G HN -0.135 nan 8.290 nan 0.000 0.668 506 P HA 0.119 nan 4.420 nan 0.000 0.228 506 P C 0.402 177.810 177.300 0.181 0.000 1.166 506 P CA 1.113 64.227 63.100 0.024 0.000 0.812 506 P CB 0.209 31.887 31.700 -0.037 0.000 0.857 507 N N -2.032 116.749 118.700 0.136 0.000 3.020 507 N HA 0.078 4.818 4.740 -0.000 0.000 0.248 507 N C -0.179 175.413 175.510 0.136 0.000 1.480 507 N CA -0.542 52.621 53.050 0.188 0.000 0.874 507 N CB -0.380 38.200 38.487 0.155 0.000 1.433 507 N HN -0.443 nan 8.380 nan 0.000 0.530 508 D N -0.290 120.190 120.400 0.133 0.000 2.310 508 D HA 0.062 4.702 4.640 -0.000 0.000 0.212 508 D C 1.344 177.691 176.300 0.078 0.000 0.965 508 D CA 1.263 55.328 54.000 0.108 0.000 0.879 508 D CB -0.259 40.599 40.800 0.097 0.000 0.921 508 D HN 0.668 nan 8.370 nan 0.000 0.510 509 A N 0.093 122.950 122.820 0.062 0.000 2.169 509 A HA -0.004 4.315 4.320 -0.000 0.000 0.212 509 A C 0.833 178.437 177.584 0.033 0.000 1.153 509 A CA 0.338 52.398 52.037 0.038 0.000 0.756 509 A CB 0.136 19.150 19.000 0.023 0.000 0.813 509 A HN 0.055 nan 8.150 nan 0.000 0.471 510 N N 0.421 119.147 118.700 0.043 0.000 2.791 510 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 510 N C -1.069 174.481 175.510 0.066 0.000 1.580 510 N CA 0.138 53.205 53.050 0.028 0.000 0.809 510 N CB 1.238 39.714 38.487 -0.018 0.000 1.178 510 N HN 0.211 nan 8.380 nan 0.000 0.499 511 T N -0.422 114.204 114.554 0.119 0.000 2.912 511 T HA 0.253 4.602 4.350 -0.000 0.000 0.299 511 T C 0.727 175.598 174.700 0.286 0.000 1.052 511 T CA -0.713 61.524 62.100 0.229 0.000 0.996 511 T CB 0.756 69.751 68.868 0.211 0.000 1.070 511 T HN 0.386 nan 8.240 nan 0.000 0.465 512 W N 5.310 126.677 121.300 0.111 0.000 2.611 512 W HA 0.122 4.782 4.660 -0.000 0.000 0.251 512 W C 0.431 176.994 176.519 0.075 0.000 1.265 512 W CA 0.136 57.544 57.345 0.105 0.000 1.295 512 W CB -1.112 28.452 29.460 0.174 0.000 1.129 512 W HN 0.581 nan 8.180 nan 0.000 0.630 513 L N 1.448 122.439 121.223 -0.387 0.000 2.509 513 L HA 0.337 4.677 4.340 -0.000 0.000 0.222 513 L C 1.162 177.908 176.870 -0.205 0.000 1.123 513 L CA 0.812 55.346 54.840 -0.509 0.000 0.856 513 L CB -0.996 40.828 42.059 -0.391 0.000 0.985 513 L HN 0.082 nan 8.230 nan 0.000 0.456 514 G N 0.102 108.856 108.800 -0.076 0.000 2.721 514 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.686 514 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.686 514 G C 0.557 175.454 174.900 -0.005 0.000 1.236 514 G CA -0.105 44.979 45.100 -0.028 0.000 0.786 514 G HN 0.225 nan 8.290 nan 0.000 0.616 515 S N 0.321 116.030 115.700 0.015 0.000 2.522 515 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 515 S C 2.058 176.672 174.600 0.024 0.000 0.986 515 S CA 1.448 59.667 58.200 0.031 0.000 0.929 515 S CB 0.039 63.259 63.200 0.034 0.000 0.769 515 S HN 1.365 nan 8.310 nan 0.000 0.529 516 Q N 1.920 121.725 119.800 0.008 0.000 2.439 516 Q HA -0.042 4.298 4.340 -0.000 0.000 0.211 516 Q C 0.452 176.460 176.000 0.014 0.000 0.978 516 Q CA 1.148 56.955 55.803 0.006 0.000 0.897 516 Q CB -0.828 27.905 28.738 -0.007 0.000 0.956 516 Q HN 0.568 nan 8.270 nan 0.000 0.483 517 N N 1.149 119.858 118.700 0.015 0.000 2.270 517 N HA 0.204 4.944 4.740 -0.000 0.000 0.198 517 N C -0.113 175.439 175.510 0.070 0.000 1.117 517 N CA 0.669 53.739 53.050 0.033 0.000 0.845 517 N CB 0.438 38.928 38.487 0.004 0.000 0.980 517 N HN 0.355 nan 8.380 nan 0.000 0.486 518 A N 2.199 125.062 122.820 0.071 0.000 1.837 518 A HA -0.150 4.169 4.320 -0.000 0.000 0.245 518 A C -1.518 176.147 177.584 0.136 0.000 1.223 518 A CA 0.115 52.208 52.037 0.094 0.000 0.759 518 A CB -0.557 18.493 19.000 0.082 0.000 1.147 518 A HN 0.213 nan 8.150 nan 0.000 0.305 519 P HA 0.310 nan 4.420 nan 0.000 0.267 519 P C 0.305 177.806 177.300 0.335 0.000 1.289 519 P CA 0.240 63.472 63.100 0.219 0.000 0.866 519 P CB 0.333 32.152 31.700 0.199 0.000 1.309 520 L N -1.358 120.028 121.223 0.270 0.000 2.343 520 L HA 0.427 4.767 4.340 -0.000 0.000 0.264 520 L C 1.694 178.589 176.870 0.042 0.000 1.050 520 L CA -1.021 53.972 54.840 0.256 0.000 0.956 520 L CB 0.462 42.668 42.059 0.246 0.000 1.576 520 L HN -0.342 nan 8.230 nan 0.000 0.521 521 L N -0.757 120.438 121.223 -0.047 0.000 2.529 521 L HA 0.237 4.577 4.340 -0.000 0.000 0.223 521 L C -0.585 175.943 176.870 -0.570 0.000 1.113 521 L CA 0.392 55.003 54.840 -0.382 0.000 0.861 521 L CB 0.155 41.985 42.059 -0.383 0.000 1.012 521 L HN 0.211 nan 8.230 nan 0.000 0.461 522 F N -0.058 119.917 119.950 0.042 0.000 2.563 522 F HA 0.321 4.847 4.527 -0.000 0.000 0.316 522 F C 0.456 176.268 175.800 0.020 0.000 1.076 522 F CA -1.441 56.565 58.000 0.010 0.000 0.921 522 F CB 1.048 40.054 39.000 0.010 0.000 1.209 522 F HN -0.093 nan 8.300 nan 0.000 0.462 523 N N 1.134 119.943 118.700 0.180 0.000 2.443 523 N HA 0.361 5.101 4.740 -0.000 0.000 0.294 523 N C 0.686 176.260 175.510 0.106 0.000 1.289 523 N CA -0.067 53.050 53.050 0.112 0.000 0.966 523 N CB -0.066 38.462 38.487 0.068 0.000 1.122 523 N HN 0.602 nan 8.380 nan 0.000 0.569 524 A N -1.099 121.761 122.820 0.067 0.000 2.168 524 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 524 A C 0.787 178.390 177.584 0.032 0.000 1.152 524 A CA 0.873 52.937 52.037 0.046 0.000 0.716 524 A CB -1.088 17.932 19.000 0.033 0.000 0.794 524 A HN 0.796 nan 8.150 nan 0.000 0.465 525 N N 0.089 118.811 118.700 0.037 0.000 2.214 525 N HA 0.081 4.821 4.740 -0.000 0.000 0.214 525 N C -0.273 175.251 175.510 0.024 0.000 1.132 525 N CA -0.094 52.968 53.050 0.020 0.000 0.856 525 N CB 0.329 38.826 38.487 0.016 0.000 1.020 525 N HN 0.252 nan 8.380 nan 0.000 0.509 526 N N 0.749 119.483 118.700 0.057 0.000 2.741 526 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 526 N C -0.899 174.692 175.510 0.135 0.000 1.115 526 N CA 0.879 53.962 53.050 0.055 0.000 0.724 526 N CB -0.800 37.632 38.487 -0.092 0.000 1.090 526 N HN 0.433 nan 8.380 nan 0.000 0.558 527 Q N 0.392 120.280 119.800 0.146 0.000 2.259 527 Q HA 0.367 4.707 4.340 -0.000 0.000 0.246 527 Q C -2.090 174.004 176.000 0.157 0.000 0.920 527 Q CA -1.327 54.550 55.803 0.123 0.000 0.895 527 Q CB 0.944 29.708 28.738 0.043 0.000 1.220 527 Q HN 0.157 nan 8.270 nan 0.000 0.439 528 P HA 0.104 nan 4.420 nan 0.000 0.271 528 P C -0.556 176.625 177.300 -0.198 0.000 1.220 528 P CA 0.041 62.933 63.100 -0.347 0.000 0.768 528 P CB 0.955 32.338 31.700 -0.528 0.000 0.848 529 K N 4.202 124.460 120.400 -0.237 0.000 2.102 529 K HA 0.201 4.521 4.320 -0.000 0.000 0.244 529 K C -1.436 175.117 176.600 -0.079 0.000 1.021 529 K CA -1.665 54.553 56.287 -0.115 0.000 0.913 529 K CB -0.343 32.090 32.500 -0.111 0.000 1.062 529 K HN 0.192 nan 8.250 nan 0.000 0.485 530 P HA -0.267 nan 4.420 nan 0.000 0.217 530 P C 0.682 177.949 177.300 -0.055 0.000 1.148 530 P CA 1.549 64.634 63.100 -0.025 0.000 0.834 530 P CB 0.071 31.771 31.700 -0.001 0.000 0.783 531 A N -1.930 120.835 122.820 -0.093 0.000 1.969 531 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 531 A C 2.245 179.647 177.584 -0.304 0.000 1.169 531 A CA 1.283 53.220 52.037 -0.166 0.000 0.635 531 A CB -1.703 17.140 19.000 -0.260 0.000 0.810 531 A HN 0.205 nan 8.150 nan 0.000 0.445 532 Y N 1.143 121.193 120.300 -0.418 0.000 2.133 532 Y HA -0.217 4.333 4.550 -0.000 0.000 0.287 532 Y C 2.383 178.110 175.900 -0.289 0.000 1.134 532 Y CA 1.983 59.806 58.100 -0.460 0.000 1.133 532 Y CB -0.345 37.726 38.460 -0.648 0.000 0.987 532 Y HN 0.463 nan 8.280 nan 0.000 0.502 533 N N 0.591 119.282 118.700 -0.014 0.000 2.091 533 N HA -0.277 4.463 4.740 -0.000 0.000 0.193 533 N C 1.857 177.283 175.510 -0.141 0.000 1.021 533 N CA 1.686 54.722 53.050 -0.023 0.000 0.862 533 N CB -0.290 38.212 38.487 0.026 0.000 1.018 533 N HN 0.536 nan 8.380 nan 0.000 0.429 534 A N 0.705 123.433 122.820 -0.152 0.000 1.873 534 A HA -0.015 4.305 4.320 -0.000 0.000 0.215 534 A C 2.503 179.978 177.584 -0.181 0.000 1.186 534 A CA 1.171 53.135 52.037 -0.121 0.000 0.616 534 A CB -0.724 18.233 19.000 -0.072 0.000 0.823 534 A HN 0.209 nan 8.150 nan 0.000 0.442 535 V N -0.260 119.455 119.914 -0.332 0.000 2.548 535 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 535 V C 2.739 178.617 176.094 -0.359 0.000 1.055 535 V CA 1.586 63.614 62.300 -0.452 0.000 1.065 535 V CB -0.701 30.623 31.823 -0.832 0.000 0.681 535 V HN 0.580 nan 8.190 nan 0.000 0.462 536 A N -0.045 122.493 122.820 -0.470 0.000 2.235 536 A HA -0.008 4.312 4.320 -0.000 0.000 0.208 536 A C 2.156 179.642 177.584 -0.163 0.000 1.172 536 A CA 1.180 52.986 52.037 -0.384 0.000 0.786 536 A CB -0.298 18.402 19.000 -0.499 0.000 0.804 536 A HN 0.644 nan 8.150 nan 0.000 0.479 537 S N -1.331 114.299 115.700 -0.116 0.000 2.539 537 S HA 0.232 4.702 4.470 -0.000 0.000 0.221 537 S C 1.374 175.966 174.600 -0.012 0.000 0.987 537 S CA 0.100 58.282 58.200 -0.030 0.000 0.929 537 S CB -0.491 62.695 63.200 -0.023 0.000 0.832 537 S HN 0.413 nan 8.310 nan 0.000 0.492 538 I N 1.323 121.874 120.570 -0.032 0.000 2.333 538 I HA 0.122 4.291 4.170 -0.000 0.000 0.246 538 I C 0.284 176.371 176.117 -0.051 0.000 1.106 538 I CA 0.587 61.877 61.300 -0.017 0.000 1.411 538 I CB -0.015 38.010 38.000 0.042 0.000 1.082 538 I HN 0.291 nan 8.210 nan 0.000 0.420 539 I N 3.716 124.219 120.570 -0.111 0.000 2.312 539 I HA 0.224 4.394 4.170 -0.000 0.000 0.291 539 I C -2.132 174.111 176.117 0.211 0.000 1.031 539 I CA -2.291 58.986 61.300 -0.039 0.000 1.293 539 I CB -0.082 37.779 38.000 -0.232 0.000 1.403 539 I HN -0.130 nan 8.210 nan 0.000 0.484 540 P HA 0.033 nan 4.420 nan 0.000 0.269 540 P C 0.544 177.632 177.300 -0.352 0.000 1.209 540 P CA -0.189 62.879 63.100 -0.054 0.000 0.776 540 P CB 0.874 32.528 31.700 -0.077 0.000 0.876 541 Q N 2.529 121.872 119.800 -0.761 0.000 2.248 541 Q HA -0.211 4.129 4.340 -0.000 0.000 0.208 541 Q C 1.681 177.044 176.000 -1.062 0.000 0.984 541 Q CA 2.369 57.089 55.803 -1.805 0.000 0.875 541 Q CB -0.346 27.590 28.738 -1.336 0.000 0.910 541 Q HN 0.560 nan 8.270 nan 0.000 0.433 542 S N -0.566 114.822 115.700 -0.520 0.000 2.423 542 S HA -0.126 4.343 4.470 -0.000 0.000 0.231 542 S C 1.243 175.742 174.600 -0.168 0.000 1.014 542 S CA 1.192 59.225 58.200 -0.279 0.000 0.965 542 S CB -0.050 63.052 63.200 -0.164 0.000 0.785 542 S HN 0.514 nan 8.310 nan 0.000 0.495 543 E N -0.225 119.903 120.200 -0.120 0.000 2.474 543 E HA 0.101 4.451 4.350 -0.000 0.000 0.195 543 E C -0.602 176.138 176.600 0.233 0.000 1.039 543 E CA -0.534 55.907 56.400 0.069 0.000 0.881 543 E CB 0.172 29.957 29.700 0.141 0.000 0.970 543 E HN 0.552 nan 8.360 nan 0.000 0.486 544 W N 1.358 122.655 121.300 -0.005 0.000 2.137 544 W HA 0.387 5.047 4.660 -0.000 0.000 0.344 544 W C 0.934 177.474 176.519 0.035 0.000 1.286 544 W CA -0.516 56.832 57.345 0.005 0.000 1.240 544 W CB 0.077 29.547 29.460 0.016 0.000 1.141 544 W HN -0.066 nan 8.180 nan 0.000 0.579 545 G N 0.307 109.258 108.800 0.252 0.000 3.166 545 G HA2 0.280 4.240 3.960 -0.000 0.000 0.267 545 G HA3 0.280 4.240 3.960 -0.000 0.000 0.267 545 G C -1.586 173.320 174.900 0.010 0.000 1.256 545 G CA -0.661 44.511 45.100 0.120 0.000 0.859 545 G HN 0.213 nan 8.290 nan 0.000 0.590 546 D N -0.286 119.968 120.400 -0.244 0.000 2.396 546 D HA 0.424 5.064 4.640 -0.000 0.000 0.225 546 D C 1.572 177.705 176.300 -0.280 0.000 1.121 546 D CA 0.226 53.850 54.000 -0.626 0.000 0.853 546 D CB 0.865 41.135 40.800 -0.883 0.000 1.043 546 D HN 0.414 nan 8.370 nan 0.000 0.500 547 G N 3.881 112.588 108.800 -0.156 0.000 2.485 547 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 547 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 547 G C 1.272 176.130 174.900 -0.070 0.000 1.115 547 G CA 0.307 45.373 45.100 -0.056 0.000 0.751 547 G HN 0.489 nan 8.290 nan 0.000 0.567 548 N N 0.763 119.394 118.700 -0.116 0.000 2.467 548 N HA 0.000 4.740 4.740 -0.000 0.000 0.184 548 N C 0.314 175.765 175.510 -0.098 0.000 1.106 548 N CA 0.348 53.344 53.050 -0.089 0.000 0.892 548 N CB 0.215 38.660 38.487 -0.070 0.000 0.969 548 N HN 0.221 nan 8.380 nan 0.000 0.454 549 N N 0.930 119.554 118.700 -0.126 0.000 2.672 549 N HA 0.177 4.916 4.740 -0.000 0.000 0.295 549 N C -2.625 172.834 175.510 -0.085 0.000 1.924 549 N CA -0.696 52.295 53.050 -0.099 0.000 0.851 549 N CB 1.841 40.262 38.487 -0.109 0.000 1.281 549 N HN 0.153 nan 8.380 nan 0.000 0.494 550 P HA 0.087 nan 4.420 nan 0.000 0.271 550 P C -0.184 177.100 177.300 -0.026 0.000 1.238 550 P CA -0.111 62.968 63.100 -0.035 0.000 0.794 550 P CB 1.102 32.794 31.700 -0.012 0.000 0.959 551 A N 0.000 122.811 122.820 -0.015 0.000 2.254 551 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 551 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 551 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 551 A HN 0.000 nan 8.150 nan 0.000 0.486