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 3ej8_1_A DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEITQLCID LGWKPKYGRF DVLPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.518 176.300 0.363 0.000 0.893 83 R CA 0.000 56.196 56.100 0.160 0.000 0.921 83 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 84 H N -1.433 117.771 119.070 0.223 0.000 3.094 84 H HA 0.676 5.232 4.556 -0.001 0.000 0.346 84 H C -0.717 174.658 175.328 0.078 0.000 1.238 84 H CA -0.261 55.900 56.048 0.188 0.000 1.209 84 H CB 1.256 31.104 29.762 0.143 0.000 1.911 84 H HN 1.149 nan 8.280 nan 0.000 0.540 85 V N 1.562 121.560 119.914 0.140 0.000 2.483 85 V HA 0.626 4.745 4.120 -0.001 0.000 0.295 85 V C 0.169 176.351 176.094 0.146 0.000 1.035 85 V CA -0.840 61.482 62.300 0.037 0.000 0.896 85 V CB 1.394 33.135 31.823 -0.137 0.000 0.986 85 V HN 1.067 nan 8.190 nan 0.000 0.447 86 R N 5.587 126.162 120.500 0.125 0.000 2.404 86 R HA 0.767 5.106 4.340 -0.001 0.000 0.291 86 R C -0.600 175.699 176.300 -0.003 0.000 1.025 86 R CA -0.560 55.586 56.100 0.077 0.000 0.991 86 R CB 1.221 31.570 30.300 0.081 0.000 1.053 86 R HN 0.979 nan 8.270 nan 0.000 0.479 87 I N -0.091 120.442 120.570 -0.062 0.000 2.647 87 I HA 0.547 4.716 4.170 -0.001 0.000 0.295 87 I C -1.146 174.835 176.117 -0.227 0.000 1.078 87 I CA -1.136 60.114 61.300 -0.082 0.000 1.048 87 I CB 2.262 40.253 38.000 -0.014 0.000 1.239 87 I HN 0.546 nan 8.210 nan 0.000 0.421 88 K N 3.281 123.500 120.400 -0.302 0.000 2.258 88 K HA 0.464 4.784 4.320 -0.001 0.000 0.236 88 K C -1.143 175.091 176.600 -0.609 0.000 1.008 88 K CA -0.892 55.040 56.287 -0.592 0.000 0.869 88 K CB 2.090 34.009 32.500 -0.968 0.000 1.171 88 K HN 0.817 nan 8.250 nan 0.000 0.447 89 N N 1.338 119.648 118.700 -0.650 0.000 2.524 89 N HA 0.212 4.951 4.740 -0.001 0.000 0.261 89 N C -0.521 174.762 175.510 -0.378 0.000 0.998 89 N CA -0.615 52.221 53.050 -0.355 0.000 0.915 89 N CB 0.585 38.945 38.487 -0.212 0.000 1.187 89 N HN 0.511 nan 8.380 nan 0.000 0.507 90 W N 2.021 123.389 121.300 0.113 0.000 2.825 90 W HA 0.217 4.877 4.660 -0.001 0.000 0.243 90 W C 1.851 178.423 176.519 0.088 0.000 1.293 90 W CA -0.219 57.194 57.345 0.112 0.000 1.403 90 W CB 0.417 29.979 29.460 0.169 0.000 1.134 90 W HN 0.608 nan 8.180 nan 0.000 0.666 91 G N -0.374 108.537 108.800 0.185 0.000 2.559 91 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.209 91 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.209 91 G C 1.542 176.436 174.900 -0.010 0.000 1.151 91 G CA 0.936 46.039 45.100 0.005 0.000 0.824 91 G HN 0.242 nan 8.290 nan 0.000 0.543 92 S N -1.022 114.663 115.700 -0.025 0.000 2.483 92 S HA 0.370 4.839 4.470 -0.001 0.000 0.221 92 S C 1.935 176.480 174.600 -0.092 0.000 1.030 92 S CA 1.180 59.348 58.200 -0.053 0.000 0.925 92 S CB 0.197 63.363 63.200 -0.057 0.000 0.795 92 S HN 1.534 nan 8.310 nan 0.000 0.511 93 G N 1.278 109.990 108.800 -0.146 0.000 2.176 93 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.253 93 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.253 93 G C -0.013 174.722 174.900 -0.273 0.000 0.979 93 G CA 0.337 45.318 45.100 -0.198 0.000 0.641 93 G HN 0.643 nan 8.290 nan 0.000 0.530 94 M N 1.497 120.913 119.600 -0.307 0.000 2.240 94 M HA 0.540 5.020 4.480 -0.001 0.000 0.333 94 M C 0.170 176.097 176.300 -0.620 0.000 1.110 94 M CA 0.815 55.864 55.300 -0.418 0.000 1.173 94 M CB 0.649 32.989 32.600 -0.433 0.000 1.458 94 M HN 0.152 nan 8.290 nan 0.000 0.458 95 T N 3.842 117.994 114.554 -0.670 0.000 2.906 95 T HA 0.671 5.020 4.350 -0.001 0.000 0.295 95 T C -1.385 172.892 174.700 -0.705 0.000 1.061 95 T CA -0.452 61.257 62.100 -0.652 0.000 1.000 95 T CB 1.055 69.710 68.868 -0.355 0.000 1.103 95 T HN 0.551 nan 8.240 nan 0.000 0.486 96 F N 0.642 120.398 119.950 -0.324 0.000 2.599 96 F HA 0.496 5.022 4.527 -0.001 0.000 0.311 96 F C 0.113 175.705 175.800 -0.346 0.000 1.076 96 F CA -1.255 56.470 58.000 -0.458 0.000 0.937 96 F CB 2.327 40.711 39.000 -1.027 0.000 1.282 96 F HN 0.238 nan 8.300 nan 0.000 0.460 97 Q N 1.971 121.748 119.800 -0.038 0.000 2.381 97 Q HA 0.149 4.489 4.340 -0.001 0.000 0.263 97 Q C -1.409 174.659 176.000 0.113 0.000 1.030 97 Q CA -0.587 55.165 55.803 -0.084 0.000 0.772 97 Q CB 1.966 30.445 28.738 -0.432 0.000 1.232 97 Q HN 0.432 nan 8.270 nan 0.000 0.476 98 D N 2.054 122.596 120.400 0.237 0.000 2.339 98 D HA 0.066 4.706 4.640 -0.001 0.000 0.241 98 D C 0.443 176.908 176.300 0.275 0.000 1.183 98 D CA 0.095 54.326 54.000 0.384 0.000 0.859 98 D CB 1.233 42.245 40.800 0.355 0.000 1.067 98 D HN 0.638 nan 8.370 nan 0.000 0.484 99 T N 1.064 115.752 114.554 0.224 0.000 2.969 99 T HA -0.046 4.303 4.350 -0.001 0.000 0.250 99 T C 1.979 176.693 174.700 0.022 0.000 1.021 99 T CA -0.252 61.951 62.100 0.171 0.000 1.003 99 T CB 0.010 68.966 68.868 0.148 0.000 1.040 99 T HN 0.271 nan 8.240 nan 0.000 0.492 100 L N 3.152 124.395 121.223 0.033 0.000 2.129 100 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 100 L C 2.629 179.431 176.870 -0.113 0.000 1.087 100 L CA 2.032 56.866 54.840 -0.009 0.000 0.757 100 L CB -0.795 41.275 42.059 0.018 0.000 0.896 100 L HN 0.581 nan 8.230 nan 0.000 0.434 101 H N -2.332 116.445 119.070 -0.488 0.000 2.518 101 H HA -0.205 4.351 4.556 -0.001 0.000 0.292 101 H C 1.641 176.685 175.328 -0.473 0.000 1.068 101 H CA 1.980 57.428 56.048 -1.000 0.000 1.275 101 H CB -1.133 27.910 29.762 -1.197 0.000 1.375 101 H HN 0.615 nan 8.280 nan 0.000 0.563 102 H N 0.941 119.569 119.070 -0.735 0.000 2.524 102 H HA 0.068 4.623 4.556 -0.001 0.000 0.282 102 H C 1.310 176.502 175.328 -0.227 0.000 1.016 102 H CA 0.590 56.338 56.048 -0.499 0.000 1.270 102 H CB 0.398 29.910 29.762 -0.417 0.000 1.394 102 H HN 0.377 nan 8.280 nan 0.000 0.568 103 K N 0.543 120.914 120.400 -0.048 0.000 2.410 103 K HA 0.246 4.565 4.320 -0.001 0.000 0.200 103 K C 0.564 177.184 176.600 0.033 0.000 1.023 103 K CA -0.215 56.077 56.287 0.008 0.000 1.149 103 K CB 0.922 33.439 32.500 0.028 0.000 0.859 103 K HN 0.122 nan 8.250 nan 0.000 0.514 104 A N 1.917 124.747 122.820 0.017 0.000 2.346 104 A HA 0.142 4.461 4.320 -0.001 0.000 0.255 104 A C -0.250 177.359 177.584 0.042 0.000 1.113 104 A CA -0.039 52.045 52.037 0.079 0.000 0.798 104 A CB 0.275 19.331 19.000 0.093 0.000 1.073 104 A HN 0.165 nan 8.150 nan 0.000 0.502 105 K N 0.383 120.802 120.400 0.032 0.000 2.265 105 K HA 0.395 4.715 4.320 -0.001 0.000 0.267 105 K C 0.375 176.980 176.600 0.009 0.000 0.994 105 K CA -0.010 56.283 56.287 0.010 0.000 0.860 105 K CB 1.496 33.989 32.500 -0.012 0.000 1.099 105 K HN 0.725 nan 8.250 nan 0.000 0.448 106 G N 3.829 112.635 108.800 0.011 0.000 2.909 106 G HA2 0.068 4.027 3.960 -0.001 0.000 0.269 106 G HA3 0.068 4.027 3.960 -0.001 0.000 0.269 106 G C 0.738 175.644 174.900 0.009 0.000 0.726 106 G CA -0.007 45.102 45.100 0.014 0.000 2.082 106 G HN 0.793 nan 8.290 nan 0.000 0.588 107 I N -2.004 118.570 120.570 0.008 0.000 4.288 107 I HA 0.385 4.555 4.170 -0.001 0.000 0.331 107 I C 0.763 176.890 176.117 0.018 0.000 1.322 107 I CA -0.460 60.845 61.300 0.007 0.000 1.149 107 I CB 0.036 38.036 38.000 -0.001 0.000 1.112 107 I HN -0.027 nan 8.210 nan 0.000 0.403 108 L N 2.159 123.397 121.223 0.024 0.000 2.479 108 L HA 0.093 4.433 4.340 -0.001 0.000 0.270 108 L C 1.734 178.626 176.870 0.036 0.000 1.236 108 L CA 0.620 55.482 54.840 0.036 0.000 0.823 108 L CB 0.521 42.610 42.059 0.050 0.000 1.098 108 L HN 0.334 nan 8.230 nan 0.000 0.500 109 T N -3.911 110.667 114.554 0.040 0.000 3.023 109 T HA 0.125 4.475 4.350 -0.001 0.000 0.253 109 T C 0.543 175.264 174.700 0.035 0.000 1.038 109 T CA -0.418 61.703 62.100 0.036 0.000 0.962 109 T CB -0.263 68.628 68.868 0.038 0.000 1.018 109 T HN 0.470 nan 8.240 nan 0.000 0.521 110 C N 3.361 122.684 119.300 0.039 0.000 2.662 110 C HA 0.662 5.121 4.460 -0.001 0.000 0.420 110 C C 0.640 175.648 174.990 0.030 0.000 1.314 110 C CA -0.816 58.223 59.018 0.036 0.000 1.963 110 C CB -0.463 27.302 27.740 0.041 0.000 2.686 110 C HN 0.487 nan 8.230 nan 0.000 0.609 111 R N 1.251 121.766 120.500 0.025 0.000 2.836 111 R HA 0.314 4.654 4.340 -0.001 0.000 0.269 111 R C 0.852 177.163 176.300 0.018 0.000 1.010 111 R CA -0.504 55.609 56.100 0.021 0.000 0.930 111 R CB 0.880 31.191 30.300 0.018 0.000 1.218 111 R HN 0.790 nan 8.270 nan 0.000 0.473 112 S N -0.112 115.598 115.700 0.016 0.000 2.528 112 S HA -0.152 4.317 4.470 -0.001 0.000 0.244 112 S C 0.932 175.538 174.600 0.010 0.000 0.982 112 S CA 1.187 59.395 58.200 0.012 0.000 0.953 112 S CB -0.079 63.127 63.200 0.011 0.000 0.754 112 S HN 0.481 nan 8.310 nan 0.000 0.529 113 K N 1.261 121.668 120.400 0.011 0.000 2.242 113 K HA 0.191 4.511 4.320 -0.001 0.000 0.200 113 K C 0.397 177.003 176.600 0.010 0.000 1.050 113 K CA 0.684 56.977 56.287 0.009 0.000 0.981 113 K CB 0.468 32.974 32.500 0.010 0.000 0.795 113 K HN 0.541 nan 8.250 nan 0.000 0.477 114 S N -1.261 114.446 115.700 0.013 0.000 2.548 114 S HA 0.233 4.703 4.470 -0.001 0.000 0.278 114 S C -1.175 173.436 174.600 0.018 0.000 1.150 114 S CA -1.365 56.843 58.200 0.014 0.000 0.907 114 S CB 0.835 64.044 63.200 0.015 0.000 1.108 114 S HN 0.134 nan 8.310 nan 0.000 0.459 115 C N 4.030 123.340 119.300 0.017 0.000 2.285 115 C HA 0.721 5.180 4.460 -0.001 0.000 0.335 115 C C 0.363 175.373 174.990 0.032 0.000 1.267 115 C CA -0.574 58.459 59.018 0.024 0.000 1.762 115 C CB -1.294 26.456 27.740 0.017 0.000 2.365 115 C HN 0.862 nan 8.230 nan 0.000 0.527 116 L N 6.006 127.254 121.223 0.042 0.000 2.984 116 L HA 0.334 4.674 4.340 -0.001 0.000 0.246 116 L C 2.026 178.936 176.870 0.067 0.000 1.268 116 L CA 0.610 55.480 54.840 0.051 0.000 1.054 116 L CB 0.072 42.160 42.059 0.048 0.000 1.393 116 L HN 1.021 nan 8.230 nan 0.000 0.532 117 G N -0.674 108.168 108.800 0.070 0.000 2.535 117 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.218 117 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.218 117 G C 1.321 176.296 174.900 0.124 0.000 1.122 117 G CA 0.975 46.131 45.100 0.094 0.000 0.769 117 G HN 0.505 nan 8.290 nan 0.000 0.549 118 S N -0.003 115.766 115.700 0.114 0.000 2.583 118 S HA 0.391 4.861 4.470 -0.001 0.000 0.239 118 S C 0.428 175.111 174.600 0.138 0.000 0.966 118 S CA -0.656 57.628 58.200 0.140 0.000 0.973 118 S CB 0.046 63.314 63.200 0.113 0.000 0.794 118 S HN 0.002 nan 8.310 nan 0.000 0.463 119 I N 2.416 123.061 120.570 0.125 0.000 2.352 119 I HA 0.235 4.405 4.170 -0.001 0.000 0.290 119 I C 1.378 177.585 176.117 0.150 0.000 1.036 119 I CA -0.183 61.186 61.300 0.114 0.000 1.336 119 I CB 0.635 38.687 38.000 0.088 0.000 1.407 119 I HN 0.354 nan 8.210 nan 0.000 0.497 120 M N 4.710 124.408 119.600 0.164 0.000 2.064 120 M HA -0.095 4.385 4.480 -0.001 0.000 0.260 120 M C 0.503 176.889 176.300 0.142 0.000 1.073 120 M CA 1.796 57.231 55.300 0.225 0.000 1.124 120 M CB 0.220 32.955 32.600 0.224 0.000 1.326 120 M HN 0.577 nan 8.290 nan 0.000 0.410 121 T N 2.977 117.558 114.554 0.045 0.000 3.254 121 T HA 0.409 4.758 4.350 -0.001 0.000 0.385 121 T C -2.386 172.330 174.700 0.028 0.000 1.528 121 T CA -1.211 60.850 62.100 -0.064 0.000 1.212 121 T CB 0.296 69.019 68.868 -0.242 0.000 1.145 121 T HN 0.344 nan 8.240 nan 0.000 0.631 122 P HA 0.345 nan 4.420 nan 0.000 0.279 122 P C 0.546 177.920 177.300 0.123 0.000 1.239 122 P CA -0.597 62.565 63.100 0.104 0.000 0.789 122 P CB 1.711 33.476 31.700 0.108 0.000 0.933 123 K N 0.852 121.301 120.400 0.082 0.000 2.209 123 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 123 K C 2.063 178.722 176.600 0.097 0.000 1.048 123 K CA 1.818 58.151 56.287 0.077 0.000 0.940 123 K CB -0.288 32.237 32.500 0.042 0.000 0.729 123 K HN 0.580 nan 8.250 nan 0.000 0.451 124 S N 1.035 116.790 115.700 0.093 0.000 2.400 124 S HA -0.118 4.351 4.470 -0.001 0.000 0.232 124 S C 1.658 176.340 174.600 0.136 0.000 1.025 124 S CA 0.955 59.207 58.200 0.086 0.000 0.993 124 S CB -0.267 62.972 63.200 0.065 0.000 0.808 124 S HN 0.258 nan 8.310 nan 0.000 0.478 125 L N 1.092 122.433 121.223 0.197 0.000 2.667 125 L HA 0.295 4.634 4.340 -0.001 0.000 0.232 125 L C -0.082 177.045 176.870 0.429 0.000 1.138 125 L CA -0.110 54.890 54.840 0.267 0.000 0.921 125 L CB 0.109 42.279 42.059 0.184 0.000 1.180 125 L HN 0.205 nan 8.230 nan 0.000 0.487 126 T N -0.013 114.753 114.554 0.352 0.000 2.824 126 T HA 0.410 4.759 4.350 -0.001 0.000 0.280 126 T C -0.305 174.487 174.700 0.154 0.000 0.995 126 T CA -0.427 61.858 62.100 0.308 0.000 1.009 126 T CB 2.190 71.175 68.868 0.195 0.000 0.955 126 T HN -0.073 nan 8.240 nan 0.000 0.452 127 R N 1.905 122.467 120.500 0.103 0.000 2.272 127 R HA 0.562 4.902 4.340 -0.001 0.000 0.323 127 R C 0.548 176.828 176.300 -0.033 0.000 1.002 127 R CA -0.396 55.653 56.100 -0.085 0.000 0.900 127 R CB 0.134 30.293 30.300 -0.235 0.000 1.151 127 R HN 0.829 nan 8.270 nan 0.000 0.507 128 G N 3.747 112.519 108.800 -0.047 0.000 2.683 128 G HA2 0.260 4.220 3.960 -0.001 0.000 0.260 128 G HA3 0.260 4.220 3.960 -0.001 0.000 0.260 128 G C -2.028 172.840 174.900 -0.053 0.000 1.238 128 G CA -0.806 44.266 45.100 -0.046 0.000 0.934 128 G HN 0.574 nan 8.290 nan 0.000 0.534 129 P HA 0.387 nan 4.420 nan 0.000 0.279 129 P C -0.844 176.427 177.300 -0.049 0.000 1.252 129 P CA -0.426 62.643 63.100 -0.051 0.000 0.811 129 P CB 1.476 33.144 31.700 -0.055 0.000 1.035 130 R N 0.712 121.184 120.500 -0.047 0.000 2.803 130 R HA 0.434 4.773 4.340 -0.001 0.000 0.276 130 R C -0.299 175.973 176.300 -0.046 0.000 0.978 130 R CA -0.687 55.385 56.100 -0.048 0.000 0.939 130 R CB 1.054 31.322 30.300 -0.053 0.000 1.179 130 R HN 0.402 nan 8.270 nan 0.000 0.472 131 D N 0.446 120.818 120.400 -0.046 0.000 2.650 131 D HA 0.128 4.767 4.640 -0.001 0.000 0.265 131 D C -0.415 175.852 176.300 -0.055 0.000 1.339 131 D CA -0.370 53.600 54.000 -0.049 0.000 0.816 131 D CB 0.460 41.235 40.800 -0.041 0.000 1.091 131 D HN 0.387 nan 8.370 nan 0.000 0.483 132 K N 0.556 120.923 120.400 -0.056 0.000 2.570 132 K HA 0.374 4.693 4.320 -0.001 0.000 0.256 132 K C -3.103 173.464 176.600 -0.054 0.000 0.939 132 K CA -1.366 54.888 56.287 -0.054 0.000 0.833 132 K CB 1.974 34.449 32.500 -0.042 0.000 1.318 132 K HN -0.291 nan 8.250 nan 0.000 0.433 133 P HA -0.076 nan 4.420 nan 0.000 0.272 133 P C -0.726 176.550 177.300 -0.040 0.000 1.225 133 P CA 0.023 63.093 63.100 -0.051 0.000 0.800 133 P CB 0.390 32.064 31.700 -0.044 0.000 0.894 134 T N 2.898 117.430 114.554 -0.037 0.000 2.729 134 T HA 0.248 4.597 4.350 -0.001 0.000 0.296 134 T C -2.198 172.495 174.700 -0.012 0.000 0.928 134 T CA -1.056 61.027 62.100 -0.027 0.000 1.045 134 T CB -0.286 68.566 68.868 -0.026 0.000 0.902 134 T HN 0.253 nan 8.240 nan 0.000 0.500 135 P HA 0.017 nan 4.420 nan 0.000 0.257 135 P C -1.916 175.387 177.300 0.005 0.000 1.162 135 P CA -0.924 62.173 63.100 -0.006 0.000 0.762 135 P CB 0.224 31.919 31.700 -0.008 0.000 0.753 136 P HA -0.243 nan 4.420 nan 0.000 0.216 136 P C 0.979 178.288 177.300 0.014 0.000 1.157 136 P CA 1.532 64.643 63.100 0.019 0.000 0.880 136 P CB 0.012 31.721 31.700 0.016 0.000 0.791 137 D N -0.477 119.926 120.400 0.006 0.000 2.106 137 D HA -0.183 4.456 4.640 -0.001 0.000 0.191 137 D C 1.872 178.175 176.300 0.005 0.000 0.997 137 D CA 1.239 55.241 54.000 0.003 0.000 0.834 137 D CB -0.639 40.161 40.800 -0.000 0.000 0.956 137 D HN 0.384 nan 8.370 nan 0.000 0.448 138 E N 0.058 120.261 120.200 0.005 0.000 2.110 138 E HA -0.145 4.204 4.350 -0.001 0.000 0.193 138 E C 2.193 178.803 176.600 0.018 0.000 0.988 138 E CA 0.262 56.666 56.400 0.007 0.000 0.804 138 E CB -0.129 29.572 29.700 0.001 0.000 0.745 138 E HN 0.155 nan 8.360 nan 0.000 0.458 139 L N 1.196 122.435 121.223 0.027 0.000 2.083 139 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 139 L C 2.236 179.128 176.870 0.036 0.000 1.083 139 L CA 1.044 55.916 54.840 0.054 0.000 0.752 139 L CB -0.332 41.776 42.059 0.082 0.000 0.899 139 L HN 0.106 nan 8.230 nan 0.000 0.433 140 L N 0.263 121.490 121.223 0.007 0.000 2.013 140 L HA -0.134 4.205 4.340 -0.001 0.000 0.212 140 L C -0.503 176.359 176.870 -0.014 0.000 1.073 140 L CA 2.174 56.999 54.840 -0.025 0.000 0.753 140 L CB -1.763 40.284 42.059 -0.020 0.000 0.890 140 L HN 0.194 nan 8.230 nan 0.000 0.432 141 P HA -0.194 nan 4.420 nan 0.000 0.215 141 P C 1.484 178.809 177.300 0.042 0.000 1.157 141 P CA 1.605 64.717 63.100 0.019 0.000 0.868 141 P CB -0.099 31.613 31.700 0.019 0.000 0.788 142 Q N -0.640 119.194 119.800 0.056 0.000 2.079 142 Q HA -0.111 4.228 4.340 -0.001 0.000 0.200 142 Q C 2.279 178.361 176.000 0.136 0.000 0.974 142 Q CA 1.584 57.446 55.803 0.098 0.000 0.840 142 Q CB -0.820 27.976 28.738 0.097 0.000 0.898 142 Q HN 0.166 nan 8.270 nan 0.000 0.430 143 A N 1.534 124.394 122.820 0.067 0.000 1.883 143 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 143 A C 2.076 179.683 177.584 0.037 0.000 1.186 143 A CA 1.312 53.324 52.037 -0.041 0.000 0.624 143 A CB -0.594 18.119 19.000 -0.477 0.000 0.822 143 A HN 0.257 nan 8.150 nan 0.000 0.444 144 I N -0.184 120.395 120.570 0.015 0.000 2.226 144 I HA -0.233 3.937 4.170 -0.001 0.000 0.245 144 I C 2.411 178.593 176.117 0.108 0.000 1.100 144 I CA 1.842 63.172 61.300 0.050 0.000 1.374 144 I CB -1.536 36.481 38.000 0.029 0.000 1.057 144 I HN 0.547 nan 8.210 nan 0.000 0.413 145 E N 0.624 120.898 120.200 0.123 0.000 2.058 145 E HA -0.280 4.069 4.350 -0.001 0.000 0.194 145 E C 2.260 178.975 176.600 0.192 0.000 0.997 145 E CA 1.447 57.931 56.400 0.140 0.000 0.801 145 E CB -0.195 29.586 29.700 0.136 0.000 0.746 145 E HN 0.360 nan 8.360 nan 0.000 0.450 146 F N 0.820 120.842 119.950 0.119 0.000 2.075 146 F HA -0.200 4.326 4.527 -0.001 0.000 0.297 146 F C 2.035 177.929 175.800 0.156 0.000 1.113 146 F CA 1.304 59.400 58.000 0.160 0.000 1.218 146 F CB -0.613 38.508 39.000 0.202 0.000 0.984 146 F HN -0.137 nan 8.300 nan 0.000 0.472 147 V N 1.182 121.110 119.914 0.023 0.000 2.252 147 V HA -0.420 3.700 4.120 -0.001 0.000 0.249 147 V C 2.152 178.215 176.094 -0.050 0.000 1.056 147 V CA 2.509 64.810 62.300 0.000 0.000 1.022 147 V CB -1.272 30.656 31.823 0.175 0.000 0.641 147 V HN 0.434 nan 8.190 nan 0.000 0.445 148 N N -0.338 118.373 118.700 0.017 0.000 2.037 148 N HA -0.326 4.413 4.740 -0.001 0.000 0.196 148 N C 2.035 177.452 175.510 -0.154 0.000 1.034 148 N CA 1.815 54.861 53.050 -0.005 0.000 0.861 148 N CB -0.223 38.327 38.487 0.105 0.000 1.039 148 N HN 0.614 nan 8.380 nan 0.000 0.427 149 Q N 0.188 119.914 119.800 -0.123 0.000 2.096 149 Q HA -0.255 4.084 4.340 -0.001 0.000 0.204 149 Q C 1.948 177.709 176.000 -0.399 0.000 0.982 149 Q CA 1.465 57.189 55.803 -0.133 0.000 0.850 149 Q CB -0.230 28.536 28.738 0.046 0.000 0.901 149 Q HN 0.554 nan 8.270 nan 0.000 0.422 150 Y N -0.519 119.233 120.300 -0.913 0.000 2.053 150 Y HA -0.342 4.207 4.550 -0.001 0.000 0.277 150 Y C 1.645 176.793 175.900 -1.253 0.000 1.159 150 Y CA 1.857 59.044 58.100 -1.522 0.000 1.125 150 Y CB -0.230 37.405 38.460 -1.376 0.000 0.969 150 Y HN 0.205 nan 8.280 nan 0.000 0.492 151 Y N -0.139 119.668 120.300 -0.822 0.000 2.439 151 Y HA -0.011 4.539 4.550 -0.001 0.000 0.292 151 Y C 2.472 178.101 175.900 -0.451 0.000 1.130 151 Y CA 0.980 58.712 58.100 -0.614 0.000 1.254 151 Y CB -0.645 37.397 38.460 -0.696 0.000 1.000 151 Y HN 0.233 nan 8.280 nan 0.000 0.554 152 G N -1.214 107.377 108.800 -0.347 0.000 2.598 152 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.215 152 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.215 152 G C 1.719 176.495 174.900 -0.208 0.000 1.131 152 G CA 0.952 45.947 45.100 -0.177 0.000 0.785 152 G HN 0.456 nan 8.290 nan 0.000 0.539 153 S N -0.092 115.341 115.700 -0.446 0.000 2.470 153 S HA 0.233 4.702 4.470 -0.001 0.000 0.225 153 S C 0.658 175.035 174.600 -0.373 0.000 1.006 153 S CA -0.497 57.468 58.200 -0.392 0.000 0.934 153 S CB -0.277 62.653 63.200 -0.450 0.000 0.778 153 S HN 0.022 nan 8.310 nan 0.000 0.517 154 F N 3.892 123.705 119.950 -0.228 0.000 2.518 154 F HA 0.304 4.830 4.527 -0.001 0.000 0.359 154 F C 1.888 177.638 175.800 -0.084 0.000 1.118 154 F CA -1.003 56.895 58.000 -0.169 0.000 1.287 154 F CB 0.534 39.406 39.000 -0.213 0.000 1.132 154 F HN 0.032 nan 8.300 nan 0.000 0.587 155 K N 1.936 122.427 120.400 0.151 0.000 1.991 155 K HA -0.174 4.145 4.320 -0.001 0.000 0.212 155 K C -0.203 176.438 176.600 0.069 0.000 1.049 155 K CA 1.522 57.857 56.287 0.080 0.000 0.932 155 K CB -0.554 31.983 32.500 0.063 0.000 0.717 155 K HN 0.660 nan 8.250 nan 0.000 0.441 156 E N 1.372 121.612 120.200 0.067 0.000 2.114 156 E HA 0.467 4.816 4.350 -0.001 0.000 0.266 156 E C -0.814 175.802 176.600 0.026 0.000 0.896 156 E CA -0.602 55.816 56.400 0.030 0.000 0.750 156 E CB 1.536 31.235 29.700 -0.002 0.000 1.121 156 E HN 0.385 nan 8.360 nan 0.000 0.413 157 A N 3.952 126.800 122.820 0.048 0.000 2.615 157 A HA -0.092 4.227 4.320 -0.001 0.000 0.230 157 A C 0.168 177.754 177.584 0.004 0.000 1.062 157 A CA 0.617 52.693 52.037 0.064 0.000 0.758 157 A CB 0.201 19.241 19.000 0.067 0.000 0.995 157 A HN 0.661 nan 8.150 nan 0.000 0.511 158 K N 1.913 122.330 120.400 0.028 0.000 3.098 158 K HA 0.205 4.524 4.320 -0.001 0.000 0.170 158 K C 0.342 176.936 176.600 -0.011 0.000 1.106 158 K CA -0.357 55.910 56.287 -0.034 0.000 0.864 158 K CB 0.344 32.764 32.500 -0.133 0.000 1.047 158 K HN 0.596 nan 8.250 nan 0.000 0.609 159 I N -0.699 119.869 120.570 -0.004 0.000 2.091 159 I HA -0.379 3.791 4.170 -0.001 0.000 0.240 159 I C 1.860 177.914 176.117 -0.105 0.000 1.046 159 I CA 1.605 62.880 61.300 -0.041 0.000 1.306 159 I CB -0.739 37.230 38.000 -0.051 0.000 1.018 159 I HN 0.391 nan 8.210 nan 0.000 0.404 160 E N 0.612 120.757 120.200 -0.092 0.000 2.033 160 E HA -0.280 4.069 4.350 -0.001 0.000 0.199 160 E C 2.168 178.688 176.600 -0.133 0.000 1.011 160 E CA 2.048 58.389 56.400 -0.098 0.000 0.815 160 E CB -0.247 29.411 29.700 -0.070 0.000 0.755 160 E HN 0.613 nan 8.360 nan 0.000 0.451 161 E N -0.163 119.947 120.200 -0.150 0.000 2.038 161 E HA -0.209 4.141 4.350 -0.001 0.000 0.195 161 E C 1.904 178.207 176.600 -0.496 0.000 1.000 161 E CA 1.395 57.670 56.400 -0.208 0.000 0.803 161 E CB -0.489 29.159 29.700 -0.088 0.000 0.750 161 E HN 0.427 nan 8.360 nan 0.000 0.448 162 H N -0.305 118.227 119.070 -0.897 0.000 2.289 162 H HA -0.184 4.372 4.556 -0.001 0.000 0.296 162 H C 2.165 177.210 175.328 -0.471 0.000 1.091 162 H CA 1.370 56.789 56.048 -1.049 0.000 1.274 162 H CB -0.113 29.322 29.762 -0.544 0.000 1.364 162 H HN 0.155 nan 8.280 nan 0.000 0.490 163 L N 0.970 122.030 121.223 -0.272 0.000 1.970 163 L HA -0.153 4.187 4.340 -0.001 0.000 0.212 163 L C 2.783 179.567 176.870 -0.142 0.000 1.071 163 L CA 2.064 56.762 54.840 -0.236 0.000 0.751 163 L CB -1.081 40.861 42.059 -0.194 0.000 0.889 163 L HN 0.424 nan 8.230 nan 0.000 0.432 164 A N -0.645 122.100 122.820 -0.125 0.000 1.927 164 A HA -0.327 3.992 4.320 -0.001 0.000 0.220 164 A C 2.426 179.984 177.584 -0.042 0.000 1.185 164 A CA 2.247 54.241 52.037 -0.072 0.000 0.639 164 A CB -0.706 18.259 19.000 -0.059 0.000 0.820 164 A HN 0.494 nan 8.150 nan 0.000 0.451 165 R N -0.237 120.228 120.500 -0.058 0.000 2.075 165 R HA -0.042 4.298 4.340 -0.001 0.000 0.232 165 R C 1.887 178.208 176.300 0.036 0.000 1.126 165 R CA 1.906 58.023 56.100 0.027 0.000 0.963 165 R CB -1.148 29.197 30.300 0.075 0.000 0.858 165 R HN 0.287 nan 8.270 nan 0.000 0.435 166 V N 1.189 121.110 119.914 0.012 0.000 2.287 166 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 166 V C 2.122 178.206 176.094 -0.016 0.000 1.053 166 V CA 2.290 64.596 62.300 0.009 0.000 1.027 166 V CB -0.527 31.286 31.823 -0.016 0.000 0.646 166 V HN 0.412 nan 8.190 nan 0.000 0.447 167 E N 0.413 120.595 120.200 -0.029 0.000 2.047 167 E HA -0.183 4.167 4.350 -0.001 0.000 0.191 167 E C 2.370 178.965 176.600 -0.009 0.000 0.987 167 E CA 1.306 57.691 56.400 -0.025 0.000 0.799 167 E CB -0.369 29.311 29.700 -0.033 0.000 0.752 167 E HN 0.583 nan 8.360 nan 0.000 0.449 168 A N 1.075 123.897 122.820 0.004 0.000 1.940 168 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 168 A C 2.453 180.055 177.584 0.031 0.000 1.176 168 A CA 1.267 53.319 52.037 0.025 0.000 0.631 168 A CB -0.480 18.546 19.000 0.044 0.000 0.814 168 A HN 0.121 nan 8.150 nan 0.000 0.446 169 V N -0.633 119.292 119.914 0.018 0.000 2.788 169 V HA -0.128 3.992 4.120 -0.001 0.000 0.251 169 V C 2.565 178.624 176.094 -0.058 0.000 1.068 169 V CA 2.042 64.331 62.300 -0.018 0.000 1.090 169 V CB -1.022 30.749 31.823 -0.087 0.000 0.710 169 V HN 0.578 nan 8.190 nan 0.000 0.467 170 T N 0.086 114.614 114.554 -0.043 0.000 2.746 170 T HA -0.186 4.163 4.350 -0.001 0.000 0.267 170 T C 1.918 176.608 174.700 -0.016 0.000 1.039 170 T CA 1.423 63.500 62.100 -0.039 0.000 1.142 170 T CB -0.182 68.668 68.868 -0.030 0.000 0.866 170 T HN 0.476 nan 8.240 nan 0.000 0.444 171 K N 0.875 121.274 120.400 -0.003 0.000 2.097 171 K HA -0.076 4.243 4.320 -0.001 0.000 0.205 171 K C 2.417 179.031 176.600 0.022 0.000 1.050 171 K CA 1.101 57.394 56.287 0.009 0.000 0.938 171 K CB -0.079 32.428 32.500 0.012 0.000 0.718 171 K HN 0.421 nan 8.250 nan 0.000 0.442 172 E N 1.099 121.321 120.200 0.035 0.000 2.072 172 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 172 E C 1.911 178.550 176.600 0.065 0.000 0.985 172 E CA 0.834 57.272 56.400 0.062 0.000 0.801 172 E CB 0.072 29.834 29.700 0.103 0.000 0.750 172 E HN 0.242 nan 8.360 nan 0.000 0.452 173 I N 0.944 121.544 120.570 0.050 0.000 2.394 173 I HA -0.199 3.970 4.170 -0.001 0.000 0.251 173 I C 2.579 178.716 176.117 0.033 0.000 1.136 173 I CA 0.850 62.182 61.300 0.053 0.000 1.425 173 I CB -0.328 37.683 38.000 0.019 0.000 1.079 173 I HN 0.237 nan 8.210 nan 0.000 0.425 174 E N 1.154 121.365 120.200 0.019 0.000 2.017 174 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 174 E C 2.235 178.846 176.600 0.018 0.000 0.997 174 E CA 2.450 58.858 56.400 0.014 0.000 0.804 174 E CB 0.010 29.715 29.700 0.008 0.000 0.757 174 E HN 0.527 nan 8.360 nan 0.000 0.448 175 T N -2.436 112.132 114.554 0.022 0.000 2.896 175 T HA -0.009 4.341 4.350 -0.001 0.000 0.263 175 T C 1.957 176.673 174.700 0.027 0.000 1.050 175 T CA 1.520 63.633 62.100 0.022 0.000 1.140 175 T CB -0.327 68.555 68.868 0.023 0.000 0.877 175 T HN 0.024 nan 8.240 nan 0.000 0.457 176 T N 0.437 115.013 114.554 0.037 0.000 2.976 176 T HA 0.398 4.747 4.350 -0.001 0.000 0.257 176 T C 1.598 176.322 174.700 0.040 0.000 1.051 176 T CA 0.871 62.996 62.100 0.042 0.000 1.141 176 T CB -0.567 68.336 68.868 0.059 0.000 0.881 176 T HN 0.820 nan 8.240 nan 0.000 0.461 177 G N 1.180 110.007 108.800 0.045 0.000 2.132 177 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.228 177 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.228 177 G C 0.269 175.205 174.900 0.059 0.000 1.000 177 G CA 0.422 45.546 45.100 0.040 0.000 0.693 177 G HN 0.861 nan 8.290 nan 0.000 0.515 178 T N -1.721 112.894 114.554 0.102 0.000 2.672 178 T HA 0.548 4.898 4.350 -0.001 0.000 0.302 178 T C -1.295 173.556 174.700 0.252 0.000 1.863 178 T CA 0.410 62.607 62.100 0.161 0.000 0.979 178 T CB 0.609 69.509 68.868 0.053 0.000 1.905 178 T HN 1.748 nan 8.240 nan 0.000 0.507 179 Y N -0.033 120.279 120.300 0.021 0.000 2.705 179 Y HA 0.911 5.460 4.550 -0.001 0.000 0.332 179 Y C -0.960 174.969 175.900 0.049 0.000 1.157 179 Y CA -1.182 56.944 58.100 0.043 0.000 1.091 179 Y CB 0.804 39.303 38.460 0.065 0.000 1.301 179 Y HN 0.524 nan 8.280 nan 0.000 0.488 180 Q N 1.274 121.107 119.800 0.056 0.000 2.377 180 Q HA 0.526 4.866 4.340 -0.001 0.000 0.271 180 Q C -1.232 174.793 176.000 0.041 0.000 1.077 180 Q CA -0.821 54.962 55.803 -0.032 0.000 0.820 180 Q CB 3.184 31.949 28.738 0.046 0.000 1.347 180 Q HN 0.829 nan 8.270 nan 0.000 0.444 181 L N 1.381 122.606 121.223 0.003 0.000 2.357 181 L HA 0.368 4.707 4.340 -0.001 0.000 0.273 181 L C 1.106 178.024 176.870 0.079 0.000 1.080 181 L CA -0.519 54.368 54.840 0.080 0.000 0.803 181 L CB 1.111 43.182 42.059 0.020 0.000 1.174 181 L HN 0.719 nan 8.230 nan 0.000 0.443 182 T N -0.884 113.727 114.554 0.095 0.000 2.726 182 T HA 0.158 4.508 4.350 -0.001 0.000 0.294 182 T C 1.313 176.030 174.700 0.028 0.000 1.013 182 T CA -0.123 62.020 62.100 0.072 0.000 0.996 182 T CB 1.229 70.154 68.868 0.095 0.000 1.016 182 T HN 0.693 nan 8.240 nan 0.000 0.529 183 G N 0.377 109.194 108.800 0.028 0.000 2.433 183 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 183 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 183 G C 1.136 176.036 174.900 -0.001 0.000 1.186 183 G CA 0.771 45.875 45.100 0.006 0.000 0.779 183 G HN 0.780 nan 8.290 nan 0.000 0.543 184 D N 0.464 120.879 120.400 0.025 0.000 2.182 184 D HA -0.063 4.576 4.640 -0.001 0.000 0.201 184 D C 2.331 178.585 176.300 -0.076 0.000 0.986 184 D CA 0.908 54.938 54.000 0.050 0.000 0.847 184 D CB -0.202 40.701 40.800 0.171 0.000 0.942 184 D HN 0.481 nan 8.370 nan 0.000 0.467 185 E N -0.327 119.738 120.200 -0.225 0.000 2.047 185 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 185 E C 2.017 178.638 176.600 0.036 0.000 0.987 185 E CA 0.235 56.442 56.400 -0.322 0.000 0.799 185 E CB -0.042 29.570 29.700 -0.148 0.000 0.752 185 E HN 0.093 nan 8.360 nan 0.000 0.449 186 L N 1.061 122.272 121.223 -0.019 0.000 2.046 186 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 186 L C 1.969 178.806 176.870 -0.056 0.000 1.077 186 L CA 1.475 56.266 54.840 -0.083 0.000 0.747 186 L CB -0.194 41.786 42.059 -0.131 0.000 0.896 186 L HN 0.136 nan 8.230 nan 0.000 0.432 187 I N -1.355 119.207 120.570 -0.014 0.000 2.226 187 I HA -0.311 3.858 4.170 -0.001 0.000 0.245 187 I C 2.341 178.503 176.117 0.076 0.000 1.100 187 I CA 1.594 62.897 61.300 0.004 0.000 1.374 187 I CB -0.409 37.600 38.000 0.015 0.000 1.057 187 I HN 0.333 nan 8.210 nan 0.000 0.413 188 F N 1.851 121.794 119.950 -0.011 0.000 2.102 188 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 188 F C 2.491 178.346 175.800 0.091 0.000 1.105 188 F CA 1.489 59.520 58.000 0.052 0.000 1.239 188 F CB -0.355 38.651 39.000 0.010 0.000 0.991 188 F HN -0.013 nan 8.300 nan 0.000 0.474 189 A N 0.196 123.116 122.820 0.167 0.000 1.883 189 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 189 A C 2.276 179.757 177.584 -0.171 0.000 1.186 189 A CA 2.758 54.796 52.037 0.001 0.000 0.624 189 A CB -1.732 17.211 19.000 -0.096 0.000 0.822 189 A HN 0.574 nan 8.150 nan 0.000 0.444 190 T N -1.944 112.533 114.554 -0.129 0.000 2.788 190 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 190 T C 1.809 176.528 174.700 0.033 0.000 1.044 190 T CA 1.659 63.717 62.100 -0.070 0.000 1.139 190 T CB -0.284 68.551 68.868 -0.056 0.000 0.867 190 T HN 0.538 nan 8.240 nan 0.000 0.454 191 K N 0.323 120.737 120.400 0.024 0.000 2.062 191 K HA 0.035 4.355 4.320 -0.001 0.000 0.205 191 K C 2.887 179.507 176.600 0.034 0.000 1.051 191 K CA 0.900 57.289 56.287 0.170 0.000 0.941 191 K CB -0.082 32.536 32.500 0.197 0.000 0.719 191 K HN 0.259 nan 8.250 nan 0.000 0.440 192 Q N 0.280 119.918 119.800 -0.271 0.000 2.119 192 Q HA -0.065 4.275 4.340 -0.001 0.000 0.201 192 Q C 2.155 177.981 176.000 -0.290 0.000 0.972 192 Q CA 1.367 56.915 55.803 -0.426 0.000 0.847 192 Q CB -0.187 28.170 28.738 -0.634 0.000 0.903 192 Q HN 0.296 nan 8.270 nan 0.000 0.433 193 A N 0.246 122.910 122.820 -0.260 0.000 1.902 193 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 193 A C 1.803 179.286 177.584 -0.169 0.000 1.181 193 A CA 1.402 53.205 52.037 -0.391 0.000 0.623 193 A CB -0.917 17.587 19.000 -0.827 0.000 0.818 193 A HN 0.541 nan 8.150 nan 0.000 0.443 194 W N 0.947 122.179 121.300 -0.113 0.000 2.378 194 W HA -0.119 4.540 4.660 -0.001 0.000 0.313 194 W C 2.302 178.709 176.519 -0.187 0.000 1.197 194 W CA 1.541 58.845 57.345 -0.069 0.000 1.304 194 W CB -0.774 28.626 29.460 -0.101 0.000 1.148 194 W HN 0.354 nan 8.180 nan 0.000 0.494 195 R N 0.456 120.828 120.500 -0.213 0.000 2.159 195 R HA -0.182 4.158 4.340 -0.001 0.000 0.237 195 R C 0.997 177.105 176.300 -0.319 0.000 1.131 195 R CA 1.735 57.514 56.100 -0.534 0.000 0.982 195 R CB -0.566 29.122 30.300 -1.020 0.000 0.868 195 R HN 0.054 nan 8.270 nan 0.000 0.453 196 N N 0.135 118.690 118.700 -0.241 0.000 2.313 196 N HA 0.082 4.822 4.740 -0.001 0.000 0.207 196 N C -0.974 174.422 175.510 -0.190 0.000 1.141 196 N CA 0.372 53.310 53.050 -0.186 0.000 0.830 196 N CB 1.204 39.616 38.487 -0.126 0.000 1.008 196 N HN 0.172 nan 8.380 nan 0.000 0.481 197 A N 1.239 123.960 122.820 -0.165 0.000 2.415 197 A HA 0.385 4.705 4.320 -0.001 0.000 0.309 197 A C -1.367 176.147 177.584 -0.115 0.000 1.356 197 A CA -1.177 50.732 52.037 -0.214 0.000 0.998 197 A CB 0.627 19.576 19.000 -0.085 0.000 1.145 197 A HN -0.019 nan 8.150 nan 0.000 0.545 198 P HA -0.147 nan 4.420 nan 0.000 0.218 198 P C 1.012 178.295 177.300 -0.027 0.000 1.148 198 P CA 1.218 64.284 63.100 -0.056 0.000 0.822 198 P CB 0.156 31.822 31.700 -0.057 0.000 0.784 199 R N -2.079 118.367 120.500 -0.090 0.000 2.334 199 R HA 0.171 4.511 4.340 -0.001 0.000 0.220 199 R C 0.177 176.545 176.300 0.114 0.000 0.917 199 R CA -0.168 55.945 56.100 0.022 0.000 1.073 199 R CB -0.537 29.609 30.300 -0.257 0.000 1.056 199 R HN 0.193 nan 8.270 nan 0.000 0.506 200 C N 0.564 119.883 119.300 0.031 0.000 2.295 200 C HA 0.353 4.813 4.460 -0.001 0.000 0.331 200 C C 1.643 176.620 174.990 -0.020 0.000 1.280 200 C CA -0.796 58.250 59.018 0.046 0.000 1.746 200 C CB -0.133 27.666 27.740 0.099 0.000 2.328 200 C HN 0.572 nan 8.230 nan 0.000 0.521 201 I N 4.015 124.544 120.570 -0.068 0.000 3.603 201 I HA 0.208 4.377 4.170 -0.001 0.000 0.297 201 I C 1.884 178.044 176.117 0.071 0.000 1.269 201 I CA 0.936 62.143 61.300 -0.155 0.000 1.361 201 I CB 0.114 37.996 38.000 -0.197 0.000 1.063 201 I HN 0.916 nan 8.210 nan 0.000 0.448 202 G N 0.063 108.900 108.800 0.063 0.000 3.088 202 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.212 202 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.212 202 G C 1.354 176.247 174.900 -0.011 0.000 1.173 202 G CA -0.301 44.838 45.100 0.065 0.000 0.779 202 G HN 0.255 nan 8.290 nan 0.000 0.540 203 R N -0.368 120.029 120.500 -0.171 0.000 2.388 203 R HA -0.123 4.216 4.340 -0.001 0.000 0.233 203 R C 2.076 177.822 176.300 -0.923 0.000 1.156 203 R CA 0.505 56.152 56.100 -0.755 0.000 1.036 203 R CB -0.278 29.415 30.300 -1.012 0.000 0.847 203 R HN 0.442 nan 8.270 nan 0.000 0.483 204 I N 1.100 121.373 120.570 -0.495 0.000 2.454 204 I HA -0.261 3.908 4.170 -0.001 0.000 0.254 204 I C 1.577 177.545 176.117 -0.248 0.000 1.156 204 I CA 1.650 62.816 61.300 -0.224 0.000 1.433 204 I CB 0.047 38.051 38.000 0.006 0.000 1.082 204 I HN 0.119 nan 8.210 nan 0.000 0.432 205 Q N 0.028 119.638 119.800 -0.316 0.000 2.425 205 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 205 Q C 1.802 177.369 176.000 -0.723 0.000 0.933 205 Q CA 0.667 56.296 55.803 -0.290 0.000 0.939 205 Q CB -0.583 28.203 28.738 0.079 0.000 1.044 205 Q HN 0.852 nan 8.270 nan 0.000 0.513 206 W N 1.769 122.227 121.300 -1.404 0.000 2.316 206 W HA -0.261 4.399 4.660 -0.001 0.000 0.275 206 W C 0.620 176.789 176.519 -0.582 0.000 1.198 206 W CA 1.442 57.807 57.345 -1.634 0.000 1.161 206 W CB -1.096 27.615 29.460 -1.248 0.000 1.135 206 W HN 0.109 nan 8.180 nan 0.000 0.567 207 S N -0.126 114.931 115.700 -1.071 0.000 2.540 207 S HA 0.088 4.557 4.470 -0.001 0.000 0.218 207 S C 0.275 174.671 174.600 -0.339 0.000 0.977 207 S CA -0.298 57.374 58.200 -0.879 0.000 0.918 207 S CB -0.367 62.066 63.200 -1.278 0.000 0.806 207 S HN 0.140 nan 8.310 nan 0.000 0.496 208 N N 1.983 120.581 118.700 -0.170 0.000 2.707 208 N HA 0.511 5.251 4.740 -0.001 0.000 0.235 208 N C -1.564 174.033 175.510 0.145 0.000 1.028 208 N CA -0.194 52.852 53.050 -0.005 0.000 0.906 208 N CB 1.722 40.228 38.487 0.031 0.000 1.131 208 N HN 0.268 nan 8.380 nan 0.000 0.509 209 L N 1.634 122.911 121.223 0.091 0.000 2.464 209 L HA 0.340 4.679 4.340 -0.001 0.000 0.266 209 L C -0.758 176.065 176.870 -0.079 0.000 0.965 209 L CA -0.637 54.240 54.840 0.061 0.000 0.833 209 L CB 2.246 44.382 42.059 0.127 0.000 1.296 209 L HN 0.199 nan 8.230 nan 0.000 0.405 210 Q N 3.231 122.928 119.800 -0.172 0.000 2.314 210 Q HA 0.531 4.871 4.340 -0.001 0.000 0.257 210 Q C -1.641 174.032 176.000 -0.544 0.000 0.975 210 Q CA -0.163 55.376 55.803 -0.440 0.000 0.933 210 Q CB 1.244 29.568 28.738 -0.691 0.000 1.195 210 Q HN 0.511 nan 8.270 nan 0.000 0.426 211 V N 6.373 125.974 119.914 -0.522 0.000 2.328 211 V HA 0.394 4.514 4.120 -0.001 0.000 0.278 211 V C -0.589 175.202 176.094 -0.505 0.000 1.021 211 V CA -0.527 61.527 62.300 -0.410 0.000 0.838 211 V CB 0.256 31.936 31.823 -0.238 0.000 0.999 211 V HN 0.681 nan 8.190 nan 0.000 0.447 212 F N 2.695 122.483 119.950 -0.270 0.000 2.404 212 F HA 0.331 4.857 4.527 -0.001 0.000 0.358 212 F C 0.686 176.386 175.800 -0.168 0.000 1.120 212 F CA -0.394 57.477 58.000 -0.215 0.000 1.144 212 F CB 1.002 39.866 39.000 -0.227 0.000 1.133 212 F HN 0.420 nan 8.300 nan 0.000 0.495 213 D N 3.855 124.279 120.400 0.039 0.000 2.422 213 D HA 0.299 4.939 4.640 -0.001 0.000 0.227 213 D C 0.067 176.396 176.300 0.048 0.000 1.190 213 D CA 0.132 54.132 54.000 0.000 0.000 0.905 213 D CB 0.940 41.733 40.800 -0.010 0.000 1.034 213 D HN 0.589 nan 8.370 nan 0.000 0.507 214 A N 4.495 127.302 122.820 -0.022 0.000 2.713 214 A HA 0.175 4.494 4.320 -0.001 0.000 0.296 214 A C 1.498 179.041 177.584 -0.068 0.000 1.255 214 A CA -0.434 51.557 52.037 -0.076 0.000 0.955 214 A CB 0.020 18.835 19.000 -0.308 0.000 1.149 214 A HN 0.498 nan 8.150 nan 0.000 0.538 215 R N 0.248 120.734 120.500 -0.024 0.000 2.307 215 R HA -0.039 4.301 4.340 -0.001 0.000 0.199 215 R C 1.285 177.556 176.300 -0.049 0.000 1.000 215 R CA 1.235 57.331 56.100 -0.006 0.000 1.023 215 R CB 0.049 30.383 30.300 0.056 0.000 0.908 215 R HN 0.588 nan 8.270 nan 0.000 0.473 216 S N -1.039 114.634 115.700 -0.046 0.000 2.540 216 S HA 0.052 4.521 4.470 -0.001 0.000 0.218 216 S C 0.911 175.466 174.600 -0.074 0.000 0.977 216 S CA -0.709 57.471 58.200 -0.034 0.000 0.918 216 S CB -0.157 63.052 63.200 0.014 0.000 0.806 216 S HN 0.279 nan 8.310 nan 0.000 0.496 217 C N 3.160 122.354 119.300 -0.177 0.000 2.741 217 C HA 0.466 4.925 4.460 -0.001 0.000 0.403 217 C C 1.750 176.593 174.990 -0.245 0.000 1.282 217 C CA 0.722 59.593 59.018 -0.245 0.000 2.053 217 C CB 0.415 27.884 27.740 -0.452 0.000 2.731 217 C HN 0.719 nan 8.230 nan 0.000 0.680 218 S N 0.504 116.165 115.700 -0.065 0.000 2.700 218 S HA 0.230 4.699 4.470 -0.001 0.000 0.272 218 S C -0.010 174.722 174.600 0.221 0.000 1.052 218 S CA 0.391 58.677 58.200 0.143 0.000 1.317 218 S CB -0.170 63.088 63.200 0.097 0.000 1.212 218 S HN 1.197 nan 8.310 nan 0.000 0.675 219 T N -2.010 112.630 114.554 0.143 0.000 2.864 219 T HA 0.833 5.182 4.350 -0.001 0.000 0.299 219 T C 1.152 175.876 174.700 0.040 0.000 1.166 219 T CA -0.146 62.013 62.100 0.098 0.000 1.007 219 T CB 1.252 70.161 68.868 0.068 0.000 1.219 219 T HN 0.298 nan 8.240 nan 0.000 0.506 220 A N 1.325 124.151 122.820 0.009 0.000 1.865 220 A HA -0.044 4.275 4.320 -0.001 0.000 0.217 220 A C 2.330 179.763 177.584 -0.252 0.000 1.191 220 A CA 2.190 54.173 52.037 -0.089 0.000 0.623 220 A CB -1.036 18.001 19.000 0.062 0.000 0.826 220 A HN 0.919 nan 8.150 nan 0.000 0.444 221 R N 0.293 120.777 120.500 -0.026 0.000 2.103 221 R HA -0.179 4.161 4.340 -0.001 0.000 0.242 221 R C 1.908 178.211 176.300 0.005 0.000 1.142 221 R CA 2.318 58.426 56.100 0.013 0.000 0.960 221 R CB -0.670 29.761 30.300 0.219 0.000 0.858 221 R HN 0.708 nan 8.270 nan 0.000 0.439 222 E N -0.394 119.827 120.200 0.035 0.000 2.038 222 E HA -0.233 4.117 4.350 -0.001 0.000 0.195 222 E C 2.079 178.764 176.600 0.141 0.000 1.000 222 E CA 1.985 58.455 56.400 0.117 0.000 0.803 222 E CB -0.190 29.574 29.700 0.106 0.000 0.750 222 E HN 0.332 nan 8.360 nan 0.000 0.448 223 M N -0.113 119.436 119.600 -0.085 0.000 2.103 223 M HA -0.247 4.232 4.480 -0.001 0.000 0.255 223 M C 2.228 178.524 176.300 -0.007 0.000 1.074 223 M CA 1.565 56.751 55.300 -0.190 0.000 1.090 223 M CB -0.429 31.892 32.600 -0.465 0.000 1.325 223 M HN 0.161 nan 8.290 nan 0.000 0.403 224 F N 1.428 121.164 119.950 -0.357 0.000 2.069 224 F HA -0.232 4.294 4.527 -0.001 0.000 0.298 224 F C 2.205 177.932 175.800 -0.121 0.000 1.113 224 F CA 1.976 59.761 58.000 -0.359 0.000 1.214 224 F CB -0.541 38.018 39.000 -0.735 0.000 0.978 224 F HN 0.170 nan 8.300 nan 0.000 0.474 225 E N -1.143 118.943 120.200 -0.189 0.000 2.160 225 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 225 E C 1.949 178.393 176.600 -0.261 0.000 0.991 225 E CA 1.656 57.890 56.400 -0.276 0.000 0.810 225 E CB -0.466 29.167 29.700 -0.112 0.000 0.742 225 E HN 0.605 nan 8.360 nan 0.000 0.466 226 H N 0.364 119.342 119.070 -0.152 0.000 2.395 226 H HA 0.016 4.572 4.556 -0.001 0.000 0.299 226 H C 2.063 177.274 175.328 -0.196 0.000 1.070 226 H CA 1.074 57.042 56.048 -0.134 0.000 1.356 226 H CB 0.029 29.826 29.762 0.058 0.000 1.401 226 H HN 0.084 nan 8.280 nan 0.000 0.524 227 I N -0.592 119.966 120.570 -0.020 0.000 2.226 227 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 227 I C 1.976 177.953 176.117 -0.234 0.000 1.100 227 I CA 0.799 62.035 61.300 -0.107 0.000 1.374 227 I CB -0.219 37.743 38.000 -0.063 0.000 1.057 227 I HN 0.373 nan 8.210 nan 0.000 0.413 228 C N 0.256 119.333 119.300 -0.371 0.000 2.425 228 C HA -0.152 4.308 4.460 -0.001 0.000 0.277 228 C C 2.969 177.812 174.990 -0.245 0.000 1.280 228 C CA 0.840 59.641 59.018 -0.362 0.000 1.744 228 C CB -1.187 26.239 27.740 -0.525 0.000 1.989 228 C HN 0.465 nan 8.230 nan 0.000 0.491 229 R N 0.032 120.362 120.500 -0.284 0.000 2.073 229 R HA -0.174 4.166 4.340 -0.001 0.000 0.234 229 R C 2.247 178.366 176.300 -0.302 0.000 1.134 229 R CA 1.918 57.839 56.100 -0.298 0.000 0.952 229 R CB -0.669 29.372 30.300 -0.431 0.000 0.850 229 R HN 0.784 nan 8.270 nan 0.000 0.433 230 H N -0.461 118.291 119.070 -0.531 0.000 2.321 230 H HA -0.098 4.458 4.556 -0.001 0.000 0.300 230 H C 1.927 177.203 175.328 -0.087 0.000 1.087 230 H CA 1.678 57.470 56.048 -0.426 0.000 1.319 230 H CB 0.164 29.716 29.762 -0.350 0.000 1.379 230 H HN 0.077 nan 8.280 nan 0.000 0.501 231 V N 1.166 121.080 119.914 -0.000 0.000 2.332 231 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 231 V C 2.643 178.769 176.094 0.053 0.000 1.055 231 V CA 2.252 64.538 62.300 -0.023 0.000 1.038 231 V CB -0.665 31.092 31.823 -0.110 0.000 0.651 231 V HN 0.438 nan 8.190 nan 0.000 0.450 232 R N -1.035 119.485 120.500 0.033 0.000 2.075 232 R HA -0.207 4.133 4.340 -0.001 0.000 0.232 232 R C 2.407 178.775 176.300 0.114 0.000 1.126 232 R CA 1.982 58.110 56.100 0.047 0.000 0.963 232 R CB -0.453 29.854 30.300 0.012 0.000 0.858 232 R HN 0.616 nan 8.270 nan 0.000 0.435 233 Y N 0.747 121.088 120.300 0.069 0.000 2.181 233 Y HA -0.156 4.393 4.550 -0.001 0.000 0.288 233 Y C 2.266 178.254 175.900 0.147 0.000 1.146 233 Y CA 2.130 60.312 58.100 0.136 0.000 1.164 233 Y CB -0.115 38.508 38.460 0.272 0.000 0.982 233 Y HN 0.055 nan 8.280 nan 0.000 0.515 234 S N -0.685 115.242 115.700 0.378 0.000 2.371 234 S HA -0.160 4.310 4.470 -0.001 0.000 0.224 234 S C 1.879 176.557 174.600 0.130 0.000 1.029 234 S CA 1.620 59.990 58.200 0.283 0.000 0.978 234 S CB -0.568 62.862 63.200 0.384 0.000 0.833 234 S HN 0.542 nan 8.310 nan 0.000 0.466 235 T N 1.747 116.365 114.554 0.106 0.000 2.833 235 T HA -0.082 4.267 4.350 -0.001 0.000 0.269 235 T C 0.972 175.691 174.700 0.031 0.000 1.054 235 T CA 0.778 62.924 62.100 0.077 0.000 1.135 235 T CB -0.694 68.208 68.868 0.058 0.000 0.869 235 T HN 0.635 nan 8.240 nan 0.000 0.466 236 N N 0.826 119.514 118.700 -0.019 0.000 2.677 236 N HA -0.342 4.398 4.740 -0.001 0.000 0.249 236 N C 0.039 175.528 175.510 -0.035 0.000 1.073 236 N CA 0.499 53.508 53.050 -0.068 0.000 0.737 236 N CB -0.811 37.599 38.487 -0.128 0.000 0.999 236 N HN 0.439 nan 8.380 nan 0.000 0.543 237 N N -2.321 116.372 118.700 -0.012 0.000 2.829 237 N HA -0.199 4.541 4.740 -0.001 0.000 0.250 237 N C 0.689 176.195 175.510 -0.006 0.000 1.090 237 N CA 2.008 55.052 53.050 -0.010 0.000 0.781 237 N CB -1.213 37.263 38.487 -0.018 0.000 1.124 237 N HN 0.842 nan 8.380 nan 0.000 0.559 238 G N -0.628 108.179 108.800 0.011 0.000 2.391 238 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.204 238 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.204 238 G C 0.047 174.965 174.900 0.030 0.000 1.012 238 G CA 0.102 45.215 45.100 0.022 0.000 0.651 238 G HN 0.539 nan 8.290 nan 0.000 0.494 239 N N 1.412 120.112 118.700 -0.000 0.000 3.124 239 N HA 0.450 5.190 4.740 -0.001 0.000 0.284 239 N C 0.621 176.134 175.510 0.005 0.000 1.209 239 N CA -0.494 52.544 53.050 -0.020 0.000 1.149 239 N CB -0.210 38.250 38.487 -0.045 0.000 1.434 239 N HN 0.428 nan 8.380 nan 0.000 0.529 240 I N 1.840 122.454 120.570 0.075 0.000 2.880 240 I HA -0.086 4.083 4.170 -0.001 0.000 0.296 240 I C 0.601 176.868 176.117 0.250 0.000 1.220 240 I CA 0.626 62.030 61.300 0.174 0.000 1.435 240 I CB 0.339 38.515 38.000 0.293 0.000 1.339 240 I HN 0.297 nan 8.210 nan 0.000 0.583 241 R N 3.700 124.341 120.500 0.235 0.000 2.744 241 R HA 0.447 4.787 4.340 -0.001 0.000 0.279 241 R C -1.030 175.444 176.300 0.290 0.000 0.977 241 R CA -0.846 55.421 56.100 0.278 0.000 0.906 241 R CB 1.909 32.274 30.300 0.109 0.000 1.197 241 R HN 0.520 nan 8.270 nan 0.000 0.463 242 S N 1.323 117.159 115.700 0.226 0.000 2.481 242 S HA 0.512 4.982 4.470 -0.001 0.000 0.276 242 S C -0.394 174.236 174.600 0.049 0.000 1.247 242 S CA -0.496 57.727 58.200 0.038 0.000 1.053 242 S CB 1.199 64.323 63.200 -0.125 0.000 0.925 242 S HN 0.668 nan 8.310 nan 0.000 0.491 243 A N 3.231 126.060 122.820 0.015 0.000 2.556 243 A HA 0.883 5.202 4.320 -0.001 0.000 0.294 243 A C -1.082 176.372 177.584 -0.217 0.000 1.091 243 A CA -0.749 51.195 52.037 -0.154 0.000 0.704 243 A CB 1.305 20.200 19.000 -0.175 0.000 1.300 243 A HN 0.831 nan 8.150 nan 0.000 0.406 244 I N 0.945 121.347 120.570 -0.280 0.000 2.656 244 I HA 0.622 4.792 4.170 -0.001 0.000 0.292 244 I C -0.651 175.391 176.117 -0.125 0.000 1.144 244 I CA -0.225 61.004 61.300 -0.118 0.000 1.038 244 I CB 2.426 40.386 38.000 -0.067 0.000 1.244 244 I HN 0.831 nan 8.210 nan 0.000 0.420 245 T N 4.561 119.067 114.554 -0.080 0.000 2.786 245 T HA 0.614 4.963 4.350 -0.001 0.000 0.283 245 T C -0.613 173.849 174.700 -0.397 0.000 0.992 245 T CA -0.627 61.369 62.100 -0.173 0.000 0.954 245 T CB 1.264 70.008 68.868 -0.207 0.000 0.934 245 T HN 0.247 nan 8.240 nan 0.000 0.440 246 V N 5.217 124.934 119.914 -0.330 0.000 2.383 246 V HA 0.413 4.532 4.120 -0.001 0.000 0.275 246 V C -0.010 175.922 176.094 -0.269 0.000 1.036 246 V CA -0.768 61.351 62.300 -0.302 0.000 0.889 246 V CB -0.208 31.431 31.823 -0.307 0.000 0.985 246 V HN 0.865 nan 8.190 nan 0.000 0.459 247 F N 4.678 124.629 119.950 0.002 0.000 2.348 247 F HA 0.413 4.939 4.527 -0.001 0.000 0.308 247 F C -1.675 174.117 175.800 -0.013 0.000 1.175 247 F CA -2.418 55.521 58.000 -0.102 0.000 1.080 247 F CB 0.592 39.523 39.000 -0.114 0.000 1.341 247 F HN 0.305 nan 8.300 nan 0.000 0.518 248 P HA -0.058 nan 4.420 nan 0.000 0.265 248 P C -1.212 176.153 177.300 0.108 0.000 1.187 248 P CA -0.015 63.083 63.100 -0.003 0.000 0.766 248 P CB 0.289 31.848 31.700 -0.235 0.000 0.820 249 Q N 3.139 122.898 119.800 -0.069 0.000 2.368 249 Q HA 0.208 4.548 4.340 -0.001 0.000 0.237 249 Q C -0.003 175.865 176.000 -0.219 0.000 0.987 249 Q CA -0.636 54.865 55.803 -0.504 0.000 0.896 249 Q CB 0.851 28.962 28.738 -1.044 0.000 1.241 249 Q HN 0.318 nan 8.270 nan 0.000 0.485 250 R N 0.781 121.135 120.500 -0.243 0.000 2.570 250 R HA 0.007 4.346 4.340 -0.001 0.000 0.277 250 R C 0.265 176.500 176.300 -0.108 0.000 1.039 250 R CA 0.845 56.883 56.100 -0.103 0.000 1.065 250 R CB 0.523 30.762 30.300 -0.102 0.000 0.964 250 R HN 0.965 nan 8.270 nan 0.000 0.428 251 S N 1.881 117.551 115.700 -0.049 0.000 3.037 251 S HA -0.025 4.444 4.470 -0.001 0.000 0.173 251 S C 0.764 175.319 174.600 -0.075 0.000 0.681 251 S CA 0.126 58.293 58.200 -0.056 0.000 0.807 251 S CB -0.104 63.083 63.200 -0.022 0.000 0.789 251 S HN 0.799 nan 8.310 nan 0.000 0.637 252 D N 0.680 121.017 120.400 -0.106 0.000 2.342 252 D HA 0.273 4.913 4.640 -0.001 0.000 0.221 252 D C 1.362 177.599 176.300 -0.105 0.000 1.101 252 D CA 0.650 54.577 54.000 -0.122 0.000 0.837 252 D CB -0.254 40.434 40.800 -0.186 0.000 0.938 252 D HN 0.867 nan 8.370 nan 0.000 0.508 253 G N 1.166 109.921 108.800 -0.076 0.000 2.220 253 G HA2 -0.388 3.572 3.960 -0.001 0.000 0.269 253 G HA3 -0.388 3.572 3.960 -0.001 0.000 0.269 253 G C 1.079 175.957 174.900 -0.037 0.000 0.977 253 G CA 0.630 45.700 45.100 -0.050 0.000 0.634 253 G HN 0.477 nan 8.290 nan 0.000 0.539 254 K N -0.504 119.859 120.400 -0.063 0.000 2.358 254 K HA 0.196 4.516 4.320 -0.001 0.000 0.197 254 K C 0.661 177.356 176.600 0.159 0.000 1.025 254 K CA 0.047 56.328 56.287 -0.008 0.000 1.104 254 K CB 0.335 32.795 32.500 -0.067 0.000 0.855 254 K HN 0.632 nan 8.250 nan 0.000 0.531 255 H N 0.702 119.726 119.070 -0.076 0.000 2.528 255 H HA 0.142 4.698 4.556 -0.001 0.000 0.256 255 H C -0.877 174.344 175.328 -0.178 0.000 1.204 255 H CA -0.770 55.195 56.048 -0.139 0.000 0.955 255 H CB 0.535 30.240 29.762 -0.095 0.000 1.817 255 H HN -0.013 nan 8.280 nan 0.000 0.579 256 D N 0.815 121.208 120.400 -0.012 0.000 2.424 256 D HA 0.011 4.651 4.640 -0.001 0.000 0.244 256 D C -0.301 175.939 176.300 -0.101 0.000 1.134 256 D CA 0.497 54.501 54.000 0.006 0.000 0.881 256 D CB 0.547 41.369 40.800 0.036 0.000 1.191 256 D HN 0.205 nan 8.370 nan 0.000 0.445 257 F N 2.816 122.774 119.950 0.013 0.000 2.334 257 F HA 0.383 4.910 4.527 -0.001 0.000 0.367 257 F C 0.919 176.728 175.800 0.014 0.000 1.115 257 F CA -0.468 57.499 58.000 -0.055 0.000 1.116 257 F CB 0.785 39.711 39.000 -0.124 0.000 1.230 257 F HN -0.074 nan 8.300 nan 0.000 0.484 258 R N 1.753 122.355 120.500 0.169 0.000 2.725 258 R HA 0.707 5.046 4.340 -0.001 0.000 0.277 258 R C -1.551 174.900 176.300 0.252 0.000 0.987 258 R CA -1.130 55.107 56.100 0.228 0.000 0.901 258 R CB 2.696 33.133 30.300 0.228 0.000 1.207 258 R HN 0.264 nan 8.270 nan 0.000 0.463 259 V N 1.811 121.881 119.914 0.260 0.000 2.439 259 V HA 0.148 4.267 4.120 -0.001 0.000 0.282 259 V C -0.053 176.274 176.094 0.388 0.000 1.039 259 V CA -0.360 62.082 62.300 0.236 0.000 0.913 259 V CB 1.295 33.214 31.823 0.160 0.000 0.983 259 V HN 0.807 nan 8.190 nan 0.000 0.460 260 W N 1.765 123.084 121.300 0.032 0.000 2.640 260 W HA 0.108 4.767 4.660 -0.001 0.000 0.268 260 W C 0.958 177.565 176.519 0.148 0.000 1.263 260 W CA -0.560 56.842 57.345 0.096 0.000 1.344 260 W CB -0.672 28.887 29.460 0.166 0.000 1.093 260 W HN 0.556 nan 8.180 nan 0.000 0.603 261 N N 0.248 119.122 118.700 0.291 0.000 2.453 261 N HA 0.249 4.988 4.740 -0.001 0.000 0.253 261 N C 1.125 176.700 175.510 0.108 0.000 1.252 261 N CA 0.722 53.874 53.050 0.170 0.000 0.917 261 N CB 0.536 39.049 38.487 0.044 0.000 1.117 261 N HN -0.063 nan 8.380 nan 0.000 0.442 262 A N 0.919 123.794 122.820 0.093 0.000 1.968 262 A HA -0.078 4.241 4.320 -0.001 0.000 0.217 262 A C 0.341 177.915 177.584 -0.017 0.000 1.169 262 A CA 1.244 53.312 52.037 0.051 0.000 0.638 262 A CB -0.120 18.932 19.000 0.087 0.000 0.812 262 A HN 0.735 nan 8.150 nan 0.000 0.446 263 Q N -1.722 118.053 119.800 -0.041 0.000 2.421 263 Q HA 0.532 4.871 4.340 -0.001 0.000 0.280 263 Q C 0.101 176.007 176.000 -0.157 0.000 1.085 263 Q CA -0.636 55.101 55.803 -0.110 0.000 0.807 263 Q CB 1.814 30.508 28.738 -0.074 0.000 1.405 263 Q HN 0.212 nan 8.270 nan 0.000 0.419 264 L N 0.503 121.607 121.223 -0.199 0.000 2.083 264 L HA 0.012 4.351 4.340 -0.001 0.000 0.209 264 L C 0.568 177.277 176.870 -0.268 0.000 1.083 264 L CA 1.324 56.042 54.840 -0.203 0.000 0.752 264 L CB 0.001 41.919 42.059 -0.234 0.000 0.899 264 L HN 0.496 nan 8.230 nan 0.000 0.433 265 I N -0.483 119.845 120.570 -0.403 0.000 2.418 265 I HA 0.401 4.570 4.170 -0.001 0.000 0.287 265 I C -0.349 175.126 176.117 -1.071 0.000 1.008 265 I CA -0.540 60.352 61.300 -0.680 0.000 1.104 265 I CB 1.833 39.401 38.000 -0.720 0.000 1.264 265 I HN 0.001 nan 8.210 nan 0.000 0.438 266 R N 4.600 124.575 120.500 -0.876 0.000 2.690 266 R HA 0.472 4.812 4.340 -0.001 0.000 0.269 266 R C -2.001 174.015 176.300 -0.474 0.000 1.037 266 R CA -0.727 54.970 56.100 -0.672 0.000 0.877 266 R CB 1.205 31.359 30.300 -0.243 0.000 1.255 266 R HN 0.273 nan 8.270 nan 0.000 0.467 267 Y N 0.983 121.271 120.300 -0.020 0.000 2.335 267 Y HA 0.654 5.203 4.550 -0.001 0.000 0.323 267 Y C 0.888 176.785 175.900 -0.004 0.000 1.224 267 Y CA -0.191 57.937 58.100 0.046 0.000 1.241 267 Y CB 1.385 39.971 38.460 0.209 0.000 1.235 267 Y HN 0.753 nan 8.280 nan 0.000 0.492 268 A N 1.078 123.985 122.820 0.145 0.000 2.386 268 A HA 0.608 4.927 4.320 -0.001 0.000 0.246 268 A C 0.447 177.911 177.584 -0.199 0.000 1.089 268 A CA 0.275 52.229 52.037 -0.138 0.000 0.790 268 A CB -0.289 18.560 19.000 -0.252 0.000 1.042 268 A HN 0.941 nan 8.150 nan 0.000 0.497 269 G N -0.254 108.319 108.800 -0.378 0.000 2.737 269 G HA2 0.551 4.511 3.960 -0.001 0.000 0.290 269 G HA3 0.551 4.511 3.960 -0.001 0.000 0.290 269 G C -1.252 173.468 174.900 -0.300 0.000 1.482 269 G CA -0.261 44.702 45.100 -0.229 0.000 1.017 269 G HN 0.502 nan 8.290 nan 0.000 0.529 270 Y N 0.636 120.991 120.300 0.091 0.000 2.360 270 Y HA 0.482 5.032 4.550 -0.001 0.000 0.337 270 Y C 0.526 176.488 175.900 0.104 0.000 1.039 270 Y CA -0.903 57.278 58.100 0.134 0.000 1.109 270 Y CB 2.364 40.975 38.460 0.252 0.000 1.201 270 Y HN 0.482 nan 8.280 nan 0.000 0.458 271 Q N 3.413 123.367 119.800 0.257 0.000 2.377 271 Q HA 0.300 4.640 4.340 -0.001 0.000 0.249 271 Q C -0.983 175.102 176.000 0.141 0.000 1.005 271 Q CA -0.396 55.495 55.803 0.148 0.000 0.912 271 Q CB 0.388 29.186 28.738 0.101 0.000 1.223 271 Q HN 0.498 nan 8.270 nan 0.000 0.459 272 M N 4.925 124.578 119.600 0.087 0.000 2.202 272 M HA 0.231 4.711 4.480 -0.001 0.000 0.316 272 M C -1.505 174.793 176.300 -0.003 0.000 1.138 272 M CA -2.517 52.791 55.300 0.015 0.000 1.151 272 M CB -0.442 32.151 32.600 -0.012 0.000 1.422 272 M HN 0.423 nan 8.290 nan 0.000 0.471 273 P HA -0.125 nan 4.420 nan 0.000 0.222 273 P C 0.465 177.752 177.300 -0.021 0.000 1.147 273 P CA 1.165 64.245 63.100 -0.033 0.000 0.790 273 P CB 0.042 31.707 31.700 -0.058 0.000 0.780 274 D N -2.400 117.988 120.400 -0.020 0.000 2.340 274 D HA 0.086 4.726 4.640 -0.001 0.000 0.217 274 D C 1.385 177.685 176.300 -0.001 0.000 1.081 274 D CA 0.598 54.591 54.000 -0.012 0.000 0.842 274 D CB -0.084 40.706 40.800 -0.016 0.000 0.934 274 D HN 0.199 nan 8.370 nan 0.000 0.511 275 G N 1.260 110.063 108.800 0.006 0.000 2.399 275 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.216 275 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.216 275 G C 0.499 175.412 174.900 0.021 0.000 1.096 275 G CA 0.268 45.376 45.100 0.015 0.000 0.650 275 G HN 0.777 nan 8.290 nan 0.000 0.512 276 S N 2.067 117.777 115.700 0.016 0.000 2.558 276 S HA 0.463 4.933 4.470 -0.001 0.000 0.287 276 S C 0.489 175.110 174.600 0.035 0.000 1.321 276 S CA 0.073 58.285 58.200 0.021 0.000 1.048 276 S CB 0.964 64.173 63.200 0.014 0.000 0.844 276 S HN 0.694 nan 8.310 nan 0.000 0.512 277 I N 1.489 122.078 120.570 0.033 0.000 2.488 277 I HA 0.491 4.661 4.170 -0.001 0.000 0.299 277 I C 0.472 176.621 176.117 0.052 0.000 0.984 277 I CA -0.579 60.748 61.300 0.046 0.000 1.250 277 I CB 1.382 39.390 38.000 0.014 0.000 1.389 277 I HN 0.767 nan 8.210 nan 0.000 0.488 278 R N 2.399 122.969 120.500 0.117 0.000 2.437 278 R HA 0.654 4.993 4.340 -0.001 0.000 0.310 278 R C 0.167 176.545 176.300 0.131 0.000 0.955 278 R CA 0.542 56.729 56.100 0.145 0.000 0.851 278 R CB 1.217 31.671 30.300 0.257 0.000 1.161 278 R HN 0.941 nan 8.270 nan 0.000 0.446 279 G N 2.860 111.665 108.800 0.007 0.000 2.496 279 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.243 279 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.243 279 G C -1.136 173.539 174.900 -0.375 0.000 1.176 279 G CA 0.052 45.110 45.100 -0.069 0.000 0.940 279 G HN 0.644 nan 8.290 nan 0.000 0.573 280 D N 2.808 123.108 120.400 -0.167 0.000 2.411 280 D HA 0.435 5.074 4.640 -0.001 0.000 0.225 280 D C -0.376 175.868 176.300 -0.095 0.000 1.156 280 D CA -1.447 52.441 54.000 -0.186 0.000 0.874 280 D CB 1.248 42.208 40.800 0.266 0.000 1.034 280 D HN 0.107 nan 8.370 nan 0.000 0.502 281 P HA -0.145 nan 4.420 nan 0.000 0.223 281 P C 0.891 178.192 177.300 0.001 0.000 1.144 281 P CA 0.545 63.614 63.100 -0.051 0.000 0.783 281 P CB 0.289 31.959 31.700 -0.051 0.000 0.771 282 A N -0.104 122.737 122.820 0.035 0.000 2.119 282 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 282 A C 1.648 179.274 177.584 0.070 0.000 1.152 282 A CA 0.791 52.873 52.037 0.074 0.000 0.708 282 A CB -0.659 18.415 19.000 0.124 0.000 0.805 282 A HN 0.162 nan 8.150 nan 0.000 0.460 283 N N -0.102 118.621 118.700 0.038 0.000 2.328 283 N HA 0.154 4.894 4.740 -0.001 0.000 0.247 283 N C 0.983 176.452 175.510 -0.068 0.000 1.165 283 N CA 0.167 53.217 53.050 0.001 0.000 0.873 283 N CB 0.965 39.454 38.487 0.003 0.000 1.125 283 N HN 0.198 nan 8.380 nan 0.000 0.513 284 V N 1.039 120.921 119.914 -0.053 0.000 2.261 284 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 284 V C 2.233 178.259 176.094 -0.113 0.000 1.047 284 V CA 1.638 63.894 62.300 -0.072 0.000 1.015 284 V CB -0.295 31.512 31.823 -0.028 0.000 0.642 284 V HN 0.320 nan 8.190 nan 0.000 0.446 285 E N -0.393 119.729 120.200 -0.130 0.000 2.070 285 E HA -0.284 4.066 4.350 -0.001 0.000 0.197 285 E C 2.145 178.477 176.600 -0.446 0.000 1.004 285 E CA 1.909 58.152 56.400 -0.262 0.000 0.805 285 E CB -0.284 29.262 29.700 -0.257 0.000 0.744 285 E HN 0.548 nan 8.360 nan 0.000 0.451 286 I N 0.803 121.110 120.570 -0.438 0.000 2.315 286 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 286 I C 2.108 178.078 176.117 -0.244 0.000 1.117 286 I CA 1.556 62.601 61.300 -0.424 0.000 1.404 286 I CB -0.225 37.647 38.000 -0.214 0.000 1.071 286 I HN -0.027 nan 8.210 nan 0.000 0.419 287 T N -0.028 114.408 114.554 -0.198 0.000 2.788 287 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 287 T C 1.772 176.439 174.700 -0.055 0.000 1.044 287 T CA 1.678 63.682 62.100 -0.161 0.000 1.139 287 T CB -0.237 68.490 68.868 -0.235 0.000 0.867 287 T HN 0.369 nan 8.240 nan 0.000 0.454 288 Q N 0.720 120.472 119.800 -0.080 0.000 2.079 288 Q HA 0.004 4.343 4.340 -0.001 0.000 0.200 288 Q C 2.094 178.074 176.000 -0.034 0.000 0.974 288 Q CA 1.156 56.942 55.803 -0.028 0.000 0.840 288 Q CB -0.729 27.978 28.738 -0.053 0.000 0.898 288 Q HN 0.414 nan 8.270 nan 0.000 0.430 289 L N -0.450 120.710 121.223 -0.104 0.000 2.079 289 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 289 L C 2.149 179.025 176.870 0.010 0.000 1.081 289 L CA 1.731 56.539 54.840 -0.053 0.000 0.752 289 L CB -0.646 41.375 42.059 -0.063 0.000 0.896 289 L HN 0.388 nan 8.230 nan 0.000 0.433 290 C N -0.775 118.528 119.300 0.006 0.000 2.446 290 C HA -0.114 4.345 4.460 -0.001 0.000 0.277 290 C C 2.665 177.781 174.990 0.211 0.000 1.275 290 C CA 0.687 59.740 59.018 0.059 0.000 1.727 290 C CB -0.850 26.837 27.740 -0.088 0.000 2.010 290 C HN 0.551 nan 8.230 nan 0.000 0.486 291 I N 1.179 121.883 120.570 0.223 0.000 2.226 291 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 291 I C 2.039 178.202 176.117 0.077 0.000 1.100 291 I CA 1.540 62.948 61.300 0.181 0.000 1.374 291 I CB -0.615 37.473 38.000 0.147 0.000 1.057 291 I HN 0.374 nan 8.210 nan 0.000 0.413 292 D N 0.785 121.206 120.400 0.035 0.000 2.219 292 D HA -0.100 4.539 4.640 -0.001 0.000 0.205 292 D C 2.022 178.309 176.300 -0.022 0.000 0.970 292 D CA 1.123 55.113 54.000 -0.016 0.000 0.851 292 D CB -0.030 40.733 40.800 -0.061 0.000 0.943 292 D HN 0.336 nan 8.370 nan 0.000 0.488 293 L N -0.425 120.806 121.223 0.013 0.000 2.612 293 L HA 0.159 4.498 4.340 -0.001 0.000 0.230 293 L C 1.287 178.174 176.870 0.028 0.000 1.140 293 L CA 0.281 55.130 54.840 0.016 0.000 0.896 293 L CB 0.207 42.287 42.059 0.034 0.000 1.065 293 L HN 0.150 nan 8.230 nan 0.000 0.447 294 G N -1.542 107.284 108.800 0.043 0.000 2.179 294 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.220 294 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.220 294 G C -0.199 174.749 174.900 0.079 0.000 0.990 294 G CA -0.342 44.778 45.100 0.033 0.000 0.646 294 G HN 0.255 nan 8.290 nan 0.000 0.517 295 W N 2.467 123.731 121.300 -0.060 0.000 2.238 295 W HA 0.627 5.287 4.660 -0.001 0.000 0.321 295 W C 0.592 177.082 176.519 -0.048 0.000 1.293 295 W CA -0.801 56.510 57.345 -0.057 0.000 1.204 295 W CB 0.684 30.114 29.460 -0.051 0.000 1.167 295 W HN 0.131 nan 8.180 nan 0.000 0.553 296 K N 8.708 128.635 120.400 -0.788 0.000 2.316 296 K HA 0.238 4.558 4.320 -0.001 0.000 0.289 296 K C -2.108 173.755 176.600 -1.228 0.000 1.070 296 K CA -1.543 54.294 56.287 -0.750 0.000 0.928 296 K CB 0.586 32.796 32.500 -0.484 0.000 1.039 296 K HN 0.210 nan 8.250 nan 0.000 0.480 297 P HA 0.094 nan 4.420 nan 0.000 0.276 297 P C -0.889 175.862 177.300 -0.916 0.000 1.230 297 P CA -0.155 62.380 63.100 -0.941 0.000 0.776 297 P CB 1.195 32.420 31.700 -0.793 0.000 0.888 298 K N 1.343 121.276 120.400 -0.778 0.000 2.373 298 K HA 0.091 4.411 4.320 -0.001 0.000 0.200 298 K C -0.344 175.995 176.600 -0.436 0.000 1.054 298 K CA -0.187 55.830 56.287 -0.451 0.000 1.065 298 K CB -0.084 32.310 32.500 -0.177 0.000 0.886 298 K HN 0.291 nan 8.250 nan 0.000 0.546 299 Y N 0.054 119.838 120.300 -0.859 0.000 3.305 299 Y HA -0.245 4.304 4.550 -0.001 0.000 0.212 299 Y C 0.603 176.311 175.900 -0.321 0.000 1.248 299 Y CA 0.609 58.146 58.100 -0.939 0.000 1.359 299 Y CB -2.254 35.878 38.460 -0.547 0.000 1.407 299 Y HN 0.146 nan 8.280 nan 0.000 0.572 300 G N -0.328 108.481 108.800 0.015 0.000 2.462 300 G HA2 0.484 4.444 3.960 -0.001 0.000 0.319 300 G HA3 0.484 4.444 3.960 -0.001 0.000 0.319 300 G C 0.644 175.642 174.900 0.163 0.000 1.171 300 G CA -0.550 44.624 45.100 0.124 0.000 0.920 300 G HN 0.332 nan 8.290 nan 0.000 0.499 301 R N -0.456 120.053 120.500 0.014 0.000 2.119 301 R HA 0.096 4.435 4.340 -0.001 0.000 0.222 301 R C -0.048 175.884 176.300 -0.614 0.000 1.088 301 R CA 0.820 56.775 56.100 -0.242 0.000 0.984 301 R CB -0.059 30.041 30.300 -0.334 0.000 0.884 301 R HN 0.393 nan 8.270 nan 0.000 0.447 302 F N 1.111 121.023 119.950 -0.063 0.000 2.564 302 F HA 0.293 4.820 4.527 -0.001 0.000 0.329 302 F C -1.108 174.620 175.800 -0.121 0.000 1.458 302 F CA -1.178 56.489 58.000 -0.554 0.000 1.117 302 F CB 0.880 39.419 39.000 -0.768 0.000 1.383 302 F HN -0.253 nan 8.300 nan 0.000 0.571 303 D N 1.425 122.007 120.400 0.304 0.000 2.274 303 D HA 0.241 4.880 4.640 -0.001 0.000 0.239 303 D C 0.025 176.614 176.300 0.482 0.000 1.104 303 D CA -0.099 54.159 54.000 0.430 0.000 0.840 303 D CB 2.550 43.660 40.800 0.517 0.000 1.100 303 D HN -0.037 nan 8.370 nan 0.000 0.477 304 V N 4.119 124.260 119.914 0.378 0.000 2.421 304 V HA 0.025 4.144 4.120 -0.001 0.000 0.271 304 V C 0.950 177.017 176.094 -0.046 0.000 1.031 304 V CA -0.368 62.014 62.300 0.136 0.000 1.032 304 V CB -0.167 31.696 31.823 0.067 0.000 1.009 304 V HN 0.347 nan 8.190 nan 0.000 0.477 305 L N 8.875 129.970 121.223 -0.214 0.000 2.483 305 L HA 0.214 4.554 4.340 -0.001 0.000 0.276 305 L C -1.511 175.084 176.870 -0.458 0.000 1.213 305 L CA -1.043 53.492 54.840 -0.508 0.000 0.843 305 L CB 0.387 42.206 42.059 -0.400 0.000 1.107 305 L HN 0.456 nan 8.230 nan 0.000 0.487 306 P HA 0.178 nan 4.420 nan 0.000 0.276 306 P C -0.938 176.220 177.300 -0.237 0.000 1.252 306 P CA -0.556 62.309 63.100 -0.390 0.000 0.802 306 P CB 0.887 32.272 31.700 -0.524 0.000 1.035 307 L N 0.828 121.998 121.223 -0.087 0.000 2.331 307 L HA 0.227 4.567 4.340 -0.001 0.000 0.278 307 L C 0.288 177.141 176.870 -0.027 0.000 1.106 307 L CA -0.746 54.080 54.840 -0.024 0.000 0.824 307 L CB 0.890 42.990 42.059 0.069 0.000 1.142 307 L HN 0.093 nan 8.230 nan 0.000 0.443 308 V N 5.777 125.666 119.914 -0.041 0.000 2.259 308 V HA 0.289 4.409 4.120 -0.001 0.000 0.267 308 V C 0.316 176.275 176.094 -0.224 0.000 1.051 308 V CA -0.290 61.930 62.300 -0.133 0.000 0.830 308 V CB 0.684 32.456 31.823 -0.085 0.000 1.080 308 V HN 0.509 nan 8.190 nan 0.000 0.467 309 L N 3.725 124.837 121.223 -0.185 0.000 2.379 309 L HA 0.597 4.937 4.340 -0.001 0.000 0.269 309 L C 0.146 176.817 176.870 -0.332 0.000 1.084 309 L CA -0.196 54.522 54.840 -0.205 0.000 0.802 309 L CB 1.216 43.175 42.059 -0.167 0.000 1.175 309 L HN 0.552 nan 8.230 nan 0.000 0.448 310 Q N 2.315 121.961 119.800 -0.257 0.000 2.337 310 Q HA 0.602 4.942 4.340 -0.001 0.000 0.260 310 Q C -1.612 174.250 176.000 -0.229 0.000 0.982 310 Q CA -0.586 55.057 55.803 -0.265 0.000 0.734 310 Q CB 1.974 30.623 28.738 -0.149 0.000 1.272 310 Q HN 0.765 nan 8.270 nan 0.000 0.461 311 A N 3.950 126.591 122.820 -0.299 0.000 2.304 311 A HA 0.397 4.717 4.320 -0.001 0.000 0.323 311 A C 0.274 177.342 177.584 -0.860 0.000 1.195 311 A CA -0.272 51.444 52.037 -0.535 0.000 0.826 311 A CB 0.516 19.439 19.000 -0.128 0.000 1.184 311 A HN 1.109 nan 8.150 nan 0.000 0.496 312 N N 0.885 118.546 118.700 -1.732 0.000 2.721 312 N HA -0.258 4.482 4.740 -0.001 0.000 0.249 312 N C 1.023 176.209 175.510 -0.540 0.000 1.072 312 N CA 1.118 53.550 53.050 -1.030 0.000 0.710 312 N CB -0.621 37.449 38.487 -0.696 0.000 0.993 312 N HN 2.052 nan 8.380 nan 0.000 0.547 313 G N -0.614 107.953 108.800 -0.389 0.000 2.189 313 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.267 313 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.267 313 G C 0.354 175.199 174.900 -0.092 0.000 0.975 313 G CA 0.925 45.944 45.100 -0.135 0.000 0.644 313 G HN 0.584 nan 8.290 nan 0.000 0.537 314 R N 0.680 121.065 120.500 -0.193 0.000 2.801 314 R HA 0.292 4.632 4.340 -0.001 0.000 0.273 314 R C 0.166 176.385 176.300 -0.135 0.000 1.080 314 R CA -0.215 55.805 56.100 -0.133 0.000 1.197 314 R CB 0.278 30.482 30.300 -0.160 0.000 1.109 314 R HN 0.276 nan 8.270 nan 0.000 0.535 315 D N 2.313 122.654 120.400 -0.098 0.000 2.400 315 D HA 0.048 4.687 4.640 -0.001 0.000 0.238 315 D C -1.934 174.155 176.300 -0.351 0.000 1.157 315 D CA -0.549 53.326 54.000 -0.208 0.000 0.889 315 D CB 0.426 41.239 40.800 0.022 0.000 1.199 315 D HN 0.267 nan 8.370 nan 0.000 0.436 316 P HA 0.160 nan 4.420 nan 0.000 0.275 316 P C -0.703 176.422 177.300 -0.291 0.000 1.228 316 P CA -0.136 62.582 63.100 -0.637 0.000 0.786 316 P CB 1.341 32.257 31.700 -1.307 0.000 0.927 317 E N 1.308 121.405 120.200 -0.171 0.000 2.227 317 E HA 0.449 4.799 4.350 -0.001 0.000 0.268 317 E C -0.493 176.079 176.600 -0.046 0.000 0.907 317 E CA -1.040 55.313 56.400 -0.078 0.000 0.786 317 E CB 1.713 31.418 29.700 0.008 0.000 1.191 317 E HN 0.395 nan 8.360 nan 0.000 0.411 318 L N 2.642 123.756 121.223 -0.182 0.000 2.312 318 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 318 L C -0.768 175.843 176.870 -0.431 0.000 1.070 318 L CA -0.228 54.504 54.840 -0.179 0.000 0.805 318 L CB 0.292 42.263 42.059 -0.147 0.000 1.174 318 L HN 0.425 nan 8.230 nan 0.000 0.434 319 F N 0.704 120.474 119.950 -0.300 0.000 2.569 319 F HA 0.349 4.875 4.527 -0.001 0.000 0.312 319 F C -0.056 175.534 175.800 -0.350 0.000 1.109 319 F CA -0.762 56.923 58.000 -0.526 0.000 0.919 319 F CB 2.029 40.450 39.000 -0.965 0.000 1.211 319 F HN 0.391 nan 8.300 nan 0.000 0.446 320 E N 3.954 124.076 120.200 -0.130 0.000 2.134 320 E HA 0.412 4.761 4.350 -0.001 0.000 0.278 320 E C -0.549 176.182 176.600 0.219 0.000 0.959 320 E CA -0.638 55.785 56.400 0.037 0.000 0.783 320 E CB 1.962 31.703 29.700 0.068 0.000 1.095 320 E HN 0.459 nan 8.360 nan 0.000 0.399 321 I N 4.529 125.255 120.570 0.260 0.000 2.710 321 I HA -0.005 4.165 4.170 -0.001 0.000 0.286 321 I C -1.983 174.250 176.117 0.192 0.000 1.181 321 I CA -1.527 59.946 61.300 0.288 0.000 1.430 321 I CB -0.051 38.015 38.000 0.110 0.000 1.367 321 I HN 0.203 nan 8.210 nan 0.000 0.577 322 P HA 0.083 nan 4.420 nan 0.000 0.267 322 P C -2.017 175.329 177.300 0.078 0.000 1.209 322 P CA -0.921 62.253 63.100 0.124 0.000 0.763 322 P CB 0.275 32.035 31.700 0.101 0.000 0.816 323 P HA -0.253 nan 4.420 nan 0.000 0.217 323 P C 0.959 178.289 177.300 0.049 0.000 1.151 323 P CA 1.561 64.701 63.100 0.067 0.000 0.849 323 P CB -0.172 31.572 31.700 0.073 0.000 0.787 324 D N -1.306 119.119 120.400 0.042 0.000 2.310 324 D HA -0.104 4.536 4.640 -0.001 0.000 0.212 324 D C 1.630 177.942 176.300 0.021 0.000 0.965 324 D CA 0.794 54.812 54.000 0.030 0.000 0.879 324 D CB -0.637 40.179 40.800 0.026 0.000 0.921 324 D HN 0.168 nan 8.370 nan 0.000 0.510 325 L N 0.621 121.855 121.223 0.019 0.000 2.341 325 L HA 0.050 4.390 4.340 -0.001 0.000 0.214 325 L C 0.738 177.611 176.870 0.005 0.000 1.115 325 L CA 0.473 55.315 54.840 0.004 0.000 0.820 325 L CB 0.319 42.369 42.059 -0.015 0.000 0.944 325 L HN -0.163 nan 8.230 nan 0.000 0.452 326 V N 1.754 121.675 119.914 0.013 0.000 2.299 326 V HA 0.152 4.272 4.120 -0.001 0.000 0.255 326 V C -0.016 176.099 176.094 0.036 0.000 1.100 326 V CA -0.696 61.612 62.300 0.012 0.000 0.938 326 V CB 0.705 32.530 31.823 0.004 0.000 1.139 326 V HN 0.007 nan 8.190 nan 0.000 0.490 327 L N 5.798 127.046 121.223 0.041 0.000 2.367 327 L HA 0.456 4.795 4.340 -0.001 0.000 0.275 327 L C 0.188 177.088 176.870 0.051 0.000 1.129 327 L CA 0.709 55.571 54.840 0.036 0.000 0.839 327 L CB 0.503 42.579 42.059 0.029 0.000 1.133 327 L HN 0.648 nan 8.230 nan 0.000 0.453 328 E N 3.206 123.417 120.200 0.018 0.000 2.339 328 E HA 0.695 5.045 4.350 -0.001 0.000 0.262 328 E C -1.482 175.055 176.600 -0.106 0.000 0.934 328 E CA -1.084 55.320 56.400 0.006 0.000 0.802 328 E CB 2.403 32.136 29.700 0.055 0.000 1.275 328 E HN 0.377 nan 8.360 nan 0.000 0.427 329 V N 0.974 120.792 119.914 -0.159 0.000 2.638 329 V HA 0.537 4.657 4.120 -0.001 0.000 0.306 329 V C -0.697 175.329 176.094 -0.113 0.000 1.052 329 V CA -0.846 61.300 62.300 -0.258 0.000 0.885 329 V CB 1.661 33.072 31.823 -0.687 0.000 0.999 329 V HN 0.789 nan 8.190 nan 0.000 0.424 330 A N 5.363 128.133 122.820 -0.083 0.000 2.320 330 A HA 0.771 5.090 4.320 -0.001 0.000 0.287 330 A C -0.243 177.360 177.584 0.032 0.000 1.181 330 A CA -0.455 51.564 52.037 -0.029 0.000 0.831 330 A CB 0.401 19.386 19.000 -0.024 0.000 1.102 330 A HN 0.732 nan 8.150 nan 0.000 0.513 331 M N 2.293 121.948 119.600 0.092 0.000 2.200 331 M HA 0.308 4.787 4.480 -0.001 0.000 0.355 331 M C -0.040 176.434 176.300 0.289 0.000 1.283 331 M CA 0.725 56.158 55.300 0.221 0.000 1.124 331 M CB -0.133 32.651 32.600 0.307 0.000 1.625 331 M HN 0.730 nan 8.290 nan 0.000 0.463 332 E N 1.046 121.421 120.200 0.292 0.000 2.321 332 E HA 0.243 4.593 4.350 -0.001 0.000 0.278 332 E C -1.425 175.237 176.600 0.104 0.000 0.902 332 E CA -0.781 55.782 56.400 0.272 0.000 0.758 332 E CB 1.659 31.489 29.700 0.216 0.000 1.213 332 E HN 0.479 nan 8.360 nan 0.000 0.426 333 H N 3.981 122.925 119.070 -0.209 0.000 2.489 333 H HA 0.210 4.766 4.556 -0.001 0.000 0.322 333 H C -1.720 173.296 175.328 -0.519 0.000 1.091 333 H CA -2.392 53.334 56.048 -0.535 0.000 1.291 333 H CB 1.362 30.674 29.762 -0.750 0.000 1.436 333 H HN 0.342 nan 8.280 nan 0.000 0.480 334 P HA -0.064 nan 4.420 nan 0.000 0.231 334 P C 0.390 177.527 177.300 -0.271 0.000 1.158 334 P CA 1.058 63.879 63.100 -0.466 0.000 0.763 334 P CB 0.821 32.173 31.700 -0.581 0.000 0.805 335 K N -1.407 118.756 120.400 -0.395 0.000 2.412 335 K HA 0.122 4.442 4.320 -0.001 0.000 0.201 335 K C 0.674 177.139 176.600 -0.224 0.000 1.275 335 K CA 0.115 56.165 56.287 -0.395 0.000 0.910 335 K CB 0.290 32.430 32.500 -0.599 0.000 1.346 335 K HN 0.165 nan 8.250 nan 0.000 0.490 336 Y N 3.073 122.963 120.300 -0.684 0.000 2.613 336 Y HA 0.002 4.551 4.550 -0.001 0.000 0.354 336 Y C 0.716 176.221 175.900 -0.658 0.000 1.063 336 Y CA -0.986 56.683 58.100 -0.719 0.000 1.384 336 Y CB 0.383 38.124 38.460 -1.198 0.000 1.199 336 Y HN 0.190 nan 8.280 nan 0.000 0.517 337 E N 2.186 122.304 120.200 -0.137 0.000 2.219 337 E HA -0.256 4.093 4.350 -0.001 0.000 0.198 337 E C 1.463 178.061 176.600 -0.003 0.000 0.998 337 E CA 1.518 57.899 56.400 -0.032 0.000 0.818 337 E CB -0.385 29.358 29.700 0.071 0.000 0.741 337 E HN 0.840 nan 8.360 nan 0.000 0.477 338 W N -0.574 120.814 121.300 0.147 0.000 2.770 338 W HA 0.193 4.853 4.660 -0.001 0.000 0.256 338 W C 1.159 177.770 176.519 0.154 0.000 1.291 338 W CA -0.386 57.028 57.345 0.114 0.000 1.396 338 W CB -0.946 28.551 29.460 0.061 0.000 1.114 338 W HN -0.058 nan 8.180 nan 0.000 0.637 339 F N 3.810 123.441 119.950 -0.532 0.000 2.120 339 F HA -0.255 4.271 4.527 -0.001 0.000 0.300 339 F C 2.866 178.647 175.800 -0.033 0.000 1.095 339 F CA 3.056 60.865 58.000 -0.318 0.000 1.249 339 F CB -0.309 38.450 39.000 -0.401 0.000 0.995 339 F HN -0.125 nan 8.300 nan 0.000 0.480 340 R N 0.193 120.732 120.500 0.065 0.000 2.237 340 R HA -0.125 4.215 4.340 -0.001 0.000 0.219 340 R C 1.602 177.904 176.300 0.004 0.000 1.080 340 R CA 1.638 57.758 56.100 0.034 0.000 0.995 340 R CB -0.981 29.357 30.300 0.064 0.000 0.875 340 R HN 0.360 nan 8.270 nan 0.000 0.462 341 E N 1.187 121.412 120.200 0.043 0.000 2.274 341 E HA -0.053 4.296 4.350 -0.001 0.000 0.194 341 E C 1.881 178.485 176.600 0.008 0.000 0.996 341 E CA 0.605 57.037 56.400 0.053 0.000 0.840 341 E CB -0.023 29.744 29.700 0.111 0.000 0.772 341 E HN 0.396 nan 8.360 nan 0.000 0.491 342 L N 0.750 121.930 121.223 -0.072 0.000 2.201 342 L HA -0.110 4.230 4.340 -0.001 0.000 0.212 342 L C 0.260 177.075 176.870 -0.093 0.000 1.105 342 L CA 0.680 55.439 54.840 -0.134 0.000 0.775 342 L CB -0.343 41.487 42.059 -0.382 0.000 0.913 342 L HN 0.108 nan 8.230 nan 0.000 0.440 343 E N 0.826 120.973 120.200 -0.089 0.000 2.252 343 E HA -0.199 4.151 4.350 -0.001 0.000 0.199 343 E C -0.720 175.861 176.600 -0.031 0.000 1.352 343 E CA 0.009 56.391 56.400 -0.029 0.000 0.682 343 E CB -1.489 28.235 29.700 0.040 0.000 1.142 343 E HN 0.397 nan 8.360 nan 0.000 0.367 344 L N 0.574 121.707 121.223 -0.151 0.000 2.313 344 L HA 0.716 5.055 4.340 -0.001 0.000 0.268 344 L C 0.484 177.202 176.870 -0.253 0.000 1.010 344 L CA -0.748 53.947 54.840 -0.242 0.000 0.814 344 L CB 1.530 43.326 42.059 -0.438 0.000 1.304 344 L HN 0.230 nan 8.230 nan 0.000 0.441 345 K N -0.789 119.382 120.400 -0.380 0.000 2.580 345 K HA 0.538 4.857 4.320 -0.001 0.000 0.288 345 K C -2.009 174.684 176.600 0.154 0.000 1.041 345 K CA -1.095 55.102 56.287 -0.151 0.000 0.855 345 K CB 2.019 34.343 32.500 -0.294 0.000 1.543 345 K HN 0.598 nan 8.250 nan 0.000 0.388 346 W N 1.161 122.420 121.300 -0.068 0.000 3.319 346 W HA 0.252 4.912 4.660 -0.001 0.000 0.300 346 W C -1.405 175.116 176.519 0.003 0.000 1.244 346 W CA -0.740 56.598 57.345 -0.012 0.000 1.193 346 W CB 1.222 30.560 29.460 -0.202 0.000 1.359 346 W HN 0.669 nan 8.180 nan 0.000 0.568 347 Y N 1.195 121.366 120.300 -0.213 0.000 2.357 347 Y HA 0.500 5.050 4.550 -0.001 0.000 0.340 347 Y C 0.812 176.894 175.900 0.303 0.000 1.260 347 Y CA 0.300 58.376 58.100 -0.040 0.000 1.425 347 Y CB 0.055 38.383 38.460 -0.220 0.000 1.326 347 Y HN 0.325 nan 8.280 nan 0.000 0.580 348 A N 1.857 124.906 122.820 0.382 0.000 2.095 348 A HA 0.160 4.480 4.320 -0.001 0.000 0.212 348 A C 0.333 178.257 177.584 0.566 0.000 1.162 348 A CA 0.069 52.409 52.037 0.505 0.000 0.753 348 A CB -0.153 18.989 19.000 0.237 0.000 0.840 348 A HN 0.645 nan 8.150 nan 0.000 0.468 349 L N 2.060 123.542 121.223 0.433 0.000 2.262 349 L HA 0.447 4.787 4.340 -0.001 0.000 0.288 349 L C -2.609 174.389 176.870 0.213 0.000 1.035 349 L CA -2.157 52.841 54.840 0.263 0.000 0.820 349 L CB 1.532 43.675 42.059 0.139 0.000 1.204 349 L HN -0.043 nan 8.230 nan 0.000 0.424 350 P HA 0.377 nan 4.420 nan 0.000 0.285 350 P C -1.521 175.685 177.300 -0.157 0.000 1.448 350 P CA -0.371 62.592 63.100 -0.228 0.000 0.953 350 P CB 1.377 32.526 31.700 -0.917 0.000 1.175 351 A N 4.386 127.127 122.820 -0.132 0.000 2.311 351 A HA 0.453 4.773 4.320 -0.001 0.000 0.306 351 A C -0.190 177.220 177.584 -0.291 0.000 1.189 351 A CA -0.721 51.185 52.037 -0.217 0.000 0.791 351 A CB 1.063 19.911 19.000 -0.253 0.000 1.172 351 A HN 0.305 nan 8.150 nan 0.000 0.481 352 V N 2.565 122.193 119.914 -0.477 0.000 2.470 352 V HA 0.320 4.439 4.120 -0.001 0.000 0.276 352 V C 1.215 176.933 176.094 -0.625 0.000 1.040 352 V CA 1.041 62.997 62.300 -0.573 0.000 1.008 352 V CB 0.811 32.100 31.823 -0.889 0.000 0.990 352 V HN 1.085 nan 8.190 nan 0.000 0.477 353 A N 4.455 127.080 122.820 -0.324 0.000 2.382 353 A HA 0.174 4.494 4.320 -0.001 0.000 0.228 353 A C 1.171 178.697 177.584 -0.095 0.000 1.217 353 A CA 0.253 52.164 52.037 -0.211 0.000 0.923 353 A CB -0.092 18.840 19.000 -0.114 0.000 0.979 353 A HN 0.841 nan 8.150 nan 0.000 0.515 354 N N -1.371 117.278 118.700 -0.085 0.000 2.235 354 N HA 0.316 5.056 4.740 -0.001 0.000 0.231 354 N C -0.177 175.353 175.510 0.032 0.000 1.177 354 N CA -0.188 52.859 53.050 -0.004 0.000 0.874 354 N CB -0.341 38.145 38.487 -0.002 0.000 1.097 354 N HN 0.332 nan 8.380 nan 0.000 0.518 355 M N 0.617 120.225 119.600 0.015 0.000 2.283 355 M HA 0.382 4.861 4.480 -0.001 0.000 0.314 355 M C -0.707 175.713 176.300 0.201 0.000 1.153 355 M CA -0.751 54.625 55.300 0.126 0.000 1.084 355 M CB 1.447 34.122 32.600 0.126 0.000 1.468 355 M HN 0.225 nan 8.290 nan 0.000 0.474 356 L N 3.327 124.713 121.223 0.272 0.000 2.313 356 L HA 0.523 4.863 4.340 -0.001 0.000 0.283 356 L C -1.558 175.531 176.870 0.364 0.000 1.013 356 L CA -1.058 53.955 54.840 0.288 0.000 0.816 356 L CB 1.296 43.492 42.059 0.227 0.000 1.236 356 L HN 0.629 nan 8.230 nan 0.000 0.419 357 L N 5.189 126.624 121.223 0.352 0.000 2.290 357 L HA 0.426 4.766 4.340 -0.001 0.000 0.284 357 L C -0.323 176.710 176.870 0.272 0.000 1.078 357 L CA 0.471 55.451 54.840 0.233 0.000 0.815 357 L CB 1.000 43.142 42.059 0.139 0.000 1.162 357 L HN 0.618 nan 8.230 nan 0.000 0.435 358 E N 4.856 125.178 120.200 0.204 0.000 2.171 358 E HA 0.516 4.866 4.350 -0.001 0.000 0.271 358 E C -1.897 174.762 176.600 0.097 0.000 0.916 358 E CA -0.486 56.039 56.400 0.209 0.000 0.774 358 E CB 1.953 31.845 29.700 0.320 0.000 1.128 358 E HN 0.505 nan 8.360 nan 0.000 0.403 359 V N 3.119 123.068 119.914 0.059 0.000 2.697 359 V HA 0.486 4.605 4.120 -0.001 0.000 0.300 359 V C 0.192 176.212 176.094 -0.124 0.000 1.115 359 V CA 0.478 62.710 62.300 -0.113 0.000 0.912 359 V CB 1.196 32.837 31.823 -0.303 0.000 1.024 359 V HN 0.874 nan 8.190 nan 0.000 0.431 360 G N 4.511 113.282 108.800 -0.048 0.000 2.390 360 G HA2 0.089 4.048 3.960 -0.001 0.000 0.299 360 G HA3 0.089 4.048 3.960 -0.001 0.000 0.299 360 G C 1.580 176.600 174.900 0.201 0.000 1.002 360 G CA 1.341 46.532 45.100 0.151 0.000 0.979 360 G HN 2.763 nan 8.290 nan 0.000 0.513 361 G N -2.085 106.783 108.800 0.113 0.000 2.205 361 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.261 361 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.261 361 G C 0.552 175.469 174.900 0.029 0.000 0.980 361 G CA 0.704 45.856 45.100 0.086 0.000 0.632 361 G HN 1.304 nan 8.290 nan 0.000 0.533 362 L N 0.264 121.481 121.223 -0.010 0.000 2.421 362 L HA 0.695 5.035 4.340 -0.001 0.000 0.263 362 L C 0.359 177.140 176.870 -0.148 0.000 1.122 362 L CA -0.576 54.165 54.840 -0.164 0.000 0.804 362 L CB 1.127 43.018 42.059 -0.280 0.000 1.150 362 L HN 0.172 nan 8.230 nan 0.000 0.457 363 E N 1.559 121.569 120.200 -0.318 0.000 2.241 363 E HA 0.370 4.719 4.350 -0.001 0.000 0.263 363 E C -1.630 174.779 176.600 -0.317 0.000 0.882 363 E CA -0.390 55.911 56.400 -0.164 0.000 0.769 363 E CB 1.818 31.458 29.700 -0.101 0.000 1.185 363 E HN 0.244 nan 8.360 nan 0.000 0.415 364 F N 3.906 123.874 119.950 0.030 0.000 2.307 364 F HA 0.268 4.794 4.527 -0.001 0.000 0.369 364 F C -1.485 174.382 175.800 0.110 0.000 1.076 364 F CA -2.259 55.779 58.000 0.064 0.000 1.149 364 F CB 1.154 40.179 39.000 0.043 0.000 1.410 364 F HN 0.333 nan 8.300 nan 0.000 0.481 365 P HA 0.003 nan 4.420 nan 0.000 0.239 365 P C 0.579 178.029 177.300 0.250 0.000 1.184 365 P CA 0.600 63.818 63.100 0.196 0.000 0.760 365 P CB 0.486 32.263 31.700 0.128 0.000 0.884 366 G N 0.517 109.519 108.800 0.337 0.000 2.955 366 G HA2 0.425 4.384 3.960 -0.001 0.000 0.336 366 G HA3 0.425 4.384 3.960 -0.001 0.000 0.336 366 G C -0.332 174.751 174.900 0.305 0.000 1.264 366 G CA -0.374 44.990 45.100 0.440 0.000 1.096 366 G HN 0.292 nan 8.290 nan 0.000 0.486 367 C N 1.566 120.966 119.300 0.167 0.000 3.319 367 C HA 0.493 4.952 4.460 -0.001 0.000 0.258 367 C C -2.611 172.368 174.990 -0.018 0.000 1.068 367 C CA -2.148 56.890 59.018 0.034 0.000 1.193 367 C CB 0.801 28.625 27.740 0.139 0.000 1.770 367 C HN 0.483 nan 8.230 nan 0.000 0.604 368 P HA 0.447 nan 4.420 nan 0.000 0.276 368 P C -0.623 176.637 177.300 -0.067 0.000 1.230 368 P CA 0.694 63.671 63.100 -0.206 0.000 0.776 368 P CB 0.797 32.407 31.700 -0.151 0.000 0.888 369 F N 0.855 120.737 119.950 -0.114 0.000 2.675 369 F HA 0.787 5.313 4.527 -0.001 0.000 0.324 369 F C -0.727 174.971 175.800 -0.169 0.000 1.106 369 F CA -1.454 56.469 58.000 -0.127 0.000 0.970 369 F CB 1.208 39.981 39.000 -0.379 0.000 1.385 369 F HN 0.412 nan 8.300 nan 0.000 0.489 370 N N -1.250 117.554 118.700 0.175 0.000 2.961 370 N HA 0.745 5.484 4.740 -0.001 0.000 0.245 370 N C -1.029 174.399 175.510 -0.138 0.000 1.404 370 N CA -0.356 52.703 53.050 0.016 0.000 0.880 370 N CB 1.618 40.133 38.487 0.046 0.000 1.461 370 N HN 1.102 nan 8.380 nan 0.000 0.510 371 G N -1.449 107.224 108.800 -0.211 0.000 3.187 371 G HA2 0.624 4.584 3.960 -0.001 0.000 0.175 371 G HA3 0.624 4.584 3.960 -0.001 0.000 0.175 371 G C -1.731 173.064 174.900 -0.174 0.000 1.112 371 G CA -0.468 44.402 45.100 -0.383 0.000 0.821 371 G HN 0.757 nan 8.290 nan 0.000 0.636 372 W N -1.569 119.728 121.300 -0.005 0.000 2.929 372 W HA 0.837 5.496 4.660 -0.001 0.000 0.345 372 W C -1.362 175.152 176.519 -0.008 0.000 1.151 372 W CA -2.169 55.190 57.345 0.023 0.000 1.111 372 W CB 0.315 29.823 29.460 0.080 0.000 1.449 372 W HN 0.413 nan 8.180 nan 0.000 0.572 373 Y N 1.933 122.412 120.300 0.298 0.000 2.357 373 Y HA 0.340 4.890 4.550 -0.001 0.000 0.340 373 Y C 0.583 176.532 175.900 0.081 0.000 1.260 373 Y CA -0.638 57.514 58.100 0.088 0.000 1.425 373 Y CB 1.114 39.520 38.460 -0.090 0.000 1.326 373 Y HN 0.407 nan 8.280 nan 0.000 0.580 374 M N 1.763 121.519 119.600 0.260 0.000 2.134 374 M HA 0.347 4.827 4.480 -0.001 0.000 0.310 374 M C 0.959 177.246 176.300 -0.021 0.000 0.966 374 M CA -0.251 55.118 55.300 0.115 0.000 0.922 374 M CB 1.354 34.013 32.600 0.098 0.000 1.537 374 M HN 0.838 nan 8.290 nan 0.000 0.424 375 G N 2.098 110.841 108.800 -0.095 0.000 2.759 375 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.224 375 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.224 375 G C 1.134 175.916 174.900 -0.196 0.000 1.173 375 G CA 2.304 47.295 45.100 -0.181 0.000 0.770 375 G HN 0.876 nan 8.290 nan 0.000 0.626 376 T N -0.372 114.099 114.554 -0.139 0.000 2.721 376 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 376 T C 1.962 176.529 174.700 -0.222 0.000 1.038 376 T CA 1.908 63.879 62.100 -0.215 0.000 1.145 376 T CB -0.534 68.168 68.868 -0.277 0.000 0.858 376 T HN 0.606 nan 8.240 nan 0.000 0.459 377 E N 0.956 121.049 120.200 -0.178 0.000 2.130 377 E HA -0.088 4.261 4.350 -0.001 0.000 0.196 377 E C 2.183 178.572 176.600 -0.353 0.000 0.998 377 E CA 1.556 57.861 56.400 -0.158 0.000 0.806 377 E CB -0.374 29.366 29.700 0.066 0.000 0.738 377 E HN 0.630 nan 8.360 nan 0.000 0.459 378 I N 0.010 120.239 120.570 -0.568 0.000 2.364 378 I HA -0.021 4.149 4.170 -0.001 0.000 0.241 378 I C 2.585 178.259 176.117 -0.738 0.000 1.082 378 I CA 0.837 61.552 61.300 -0.975 0.000 1.401 378 I CB -0.506 36.796 38.000 -1.162 0.000 1.126 378 I HN 0.079 nan 8.210 nan 0.000 0.429 379 G N 0.569 109.146 108.800 -0.373 0.000 2.471 379 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.219 379 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.219 379 G C 1.464 176.343 174.900 -0.034 0.000 1.125 379 G CA 1.077 46.135 45.100 -0.071 0.000 0.775 379 G HN 0.270 nan 8.290 nan 0.000 0.548 380 V N -0.583 119.251 119.914 -0.132 0.000 2.854 380 V HA 0.178 4.298 4.120 -0.001 0.000 0.236 380 V C 2.560 178.599 176.094 -0.092 0.000 1.157 380 V CA 0.320 62.562 62.300 -0.097 0.000 1.187 380 V CB -0.206 31.527 31.823 -0.150 0.000 0.949 380 V HN 0.025 nan 8.190 nan 0.000 0.488 381 R N 1.022 121.431 120.500 -0.152 0.000 2.052 381 R HA 0.008 4.348 4.340 -0.001 0.000 0.224 381 R C 2.016 178.253 176.300 -0.105 0.000 1.165 381 R CA 1.572 57.600 56.100 -0.121 0.000 0.939 381 R CB -1.143 29.074 30.300 -0.138 0.000 0.834 381 R HN 0.470 nan 8.270 nan 0.000 0.435 382 D N 0.424 120.668 120.400 -0.260 0.000 2.103 382 D HA -0.173 4.467 4.640 -0.001 0.000 0.190 382 D C 1.962 178.224 176.300 -0.064 0.000 0.997 382 D CA 1.397 55.206 54.000 -0.318 0.000 0.833 382 D CB -0.213 39.925 40.800 -1.103 0.000 0.961 382 D HN 0.084 nan 8.370 nan 0.000 0.447 383 F N 0.493 120.368 119.950 -0.125 0.000 2.187 383 F HA -0.010 4.517 4.527 -0.001 0.000 0.295 383 F C 2.544 178.405 175.800 0.101 0.000 1.091 383 F CA 0.060 58.077 58.000 0.028 0.000 1.308 383 F CB -0.709 38.272 39.000 -0.032 0.000 1.030 383 F HN 0.039 nan 8.300 nan 0.000 0.487 384 C N -1.038 118.398 119.300 0.226 0.000 2.799 384 C HA 0.166 4.626 4.460 -0.001 0.000 0.267 384 C C 0.453 175.502 174.990 0.098 0.000 1.257 384 C CA -0.771 58.338 59.018 0.152 0.000 1.702 384 C CB -0.915 26.884 27.740 0.097 0.000 1.934 384 C HN 0.093 nan 8.230 nan 0.000 0.594 385 D N 1.122 121.573 120.400 0.085 0.000 2.455 385 D HA 0.087 4.727 4.640 -0.001 0.000 0.241 385 D C 1.230 177.577 176.300 0.078 0.000 1.138 385 D CA 0.276 54.310 54.000 0.057 0.000 0.877 385 D CB 1.159 41.987 40.800 0.047 0.000 1.187 385 D HN -0.002 nan 8.370 nan 0.000 0.451 386 V N 2.849 122.798 119.914 0.058 0.000 2.490 386 V HA -0.242 3.877 4.120 -0.001 0.000 0.250 386 V C 2.143 178.272 176.094 0.058 0.000 1.061 386 V CA 1.548 63.885 62.300 0.062 0.000 1.064 386 V CB -0.660 31.193 31.823 0.050 0.000 0.670 386 V HN 0.655 nan 8.190 nan 0.000 0.461 387 Q N 0.428 120.259 119.800 0.051 0.000 2.373 387 Q HA 0.049 4.389 4.340 -0.001 0.000 0.206 387 Q C 1.020 177.046 176.000 0.044 0.000 0.942 387 Q CA 0.481 56.311 55.803 0.044 0.000 0.953 387 Q CB 0.169 28.933 28.738 0.043 0.000 1.022 387 Q HN 0.627 nan 8.270 nan 0.000 0.502 388 R N -0.975 119.561 120.500 0.060 0.000 2.841 388 R HA 0.262 4.601 4.340 -0.001 0.000 0.098 388 R C 0.850 177.165 176.300 0.025 0.000 0.781 388 R CA -0.519 55.617 56.100 0.060 0.000 0.587 388 R CB -0.426 29.971 30.300 0.162 0.000 0.551 388 R HN 0.021 nan 8.270 nan 0.000 0.341 389 Y N 1.686 122.112 120.300 0.210 0.000 2.561 389 Y HA -0.023 4.526 4.550 -0.001 0.000 0.291 389 Y C 0.451 176.453 175.900 0.170 0.000 1.141 389 Y CA 0.544 58.782 58.100 0.229 0.000 1.303 389 Y CB -0.389 38.309 38.460 0.395 0.000 1.015 389 Y HN 0.461 nan 8.280 nan 0.000 0.547 390 N N 1.186 120.042 118.700 0.259 0.000 2.684 390 N HA -0.231 4.508 4.740 -0.001 0.000 0.284 390 N C 0.271 175.894 175.510 0.188 0.000 1.067 390 N CA 0.822 53.983 53.050 0.185 0.000 0.791 390 N CB -1.009 37.553 38.487 0.125 0.000 0.934 390 N HN 0.652 nan 8.380 nan 0.000 0.566 391 I N -2.261 118.433 120.570 0.206 0.000 4.018 391 I HA 0.134 4.304 4.170 -0.001 0.000 0.337 391 I C 1.592 177.821 176.117 0.187 0.000 1.327 391 I CA -0.521 60.880 61.300 0.168 0.000 1.100 391 I CB -0.064 38.004 38.000 0.113 0.000 1.025 391 I HN 0.205 nan 8.210 nan 0.000 0.396 392 L N 1.389 122.737 121.223 0.208 0.000 2.021 392 L HA -0.259 4.080 4.340 -0.001 0.000 0.215 392 L C 2.677 179.773 176.870 0.376 0.000 1.074 392 L CA 2.160 57.160 54.840 0.266 0.000 0.760 392 L CB -0.384 41.788 42.059 0.188 0.000 0.889 392 L HN 0.417 nan 8.230 nan 0.000 0.433 393 E N 0.568 120.965 120.200 0.330 0.000 2.045 393 E HA -0.350 3.999 4.350 -0.001 0.000 0.212 393 E C 1.941 178.612 176.600 0.119 0.000 1.039 393 E CA 2.357 58.903 56.400 0.243 0.000 0.860 393 E CB -0.249 29.544 29.700 0.154 0.000 0.776 393 E HN 0.438 nan 8.360 nan 0.000 0.467 394 E N -0.728 119.529 120.200 0.095 0.000 2.085 394 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 394 E C 1.973 178.604 176.600 0.050 0.000 0.994 394 E CA 1.742 58.166 56.400 0.040 0.000 0.801 394 E CB -0.055 29.670 29.700 0.041 0.000 0.743 394 E HN 0.246 nan 8.360 nan 0.000 0.453 395 V N 0.475 120.488 119.914 0.164 0.000 2.759 395 V HA -0.115 4.004 4.120 -0.001 0.000 0.256 395 V C 2.233 178.453 176.094 0.210 0.000 1.080 395 V CA 1.563 64.026 62.300 0.273 0.000 1.101 395 V CB -0.506 31.565 31.823 0.413 0.000 0.698 395 V HN 0.491 nan 8.190 nan 0.000 0.477 396 G N -0.147 108.763 108.800 0.183 0.000 2.408 396 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.215 396 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.215 396 G C 1.691 176.528 174.900 -0.104 0.000 1.156 396 G CA 0.571 45.743 45.100 0.121 0.000 0.793 396 G HN 0.411 nan 8.290 nan 0.000 0.535 397 R N 0.366 120.775 120.500 -0.151 0.000 2.070 397 R HA -0.055 4.284 4.340 -0.001 0.000 0.233 397 R C 2.660 178.778 176.300 -0.303 0.000 1.137 397 R CA 0.961 56.934 56.100 -0.211 0.000 0.945 397 R CB -0.294 29.903 30.300 -0.171 0.000 0.845 397 R HN 0.107 nan 8.270 nan 0.000 0.430 398 R N 0.402 120.650 120.500 -0.421 0.000 2.096 398 R HA -0.138 4.202 4.340 -0.001 0.000 0.240 398 R C 2.217 177.963 176.300 -0.924 0.000 1.139 398 R CA 1.833 57.395 56.100 -0.897 0.000 0.952 398 R CB -0.578 28.818 30.300 -1.507 0.000 0.854 398 R HN 0.424 nan 8.270 nan 0.000 0.436 399 M N -0.454 118.840 119.600 -0.510 0.000 2.557 399 M HA 0.055 4.534 4.480 -0.001 0.000 0.259 399 M C 0.916 177.093 176.300 -0.205 0.000 1.086 399 M CA 0.983 56.129 55.300 -0.256 0.000 1.096 399 M CB 0.029 32.671 32.600 0.071 0.000 1.424 399 M HN 0.417 nan 8.290 nan 0.000 0.488 400 G N 1.965 110.629 108.800 -0.227 0.000 2.198 400 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.260 400 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.260 400 G C 0.034 174.870 174.900 -0.107 0.000 1.025 400 G CA -0.108 44.890 45.100 -0.171 0.000 0.769 400 G HN 0.409 nan 8.290 nan 0.000 0.507 401 L N -0.546 120.625 121.223 -0.086 0.000 2.453 401 L HA 0.290 4.629 4.340 -0.001 0.000 0.261 401 L C 1.148 177.932 176.870 -0.144 0.000 1.179 401 L CA -0.437 54.378 54.840 -0.042 0.000 0.813 401 L CB 0.416 42.524 42.059 0.081 0.000 1.110 401 L HN 0.175 nan 8.230 nan 0.000 0.466 402 E N 0.674 120.800 120.200 -0.123 0.000 2.053 402 E HA -0.035 4.315 4.350 -0.001 0.000 0.297 402 E C 0.833 177.075 176.600 -0.597 0.000 1.173 402 E CA -0.044 56.213 56.400 -0.237 0.000 1.219 402 E CB -0.039 29.518 29.700 -0.239 0.000 1.103 402 E HN 0.629 nan 8.360 nan 0.000 0.476 403 T N -1.701 112.383 114.554 -0.782 0.000 3.228 403 T HA -0.145 4.205 4.350 -0.001 0.000 0.261 403 T C 1.456 175.713 174.700 -0.739 0.000 1.171 403 T CA 0.721 61.870 62.100 -1.584 0.000 1.056 403 T CB -0.311 67.633 68.868 -1.539 0.000 0.938 403 T HN 0.506 nan 8.240 nan 0.000 0.539 404 H N 1.483 120.368 119.070 -0.309 0.000 2.448 404 H HA 0.204 4.759 4.556 -0.001 0.000 0.292 404 H C 0.696 176.045 175.328 0.036 0.000 1.035 404 H CA 0.217 56.203 56.048 -0.103 0.000 1.349 404 H CB -0.046 29.667 29.762 -0.082 0.000 1.425 404 H HN 0.590 nan 8.280 nan 0.000 0.539 405 K N 0.865 121.095 120.400 -0.284 0.000 2.376 405 K HA 0.337 4.656 4.320 -0.001 0.000 0.257 405 K C 0.306 176.992 176.600 0.143 0.000 0.939 405 K CA -0.637 55.645 56.287 -0.010 0.000 0.809 405 K CB 2.335 34.822 32.500 -0.021 0.000 1.121 405 K HN -0.033 nan 8.250 nan 0.000 0.425 406 L N 2.020 123.354 121.223 0.187 0.000 2.046 406 L HA -0.189 4.150 4.340 -0.001 0.000 0.208 406 L C 2.540 179.452 176.870 0.069 0.000 1.077 406 L CA 1.661 56.579 54.840 0.130 0.000 0.747 406 L CB -0.745 41.342 42.059 0.047 0.000 0.896 406 L HN 1.010 nan 8.230 nan 0.000 0.432 407 A N 0.607 123.461 122.820 0.057 0.000 2.104 407 A HA -0.278 4.042 4.320 -0.001 0.000 0.223 407 A C 2.426 180.035 177.584 0.043 0.000 1.164 407 A CA 2.252 54.313 52.037 0.040 0.000 0.659 407 A CB -0.720 18.304 19.000 0.041 0.000 0.808 407 A HN 0.603 nan 8.150 nan 0.000 0.465 408 S N -1.201 114.539 115.700 0.067 0.000 2.562 408 S HA 0.275 4.745 4.470 -0.001 0.000 0.221 408 S C 0.747 175.402 174.600 0.092 0.000 0.975 408 S CA 0.450 58.695 58.200 0.075 0.000 0.918 408 S CB -0.586 62.654 63.200 0.066 0.000 0.772 408 S HN 0.872 nan 8.310 nan 0.000 0.531 409 L N 1.061 122.320 121.223 0.061 0.000 3.608 409 L HA -0.161 4.179 4.340 -0.001 0.000 0.422 409 L C 1.505 178.399 176.870 0.040 0.000 1.260 409 L CA 0.553 55.389 54.840 -0.008 0.000 0.889 409 L CB -2.339 39.722 42.059 0.004 0.000 1.821 409 L HN 0.728 nan 8.230 nan 0.000 0.884 410 W N -0.214 121.081 121.300 -0.008 0.000 2.418 410 W HA -0.080 4.580 4.660 -0.001 0.000 0.292 410 W C 1.705 178.244 176.519 0.033 0.000 1.213 410 W CA 1.168 58.517 57.345 0.008 0.000 1.283 410 W CB -0.644 28.806 29.460 -0.017 0.000 1.119 410 W HN 0.280 nan 8.180 nan 0.000 0.542 411 K N 1.181 121.171 120.400 -0.683 0.000 2.026 411 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 411 K C 1.525 177.994 176.600 -0.218 0.000 1.048 411 K CA 2.441 58.334 56.287 -0.657 0.000 0.929 411 K CB -0.434 31.543 32.500 -0.872 0.000 0.713 411 K HN 0.031 nan 8.250 nan 0.000 0.439 412 D N 0.671 120.971 120.400 -0.166 0.000 2.117 412 D HA -0.167 4.473 4.640 -0.001 0.000 0.197 412 D C 2.008 178.315 176.300 0.012 0.000 0.987 412 D CA 1.106 55.067 54.000 -0.065 0.000 0.829 412 D CB -0.032 40.738 40.800 -0.050 0.000 0.961 412 D HN 0.197 nan 8.370 nan 0.000 0.460 413 Q N -0.153 119.682 119.800 0.058 0.000 2.079 413 Q HA -0.084 4.256 4.340 -0.001 0.000 0.200 413 Q C 2.190 178.288 176.000 0.163 0.000 0.974 413 Q CA 1.336 57.211 55.803 0.120 0.000 0.840 413 Q CB -0.096 28.736 28.738 0.158 0.000 0.898 413 Q HN 0.315 nan 8.270 nan 0.000 0.430 414 A N -0.106 122.829 122.820 0.192 0.000 1.858 414 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 414 A C 2.242 179.933 177.584 0.179 0.000 1.190 414 A CA 1.589 53.776 52.037 0.250 0.000 0.617 414 A CB -0.958 18.226 19.000 0.307 0.000 0.827 414 A HN 0.254 nan 8.150 nan 0.000 0.443 415 V N -0.053 119.920 119.914 0.098 0.000 2.317 415 V HA -0.302 3.817 4.120 -0.001 0.000 0.251 415 V C 2.568 178.690 176.094 0.046 0.000 1.065 415 V CA 2.192 64.527 62.300 0.058 0.000 1.049 415 V CB -1.090 30.731 31.823 -0.003 0.000 0.651 415 V HN 0.385 nan 8.190 nan 0.000 0.450 416 V N -0.216 119.728 119.914 0.050 0.000 2.255 416 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 416 V C 2.600 178.694 176.094 0.000 0.000 1.051 416 V CA 2.050 64.373 62.300 0.037 0.000 1.018 416 V CB -0.738 31.118 31.823 0.056 0.000 0.641 416 V HN 0.539 nan 8.190 nan 0.000 0.445 417 E N -0.005 120.224 120.200 0.049 0.000 2.118 417 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 417 E C 2.114 178.557 176.600 -0.261 0.000 0.992 417 E CA 1.372 57.759 56.400 -0.023 0.000 0.804 417 E CB -0.347 29.518 29.700 0.276 0.000 0.741 417 E HN 0.602 nan 8.360 nan 0.000 0.458 418 I N 1.253 121.789 120.570 -0.055 0.000 2.439 418 I HA -0.184 3.985 4.170 -0.001 0.000 0.251 418 I C 1.892 177.963 176.117 -0.076 0.000 1.139 418 I CA 0.683 61.967 61.300 -0.027 0.000 1.438 418 I CB -0.226 37.888 38.000 0.190 0.000 1.085 418 I HN 0.036 nan 8.210 nan 0.000 0.427 419 N N 0.646 119.305 118.700 -0.069 0.000 2.463 419 N HA 0.077 4.816 4.740 -0.001 0.000 0.181 419 N C 1.827 177.272 175.510 -0.108 0.000 1.078 419 N CA 0.786 53.797 53.050 -0.064 0.000 0.902 419 N CB 0.496 38.965 38.487 -0.030 0.000 0.970 419 N HN 0.380 nan 8.380 nan 0.000 0.451 420 I N 0.683 121.125 120.570 -0.212 0.000 2.584 420 I HA -0.078 4.091 4.170 -0.001 0.000 0.255 420 I C 2.300 178.207 176.117 -0.351 0.000 1.145 420 I CA 0.177 61.320 61.300 -0.261 0.000 1.462 420 I CB -0.020 37.778 38.000 -0.336 0.000 1.102 420 I HN -0.006 nan 8.210 nan 0.000 0.433 421 A N 0.786 123.277 122.820 -0.548 0.000 1.858 421 A HA -0.156 4.164 4.320 -0.001 0.000 0.216 421 A C 2.389 179.918 177.584 -0.092 0.000 1.190 421 A CA 1.729 53.463 52.037 -0.505 0.000 0.617 421 A CB -0.988 17.459 19.000 -0.922 0.000 0.827 421 A HN 0.185 nan 8.150 nan 0.000 0.443 422 V N 0.261 120.157 119.914 -0.029 0.000 2.252 422 V HA -0.307 3.812 4.120 -0.001 0.000 0.249 422 V C 2.582 178.721 176.094 0.075 0.000 1.056 422 V CA 2.160 64.511 62.300 0.086 0.000 1.022 422 V CB -0.886 30.922 31.823 -0.026 0.000 0.641 422 V HN 0.568 nan 8.190 nan 0.000 0.445 423 L N -0.522 120.688 121.223 -0.022 0.000 2.131 423 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 423 L C 2.609 179.508 176.870 0.048 0.000 1.092 423 L CA 1.948 56.780 54.840 -0.015 0.000 0.759 423 L CB -0.754 41.289 42.059 -0.028 0.000 0.903 423 L HN 0.588 nan 8.230 nan 0.000 0.435 424 H N -0.565 118.480 119.070 -0.042 0.000 2.317 424 H HA -0.081 4.475 4.556 -0.001 0.000 0.304 424 H C 2.247 177.588 175.328 0.022 0.000 1.067 424 H CA 1.544 57.570 56.048 -0.037 0.000 1.352 424 H CB 0.204 29.902 29.762 -0.107 0.000 1.398 424 H HN 0.158 nan 8.280 nan 0.000 0.510 425 S N 0.691 116.302 115.700 -0.149 0.000 2.368 425 S HA -0.179 4.291 4.470 -0.001 0.000 0.226 425 S C 2.039 176.583 174.600 -0.093 0.000 1.044 425 S CA 1.754 59.865 58.200 -0.148 0.000 1.062 425 S CB -0.711 62.535 63.200 0.076 0.000 0.931 425 S HN 0.313 nan 8.310 nan 0.000 0.440 426 F N 1.954 121.833 119.950 -0.118 0.000 2.126 426 F HA -0.168 4.358 4.527 -0.001 0.000 0.299 426 F C 2.687 178.427 175.800 -0.099 0.000 1.096 426 F CA 1.412 59.367 58.000 -0.074 0.000 1.255 426 F CB -0.545 38.434 39.000 -0.036 0.000 0.997 426 F HN 0.274 nan 8.300 nan 0.000 0.479 427 Q N -0.332 119.501 119.800 0.055 0.000 2.123 427 Q HA -0.208 4.131 4.340 -0.001 0.000 0.199 427 Q C 2.190 178.132 176.000 -0.096 0.000 0.966 427 Q CA 1.312 57.102 55.803 -0.022 0.000 0.845 427 Q CB -0.313 28.404 28.738 -0.035 0.000 0.907 427 Q HN 0.373 nan 8.270 nan 0.000 0.439 428 K N 1.071 121.344 120.400 -0.212 0.000 2.147 428 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 428 K C 1.592 178.113 176.600 -0.131 0.000 1.049 428 K CA 1.159 57.319 56.287 -0.213 0.000 0.936 428 K CB 0.175 32.452 32.500 -0.371 0.000 0.722 428 K HN 0.173 nan 8.250 nan 0.000 0.446 429 Q N 0.197 119.917 119.800 -0.133 0.000 2.280 429 Q HA 0.077 4.417 4.340 -0.001 0.000 0.202 429 Q C -0.614 175.335 176.000 -0.086 0.000 0.903 429 Q CA -0.177 55.558 55.803 -0.115 0.000 0.948 429 Q CB 0.453 29.094 28.738 -0.162 0.000 1.058 429 Q HN 0.321 nan 8.270 nan 0.000 0.493 430 N N 0.200 118.862 118.700 -0.063 0.000 2.740 430 N HA -0.151 4.588 4.740 -0.001 0.000 0.248 430 N C -1.265 174.235 175.510 -0.017 0.000 1.062 430 N CA 0.482 53.510 53.050 -0.036 0.000 0.704 430 N CB -1.061 37.404 38.487 -0.038 0.000 0.968 430 N HN 0.008 nan 8.380 nan 0.000 0.547 431 V N 0.947 120.869 119.914 0.014 0.000 2.459 431 V HA 0.249 4.368 4.120 -0.001 0.000 0.295 431 V C 0.813 177.033 176.094 0.210 0.000 1.029 431 V CA -0.592 61.761 62.300 0.088 0.000 0.874 431 V CB 2.042 33.867 31.823 0.002 0.000 0.985 431 V HN 0.146 nan 8.190 nan 0.000 0.438 432 T N 6.627 121.265 114.554 0.140 0.000 2.867 432 T HA 0.406 4.756 4.350 -0.001 0.000 0.297 432 T C -0.226 174.551 174.700 0.130 0.000 0.989 432 T CA 0.823 62.940 62.100 0.028 0.000 1.159 432 T CB -0.000 68.795 68.868 -0.121 0.000 0.928 432 T HN 0.546 nan 8.240 nan 0.000 0.538 433 I N 2.593 123.157 120.570 -0.010 0.000 3.093 433 I HA 0.677 4.847 4.170 -0.001 0.000 0.308 433 I C -1.554 174.537 176.117 -0.043 0.000 1.303 433 I CA -1.379 59.905 61.300 -0.026 0.000 0.975 433 I CB 2.317 40.153 38.000 -0.273 0.000 1.286 433 I HN 0.646 nan 8.210 nan 0.000 0.459 434 M N 4.617 124.249 119.600 0.053 0.000 2.550 434 M HA 0.398 4.877 4.480 -0.001 0.000 0.292 434 M C -1.982 174.355 176.300 0.063 0.000 1.221 434 M CA -0.580 54.769 55.300 0.081 0.000 0.873 434 M CB 2.114 34.860 32.600 0.243 0.000 1.727 434 M HN 0.574 nan 8.290 nan 0.000 0.459 435 D N 2.058 122.486 120.400 0.047 0.000 2.277 435 D HA 0.181 4.821 4.640 -0.001 0.000 0.250 435 D C 0.601 176.918 176.300 0.028 0.000 1.032 435 D CA -0.342 53.682 54.000 0.040 0.000 0.947 435 D CB 0.649 41.441 40.800 -0.013 0.000 1.159 435 D HN 0.863 nan 8.370 nan 0.000 0.460 436 H N 0.623 119.645 119.070 -0.080 0.000 2.422 436 H HA -0.169 4.386 4.556 -0.001 0.000 0.298 436 H C 1.289 176.525 175.328 -0.154 0.000 1.098 436 H CA 1.283 57.239 56.048 -0.153 0.000 1.315 436 H CB -0.766 28.841 29.762 -0.258 0.000 1.382 436 H HN 0.530 nan 8.280 nan 0.000 0.523 437 H N 1.230 120.124 119.070 -0.294 0.000 2.270 437 H HA -0.032 4.523 4.556 -0.001 0.000 0.299 437 H C 2.475 177.782 175.328 -0.034 0.000 1.077 437 H CA 1.587 57.541 56.048 -0.156 0.000 1.294 437 H CB -0.096 29.531 29.762 -0.226 0.000 1.371 437 H HN 0.348 nan 8.280 nan 0.000 0.491 438 S N 0.878 116.635 115.700 0.095 0.000 2.368 438 S HA -0.135 4.335 4.470 -0.001 0.000 0.225 438 S C 2.490 177.158 174.600 0.113 0.000 1.030 438 S CA 0.921 59.174 58.200 0.089 0.000 0.999 438 S CB -0.370 62.869 63.200 0.065 0.000 0.844 438 S HN 0.530 nan 8.310 nan 0.000 0.459 439 A N 2.020 124.907 122.820 0.111 0.000 1.851 439 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 439 A C 2.439 180.117 177.584 0.156 0.000 1.195 439 A CA 1.945 54.066 52.037 0.140 0.000 0.622 439 A CB -1.405 17.664 19.000 0.116 0.000 0.831 439 A HN 0.545 nan 8.150 nan 0.000 0.444 440 A N -0.774 122.118 122.820 0.121 0.000 1.940 440 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 440 A C 1.985 179.702 177.584 0.221 0.000 1.176 440 A CA 1.963 54.094 52.037 0.156 0.000 0.631 440 A CB -0.593 18.470 19.000 0.105 0.000 0.814 440 A HN 0.676 nan 8.150 nan 0.000 0.446 441 E N -0.114 120.190 120.200 0.173 0.000 2.110 441 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 441 E C 2.288 178.991 176.600 0.172 0.000 0.988 441 E CA 1.345 57.841 56.400 0.160 0.000 0.804 441 E CB -0.064 29.708 29.700 0.120 0.000 0.745 441 E HN 0.820 nan 8.360 nan 0.000 0.458 442 S N -0.260 115.552 115.700 0.187 0.000 2.436 442 S HA -0.108 4.362 4.470 -0.001 0.000 0.228 442 S C 1.794 176.538 174.600 0.239 0.000 1.014 442 S CA 0.166 58.476 58.200 0.183 0.000 0.950 442 S CB -0.329 62.975 63.200 0.173 0.000 0.784 442 S HN 0.288 nan 8.310 nan 0.000 0.504 443 F N 2.777 122.819 119.950 0.153 0.000 2.134 443 F HA 0.023 4.550 4.527 -0.001 0.000 0.299 443 F C 2.278 178.223 175.800 0.242 0.000 1.097 443 F CA 1.309 59.437 58.000 0.213 0.000 1.264 443 F CB -0.387 38.716 39.000 0.172 0.000 1.001 443 F HN 0.082 nan 8.300 nan 0.000 0.479 444 M N 0.392 120.103 119.600 0.185 0.000 2.108 444 M HA -0.238 4.242 4.480 -0.001 0.000 0.261 444 M C 2.028 178.344 176.300 0.027 0.000 1.066 444 M CA 1.731 57.090 55.300 0.100 0.000 1.107 444 M CB -1.347 31.354 32.600 0.167 0.000 1.356 444 M HN 0.158 nan 8.290 nan 0.000 0.406 445 K N -0.900 119.537 120.400 0.062 0.000 2.057 445 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 445 K C 2.044 178.647 176.600 0.006 0.000 1.049 445 K CA 1.476 57.792 56.287 0.048 0.000 0.931 445 K CB -0.538 32.005 32.500 0.073 0.000 0.714 445 K HN 0.259 nan 8.250 nan 0.000 0.440 446 Y N 1.605 121.827 120.300 -0.130 0.000 2.114 446 Y HA -0.221 4.328 4.550 -0.001 0.000 0.284 446 Y C 2.279 177.999 175.900 -0.300 0.000 1.143 446 Y CA 1.643 59.634 58.100 -0.183 0.000 1.135 446 Y CB -0.357 37.982 38.460 -0.201 0.000 0.980 446 Y HN -0.045 nan 8.280 nan 0.000 0.499 447 M N 0.245 119.387 119.600 -0.764 0.000 2.149 447 M HA -0.295 4.184 4.480 -0.001 0.000 0.261 447 M C 2.425 178.401 176.300 -0.540 0.000 1.064 447 M CA 2.356 57.180 55.300 -0.793 0.000 1.102 447 M CB -0.326 31.932 32.600 -0.570 0.000 1.369 447 M HN 0.559 nan 8.290 nan 0.000 0.408 448 Q N 0.050 119.655 119.800 -0.324 0.000 2.170 448 Q HA -0.193 4.146 4.340 -0.001 0.000 0.203 448 Q C 1.401 177.248 176.000 -0.256 0.000 0.976 448 Q CA 1.775 57.427 55.803 -0.252 0.000 0.858 448 Q CB -0.016 28.748 28.738 0.043 0.000 0.907 448 Q HN 0.614 nan 8.270 nan 0.000 0.433 449 N N 0.232 118.786 118.700 -0.243 0.000 2.250 449 N HA -0.112 4.627 4.740 -0.001 0.000 0.181 449 N C 1.486 176.831 175.510 -0.276 0.000 1.017 449 N CA 0.901 53.842 53.050 -0.181 0.000 0.866 449 N CB -0.069 38.368 38.487 -0.084 0.000 0.985 449 N HN 0.287 nan 8.380 nan 0.000 0.429 450 E N 0.478 120.382 120.200 -0.493 0.000 2.085 450 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 450 E C 1.718 177.988 176.600 -0.551 0.000 0.994 450 E CA 0.965 57.011 56.400 -0.590 0.000 0.801 450 E CB -0.341 28.833 29.700 -0.877 0.000 0.743 450 E HN 0.504 nan 8.360 nan 0.000 0.453 451 Y N 0.501 120.501 120.300 -0.500 0.000 2.263 451 Y HA -0.037 4.513 4.550 -0.001 0.000 0.292 451 Y C 2.565 178.305 175.900 -0.267 0.000 1.130 451 Y CA 0.988 58.833 58.100 -0.425 0.000 1.179 451 Y CB -0.021 38.008 38.460 -0.719 0.000 0.998 451 Y HN -0.074 nan 8.280 nan 0.000 0.532 452 R N -0.461 119.966 120.500 -0.123 0.000 2.235 452 R HA -0.086 4.254 4.340 -0.001 0.000 0.213 452 R C 1.509 177.768 176.300 -0.069 0.000 1.059 452 R CA 1.360 57.422 56.100 -0.063 0.000 0.997 452 R CB 0.066 30.337 30.300 -0.049 0.000 0.884 452 R HN 0.232 nan 8.270 nan 0.000 0.462 453 S N 0.011 115.643 115.700 -0.114 0.000 2.517 453 S HA 0.032 4.502 4.470 -0.001 0.000 0.228 453 S C 1.185 175.722 174.600 -0.104 0.000 1.060 453 S CA 0.351 58.496 58.200 -0.091 0.000 0.937 453 S CB 0.323 63.469 63.200 -0.089 0.000 0.840 453 S HN 0.446 nan 8.310 nan 0.000 0.546 454 R N 0.849 121.249 120.500 -0.168 0.000 2.596 454 R HA 0.464 4.803 4.340 -0.001 0.000 0.369 454 R C 0.774 176.975 176.300 -0.164 0.000 1.042 454 R CA 0.269 56.279 56.100 -0.150 0.000 1.120 454 R CB -0.221 29.979 30.300 -0.167 0.000 1.353 454 R HN 0.267 nan 8.270 nan 0.000 0.564 455 G N 0.313 109.011 108.800 -0.171 0.000 2.341 455 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.292 455 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.292 455 G C 0.178 174.919 174.900 -0.265 0.000 1.021 455 G CA 0.372 45.416 45.100 -0.094 0.000 0.905 455 G HN 0.856 nan 8.290 nan 0.000 0.508 456 G N -2.522 105.819 108.800 -0.765 0.000 2.556 456 G HA2 0.593 4.552 3.960 -0.001 0.000 0.294 456 G HA3 0.593 4.552 3.960 -0.001 0.000 0.294 456 G C -0.951 173.413 174.900 -0.893 0.000 1.516 456 G CA 0.297 44.910 45.100 -0.812 0.000 0.824 456 G HN 1.699 nan 8.290 nan 0.000 0.535 457 C N 3.223 122.143 119.300 -0.634 0.000 2.982 457 C HA 0.621 5.081 4.460 -0.001 0.000 0.372 457 C C -2.647 172.231 174.990 -0.187 0.000 1.061 457 C CA -1.288 57.474 59.018 -0.428 0.000 1.309 457 C CB 1.097 28.535 27.740 -0.504 0.000 1.766 457 C HN 0.625 nan 8.230 nan 0.000 0.504 458 P HA 0.419 nan 4.420 nan 0.000 0.271 458 P C -0.565 176.635 177.300 -0.167 0.000 1.233 458 P CA 0.622 63.324 63.100 -0.664 0.000 0.764 458 P CB 1.181 32.253 31.700 -1.046 0.000 0.825 459 A N 2.874 125.696 122.820 0.003 0.000 2.455 459 A HA 0.453 4.772 4.320 -0.001 0.000 0.300 459 A C -1.091 176.587 177.584 0.156 0.000 1.040 459 A CA -0.536 51.587 52.037 0.143 0.000 0.697 459 A CB 1.369 20.566 19.000 0.328 0.000 1.265 459 A HN 0.420 nan 8.150 nan 0.000 0.407 460 D N 1.869 122.352 120.400 0.138 0.000 2.485 460 D HA 0.181 4.821 4.640 -0.001 0.000 0.229 460 D C 0.838 177.294 176.300 0.260 0.000 1.101 460 D CA -0.582 53.531 54.000 0.188 0.000 0.906 460 D CB 0.142 41.012 40.800 0.117 0.000 1.019 460 D HN 0.554 nan 8.370 nan 0.000 0.516 461 W N 4.322 125.679 121.300 0.097 0.000 2.277 461 W HA -0.309 4.351 4.660 -0.001 0.000 0.327 461 W C 1.772 178.336 176.519 0.074 0.000 1.284 461 W CA 1.695 59.079 57.345 0.065 0.000 1.277 461 W CB -0.222 29.257 29.460 0.031 0.000 1.141 461 W HN 0.476 nan 8.180 nan 0.000 0.482 462 I N -1.277 119.592 120.570 0.500 0.000 2.300 462 I HA -0.327 3.842 4.170 -0.001 0.000 0.252 462 I C 1.764 177.994 176.117 0.188 0.000 1.119 462 I CA 1.615 63.143 61.300 0.380 0.000 1.384 462 I CB -0.685 37.553 38.000 0.397 0.000 1.062 462 I HN 0.158 nan 8.210 nan 0.000 0.426 463 W N -0.039 121.257 121.300 -0.005 0.000 2.872 463 W HA 0.172 4.831 4.660 -0.001 0.000 0.266 463 W C 2.185 178.614 176.519 -0.151 0.000 1.276 463 W CA 0.140 57.453 57.345 -0.054 0.000 1.471 463 W CB -0.144 29.308 29.460 -0.013 0.000 1.071 463 W HN -0.054 nan 8.180 nan 0.000 0.619 464 L N -0.550 120.637 121.223 -0.060 0.000 2.127 464 L HA 0.011 4.350 4.340 -0.001 0.000 0.203 464 L C 0.776 177.444 176.870 -0.337 0.000 1.080 464 L CA 0.373 55.059 54.840 -0.256 0.000 0.768 464 L CB -1.012 40.818 42.059 -0.383 0.000 0.924 464 L HN -0.446 nan 8.230 nan 0.000 0.444 465 V N 1.806 121.430 119.914 -0.483 0.000 2.485 465 V HA 0.046 4.165 4.120 -0.001 0.000 0.287 465 V C -1.831 174.076 176.094 -0.311 0.000 1.022 465 V CA -1.109 60.900 62.300 -0.486 0.000 1.067 465 V CB 0.162 31.454 31.823 -0.885 0.000 0.967 465 V HN 0.068 nan 8.190 nan 0.000 0.479 466 P HA 0.073 nan 4.420 nan 0.000 0.266 466 P C -1.809 175.355 177.300 -0.226 0.000 1.193 466 P CA -0.905 62.062 63.100 -0.222 0.000 0.770 466 P CB 0.031 31.609 31.700 -0.202 0.000 0.836 467 P HA -0.028 nan 4.420 nan 0.000 0.244 467 P C -0.061 177.126 177.300 -0.189 0.000 1.211 467 P CA 1.159 64.136 63.100 -0.205 0.000 0.760 467 P CB -0.132 31.441 31.700 -0.211 0.000 0.961 468 M N -5.480 113.980 119.600 -0.234 0.000 2.534 468 M HA 0.456 4.936 4.480 -0.001 0.000 0.280 468 M C -0.464 175.740 176.300 -0.159 0.000 1.217 468 M CA -0.592 54.593 55.300 -0.192 0.000 0.893 468 M CB 1.648 34.113 32.600 -0.225 0.000 1.730 468 M HN -0.340 nan 8.290 nan 0.000 0.483 469 S N 0.408 116.070 115.700 -0.062 0.000 3.533 469 S HA -0.183 4.286 4.470 -0.001 0.000 0.347 469 S C 1.146 175.733 174.600 -0.022 0.000 1.101 469 S CA 1.027 59.229 58.200 0.003 0.000 1.009 469 S CB -1.973 61.301 63.200 0.124 0.000 0.916 469 S HN 1.295 nan 8.310 nan 0.000 0.496 470 G N 2.127 110.895 108.800 -0.052 0.000 2.649 470 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.220 470 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.220 470 G C 1.356 176.205 174.900 -0.084 0.000 1.189 470 G CA 1.563 46.653 45.100 -0.016 0.000 0.777 470 G HN 1.287 nan 8.290 nan 0.000 0.602 471 S N 0.069 115.482 115.700 -0.478 0.000 2.603 471 S HA 0.186 4.655 4.470 -0.001 0.000 0.220 471 S C 1.944 176.537 174.600 -0.013 0.000 0.967 471 S CA 0.155 57.954 58.200 -0.668 0.000 0.920 471 S CB 0.095 62.536 63.200 -1.265 0.000 0.773 471 S HN 0.216 nan 8.310 nan 0.000 0.529 472 I N 3.002 123.579 120.570 0.012 0.000 2.761 472 I HA 0.013 4.182 4.170 -0.001 0.000 0.261 472 I C 1.391 177.602 176.117 0.156 0.000 1.198 472 I CA 0.724 62.084 61.300 0.099 0.000 1.482 472 I CB -1.839 36.249 38.000 0.146 0.000 1.100 472 I HN 0.457 nan 8.210 nan 0.000 0.445 473 T N -0.275 114.372 114.554 0.154 0.000 2.845 473 T HA 0.285 4.634 4.350 -0.001 0.000 0.288 473 T C -1.284 173.573 174.700 0.262 0.000 0.980 473 T CA -1.751 60.450 62.100 0.168 0.000 1.071 473 T CB 1.941 70.866 68.868 0.095 0.000 0.941 473 T HN -0.016 nan 8.240 nan 0.000 0.487 474 P HA -0.071 nan 4.420 nan 0.000 0.225 474 P C 1.529 179.053 177.300 0.372 0.000 1.148 474 P CA 0.430 63.701 63.100 0.286 0.000 0.779 474 P CB -0.130 31.684 31.700 0.190 0.000 0.780 475 V N -0.473 119.618 119.914 0.295 0.000 2.427 475 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 475 V C 2.369 178.615 176.094 0.255 0.000 1.051 475 V CA 1.504 63.949 62.300 0.241 0.000 1.048 475 V CB -1.731 30.126 31.823 0.058 0.000 0.666 475 V HN -0.011 nan 8.190 nan 0.000 0.456 476 F N 1.384 121.383 119.950 0.082 0.000 2.287 476 F HA -0.207 4.319 4.527 -0.001 0.000 0.301 476 F C 1.902 177.902 175.800 0.333 0.000 1.069 476 F CA 1.857 59.938 58.000 0.135 0.000 1.372 476 F CB -0.327 38.679 39.000 0.010 0.000 1.056 476 F HN 0.346 nan 8.300 nan 0.000 0.523 477 H N -1.705 117.747 119.070 0.637 0.000 2.594 477 H HA 0.238 4.794 4.556 -0.001 0.000 0.279 477 H C 0.138 175.723 175.328 0.430 0.000 1.042 477 H CA -0.029 56.353 56.048 0.557 0.000 1.177 477 H CB -0.005 30.035 29.762 0.463 0.000 1.524 477 H HN 0.115 nan 8.280 nan 0.000 0.537 478 Q N 1.922 122.025 119.800 0.506 0.000 2.303 478 Q HA 0.165 4.504 4.340 -0.001 0.000 0.257 478 Q C -0.606 175.629 176.000 0.391 0.000 0.941 478 Q CA -0.349 55.680 55.803 0.377 0.000 0.931 478 Q CB 0.602 29.568 28.738 0.379 0.000 1.215 478 Q HN 0.346 nan 8.270 nan 0.000 0.437 479 E N 4.075 124.419 120.200 0.239 0.000 2.354 479 E HA 0.400 4.750 4.350 -0.001 0.000 0.269 479 E C -0.368 176.370 176.600 0.231 0.000 1.036 479 E CA 0.047 56.563 56.400 0.193 0.000 0.876 479 E CB 0.773 30.549 29.700 0.126 0.000 1.009 479 E HN 0.643 nan 8.360 nan 0.000 0.416 480 M N 0.941 120.684 119.600 0.237 0.000 2.622 480 M HA 0.472 4.951 4.480 -0.001 0.000 0.276 480 M C -1.550 174.887 176.300 0.228 0.000 1.265 480 M CA -1.144 54.322 55.300 0.278 0.000 0.850 480 M CB 1.181 33.999 32.600 0.364 0.000 1.720 480 M HN 0.153 nan 8.290 nan 0.000 0.465 481 L N 2.005 123.391 121.223 0.270 0.000 2.322 481 L HA 0.566 4.906 4.340 -0.001 0.000 0.281 481 L C -0.627 176.447 176.870 0.340 0.000 1.014 481 L CA -0.102 54.905 54.840 0.279 0.000 0.815 481 L CB 1.722 43.943 42.059 0.271 0.000 1.247 481 L HN 0.705 nan 8.230 nan 0.000 0.421 482 N N 2.231 121.106 118.700 0.292 0.000 2.399 482 N HA 0.674 5.414 4.740 -0.001 0.000 0.295 482 N C -1.623 174.086 175.510 0.332 0.000 1.048 482 N CA -0.232 52.935 53.050 0.194 0.000 0.886 482 N CB 0.963 39.533 38.487 0.138 0.000 1.185 482 N HN 0.404 nan 8.380 nan 0.000 0.487 483 Y N -0.689 119.647 120.300 0.060 0.000 2.662 483 Y HA 0.473 5.022 4.550 -0.001 0.000 0.334 483 Y C -1.582 174.315 175.900 -0.004 0.000 1.185 483 Y CA -1.348 56.768 58.100 0.026 0.000 1.074 483 Y CB 0.223 38.710 38.460 0.045 0.000 1.330 483 Y HN 0.074 nan 8.280 nan 0.000 0.458 484 V N 3.819 123.741 119.914 0.014 0.000 2.439 484 V HA 0.543 4.662 4.120 -0.001 0.000 0.282 484 V C 0.110 176.137 176.094 -0.112 0.000 1.039 484 V CA -0.387 61.738 62.300 -0.291 0.000 0.913 484 V CB 0.918 32.343 31.823 -0.664 0.000 0.983 484 V HN 0.818 nan 8.190 nan 0.000 0.460 485 L N 2.440 123.625 121.223 -0.062 0.000 2.606 485 L HA 0.780 5.120 4.340 -0.001 0.000 0.255 485 L C 0.003 176.916 176.870 0.072 0.000 1.501 485 L CA -0.590 54.282 54.840 0.052 0.000 1.593 485 L CB 1.779 43.889 42.059 0.085 0.000 2.049 485 L HN 0.636 nan 8.230 nan 0.000 0.576 486 S N -0.484 115.278 115.700 0.103 0.000 2.566 486 S HA 0.541 5.011 4.470 -0.001 0.000 0.273 486 S C -2.775 171.895 174.600 0.116 0.000 1.157 486 S CA -0.989 57.288 58.200 0.128 0.000 0.938 486 S CB 1.862 65.149 63.200 0.144 0.000 1.087 486 S HN 0.111 nan 8.310 nan 0.000 0.474 487 P HA 0.488 nan 4.420 nan 0.000 0.272 487 P C -1.261 176.025 177.300 -0.022 0.000 1.254 487 P CA -0.176 62.913 63.100 -0.019 0.000 0.795 487 P CB 0.252 31.859 31.700 -0.155 0.000 1.022 488 F N -0.447 119.318 119.950 -0.308 0.000 2.665 488 F HA 0.402 4.929 4.527 -0.001 0.000 0.308 488 F C -1.692 173.783 175.800 -0.543 0.000 1.112 488 F CA -0.727 57.001 58.000 -0.454 0.000 0.972 488 F CB 1.108 39.818 39.000 -0.484 0.000 1.295 488 F HN 0.145 nan 8.300 nan 0.000 0.440 489 Y N 4.852 124.636 120.300 -0.859 0.000 2.434 489 Y HA 0.426 4.976 4.550 -0.001 0.000 0.341 489 Y C -0.865 174.721 175.900 -0.524 0.000 0.965 489 Y CA -0.664 57.152 58.100 -0.474 0.000 1.205 489 Y CB 0.212 38.408 38.460 -0.439 0.000 1.121 489 Y HN 0.368 nan 8.280 nan 0.000 0.507 490 Y N 1.145 121.532 120.300 0.145 0.000 2.432 490 Y HA 0.372 4.922 4.550 -0.001 0.000 0.322 490 Y C -0.192 175.748 175.900 0.066 0.000 1.246 490 Y CA -1.061 57.130 58.100 0.151 0.000 1.268 490 Y CB 0.677 39.263 38.460 0.210 0.000 1.276 490 Y HN 0.391 nan 8.280 nan 0.000 0.499 491 Y N 0.498 120.962 120.300 0.273 0.000 2.295 491 Y HA 0.369 4.919 4.550 -0.001 0.000 0.331 491 Y C 0.054 176.018 175.900 0.106 0.000 1.311 491 Y CA -0.972 57.207 58.100 0.131 0.000 1.430 491 Y CB 0.657 39.165 38.460 0.080 0.000 1.339 491 Y HN 0.433 nan 8.280 nan 0.000 0.552 492 Q N -0.205 119.722 119.800 0.211 0.000 2.451 492 Q HA 0.546 4.885 4.340 -0.001 0.000 0.281 492 Q C -1.515 174.451 176.000 -0.056 0.000 1.099 492 Q CA -1.191 54.647 55.803 0.058 0.000 0.806 492 Q CB 2.828 31.576 28.738 0.017 0.000 1.419 492 Q HN 0.360 nan 8.270 nan 0.000 0.427 493 V N 2.319 122.164 119.914 -0.115 0.000 2.555 493 V HA 0.023 4.142 4.120 -0.001 0.000 0.286 493 V C 0.291 176.163 176.094 -0.371 0.000 1.044 493 V CA -0.395 61.783 62.300 -0.202 0.000 1.026 493 V CB 0.695 32.419 31.823 -0.167 0.000 0.981 493 V HN 0.643 nan 8.190 nan 0.000 0.480 494 E N 2.984 122.867 120.200 -0.529 0.000 2.829 494 E HA -0.126 4.223 4.350 -0.001 0.000 0.264 494 E C 1.248 177.231 176.600 -1.030 0.000 0.922 494 E CA 0.677 56.475 56.400 -1.005 0.000 0.960 494 E CB 0.499 29.339 29.700 -1.433 0.000 0.918 494 E HN 0.800 nan 8.360 nan 0.000 0.497 495 A N 4.541 126.655 122.820 -1.177 0.000 1.877 495 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 495 A C 1.686 178.666 177.584 -1.006 0.000 1.186 495 A CA 1.629 52.953 52.037 -1.188 0.000 0.620 495 A CB -0.878 16.886 19.000 -2.060 0.000 0.822 495 A HN 0.845 nan 8.150 nan 0.000 0.443 496 W N 0.047 120.842 121.300 -0.841 0.000 2.747 496 W HA 0.098 4.758 4.660 -0.001 0.000 0.244 496 W C 1.162 177.684 176.519 0.005 0.000 1.270 496 W CA 0.810 58.023 57.345 -0.220 0.000 1.333 496 W CB -0.188 29.320 29.460 0.079 0.000 1.139 496 W HN 0.185 nan 8.180 nan 0.000 0.662 497 K N -0.005 120.247 120.400 -0.247 0.000 2.276 497 K HA 0.053 4.373 4.320 -0.001 0.000 0.198 497 K C 1.715 178.294 176.600 -0.034 0.000 1.052 497 K CA 1.449 57.690 56.287 -0.076 0.000 0.984 497 K CB 0.049 32.418 32.500 -0.219 0.000 0.836 497 K HN 0.244 nan 8.250 nan 0.000 0.490 498 T N -2.559 111.933 114.554 -0.105 0.000 3.044 498 T HA 0.071 4.421 4.350 -0.001 0.000 0.260 498 T C 0.013 174.706 174.700 -0.012 0.000 1.019 498 T CA -0.361 61.703 62.100 -0.060 0.000 0.921 498 T CB -0.198 68.606 68.868 -0.107 0.000 1.053 498 T HN 0.030 nan 8.240 nan 0.000 0.533 499 H N 1.761 120.778 119.070 -0.089 0.000 2.668 499 H HA 0.528 5.084 4.556 -0.001 0.000 0.303 499 H C -0.623 174.676 175.328 -0.049 0.000 1.074 499 H CA -0.558 55.427 56.048 -0.105 0.000 1.406 499 H CB 0.581 30.252 29.762 -0.152 0.000 1.442 499 H HN 0.030 nan 8.280 nan 0.000 0.482 500 V N 6.735 126.308 119.914 -0.569 0.000 2.408 500 V HA 0.013 4.132 4.120 -0.001 0.000 0.267 500 V C -0.314 175.403 176.094 -0.629 0.000 1.047 500 V CA -0.649 61.446 62.300 -0.342 0.000 0.937 500 V CB -0.108 31.610 31.823 -0.176 0.000 0.999 500 V HN 0.771 nan 8.190 nan 0.000 0.472 501 W N 4.500 125.651 121.300 -0.248 0.000 2.485 501 W HA 0.301 4.961 4.660 -0.001 0.000 0.315 501 W C 1.534 178.028 176.519 -0.042 0.000 1.304 501 W CA -0.279 57.013 57.345 -0.088 0.000 1.345 501 W CB 0.102 29.605 29.460 0.071 0.000 1.368 501 W HN 0.646 nan 8.180 nan 0.000 0.497 502 Q N 1.907 121.766 119.800 0.097 0.000 2.170 502 Q HA -0.081 4.259 4.340 -0.001 0.000 0.203 502 Q C 0.875 176.949 176.000 0.123 0.000 0.976 502 Q CA 1.574 57.423 55.803 0.076 0.000 0.858 502 Q CB -0.101 28.661 28.738 0.039 0.000 0.907 502 Q HN 0.704 nan 8.270 nan 0.000 0.433 503 D N 0.000 120.522 120.400 0.203 0.000 6.856 503 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 503 D CA 0.000 54.098 54.000 0.164 0.000 0.868 503 D CB 0.000 40.880 40.800 0.133 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683