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 2w8n_1_A DATA FIRST_RESID 56 DATA SEQUENCE AALLRTDSFV GGRWLPAAAT FPVQDPASGA ALGMVADCGV REARAAVRAA DATA SEQUENCE YEAFCRWREV SAKERSSLLR KWYNLMIQNK DDLARIITAE SGKPLKEAHG DATA SEQUENCE EILYSAFFLE WFSEEARRVY GDIIHTPAKD RRALVLKQPI GVAAVITPWN DATA SEQUENCE FPSAMITRKV GAALAAGCTV VVKPAEDTPF SALALAELAS QAGIPSGVYN DATA SEQUENCE VIPCSRKNAK EVGEAICTDP LVSKISFTGS TTTGKILLHH AANSVKRVSM DATA SEQUENCE ELGGLAPFIV FDSANVDQAV AGAMASKFRN TGQTCVCSNQ FLVQRGIHDA DATA SEQUENCE FVKAFAEAMK KNLRVGNGFE EGTTQGPLIN EKAVEKVEKQ VNDAVSKGAT DATA SEQUENCE VVTGGKRHQL GKNFFEPTLL CNVTQDMLCT HEETFGPLAP VIKFDTEEEA DATA SEQUENCE IAIANAADVG LAGYFYSQDP AQIWRVAEQL EVGMVGVNEG LISSVECPFG DATA SEQUENCE GVKQSGLGRE GSKYGIDEYL ELKYVCYGGL 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 56 A HA 0.000 nan 4.320 nan 0.000 0.244 56 A C 0.000 177.548 177.584 -0.060 0.000 1.274 56 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 56 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 57 A N -0.397 122.391 122.820 -0.053 0.000 2.507 57 A HA 0.563 4.883 4.320 -0.000 0.000 0.270 57 A C 1.061 178.595 177.584 -0.082 0.000 1.318 57 A CA 0.221 52.210 52.037 -0.081 0.000 0.924 57 A CB -0.858 18.106 19.000 -0.060 0.000 1.061 57 A HN 0.598 nan 8.150 nan 0.000 0.516 58 L N -1.117 120.072 121.223 -0.056 0.000 2.249 58 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 58 L C 0.639 177.485 176.870 -0.039 0.000 1.090 58 L CA 0.146 54.972 54.840 -0.023 0.000 0.802 58 L CB -0.109 41.950 42.059 0.001 0.000 0.947 58 L HN 0.426 nan 8.230 nan 0.000 0.453 59 L N 1.601 122.765 121.223 -0.098 0.000 2.315 59 L HA 0.226 4.566 4.340 -0.000 0.000 0.283 59 L C -0.108 176.686 176.870 -0.126 0.000 1.089 59 L CA 0.488 55.242 54.840 -0.144 0.000 0.833 59 L CB 0.001 41.905 42.059 -0.258 0.000 1.170 59 L HN 0.020 nan 8.230 nan 0.000 0.442 60 R N 2.386 122.887 120.500 0.001 0.000 2.803 60 R HA 0.559 4.899 4.340 -0.000 0.000 0.276 60 R C 0.481 176.875 176.300 0.156 0.000 0.978 60 R CA 0.110 56.164 56.100 -0.076 0.000 0.939 60 R CB 1.705 31.839 30.300 -0.277 0.000 1.179 60 R HN 0.697 nan 8.270 nan 0.000 0.472 61 T N -4.111 110.474 114.554 0.052 0.000 2.975 61 T HA 0.206 4.556 4.350 -0.000 0.000 0.261 61 T C 0.177 174.916 174.700 0.066 0.000 0.984 61 T CA -0.230 61.921 62.100 0.084 0.000 0.911 61 T CB 0.480 69.376 68.868 0.047 0.000 1.127 61 T HN 0.263 nan 8.240 nan 0.000 0.514 62 D N 2.871 123.353 120.400 0.137 0.000 2.277 62 D HA 0.450 5.090 4.640 -0.000 0.000 0.250 62 D C 0.387 176.932 176.300 0.408 0.000 1.032 62 D CA -0.142 54.011 54.000 0.256 0.000 0.947 62 D CB 1.891 42.894 40.800 0.338 0.000 1.159 62 D HN 0.436 nan 8.370 nan 0.000 0.460 63 S N -0.074 115.805 115.700 0.299 0.000 2.614 63 S HA 0.366 4.836 4.470 -0.000 0.000 0.265 63 S C -0.367 174.407 174.600 0.290 0.000 1.303 63 S CA -0.580 57.772 58.200 0.253 0.000 1.000 63 S CB 0.608 63.885 63.200 0.129 0.000 0.935 63 S HN 0.374 nan 8.310 nan 0.000 0.551 64 F N 1.505 121.417 119.950 -0.063 0.000 2.434 64 F HA 0.631 5.158 4.527 -0.000 0.000 0.355 64 F C -1.218 174.421 175.800 -0.268 0.000 1.115 64 F CA -0.795 56.995 58.000 -0.350 0.000 1.010 64 F CB 1.086 39.770 39.000 -0.528 0.000 1.234 64 F HN 0.479 nan 8.300 nan 0.000 0.439 65 V N 4.511 124.061 119.914 -0.608 0.000 2.686 65 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 65 V C 0.413 176.187 176.094 -0.534 0.000 1.065 65 V CA -0.638 61.391 62.300 -0.453 0.000 0.894 65 V CB 1.378 33.067 31.823 -0.224 0.000 1.004 65 V HN 0.966 nan 8.190 nan 0.000 0.424 66 G N 3.036 111.569 108.800 -0.444 0.000 2.305 66 G HA2 0.078 4.038 3.960 -0.000 0.000 0.287 66 G HA3 0.078 4.038 3.960 -0.000 0.000 0.287 66 G C 1.210 175.829 174.900 -0.467 0.000 1.036 66 G CA 0.871 45.759 45.100 -0.354 0.000 0.887 66 G HN 2.497 nan 8.290 nan 0.000 0.505 67 G N -1.903 106.416 108.800 -0.801 0.000 2.162 67 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 67 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 67 G C 0.379 174.796 174.900 -0.805 0.000 0.976 67 G CA 1.195 45.829 45.100 -0.777 0.000 0.655 67 G HN 1.103 nan 8.290 nan 0.000 0.533 68 R N -1.580 118.375 120.500 -0.907 0.000 2.803 68 R HA 0.535 4.875 4.340 -0.000 0.000 0.276 68 R C -0.894 175.087 176.300 -0.532 0.000 0.978 68 R CA -0.958 54.824 56.100 -0.530 0.000 0.939 68 R CB 1.129 31.282 30.300 -0.245 0.000 1.179 68 R HN 0.170 nan 8.270 nan 0.000 0.472 69 W N 3.338 124.658 121.300 0.034 0.000 2.358 69 W HA 0.372 5.032 4.660 0.000 0.000 0.307 69 W C -0.450 176.093 176.519 0.041 0.000 1.203 69 W CA -0.389 57.024 57.345 0.114 0.000 1.279 69 W CB 0.600 30.148 29.460 0.148 0.000 1.264 69 W HN 0.107 nan 8.180 nan 0.000 0.474 70 L N 7.068 128.427 121.223 0.226 0.000 2.349 70 L HA 0.492 4.832 4.340 -0.000 0.000 0.278 70 L C -1.945 175.005 176.870 0.133 0.000 0.996 70 L CA -2.323 52.594 54.840 0.128 0.000 0.825 70 L CB 1.892 43.974 42.059 0.038 0.000 1.243 70 L HN 0.095 nan 8.230 nan 0.000 0.412 71 P HA 0.371 nan 4.420 nan 0.000 0.278 71 P C -1.009 176.328 177.300 0.062 0.000 1.258 71 P CA -0.340 62.809 63.100 0.081 0.000 0.811 71 P CB 2.027 33.765 31.700 0.063 0.000 1.063 72 A N 0.666 123.519 122.820 0.055 0.000 2.309 72 A HA 0.632 4.952 4.320 -0.000 0.000 0.317 72 A C 1.431 179.040 177.584 0.042 0.000 1.134 72 A CA -0.067 52.000 52.037 0.050 0.000 0.866 72 A CB 0.381 19.419 19.000 0.063 0.000 1.329 72 A HN 0.443 nan 8.150 nan 0.000 0.477 73 A N -0.580 122.263 122.820 0.038 0.000 1.933 73 A HA 0.374 4.694 4.320 -0.000 0.000 0.218 73 A C 1.291 178.898 177.584 0.037 0.000 1.175 73 A CA 2.167 54.223 52.037 0.033 0.000 0.628 73 A CB -0.658 18.359 19.000 0.028 0.000 0.814 73 A HN 1.970 nan 8.150 nan 0.000 0.444 74 A N -1.760 121.090 122.820 0.050 0.000 2.387 74 A HA 0.755 5.075 4.320 -0.000 0.000 0.298 74 A C 0.021 177.647 177.584 0.071 0.000 1.165 74 A CA 0.195 52.268 52.037 0.060 0.000 0.814 74 A CB 0.866 19.909 19.000 0.071 0.000 1.357 74 A HN 0.858 nan 8.150 nan 0.000 0.443 75 T N -2.219 112.381 114.554 0.077 0.000 2.843 75 T HA 0.750 5.100 4.350 -0.000 0.000 0.302 75 T C -0.877 173.898 174.700 0.126 0.000 1.232 75 T CA -0.471 61.652 62.100 0.039 0.000 1.009 75 T CB 1.194 70.039 68.868 -0.038 0.000 1.254 75 T HN 1.610 nan 8.240 nan 0.000 0.504 76 F N -1.024 118.930 119.950 0.007 0.000 2.588 76 F HA 0.853 5.380 4.527 0.000 0.000 0.310 76 F C -3.118 172.684 175.800 0.004 0.000 1.082 76 F CA -2.805 55.196 58.000 0.002 0.000 0.929 76 F CB 1.320 40.315 39.000 -0.008 0.000 1.254 76 F HN 0.457 nan 8.300 nan 0.000 0.455 77 P HA 0.291 nan 4.420 nan 0.000 0.278 77 P C -1.174 176.220 177.300 0.157 0.000 1.238 77 P CA -0.285 62.870 63.100 0.092 0.000 0.794 77 P CB 2.312 34.067 31.700 0.092 0.000 0.955 78 V N 3.904 123.882 119.914 0.107 0.000 2.483 78 V HA 0.314 4.434 4.120 -0.000 0.000 0.297 78 V C 0.141 176.336 176.094 0.169 0.000 1.027 78 V CA -0.387 62.005 62.300 0.153 0.000 0.855 78 V CB 1.443 33.339 31.823 0.120 0.000 0.995 78 V HN 0.541 nan 8.190 nan 0.000 0.424 79 Q N 1.861 121.737 119.800 0.126 0.000 2.348 79 Q HA 0.385 4.725 4.340 -0.000 0.000 0.271 79 Q C -0.778 175.275 176.000 0.089 0.000 1.067 79 Q CA -0.854 55.006 55.803 0.096 0.000 0.839 79 Q CB 2.364 31.136 28.738 0.057 0.000 1.354 79 Q HN 0.722 nan 8.270 nan 0.000 0.447 80 D N 2.972 123.424 120.400 0.087 0.000 2.401 80 D HA 0.001 4.641 4.640 -0.000 0.000 0.254 80 D C -1.509 174.811 176.300 0.034 0.000 1.192 80 D CA -1.381 52.673 54.000 0.090 0.000 0.885 80 D CB 1.117 41.984 40.800 0.112 0.000 1.147 80 D HN 0.284 nan 8.370 nan 0.000 0.478 81 P HA -0.103 nan 4.420 nan 0.000 0.225 81 P C 0.744 177.953 177.300 -0.152 0.000 1.148 81 P CA 0.645 63.685 63.100 -0.100 0.000 0.779 81 P CB 0.391 32.000 31.700 -0.151 0.000 0.780 82 A N 0.972 123.754 122.820 -0.062 0.000 1.871 82 A HA -0.031 4.289 4.320 -0.000 0.000 0.211 82 A C 2.391 180.050 177.584 0.125 0.000 1.207 82 A CA 1.753 53.781 52.037 -0.015 0.000 0.620 82 A CB -1.065 18.043 19.000 0.180 0.000 0.860 82 A HN 0.343 nan 8.150 nan 0.000 0.450 83 S N -2.469 113.306 115.700 0.126 0.000 2.486 83 S HA 0.389 4.858 4.470 -0.000 0.000 0.220 83 S C 1.536 176.181 174.600 0.075 0.000 1.011 83 S CA 1.243 59.514 58.200 0.118 0.000 0.921 83 S CB 0.166 63.429 63.200 0.104 0.000 0.785 83 S HN 1.943 nan 8.310 nan 0.000 0.517 84 G N 1.192 110.024 108.800 0.053 0.000 2.199 84 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.254 84 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.254 84 G C 0.339 175.263 174.900 0.040 0.000 0.982 84 G CA 0.014 45.136 45.100 0.038 0.000 0.632 84 G HN 1.335 nan 8.290 nan 0.000 0.529 85 A N 0.376 123.222 122.820 0.044 0.000 2.498 85 A HA 0.706 5.026 4.320 -0.000 0.000 0.239 85 A C 1.058 178.666 177.584 0.040 0.000 1.068 85 A CA 1.092 53.149 52.037 0.033 0.000 0.766 85 A CB 0.312 19.325 19.000 0.021 0.000 1.003 85 A HN 2.127 nan 8.150 nan 0.000 0.497 86 A N 1.867 124.706 122.820 0.032 0.000 2.454 86 A HA 0.480 4.800 4.320 -0.000 0.000 0.260 86 A C 0.827 178.435 177.584 0.040 0.000 1.106 86 A CA -0.280 51.783 52.037 0.043 0.000 0.780 86 A CB -0.082 18.936 19.000 0.031 0.000 1.044 86 A HN 0.894 nan 8.150 nan 0.000 0.498 87 L N 2.245 123.519 121.223 0.085 0.000 2.357 87 L HA 0.386 4.726 4.340 -0.000 0.000 0.211 87 L C 1.212 178.119 176.870 0.061 0.000 1.075 87 L CA 0.833 55.705 54.840 0.054 0.000 0.830 87 L CB 0.032 42.183 42.059 0.153 0.000 0.996 87 L HN 0.911 nan 8.230 nan 0.000 0.467 88 G N -0.576 108.332 108.800 0.180 0.000 2.325 88 G HA2 0.309 4.269 3.960 -0.000 0.000 0.297 88 G HA3 0.309 4.269 3.960 -0.000 0.000 0.297 88 G C -1.862 173.096 174.900 0.096 0.000 1.448 88 G CA -0.754 44.444 45.100 0.163 0.000 0.838 88 G HN -0.232 nan 8.290 nan 0.000 0.579 89 M N 1.335 120.943 119.600 0.013 0.000 2.055 89 M HA 0.555 5.035 4.480 -0.000 0.000 0.347 89 M C -0.081 176.116 176.300 -0.172 0.000 1.123 89 M CA -0.643 54.603 55.300 -0.090 0.000 1.035 89 M CB 1.117 33.688 32.600 -0.047 0.000 1.484 89 M HN 0.335 nan 8.290 nan 0.000 0.428 90 V N 3.559 123.203 119.914 -0.449 0.000 2.539 90 V HA 0.686 4.806 4.120 -0.000 0.000 0.292 90 V C 0.446 176.260 176.094 -0.466 0.000 1.045 90 V CA -1.270 60.712 62.300 -0.530 0.000 0.945 90 V CB 1.420 32.710 31.823 -0.889 0.000 0.993 90 V HN 0.914 nan 8.190 nan 0.000 0.464 91 A N 2.677 125.397 122.820 -0.168 0.000 2.565 91 A HA 0.126 4.446 4.320 -0.000 0.000 0.237 91 A C 0.268 177.907 177.584 0.091 0.000 1.053 91 A CA 0.276 52.304 52.037 -0.015 0.000 0.755 91 A CB -0.158 18.879 19.000 0.061 0.000 0.980 91 A HN 0.846 nan 8.150 nan 0.000 0.506 92 D N 2.309 122.815 120.400 0.177 0.000 2.485 92 D HA 0.312 4.952 4.640 -0.000 0.000 0.256 92 D C -0.375 176.024 176.300 0.165 0.000 1.141 92 D CA -0.324 53.867 54.000 0.318 0.000 0.942 92 D CB -0.012 40.994 40.800 0.343 0.000 1.003 92 D HN 0.501 nan 8.370 nan 0.000 0.507 93 C N 2.014 121.399 119.300 0.143 0.000 2.657 93 C HA 0.609 5.069 4.460 -0.000 0.000 0.420 93 C C 1.371 176.394 174.990 0.054 0.000 1.323 93 C CA -0.348 58.719 59.018 0.082 0.000 1.894 93 C CB 0.101 27.883 27.740 0.070 0.000 2.681 93 C HN 0.629 nan 8.230 nan 0.000 0.613 94 G N 1.612 110.432 108.800 0.034 0.000 2.820 94 G HA2 0.474 4.434 3.960 -0.000 0.000 0.291 94 G HA3 0.474 4.434 3.960 -0.000 0.000 0.291 94 G C 0.777 175.679 174.900 0.004 0.000 1.323 94 G CA -0.404 44.706 45.100 0.017 0.000 1.055 94 G HN 0.532 nan 8.290 nan 0.000 0.520 95 V N -0.027 119.883 119.914 -0.007 0.000 2.317 95 V HA -0.232 3.888 4.120 -0.000 0.000 0.251 95 V C 3.038 179.123 176.094 -0.016 0.000 1.065 95 V CA 2.449 64.738 62.300 -0.018 0.000 1.049 95 V CB -0.651 31.157 31.823 -0.025 0.000 0.651 95 V HN 0.691 nan 8.190 nan 0.000 0.450 96 R N 0.067 120.561 120.500 -0.010 0.000 2.080 96 R HA -0.210 4.129 4.340 -0.000 0.000 0.236 96 R C 2.287 178.581 176.300 -0.010 0.000 1.137 96 R CA 2.046 58.140 56.100 -0.010 0.000 0.943 96 R CB -0.351 29.946 30.300 -0.005 0.000 0.846 96 R HN 0.559 nan 8.270 nan 0.000 0.431 97 E N -0.537 119.661 120.200 -0.004 0.000 2.204 97 E HA -0.127 4.222 4.350 -0.000 0.000 0.195 97 E C 1.729 178.321 176.600 -0.012 0.000 0.990 97 E CA 1.285 57.682 56.400 -0.005 0.000 0.821 97 E CB -0.115 29.591 29.700 0.010 0.000 0.750 97 E HN 0.461 nan 8.360 nan 0.000 0.477 98 A N 0.878 123.691 122.820 -0.011 0.000 1.898 98 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 98 A C 1.993 179.563 177.584 -0.024 0.000 1.181 98 A CA 1.234 53.260 52.037 -0.017 0.000 0.620 98 A CB -0.233 18.756 19.000 -0.018 0.000 0.819 98 A HN 0.073 nan 8.150 nan 0.000 0.442 99 R N -0.455 120.030 120.500 -0.025 0.000 2.092 99 R HA -0.044 4.296 4.340 -0.000 0.000 0.231 99 R C 2.466 178.751 176.300 -0.024 0.000 1.119 99 R CA 1.125 57.208 56.100 -0.028 0.000 0.970 99 R CB -0.468 29.814 30.300 -0.031 0.000 0.864 99 R HN 0.498 nan 8.270 nan 0.000 0.440 100 A N 1.475 124.281 122.820 -0.024 0.000 1.902 100 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 100 A C 2.390 179.955 177.584 -0.032 0.000 1.181 100 A CA 1.702 53.724 52.037 -0.026 0.000 0.623 100 A CB -0.563 18.421 19.000 -0.028 0.000 0.818 100 A HN 0.389 nan 8.150 nan 0.000 0.443 101 A N -0.634 122.163 122.820 -0.038 0.000 1.898 101 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 101 A C 2.228 179.794 177.584 -0.030 0.000 1.181 101 A CA 1.677 53.683 52.037 -0.052 0.000 0.620 101 A CB -0.925 18.043 19.000 -0.054 0.000 0.819 101 A HN 0.367 nan 8.150 nan 0.000 0.442 102 V N 0.017 119.922 119.914 -0.014 0.000 2.287 102 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 102 V C 2.659 178.785 176.094 0.053 0.000 1.053 102 V CA 2.351 64.657 62.300 0.010 0.000 1.027 102 V CB -0.793 31.026 31.823 -0.007 0.000 0.646 102 V HN 0.530 nan 8.190 nan 0.000 0.447 103 R N -0.276 120.245 120.500 0.036 0.000 2.091 103 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 103 R C 2.413 178.773 176.300 0.099 0.000 1.136 103 R CA 1.555 57.701 56.100 0.077 0.000 0.959 103 R CB -0.576 29.743 30.300 0.032 0.000 0.856 103 R HN 0.558 nan 8.270 nan 0.000 0.437 104 A N 0.892 123.729 122.820 0.028 0.000 1.902 104 A HA -0.109 4.210 4.320 -0.000 0.000 0.217 104 A C 2.321 179.911 177.584 0.011 0.000 1.181 104 A CA 1.681 53.714 52.037 -0.007 0.000 0.623 104 A CB -0.572 18.384 19.000 -0.074 0.000 0.818 104 A HN 0.419 nan 8.150 nan 0.000 0.443 105 A N -1.657 121.177 122.820 0.023 0.000 1.898 105 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 105 A C 2.141 179.792 177.584 0.111 0.000 1.181 105 A CA 1.597 53.653 52.037 0.032 0.000 0.620 105 A CB -0.780 18.230 19.000 0.016 0.000 0.819 105 A HN 0.692 nan 8.150 nan 0.000 0.442 106 Y N 0.723 121.052 120.300 0.049 0.000 2.181 106 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 106 Y C 2.242 178.240 175.900 0.163 0.000 1.146 106 Y CA 2.236 60.403 58.100 0.111 0.000 1.164 106 Y CB -0.218 38.281 38.460 0.065 0.000 0.982 106 Y HN 0.460 nan 8.280 nan 0.000 0.515 107 E N -0.441 119.815 120.200 0.093 0.000 2.152 107 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 107 E C 2.289 178.876 176.600 -0.022 0.000 0.983 107 E CA 0.728 57.132 56.400 0.006 0.000 0.818 107 E CB -0.223 29.517 29.700 0.066 0.000 0.758 107 E HN 0.558 nan 8.360 nan 0.000 0.467 108 A N 0.975 123.804 122.820 0.015 0.000 1.930 108 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 108 A C 1.916 179.558 177.584 0.096 0.000 1.175 108 A CA 0.840 52.893 52.037 0.026 0.000 0.627 108 A CB -0.636 18.354 19.000 -0.018 0.000 0.815 108 A HN 0.341 nan 8.150 nan 0.000 0.443 109 F N 1.062 120.978 119.950 -0.056 0.000 2.065 109 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 109 F C 2.372 178.159 175.800 -0.021 0.000 1.112 109 F CA 1.594 59.589 58.000 -0.007 0.000 1.212 109 F CB -1.041 37.896 39.000 -0.104 0.000 0.975 109 F HN 0.308 nan 8.300 nan 0.000 0.476 110 C N 0.985 120.064 119.300 -0.368 0.000 2.398 110 C HA -0.200 4.260 4.460 -0.000 0.000 0.282 110 C C 2.728 177.551 174.990 -0.277 0.000 1.275 110 C CA 1.512 60.273 59.018 -0.429 0.000 1.797 110 C CB -1.626 25.955 27.740 -0.265 0.000 1.991 110 C HN 0.498 nan 8.230 nan 0.000 0.505 111 R N -1.668 118.753 120.500 -0.132 0.000 2.103 111 R HA -0.014 4.326 4.340 -0.000 0.000 0.212 111 R C 2.339 178.648 176.300 0.014 0.000 1.107 111 R CA 0.714 56.785 56.100 -0.047 0.000 1.025 111 R CB -0.538 29.770 30.300 0.014 0.000 0.929 111 R HN 0.671 nan 8.270 nan 0.000 0.456 112 W N 4.444 125.667 121.300 -0.129 0.000 2.342 112 W HA -0.217 4.443 4.660 -0.000 0.000 0.297 112 W C 1.819 178.279 176.519 -0.099 0.000 1.213 112 W CA 1.709 59.012 57.345 -0.070 0.000 1.251 112 W CB -0.005 29.462 29.460 0.012 0.000 1.136 112 W HN 0.045 nan 8.180 nan 0.000 0.526 113 R N 0.621 121.016 120.500 -0.175 0.000 2.152 113 R HA -0.195 4.145 4.340 -0.000 0.000 0.232 113 R C 1.373 177.513 176.300 -0.267 0.000 1.117 113 R CA 1.873 57.798 56.100 -0.292 0.000 0.981 113 R CB -0.721 29.255 30.300 -0.539 0.000 0.870 113 R HN 0.060 nan 8.270 nan 0.000 0.451 114 E N 0.749 120.810 120.200 -0.231 0.000 2.371 114 E HA 0.104 4.454 4.350 -0.000 0.000 0.194 114 E C -0.048 176.444 176.600 -0.180 0.000 1.012 114 E CA 0.165 56.460 56.400 -0.175 0.000 0.860 114 E CB 0.381 30.002 29.700 -0.132 0.000 0.811 114 E HN 0.085 nan 8.360 nan 0.000 0.502 115 V N 2.045 121.808 119.914 -0.251 0.000 2.715 115 V HA 0.021 4.141 4.120 -0.000 0.000 0.299 115 V C 0.571 176.492 176.094 -0.289 0.000 1.054 115 V CA -0.158 61.980 62.300 -0.271 0.000 1.077 115 V CB 1.113 32.695 31.823 -0.402 0.000 0.972 115 V HN 0.272 nan 8.190 nan 0.000 0.484 116 S N 4.193 119.775 115.700 -0.197 0.000 2.573 116 S HA 0.281 4.751 4.470 -0.000 0.000 0.277 116 S C 1.331 175.814 174.600 -0.196 0.000 1.346 116 S CA -0.001 58.102 58.200 -0.162 0.000 1.034 116 S CB 1.213 64.352 63.200 -0.102 0.000 0.879 116 S HN 1.107 nan 8.310 nan 0.000 0.528 117 A N 2.417 125.142 122.820 -0.159 0.000 1.940 117 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 117 A C 2.167 179.683 177.584 -0.113 0.000 1.176 117 A CA 1.853 53.800 52.037 -0.150 0.000 0.631 117 A CB -0.879 18.050 19.000 -0.118 0.000 0.814 117 A HN 0.985 nan 8.150 nan 0.000 0.446 118 K N -0.366 119.982 120.400 -0.086 0.000 2.097 118 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 118 K C 1.992 178.566 176.600 -0.044 0.000 1.049 118 K CA 1.752 58.007 56.287 -0.054 0.000 0.933 118 K CB -0.100 32.376 32.500 -0.040 0.000 0.717 118 K HN 0.406 nan 8.250 nan 0.000 0.442 119 E N 0.888 121.047 120.200 -0.068 0.000 2.072 119 E HA -0.113 4.237 4.350 -0.000 0.000 0.190 119 E C 1.804 178.380 176.600 -0.039 0.000 0.982 119 E CA 1.409 57.781 56.400 -0.048 0.000 0.803 119 E CB 0.041 29.699 29.700 -0.069 0.000 0.755 119 E HN 0.253 nan 8.360 nan 0.000 0.453 120 R N -0.029 120.381 120.500 -0.150 0.000 2.115 120 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 120 R C 2.596 178.943 176.300 0.078 0.000 1.111 120 R CA 1.228 57.253 56.100 -0.124 0.000 0.976 120 R CB -0.510 29.537 30.300 -0.421 0.000 0.870 120 R HN 0.165 nan 8.270 nan 0.000 0.445 121 S N 0.371 116.084 115.700 0.021 0.000 2.368 121 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 121 S C 2.112 176.766 174.600 0.090 0.000 1.030 121 S CA 1.804 60.034 58.200 0.051 0.000 0.999 121 S CB -0.192 63.005 63.200 -0.004 0.000 0.844 121 S HN 0.327 nan 8.310 nan 0.000 0.459 122 S N 0.591 116.335 115.700 0.074 0.000 2.368 122 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 122 S C 1.894 176.579 174.600 0.141 0.000 1.030 122 S CA 1.341 59.596 58.200 0.091 0.000 0.999 122 S CB -0.594 62.644 63.200 0.063 0.000 0.844 122 S HN 0.590 nan 8.310 nan 0.000 0.459 123 L N 0.748 122.074 121.223 0.171 0.000 2.083 123 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 123 L C 2.474 179.518 176.870 0.289 0.000 1.083 123 L CA 1.036 56.006 54.840 0.217 0.000 0.752 123 L CB -0.478 41.752 42.059 0.284 0.000 0.899 123 L HN 0.347 nan 8.230 nan 0.000 0.433 124 L N -0.591 120.827 121.223 0.325 0.000 2.093 124 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 124 L C 2.804 179.884 176.870 0.351 0.000 1.085 124 L CA 1.105 56.179 54.840 0.390 0.000 0.755 124 L CB -0.391 41.860 42.059 0.321 0.000 0.904 124 L HN 0.239 nan 8.230 nan 0.000 0.435 125 R N 0.458 121.118 120.500 0.267 0.000 2.075 125 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 125 R C 2.275 178.768 176.300 0.322 0.000 1.126 125 R CA 1.234 57.505 56.100 0.285 0.000 0.963 125 R CB 0.048 30.465 30.300 0.196 0.000 0.858 125 R HN 0.219 nan 8.270 nan 0.000 0.435 126 K N -0.596 119.956 120.400 0.254 0.000 2.097 126 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 126 K C 1.762 178.524 176.600 0.270 0.000 1.049 126 K CA 1.413 57.824 56.287 0.207 0.000 0.933 126 K CB -0.298 32.292 32.500 0.150 0.000 0.717 126 K HN 0.283 nan 8.250 nan 0.000 0.442 127 W N 0.992 122.349 121.300 0.095 0.000 2.363 127 W HA -0.231 4.429 4.660 -0.000 0.000 0.296 127 W C 2.026 178.600 176.519 0.091 0.000 1.212 127 W CA 1.008 58.390 57.345 0.062 0.000 1.260 127 W CB -0.844 28.643 29.460 0.046 0.000 1.131 127 W HN 0.128 nan 8.180 nan 0.000 0.530 128 Y N 2.006 122.426 120.300 0.199 0.000 2.114 128 Y HA -0.256 4.294 4.550 0.000 0.000 0.284 128 Y C 2.234 178.183 175.900 0.082 0.000 1.143 128 Y CA 2.584 60.726 58.100 0.070 0.000 1.135 128 Y CB -1.141 37.376 38.460 0.094 0.000 0.980 128 Y HN -0.165 nan 8.280 nan 0.000 0.499 129 N N 0.757 119.362 118.700 -0.159 0.000 2.149 129 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 129 N C 1.956 177.375 175.510 -0.151 0.000 1.019 129 N CA 1.838 54.736 53.050 -0.253 0.000 0.857 129 N CB -0.581 37.889 38.487 -0.027 0.000 0.997 129 N HN 0.445 nan 8.380 nan 0.000 0.426 130 L N 0.419 121.636 121.223 -0.009 0.000 2.141 130 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 130 L C 2.438 179.306 176.870 -0.003 0.000 1.094 130 L CA 0.739 55.598 54.840 0.031 0.000 0.763 130 L CB -0.239 41.894 42.059 0.123 0.000 0.908 130 L HN 0.146 nan 8.230 nan 0.000 0.437 131 M N -0.785 118.795 119.600 -0.034 0.000 2.086 131 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 131 M C 2.266 178.489 176.300 -0.129 0.000 1.067 131 M CA 1.572 56.831 55.300 -0.068 0.000 1.116 131 M CB -0.241 32.301 32.600 -0.097 0.000 1.348 131 M HN 0.163 nan 8.290 nan 0.000 0.407 132 I N 0.432 120.851 120.570 -0.253 0.000 2.226 132 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 132 I C 2.245 178.287 176.117 -0.125 0.000 1.100 132 I CA 1.739 62.898 61.300 -0.235 0.000 1.374 132 I CB -1.382 36.401 38.000 -0.361 0.000 1.057 132 I HN 0.437 nan 8.210 nan 0.000 0.413 133 Q N 0.306 120.044 119.800 -0.104 0.000 2.226 133 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 133 Q C 1.054 177.038 176.000 -0.026 0.000 0.975 133 Q CA 1.008 56.780 55.803 -0.051 0.000 0.866 133 Q CB -0.021 28.697 28.738 -0.033 0.000 0.915 133 Q HN 0.548 nan 8.270 nan 0.000 0.440 134 N N 0.236 118.923 118.700 -0.022 0.000 2.235 134 N HA 0.023 4.763 4.740 -0.000 0.000 0.231 134 N C 0.682 176.194 175.510 0.003 0.000 1.177 134 N CA 0.055 53.105 53.050 -0.000 0.000 0.874 134 N CB 0.552 39.047 38.487 0.013 0.000 1.097 134 N HN 0.310 nan 8.380 nan 0.000 0.518 135 K N 0.573 120.968 120.400 -0.010 0.000 2.160 135 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 135 K C 0.684 177.319 176.600 0.058 0.000 1.047 135 K CA 1.338 57.628 56.287 0.006 0.000 0.930 135 K CB 0.060 32.551 32.500 -0.014 0.000 0.720 135 K HN -0.069 nan 8.250 nan 0.000 0.450 136 D N 1.494 121.945 120.400 0.085 0.000 2.117 136 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 136 D C 1.544 177.881 176.300 0.062 0.000 0.982 136 D CA 1.179 55.265 54.000 0.143 0.000 0.828 136 D CB -0.230 40.657 40.800 0.145 0.000 0.967 136 D HN 0.296 nan 8.370 nan 0.000 0.464 137 D N 0.586 121.011 120.400 0.042 0.000 2.178 137 D HA -0.054 4.586 4.640 -0.000 0.000 0.202 137 D C 2.369 178.680 176.300 0.019 0.000 0.974 137 D CA 0.234 54.251 54.000 0.028 0.000 0.841 137 D CB -0.191 40.619 40.800 0.017 0.000 0.953 137 D HN 0.226 nan 8.370 nan 0.000 0.478 138 L N 0.567 121.799 121.223 0.014 0.000 2.141 138 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 138 L C 2.439 179.301 176.870 -0.013 0.000 1.094 138 L CA 0.900 55.749 54.840 0.015 0.000 0.763 138 L CB -0.285 41.783 42.059 0.015 0.000 0.908 138 L HN -0.019 nan 8.230 nan 0.000 0.437 139 A N -0.007 122.771 122.820 -0.071 0.000 1.929 139 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 139 A C 2.357 179.845 177.584 -0.159 0.000 1.176 139 A CA 0.993 52.913 52.037 -0.195 0.000 0.628 139 A CB -0.330 18.351 19.000 -0.532 0.000 0.816 139 A HN 0.286 nan 8.150 nan 0.000 0.444 140 R N -0.451 120.017 120.500 -0.053 0.000 2.096 140 R HA -0.004 4.336 4.340 -0.000 0.000 0.235 140 R C 1.896 178.270 176.300 0.124 0.000 1.127 140 R CA 1.442 57.605 56.100 0.105 0.000 0.968 140 R CB -0.434 29.997 30.300 0.220 0.000 0.861 140 R HN 0.552 nan 8.270 nan 0.000 0.440 141 I N 0.628 121.239 120.570 0.068 0.000 2.226 141 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 141 I C 2.246 178.421 176.117 0.096 0.000 1.100 141 I CA 1.364 62.712 61.300 0.080 0.000 1.374 141 I CB -0.231 37.814 38.000 0.074 0.000 1.057 141 I HN 0.148 nan 8.210 nan 0.000 0.413 142 I N 0.281 120.879 120.570 0.046 0.000 2.179 142 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 142 I C 2.549 178.662 176.117 -0.007 0.000 1.088 142 I CA 1.626 62.948 61.300 0.037 0.000 1.357 142 I CB -0.611 37.390 38.000 0.002 0.000 1.051 142 I HN 0.225 nan 8.210 nan 0.000 0.409 143 T N 0.733 115.216 114.554 -0.119 0.000 2.788 143 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 143 T C 2.018 176.618 174.700 -0.166 0.000 1.044 143 T CA 1.433 63.367 62.100 -0.276 0.000 1.139 143 T CB -0.250 68.207 68.868 -0.686 0.000 0.867 143 T HN 0.485 nan 8.240 nan 0.000 0.454 144 A N 1.999 124.852 122.820 0.054 0.000 1.902 144 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 144 A C 2.191 179.884 177.584 0.182 0.000 1.181 144 A CA 1.871 54.070 52.037 0.270 0.000 0.623 144 A CB -0.427 18.757 19.000 0.308 0.000 0.818 144 A HN 0.780 nan 8.150 nan 0.000 0.443 145 E N -0.573 119.735 120.200 0.179 0.000 2.216 145 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 145 E C 1.846 178.527 176.600 0.134 0.000 0.973 145 E CA 1.119 57.639 56.400 0.200 0.000 0.851 145 E CB -0.309 29.575 29.700 0.307 0.000 0.804 145 E HN 0.593 nan 8.360 nan 0.000 0.477 146 S N -0.403 115.373 115.700 0.126 0.000 2.492 146 S HA 0.307 4.777 4.470 -0.000 0.000 0.218 146 S C 1.823 176.472 174.600 0.081 0.000 1.016 146 S CA 0.426 58.728 58.200 0.170 0.000 0.916 146 S CB 0.379 63.704 63.200 0.208 0.000 0.791 146 S HN 0.573 nan 8.310 nan 0.000 0.513 147 G N 2.288 111.098 108.800 0.015 0.000 2.234 147 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.260 147 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.260 147 G C 0.072 174.950 174.900 -0.036 0.000 0.987 147 G CA 0.402 45.485 45.100 -0.028 0.000 0.625 147 G HN 1.008 nan 8.290 nan 0.000 0.532 148 K N 1.085 121.475 120.400 -0.018 0.000 2.414 148 K HA 0.424 4.744 4.320 -0.000 0.000 0.272 148 K C -2.485 174.070 176.600 -0.074 0.000 0.993 148 K CA -1.109 55.166 56.287 -0.020 0.000 0.964 148 K CB 0.442 32.927 32.500 -0.025 0.000 0.925 148 K HN 0.104 nan 8.250 nan 0.000 0.487 149 P HA -0.102 nan 4.420 nan 0.000 0.266 149 P C 0.776 178.027 177.300 -0.082 0.000 1.193 149 P CA -0.017 63.053 63.100 -0.050 0.000 0.770 149 P CB 0.452 32.163 31.700 0.019 0.000 0.836 150 L N 1.876 123.028 121.223 -0.118 0.000 2.021 150 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 150 L C 2.215 179.113 176.870 0.046 0.000 1.074 150 L CA 1.860 56.632 54.840 -0.112 0.000 0.760 150 L CB -0.511 41.538 42.059 -0.017 0.000 0.889 150 L HN 0.456 nan 8.230 nan 0.000 0.433 151 K N 0.150 120.634 120.400 0.139 0.000 2.044 151 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 151 K C 1.849 178.535 176.600 0.143 0.000 1.049 151 K CA 1.715 58.111 56.287 0.183 0.000 0.927 151 K CB -0.525 32.042 32.500 0.113 0.000 0.713 151 K HN 0.505 nan 8.250 nan 0.000 0.443 152 E N 0.397 120.651 120.200 0.090 0.000 2.110 152 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 152 E C 2.045 178.691 176.600 0.078 0.000 0.988 152 E CA 1.032 57.489 56.400 0.095 0.000 0.804 152 E CB -0.137 29.607 29.700 0.074 0.000 0.745 152 E HN 0.325 nan 8.360 nan 0.000 0.458 153 A N 1.517 124.335 122.820 -0.003 0.000 1.902 153 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 153 A C 1.889 179.440 177.584 -0.055 0.000 1.181 153 A CA 1.311 53.310 52.037 -0.064 0.000 0.623 153 A CB -0.654 18.233 19.000 -0.188 0.000 0.818 153 A HN 0.258 nan 8.150 nan 0.000 0.443 154 H N -0.612 118.463 119.070 0.007 0.000 2.387 154 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 154 H C 2.460 177.776 175.328 -0.019 0.000 1.090 154 H CA 1.367 57.408 56.048 -0.011 0.000 1.332 154 H CB -0.614 29.140 29.762 -0.013 0.000 1.386 154 H HN 0.513 nan 8.280 nan 0.000 0.516 155 G N 0.503 109.391 108.800 0.148 0.000 2.418 155 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 155 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 155 G C 1.662 176.658 174.900 0.160 0.000 1.158 155 G CA 0.792 45.961 45.100 0.114 0.000 0.771 155 G HN 0.472 nan 8.290 nan 0.000 0.545 156 E N -0.018 120.297 120.200 0.193 0.000 2.072 156 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 156 E C 2.450 179.133 176.600 0.139 0.000 0.985 156 E CA 0.624 57.166 56.400 0.236 0.000 0.801 156 E CB -0.110 29.718 29.700 0.214 0.000 0.750 156 E HN 0.271 nan 8.360 nan 0.000 0.452 157 I N 1.431 122.029 120.570 0.048 0.000 2.208 157 I HA -0.286 3.883 4.170 -0.000 0.000 0.245 157 I C 2.463 178.506 176.117 -0.124 0.000 1.097 157 I CA 1.158 62.449 61.300 -0.015 0.000 1.363 157 I CB -1.037 36.947 38.000 -0.026 0.000 1.051 157 I HN 0.329 nan 8.210 nan 0.000 0.413 158 L N -0.851 120.233 121.223 -0.231 0.000 1.989 158 L HA -0.284 4.056 4.340 -0.000 0.000 0.211 158 L C 2.713 179.165 176.870 -0.696 0.000 1.071 158 L CA 1.765 56.237 54.840 -0.613 0.000 0.749 158 L CB -0.863 40.832 42.059 -0.607 0.000 0.890 158 L HN 0.159 nan 8.230 nan 0.000 0.431 159 Y N -0.777 119.395 120.300 -0.214 0.000 2.165 159 Y HA -0.324 4.226 4.550 0.000 0.000 0.286 159 Y C 3.120 179.018 175.900 -0.004 0.000 1.155 159 Y CA 1.686 59.721 58.100 -0.109 0.000 1.164 159 Y CB -0.328 38.107 38.460 -0.041 0.000 0.978 159 Y HN 0.158 nan 8.280 nan 0.000 0.513 160 S N -0.293 115.544 115.700 0.229 0.000 2.359 160 S HA -0.270 4.200 4.470 -0.000 0.000 0.224 160 S C 2.268 176.965 174.600 0.160 0.000 1.035 160 S CA 1.264 59.614 58.200 0.249 0.000 1.018 160 S CB -0.611 62.653 63.200 0.107 0.000 0.876 160 S HN 0.476 nan 8.310 nan 0.000 0.448 161 A N 0.605 123.436 122.820 0.018 0.000 1.877 161 A HA 0.022 4.341 4.320 -0.000 0.000 0.216 161 A C 1.976 179.726 177.584 0.276 0.000 1.186 161 A CA 1.503 53.608 52.037 0.114 0.000 0.620 161 A CB -1.204 17.791 19.000 -0.010 0.000 0.822 161 A HN 0.685 nan 8.150 nan 0.000 0.443 162 F N -1.635 118.366 119.950 0.085 0.000 2.250 162 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 162 F C 2.062 177.779 175.800 -0.138 0.000 1.077 162 F CA 0.606 58.531 58.000 -0.126 0.000 1.348 162 F CB -0.349 38.510 39.000 -0.235 0.000 1.040 162 F HN 0.236 nan 8.300 nan 0.000 0.509 163 F N 0.057 120.138 119.950 0.218 0.000 2.163 163 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 163 F C 2.186 178.146 175.800 0.267 0.000 1.094 163 F CA 0.823 58.957 58.000 0.223 0.000 1.290 163 F CB -0.415 38.712 39.000 0.211 0.000 1.017 163 F HN -0.156 nan 8.300 nan 0.000 0.483 164 L N -0.094 121.314 121.223 0.308 0.000 2.046 164 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 164 L C 2.472 179.429 176.870 0.146 0.000 1.077 164 L CA 1.701 56.648 54.840 0.178 0.000 0.747 164 L CB -0.695 41.357 42.059 -0.010 0.000 0.896 164 L HN 0.233 nan 8.230 nan 0.000 0.432 165 E N -0.013 120.164 120.200 -0.039 0.000 2.047 165 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 165 E C 2.175 178.707 176.600 -0.113 0.000 0.987 165 E CA 1.303 57.526 56.400 -0.294 0.000 0.799 165 E CB -0.289 28.854 29.700 -0.929 0.000 0.752 165 E HN 0.551 nan 8.360 nan 0.000 0.449 166 W N 0.622 121.785 121.300 -0.229 0.000 2.335 166 W HA -0.239 4.421 4.660 -0.000 0.000 0.311 166 W C 1.481 177.825 176.519 -0.291 0.000 1.213 166 W CA 1.261 58.419 57.345 -0.311 0.000 1.274 166 W CB -0.571 28.623 29.460 -0.443 0.000 1.148 166 W HN 0.113 nan 8.180 nan 0.000 0.498 167 F N 1.085 121.081 119.950 0.078 0.000 2.407 167 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 167 F C 2.987 178.736 175.800 -0.086 0.000 1.097 167 F CA 1.546 59.530 58.000 -0.027 0.000 1.422 167 F CB -0.915 38.170 39.000 0.141 0.000 1.067 167 F HN -0.172 nan 8.300 nan 0.000 0.539 168 S N 0.349 116.097 115.700 0.079 0.000 2.370 168 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 168 S C 1.890 176.446 174.600 -0.073 0.000 1.033 168 S CA 1.809 60.036 58.200 0.046 0.000 1.011 168 S CB -0.254 62.974 63.200 0.046 0.000 0.852 168 S HN 0.500 nan 8.310 nan 0.000 0.457 169 E N 0.058 120.129 120.200 -0.214 0.000 2.216 169 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 169 E C 2.176 178.569 176.600 -0.345 0.000 0.988 169 E CA 0.800 57.023 56.400 -0.296 0.000 0.834 169 E CB -0.027 29.425 29.700 -0.413 0.000 0.772 169 E HN 0.518 nan 8.360 nan 0.000 0.479 170 E N 0.698 120.655 120.200 -0.405 0.000 2.152 170 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 170 E C 2.083 178.588 176.600 -0.158 0.000 0.983 170 E CA 0.693 56.907 56.400 -0.311 0.000 0.818 170 E CB -0.093 29.488 29.700 -0.199 0.000 0.758 170 E HN 0.211 nan 8.360 nan 0.000 0.467 171 A N 1.567 124.338 122.820 -0.083 0.000 1.948 171 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 171 A C 2.009 179.520 177.584 -0.121 0.000 1.177 171 A CA 1.452 53.453 52.037 -0.059 0.000 0.636 171 A CB -0.438 18.552 19.000 -0.017 0.000 0.815 171 A HN 0.127 nan 8.150 nan 0.000 0.449 172 R N -1.169 119.242 120.500 -0.148 0.000 2.334 172 R HA 0.160 4.500 4.340 -0.000 0.000 0.220 172 R C 0.534 176.668 176.300 -0.276 0.000 0.917 172 R CA 0.181 56.185 56.100 -0.160 0.000 1.073 172 R CB 0.136 30.372 30.300 -0.108 0.000 1.056 172 R HN 0.389 nan 8.270 nan 0.000 0.506 173 R N 0.438 120.703 120.500 -0.392 0.000 2.700 173 R HA 0.195 4.535 4.340 -0.000 0.000 0.377 173 R C -0.620 175.120 176.300 -0.934 0.000 1.130 173 R CA -0.169 55.449 56.100 -0.805 0.000 1.055 173 R CB 1.275 31.283 30.300 -0.488 0.000 1.387 173 R HN -0.097 nan 8.270 nan 0.000 0.580 174 V N 2.326 121.909 119.914 -0.553 0.000 2.370 174 V HA 0.125 4.245 4.120 -0.000 0.000 0.257 174 V C -0.325 175.607 176.094 -0.270 0.000 1.064 174 V CA -0.041 62.081 62.300 -0.297 0.000 0.975 174 V CB -0.387 31.365 31.823 -0.119 0.000 1.067 174 V HN 0.237 nan 8.190 nan 0.000 0.485 175 Y N 2.820 123.129 120.300 0.015 0.000 2.330 175 Y HA 0.645 5.195 4.550 -0.000 0.000 0.336 175 Y C 1.064 176.981 175.900 0.028 0.000 1.036 175 Y CA -0.596 57.513 58.100 0.015 0.000 1.125 175 Y CB 1.674 40.138 38.460 0.006 0.000 1.194 175 Y HN 0.660 nan 8.280 nan 0.000 0.469 176 G N 1.672 110.598 108.800 0.211 0.000 2.535 176 G HA2 0.417 4.377 3.960 -0.000 0.000 0.303 176 G HA3 0.417 4.377 3.960 -0.000 0.000 0.303 176 G C -1.019 173.952 174.900 0.118 0.000 1.237 176 G CA -0.664 44.519 45.100 0.139 0.000 0.986 176 G HN 0.601 nan 8.290 nan 0.000 0.494 177 D N -0.965 119.495 120.400 0.099 0.000 2.477 177 D HA 0.458 5.098 4.640 -0.000 0.000 0.234 177 D C -0.701 175.650 176.300 0.085 0.000 1.048 177 D CA -0.222 53.826 54.000 0.079 0.000 0.959 177 D CB 2.644 43.486 40.800 0.070 0.000 1.408 177 D HN 0.149 nan 8.370 nan 0.000 0.496 178 I N 1.597 122.213 120.570 0.077 0.000 2.439 178 I HA 0.360 4.530 4.170 -0.000 0.000 0.285 178 I C -0.463 175.725 176.117 0.119 0.000 1.021 178 I CA -0.565 60.791 61.300 0.092 0.000 1.091 178 I CB 1.555 39.598 38.000 0.072 0.000 1.242 178 I HN 0.104 nan 8.210 nan 0.000 0.439 179 I N 4.831 125.479 120.570 0.131 0.000 2.530 179 I HA 0.324 4.494 4.170 -0.000 0.000 0.297 179 I C -0.415 175.827 176.117 0.210 0.000 1.011 179 I CA -0.884 60.505 61.300 0.148 0.000 1.107 179 I CB 1.527 39.569 38.000 0.069 0.000 1.285 179 I HN 0.433 nan 8.210 nan 0.000 0.436 180 H N 2.976 122.052 119.070 0.011 0.000 2.722 180 H HA 0.369 4.925 4.556 -0.000 0.000 0.328 180 H C -0.077 175.258 175.328 0.012 0.000 1.067 180 H CA -0.266 55.789 56.048 0.012 0.000 1.447 180 H CB 0.806 30.570 29.762 0.004 0.000 1.469 180 H HN 0.573 nan 8.280 nan 0.000 0.544 181 T N 0.661 115.277 114.554 0.102 0.000 2.893 181 T HA 0.307 4.657 4.350 -0.000 0.000 0.293 181 T C -1.624 173.106 174.700 0.051 0.000 1.027 181 T CA -1.895 60.247 62.100 0.071 0.000 0.988 181 T CB 1.760 70.671 68.868 0.072 0.000 1.043 181 T HN 0.219 nan 8.240 nan 0.000 0.461 182 P HA 0.033 nan 4.420 nan 0.000 0.216 182 P C 0.571 177.885 177.300 0.024 0.000 1.157 182 P CA 1.044 64.165 63.100 0.034 0.000 0.880 182 P CB -0.378 31.340 31.700 0.030 0.000 0.791 183 A N 0.045 122.882 122.820 0.028 0.000 2.545 183 A HA -0.019 4.301 4.320 -0.000 0.000 0.253 183 A C 0.984 178.577 177.584 0.014 0.000 1.074 183 A CA 0.229 52.280 52.037 0.024 0.000 0.760 183 A CB -0.118 18.903 19.000 0.035 0.000 1.005 183 A HN 0.045 nan 8.150 nan 0.000 0.506 184 K N 1.515 121.919 120.400 0.006 0.000 2.555 184 K HA -0.039 4.281 4.320 -0.000 0.000 0.193 184 K C 1.001 177.602 176.600 0.001 0.000 1.032 184 K CA 1.079 57.363 56.287 -0.006 0.000 1.004 184 K CB 0.085 32.581 32.500 -0.007 0.000 0.804 184 K HN 0.845 nan 8.250 nan 0.000 0.496 185 D N -0.005 120.403 120.400 0.014 0.000 2.234 185 D HA -0.037 4.603 4.640 -0.000 0.000 0.205 185 D C -0.100 176.224 176.300 0.040 0.000 0.962 185 D CA 0.876 54.891 54.000 0.025 0.000 0.855 185 D CB 0.457 41.274 40.800 0.029 0.000 0.951 185 D HN 0.012 nan 8.370 nan 0.000 0.500 186 R N -1.196 119.330 120.500 0.044 0.000 2.846 186 R HA 0.662 5.002 4.340 -0.000 0.000 0.263 186 R C -0.918 175.413 176.300 0.051 0.000 1.080 186 R CA -0.869 55.273 56.100 0.070 0.000 0.961 186 R CB 0.825 31.183 30.300 0.097 0.000 1.231 186 R HN -0.255 nan 8.270 nan 0.000 0.465 187 R N -0.156 120.393 120.500 0.081 0.000 2.744 187 R HA 0.781 5.121 4.340 -0.000 0.000 0.279 187 R C -1.175 175.211 176.300 0.144 0.000 0.977 187 R CA -1.144 54.991 56.100 0.059 0.000 0.906 187 R CB 2.240 32.532 30.300 -0.012 0.000 1.197 187 R HN 0.790 nan 8.270 nan 0.000 0.463 188 A N 3.660 126.575 122.820 0.158 0.000 2.287 188 A HA 0.704 5.024 4.320 -0.000 0.000 0.317 188 A C -0.579 177.137 177.584 0.221 0.000 1.220 188 A CA -0.597 51.601 52.037 0.269 0.000 0.835 188 A CB 0.620 19.778 19.000 0.263 0.000 1.180 188 A HN 0.526 nan 8.150 nan 0.000 0.500 189 L N 2.386 123.760 121.223 0.253 0.000 2.342 189 L HA 0.710 5.050 4.340 -0.000 0.000 0.271 189 L C -0.877 176.129 176.870 0.225 0.000 1.008 189 L CA -1.091 53.863 54.840 0.191 0.000 0.818 189 L CB 2.152 44.303 42.059 0.154 0.000 1.296 189 L HN 0.379 nan 8.230 nan 0.000 0.427 190 V N 3.748 123.762 119.914 0.167 0.000 2.443 190 V HA 0.456 4.576 4.120 -0.000 0.000 0.293 190 V C -0.116 176.052 176.094 0.124 0.000 1.021 190 V CA -0.364 62.032 62.300 0.160 0.000 0.848 190 V CB 1.925 33.825 31.823 0.129 0.000 0.998 190 V HN 0.510 nan 8.190 nan 0.000 0.424 191 L N 4.235 125.526 121.223 0.115 0.000 2.334 191 L HA 0.672 5.012 4.340 -0.000 0.000 0.272 191 L C -0.146 176.778 176.870 0.090 0.000 1.020 191 L CA -0.814 54.082 54.840 0.093 0.000 0.812 191 L CB 1.862 43.967 42.059 0.077 0.000 1.264 191 L HN 0.490 nan 8.230 nan 0.000 0.439 192 K N 2.100 122.548 120.400 0.081 0.000 2.376 192 K HA 0.547 4.867 4.320 -0.000 0.000 0.257 192 K C -1.249 175.396 176.600 0.075 0.000 0.939 192 K CA -0.639 55.696 56.287 0.080 0.000 0.809 192 K CB 2.203 34.749 32.500 0.077 0.000 1.121 192 K HN 0.494 nan 8.250 nan 0.000 0.425 193 Q N 2.328 122.181 119.800 0.089 0.000 2.423 193 Q HA 0.401 4.741 4.340 -0.000 0.000 0.278 193 Q C -2.580 173.506 176.000 0.142 0.000 1.097 193 Q CA -2.391 53.473 55.803 0.102 0.000 0.809 193 Q CB 2.477 31.274 28.738 0.098 0.000 1.391 193 Q HN 0.362 nan 8.270 nan 0.000 0.428 194 P HA 0.022 nan 4.420 nan 0.000 0.268 194 P C 0.208 177.652 177.300 0.240 0.000 1.205 194 P CA 0.314 63.565 63.100 0.253 0.000 0.771 194 P CB 0.968 32.891 31.700 0.372 0.000 0.858 195 I N 0.988 121.645 120.570 0.146 0.000 2.226 195 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 195 I C 1.658 177.702 176.117 -0.122 0.000 1.100 195 I CA 2.103 63.436 61.300 0.054 0.000 1.374 195 I CB -0.622 37.404 38.000 0.042 0.000 1.057 195 I HN 0.690 nan 8.210 nan 0.000 0.413 196 G N -0.261 108.284 108.800 -0.425 0.000 2.217 196 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.126 196 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.126 196 G C -0.808 173.625 174.900 -0.779 0.000 1.293 196 G CA -0.405 43.895 45.100 -1.332 0.000 1.219 196 G HN -0.115 nan 8.290 nan 0.000 0.477 197 V N 1.821 121.472 119.914 -0.439 0.000 2.546 197 V HA 0.636 4.756 4.120 -0.000 0.000 0.284 197 V C 0.807 176.874 176.094 -0.044 0.000 1.050 197 V CA 0.418 62.626 62.300 -0.153 0.000 0.981 197 V CB 0.837 32.650 31.823 -0.016 0.000 0.990 197 V HN 1.746 nan 8.190 nan 0.000 0.474 198 A N 4.104 126.935 122.820 0.017 0.000 2.343 198 A HA 0.864 5.184 4.320 -0.000 0.000 0.316 198 A C -0.026 177.600 177.584 0.071 0.000 1.104 198 A CA -0.461 51.628 52.037 0.087 0.000 0.768 198 A CB 1.354 20.493 19.000 0.231 0.000 1.213 198 A HN 1.222 nan 8.150 nan 0.000 0.456 199 A N 2.005 124.866 122.820 0.069 0.000 2.276 199 A HA 0.592 4.912 4.320 -0.000 0.000 0.300 199 A C -0.438 177.203 177.584 0.095 0.000 1.235 199 A CA -0.276 51.798 52.037 0.061 0.000 0.867 199 A CB 0.225 19.254 19.000 0.049 0.000 1.137 199 A HN 1.046 nan 8.150 nan 0.000 0.527 200 V N 4.850 124.814 119.914 0.084 0.000 2.384 200 V HA 0.402 4.522 4.120 -0.000 0.000 0.287 200 V C -0.339 175.814 176.094 0.099 0.000 1.020 200 V CA -0.112 62.246 62.300 0.098 0.000 0.850 200 V CB 1.114 32.986 31.823 0.080 0.000 0.987 200 V HN 0.742 nan 8.190 nan 0.000 0.436 201 I N 5.087 125.738 120.570 0.136 0.000 2.439 201 I HA 0.516 4.686 4.170 -0.000 0.000 0.285 201 I C 0.098 176.240 176.117 0.040 0.000 1.021 201 I CA -0.264 61.134 61.300 0.164 0.000 1.091 201 I CB 2.258 40.480 38.000 0.370 0.000 1.242 201 I HN 0.677 nan 8.210 nan 0.000 0.439 202 T N 3.640 118.199 114.554 0.008 0.000 2.908 202 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 202 T C -2.687 171.980 174.700 -0.055 0.000 1.034 202 T CA -2.025 60.030 62.100 -0.074 0.000 1.010 202 T CB 2.305 71.154 68.868 -0.031 0.000 1.068 202 T HN 0.248 nan 8.240 nan 0.000 0.481 203 P HA 0.213 nan 4.420 nan 0.000 0.282 203 P C 0.741 178.001 177.300 -0.065 0.000 1.287 203 P CA -0.779 62.268 63.100 -0.089 0.000 0.792 203 P CB 0.962 32.531 31.700 -0.219 0.000 1.163 204 W N 0.584 121.856 121.300 -0.046 0.000 2.640 204 W HA -0.017 4.643 4.660 -0.000 0.000 0.268 204 W C 0.802 177.236 176.519 -0.143 0.000 1.263 204 W CA 0.389 57.698 57.345 -0.060 0.000 1.344 204 W CB -2.266 27.165 29.460 -0.048 0.000 1.093 204 W HN 0.172 nan 8.180 nan 0.000 0.603 205 N N 1.614 119.303 118.700 -1.685 0.000 2.037 205 N HA -0.230 4.510 4.740 -0.000 0.000 0.196 205 N C -0.190 174.518 175.510 -1.336 0.000 1.034 205 N CA 2.141 54.037 53.050 -1.923 0.000 0.861 205 N CB -0.851 36.647 38.487 -1.649 0.000 1.039 205 N HN 0.079 nan 8.380 nan 0.000 0.427 206 F N -0.454 119.257 119.950 -0.398 0.000 2.660 206 F HA 0.344 4.871 4.527 -0.000 0.000 0.352 206 F C -1.798 173.928 175.800 -0.123 0.000 1.257 206 F CA -2.054 55.822 58.000 -0.206 0.000 1.200 206 F CB 1.577 40.457 39.000 -0.200 0.000 1.473 206 F HN -0.075 nan 8.300 nan 0.000 0.561 207 P HA -0.172 nan 4.420 nan 0.000 0.227 207 P C 1.152 178.508 177.300 0.092 0.000 1.145 207 P CA 1.270 64.415 63.100 0.075 0.000 0.769 207 P CB 0.752 32.516 31.700 0.107 0.000 0.769 208 S N -1.269 114.488 115.700 0.095 0.000 3.039 208 S HA 0.317 4.787 4.470 -0.000 0.000 0.251 208 S C 2.030 176.665 174.600 0.059 0.000 1.064 208 S CA 0.522 58.771 58.200 0.082 0.000 0.822 208 S CB -0.766 62.481 63.200 0.079 0.000 0.802 208 S HN 0.072 nan 8.310 nan 0.000 0.519 209 A N 2.389 125.261 122.820 0.088 0.000 1.972 209 A HA 0.003 4.323 4.320 -0.000 0.000 0.219 209 A C 2.105 179.617 177.584 -0.121 0.000 1.169 209 A CA 1.427 53.502 52.037 0.063 0.000 0.635 209 A CB -0.598 18.471 19.000 0.114 0.000 0.810 209 A HN 0.524 nan 8.150 nan 0.000 0.446 210 M N -0.694 118.854 119.600 -0.088 0.000 2.296 210 M HA 0.008 4.488 4.480 -0.000 0.000 0.265 210 M C 1.929 178.148 176.300 -0.135 0.000 1.064 210 M CA 1.103 56.311 55.300 -0.153 0.000 1.109 210 M CB -0.970 31.579 32.600 -0.086 0.000 1.396 210 M HN 0.458 nan 8.290 nan 0.000 0.430 211 I N -0.483 120.048 120.570 -0.064 0.000 2.339 211 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 211 I C 2.370 178.444 176.117 -0.071 0.000 1.096 211 I CA 1.521 62.812 61.300 -0.016 0.000 1.408 211 I CB -0.563 37.487 38.000 0.083 0.000 1.092 211 I HN 0.302 nan 8.210 nan 0.000 0.423 212 T N 0.094 114.580 114.554 -0.112 0.000 2.788 212 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 212 T C 1.928 176.528 174.700 -0.166 0.000 1.044 212 T CA 1.300 63.313 62.100 -0.145 0.000 1.139 212 T CB -0.606 68.216 68.868 -0.077 0.000 0.867 212 T HN 0.422 nan 8.240 nan 0.000 0.454 213 R N 1.713 121.939 120.500 -0.458 0.000 2.120 213 R HA 0.030 4.370 4.340 -0.000 0.000 0.234 213 R C 2.210 178.308 176.300 -0.336 0.000 1.123 213 R CA 1.204 56.879 56.100 -0.709 0.000 0.975 213 R CB -0.305 29.101 30.300 -1.491 0.000 0.866 213 R HN 0.355 nan 8.270 nan 0.000 0.446 214 K N 0.593 120.839 120.400 -0.257 0.000 2.078 214 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 214 K C 2.076 178.507 176.600 -0.282 0.000 1.043 214 K CA 1.011 57.204 56.287 -0.157 0.000 0.960 214 K CB 0.024 32.505 32.500 -0.033 0.000 0.761 214 K HN -0.067 nan 8.250 nan 0.000 0.448 215 V N 1.336 121.149 119.914 -0.168 0.000 2.490 215 V HA -0.180 3.940 4.120 -0.000 0.000 0.250 215 V C 2.270 178.263 176.094 -0.168 0.000 1.061 215 V CA 2.187 64.424 62.300 -0.106 0.000 1.064 215 V CB -0.893 30.998 31.823 0.113 0.000 0.670 215 V HN 0.536 nan 8.190 nan 0.000 0.461 216 G N -0.342 108.332 108.800 -0.210 0.000 2.421 216 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 216 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 216 G C 1.783 176.418 174.900 -0.442 0.000 1.171 216 G CA 1.003 46.033 45.100 -0.116 0.000 0.775 216 G HN 0.592 nan 8.290 nan 0.000 0.543 217 A N 1.242 123.361 122.820 -1.169 0.000 1.877 217 A HA 0.258 4.578 4.320 -0.000 0.000 0.216 217 A C 2.846 180.022 177.584 -0.680 0.000 1.186 217 A CA 2.352 53.666 52.037 -1.205 0.000 0.620 217 A CB -0.929 17.436 19.000 -1.058 0.000 0.822 217 A HN 0.816 nan 8.150 nan 0.000 0.443 218 A N -0.527 121.679 122.820 -1.023 0.000 1.865 218 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 218 A C 2.037 179.499 177.584 -0.204 0.000 1.191 218 A CA 1.912 53.376 52.037 -0.954 0.000 0.623 218 A CB -0.671 17.821 19.000 -0.846 0.000 0.826 218 A HN 0.413 nan 8.150 nan 0.000 0.444 219 L N -0.490 120.715 121.223 -0.030 0.000 2.093 219 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 219 L C 2.969 180.060 176.870 0.369 0.000 1.085 219 L CA 1.772 56.807 54.840 0.326 0.000 0.755 219 L CB -0.894 41.370 42.059 0.343 0.000 0.904 219 L HN 0.402 nan 8.230 nan 0.000 0.435 220 A N -0.712 122.211 122.820 0.172 0.000 1.972 220 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 220 A C 2.421 180.061 177.584 0.094 0.000 1.169 220 A CA 1.606 53.731 52.037 0.146 0.000 0.635 220 A CB -0.747 18.357 19.000 0.173 0.000 0.810 220 A HN 0.368 nan 8.150 nan 0.000 0.446 221 A N -2.113 120.765 122.820 0.096 0.000 2.119 221 A HA 0.383 4.703 4.320 -0.000 0.000 0.216 221 A C 1.828 179.490 177.584 0.131 0.000 1.152 221 A CA 1.478 53.583 52.037 0.114 0.000 0.708 221 A CB -0.639 18.461 19.000 0.168 0.000 0.805 221 A HN 1.857 nan 8.150 nan 0.000 0.460 222 G N -2.647 106.271 108.800 0.198 0.000 2.154 222 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.186 222 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.186 222 G C 0.123 175.371 174.900 0.580 0.000 1.000 222 G CA -0.128 45.097 45.100 0.209 0.000 0.664 222 G HN 0.558 nan 8.290 nan 0.000 0.513 223 C N 1.137 120.721 119.300 0.475 0.000 2.347 223 C HA 0.918 5.378 4.460 -0.000 0.000 0.366 223 C C 1.164 176.331 174.990 0.296 0.000 1.241 223 C CA 0.475 59.701 59.018 0.348 0.000 2.360 223 C CB 1.073 28.894 27.740 0.135 0.000 2.290 223 C HN 0.858 nan 8.230 nan 0.000 0.587 224 T N -0.899 113.732 114.554 0.128 0.000 2.940 224 T HA 0.810 5.160 4.350 -0.000 0.000 0.288 224 T C -0.634 174.058 174.700 -0.013 0.000 1.045 224 T CA -0.503 61.596 62.100 -0.002 0.000 1.018 224 T CB 1.340 70.213 68.868 0.008 0.000 1.151 224 T HN 1.163 nan 8.240 nan 0.000 0.529 225 V N -1.862 118.040 119.914 -0.020 0.000 3.078 225 V HA 0.893 5.013 4.120 -0.000 0.000 0.311 225 V C -1.212 174.852 176.094 -0.050 0.000 1.138 225 V CA -1.055 61.242 62.300 -0.007 0.000 1.007 225 V CB 1.803 33.646 31.823 0.032 0.000 1.045 225 V HN 0.872 nan 8.190 nan 0.000 0.432 226 V N 2.837 122.726 119.914 -0.041 0.000 2.409 226 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 226 V C -0.212 175.849 176.094 -0.054 0.000 1.017 226 V CA -0.439 61.819 62.300 -0.070 0.000 0.841 226 V CB 1.565 33.367 31.823 -0.036 0.000 1.003 226 V HN 0.801 nan 8.190 nan 0.000 0.426 227 V N 5.241 125.089 119.914 -0.111 0.000 2.407 227 V HA 0.463 4.583 4.120 -0.000 0.000 0.278 227 V C 0.282 176.371 176.094 -0.009 0.000 1.037 227 V CA -0.628 61.640 62.300 -0.053 0.000 0.900 227 V CB 1.706 33.474 31.823 -0.090 0.000 0.983 227 V HN 0.654 nan 8.190 nan 0.000 0.459 228 K N 7.360 127.781 120.400 0.036 0.000 2.478 228 K HA 0.409 4.729 4.320 -0.000 0.000 0.236 228 K C -2.623 174.021 176.600 0.073 0.000 1.021 228 K CA -2.015 54.304 56.287 0.054 0.000 1.010 228 K CB 1.890 34.426 32.500 0.061 0.000 1.331 228 K HN 0.405 nan 8.250 nan 0.000 0.470 229 P HA 0.126 nan 4.420 nan 0.000 0.274 229 P C -0.574 176.778 177.300 0.087 0.000 1.246 229 P CA -0.488 62.665 63.100 0.088 0.000 0.795 229 P CB 0.771 32.532 31.700 0.102 0.000 1.006 230 A N 1.411 124.289 122.820 0.097 0.000 2.440 230 A HA 0.074 4.394 4.320 -0.000 0.000 0.251 230 A C 1.602 179.233 177.584 0.078 0.000 1.089 230 A CA -0.322 51.778 52.037 0.105 0.000 0.779 230 A CB -0.399 18.707 19.000 0.176 0.000 1.022 230 A HN 0.691 nan 8.150 nan 0.000 0.492 231 E N 1.648 121.840 120.200 -0.013 0.000 2.160 231 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 231 E C 0.106 176.732 176.600 0.043 0.000 0.991 231 E CA 1.550 57.874 56.400 -0.127 0.000 0.810 231 E CB -0.191 29.267 29.700 -0.403 0.000 0.742 231 E HN 0.715 nan 8.360 nan 0.000 0.466 232 D N 1.317 121.743 120.400 0.045 0.000 2.224 232 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 232 D C 0.732 177.094 176.300 0.103 0.000 0.965 232 D CA 1.751 55.778 54.000 0.044 0.000 0.852 232 D CB 0.300 41.070 40.800 -0.050 0.000 0.947 232 D HN 0.359 nan 8.370 nan 0.000 0.494 233 T N -1.842 112.794 114.554 0.137 0.000 3.428 233 T HA 0.258 4.608 4.350 -0.000 0.000 0.301 233 T C -2.323 172.428 174.700 0.086 0.000 1.323 233 T CA -1.194 60.988 62.100 0.138 0.000 1.647 233 T CB 2.050 71.042 68.868 0.206 0.000 0.871 233 T HN -0.143 nan 8.240 nan 0.000 0.627 234 P HA 0.179 nan 4.420 nan 0.000 0.234 234 P C 1.207 178.489 177.300 -0.031 0.000 1.175 234 P CA -0.061 63.012 63.100 -0.044 0.000 0.801 234 P CB -0.006 31.652 31.700 -0.070 0.000 0.891 235 F N 1.253 121.278 119.950 0.126 0.000 2.095 235 F HA -0.176 4.351 4.527 0.000 0.000 0.298 235 F C 2.606 178.475 175.800 0.115 0.000 1.104 235 F CA 1.286 59.346 58.000 0.101 0.000 1.232 235 F CB -1.170 37.873 39.000 0.071 0.000 0.987 235 F HN -0.085 nan 8.300 nan 0.000 0.475 236 S N -0.061 115.812 115.700 0.287 0.000 2.400 236 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 236 S C 2.232 176.959 174.600 0.212 0.000 1.025 236 S CA 1.012 59.338 58.200 0.210 0.000 0.993 236 S CB -0.552 62.745 63.200 0.162 0.000 0.808 236 S HN 0.406 nan 8.310 nan 0.000 0.478 237 A N 1.036 123.987 122.820 0.219 0.000 1.929 237 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 237 A C 2.014 179.792 177.584 0.323 0.000 1.176 237 A CA 0.927 53.121 52.037 0.262 0.000 0.628 237 A CB -0.478 18.643 19.000 0.203 0.000 0.816 237 A HN 0.471 nan 8.150 nan 0.000 0.444 238 L N -1.078 120.323 121.223 0.297 0.000 2.240 238 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 238 L C 2.936 180.007 176.870 0.335 0.000 1.106 238 L CA 0.687 55.743 54.840 0.360 0.000 0.793 238 L CB -0.423 41.862 42.059 0.376 0.000 0.927 238 L HN 0.402 nan 8.230 nan 0.000 0.446 239 A N 0.388 123.365 122.820 0.262 0.000 1.930 239 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 239 A C 2.247 179.952 177.584 0.202 0.000 1.175 239 A CA 1.167 53.321 52.037 0.195 0.000 0.627 239 A CB -0.559 18.534 19.000 0.156 0.000 0.815 239 A HN 0.324 nan 8.150 nan 0.000 0.443 240 L N -0.708 120.659 121.223 0.239 0.000 2.083 240 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 240 L C 3.084 180.090 176.870 0.227 0.000 1.083 240 L CA 0.986 55.998 54.840 0.287 0.000 0.752 240 L CB -0.472 41.739 42.059 0.254 0.000 0.899 240 L HN 0.452 nan 8.230 nan 0.000 0.433 241 A N -0.060 122.880 122.820 0.201 0.000 1.877 241 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 241 A C 2.184 179.519 177.584 -0.415 0.000 1.186 241 A CA 1.916 53.826 52.037 -0.211 0.000 0.620 241 A CB -0.511 18.196 19.000 -0.489 0.000 0.822 241 A HN 0.396 nan 8.150 nan 0.000 0.443 242 E N 0.498 120.705 120.200 0.012 0.000 2.085 242 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 242 E C 1.784 178.387 176.600 0.005 0.000 0.994 242 E CA 1.625 58.104 56.400 0.132 0.000 0.801 242 E CB -0.478 29.334 29.700 0.186 0.000 0.743 242 E HN 0.603 nan 8.360 nan 0.000 0.453 243 L N -0.382 120.858 121.223 0.028 0.000 2.217 243 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 243 L C 2.486 179.202 176.870 -0.256 0.000 1.107 243 L CA 0.787 55.647 54.840 0.033 0.000 0.783 243 L CB -0.630 41.576 42.059 0.245 0.000 0.919 243 L HN 0.194 nan 8.230 nan 0.000 0.442 244 A N 0.664 123.132 122.820 -0.588 0.000 1.902 244 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 244 A C 2.570 179.818 177.584 -0.559 0.000 1.181 244 A CA 2.038 53.365 52.037 -1.184 0.000 0.623 244 A CB -0.586 17.634 19.000 -1.299 0.000 0.818 244 A HN 0.513 nan 8.150 nan 0.000 0.443 245 S N -0.709 114.808 115.700 -0.305 0.000 2.387 245 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 245 S C 1.964 176.524 174.600 -0.065 0.000 1.026 245 S CA 1.273 59.415 58.200 -0.095 0.000 0.972 245 S CB -0.523 62.709 63.200 0.054 0.000 0.814 245 S HN 0.649 nan 8.310 nan 0.000 0.477 246 Q N 0.959 120.722 119.800 -0.061 0.000 2.170 246 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 246 Q C 2.469 178.451 176.000 -0.030 0.000 0.976 246 Q CA 1.346 57.139 55.803 -0.016 0.000 0.858 246 Q CB -0.465 28.278 28.738 0.010 0.000 0.907 246 Q HN 0.804 nan 8.270 nan 0.000 0.433 247 A N -0.316 122.450 122.820 -0.090 0.000 2.014 247 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 247 A C 1.593 179.151 177.584 -0.043 0.000 1.163 247 A CA 1.256 53.260 52.037 -0.056 0.000 0.652 247 A CB -0.232 18.705 19.000 -0.105 0.000 0.808 247 A HN 0.494 nan 8.150 nan 0.000 0.449 248 G N -1.521 107.232 108.800 -0.078 0.000 2.148 248 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.203 248 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.203 248 G C -0.017 174.852 174.900 -0.052 0.000 0.993 248 G CA -0.111 44.969 45.100 -0.034 0.000 0.661 248 G HN 0.277 nan 8.290 nan 0.000 0.518 249 I N 1.871 122.343 120.570 -0.164 0.000 2.742 249 I HA 0.131 4.301 4.170 -0.000 0.000 0.287 249 I C -1.358 174.663 176.117 -0.160 0.000 1.186 249 I CA -1.578 59.586 61.300 -0.226 0.000 1.417 249 I CB -0.169 37.541 38.000 -0.483 0.000 1.377 249 I HN -0.047 nan 8.210 nan 0.000 0.556 250 P HA 0.041 nan 4.420 nan 0.000 0.267 250 P C -0.166 177.058 177.300 -0.126 0.000 1.200 250 P CA -0.000 63.056 63.100 -0.072 0.000 0.772 250 P CB 0.408 32.120 31.700 0.019 0.000 0.855 251 S N 1.547 117.187 115.700 -0.100 0.000 2.558 251 S HA 0.287 4.757 4.470 -0.000 0.000 0.293 251 S C 1.596 176.106 174.600 -0.151 0.000 1.292 251 S CA 1.085 59.195 58.200 -0.149 0.000 1.063 251 S CB -0.458 62.653 63.200 -0.148 0.000 0.831 251 S HN 0.924 nan 8.310 nan 0.000 0.499 252 G N 1.405 110.091 108.800 -0.189 0.000 2.225 252 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 252 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 252 G C 0.749 175.565 174.900 -0.139 0.000 0.988 252 G CA 0.247 45.258 45.100 -0.149 0.000 0.625 252 G HN 0.606 nan 8.290 nan 0.000 0.527 253 V N -0.867 118.928 119.914 -0.198 0.000 2.488 253 V HA 0.216 4.336 4.120 -0.000 0.000 0.246 253 V C 1.000 177.014 176.094 -0.134 0.000 1.046 253 V CA 1.876 63.985 62.300 -0.318 0.000 1.053 253 V CB -0.106 31.297 31.823 -0.700 0.000 0.679 253 V HN 0.527 nan 8.190 nan 0.000 0.458 254 Y N 2.030 122.225 120.300 -0.175 0.000 2.363 254 Y HA 0.494 5.044 4.550 -0.000 0.000 0.325 254 Y C -0.417 175.527 175.900 0.073 0.000 0.984 254 Y CA -1.377 56.699 58.100 -0.040 0.000 1.248 254 Y CB 0.619 39.040 38.460 -0.065 0.000 1.116 254 Y HN 0.165 nan 8.280 nan 0.000 0.470 255 N N 4.944 123.429 118.700 -0.359 0.000 2.269 255 N HA 0.594 5.334 4.740 -0.000 0.000 0.304 255 N C -1.669 173.623 175.510 -0.363 0.000 1.072 255 N CA -0.653 52.236 53.050 -0.268 0.000 0.802 255 N CB 2.827 41.206 38.487 -0.180 0.000 1.348 255 N HN 0.291 nan 8.380 nan 0.000 0.484 256 V N 2.273 122.083 119.914 -0.174 0.000 2.483 256 V HA 0.462 4.582 4.120 -0.000 0.000 0.297 256 V C 0.070 176.171 176.094 0.012 0.000 1.027 256 V CA -0.835 61.407 62.300 -0.096 0.000 0.855 256 V CB 1.513 33.333 31.823 -0.005 0.000 0.995 256 V HN 0.598 nan 8.190 nan 0.000 0.424 257 I N 2.585 123.166 120.570 0.017 0.000 2.555 257 I HA 0.569 4.739 4.170 -0.000 0.000 0.275 257 I C -2.818 173.351 176.117 0.087 0.000 1.082 257 I CA -2.199 59.131 61.300 0.049 0.000 1.167 257 I CB 1.334 39.347 38.000 0.021 0.000 1.312 257 I HN 0.334 nan 8.210 nan 0.000 0.493 258 P HA 0.232 nan 4.420 nan 0.000 0.272 258 P C -0.557 176.900 177.300 0.260 0.000 1.223 258 P CA -0.164 63.062 63.100 0.209 0.000 0.784 258 P CB 0.824 32.660 31.700 0.228 0.000 0.923 259 C N -0.125 119.300 119.300 0.209 0.000 3.284 259 C HA 0.734 5.194 4.460 -0.000 0.000 0.338 259 C C 0.038 174.732 174.990 -0.493 0.000 1.237 259 C CA -0.656 58.390 59.018 0.046 0.000 1.276 259 C CB 1.031 28.779 27.740 0.015 0.000 1.601 259 C HN 0.661 nan 8.230 nan 0.000 0.494 260 S N 2.477 117.789 115.700 -0.646 0.000 2.645 260 S HA 0.402 4.872 4.470 -0.000 0.000 0.266 260 S C 1.293 175.667 174.600 -0.377 0.000 1.258 260 S CA -0.194 57.492 58.200 -0.858 0.000 0.990 260 S CB 0.788 63.679 63.200 -0.515 0.000 0.967 260 S HN 1.132 nan 8.310 nan 0.000 0.556 261 R N 1.900 122.221 120.500 -0.298 0.000 2.113 261 R HA -0.202 4.138 4.340 -0.000 0.000 0.244 261 R C 2.103 178.345 176.300 -0.097 0.000 1.142 261 R CA 2.511 58.520 56.100 -0.152 0.000 0.953 261 R CB -1.002 29.231 30.300 -0.111 0.000 0.860 261 R HN 0.951 nan 8.270 nan 0.000 0.438 262 K N -0.971 119.377 120.400 -0.086 0.000 2.211 262 K HA -0.062 4.258 4.320 -0.000 0.000 0.203 262 K C 1.359 177.935 176.600 -0.040 0.000 1.050 262 K CA 1.527 57.785 56.287 -0.048 0.000 0.945 262 K CB -0.129 32.353 32.500 -0.030 0.000 0.732 262 K HN 0.056 nan 8.250 nan 0.000 0.451 263 N N 0.771 119.438 118.700 -0.055 0.000 2.392 263 N HA 0.138 4.878 4.740 -0.000 0.000 0.177 263 N C 1.522 177.011 175.510 -0.035 0.000 1.066 263 N CA 0.733 53.763 53.050 -0.035 0.000 0.895 263 N CB 0.288 38.762 38.487 -0.021 0.000 0.988 263 N HN 0.335 nan 8.380 nan 0.000 0.457 264 A N 2.017 124.806 122.820 -0.051 0.000 1.884 264 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 264 A C 2.123 179.703 177.584 -0.007 0.000 1.197 264 A CA 1.481 53.501 52.037 -0.029 0.000 0.637 264 A CB -0.328 18.654 19.000 -0.030 0.000 0.827 264 A HN 0.136 nan 8.150 nan 0.000 0.450 265 K N -0.442 119.955 120.400 -0.005 0.000 1.978 265 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 265 K C 1.940 178.535 176.600 -0.009 0.000 1.049 265 K CA 1.693 57.986 56.287 0.009 0.000 0.939 265 K CB -0.650 31.857 32.500 0.012 0.000 0.721 265 K HN 0.697 nan 8.250 nan 0.000 0.441 266 E N 0.615 120.803 120.200 -0.020 0.000 2.065 266 E HA -0.188 4.162 4.350 -0.000 0.000 0.201 266 E C 2.148 178.717 176.600 -0.052 0.000 1.016 266 E CA 1.554 57.931 56.400 -0.037 0.000 0.818 266 E CB -0.146 29.538 29.700 -0.026 0.000 0.749 266 E HN 0.014 nan 8.360 nan 0.000 0.453 267 V N 0.598 120.492 119.914 -0.033 0.000 2.307 267 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 267 V C 2.353 178.425 176.094 -0.037 0.000 1.045 267 V CA 1.946 64.229 62.300 -0.029 0.000 1.024 267 V CB -0.995 30.822 31.823 -0.009 0.000 0.651 267 V HN 0.435 nan 8.190 nan 0.000 0.449 268 G N -0.685 108.101 108.800 -0.024 0.000 2.469 268 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 268 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 268 G C 1.548 176.398 174.900 -0.084 0.000 1.150 268 G CA 1.113 46.204 45.100 -0.015 0.000 0.763 268 G HN 0.581 nan 8.290 nan 0.000 0.561 269 E N 0.422 120.511 120.200 -0.186 0.000 2.072 269 E HA -0.007 4.343 4.350 -0.000 0.000 0.191 269 E C 2.818 179.231 176.600 -0.312 0.000 0.985 269 E CA 0.886 56.985 56.400 -0.502 0.000 0.801 269 E CB -0.246 29.114 29.700 -0.566 0.000 0.750 269 E HN 0.330 nan 8.360 nan 0.000 0.452 270 A N 1.881 124.597 122.820 -0.173 0.000 1.865 270 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 270 A C 2.274 179.805 177.584 -0.089 0.000 1.191 270 A CA 1.899 53.868 52.037 -0.114 0.000 0.623 270 A CB -0.958 17.998 19.000 -0.073 0.000 0.826 270 A HN 0.571 nan 8.150 nan 0.000 0.444 271 I N -3.659 116.871 120.570 -0.067 0.000 2.761 271 I HA -0.061 4.109 4.170 -0.000 0.000 0.261 271 I C 1.578 177.676 176.117 -0.031 0.000 1.198 271 I CA 1.124 62.401 61.300 -0.038 0.000 1.482 271 I CB -0.526 37.466 38.000 -0.014 0.000 1.100 271 I HN 0.195 nan 8.210 nan 0.000 0.445 272 C N 1.714 120.986 119.300 -0.047 0.000 2.673 272 C HA 0.211 4.671 4.460 -0.000 0.000 0.274 272 C C 2.256 177.235 174.990 -0.018 0.000 1.276 272 C CA 0.896 59.907 59.018 -0.012 0.000 1.701 272 C CB -1.587 26.172 27.740 0.032 0.000 1.836 272 C HN 0.753 nan 8.230 nan 0.000 0.596 273 T N -5.032 109.484 114.554 -0.062 0.000 2.969 273 T HA 0.053 4.403 4.350 -0.000 0.000 0.258 273 T C 0.175 174.847 174.700 -0.047 0.000 0.962 273 T CA 0.037 62.107 62.100 -0.051 0.000 0.903 273 T CB -0.275 68.537 68.868 -0.095 0.000 1.177 273 T HN 0.321 nan 8.240 nan 0.000 0.511 274 D N 3.514 123.881 120.400 -0.054 0.000 2.531 274 D HA 0.071 4.710 4.640 -0.000 0.000 0.239 274 D C -1.557 174.709 176.300 -0.056 0.000 1.144 274 D CA -1.165 52.801 54.000 -0.057 0.000 0.869 274 D CB 1.677 42.444 40.800 -0.055 0.000 1.160 274 D HN 0.056 nan 8.370 nan 0.000 0.484 275 P HA -0.081 nan 4.420 nan 0.000 0.221 275 P C 1.311 178.549 177.300 -0.104 0.000 1.145 275 P CA 0.797 63.853 63.100 -0.074 0.000 0.795 275 P CB 0.205 31.856 31.700 -0.083 0.000 0.775 276 L N -2.112 119.025 121.223 -0.143 0.000 2.492 276 L HA 0.038 4.378 4.340 -0.000 0.000 0.223 276 L C 0.581 177.434 176.870 -0.029 0.000 1.132 276 L CA 0.130 54.852 54.840 -0.196 0.000 0.850 276 L CB -0.136 41.744 42.059 -0.299 0.000 0.966 276 L HN -0.191 nan 8.230 nan 0.000 0.454 277 V N -0.529 119.369 119.914 -0.026 0.000 2.439 277 V HA 0.132 4.252 4.120 -0.000 0.000 0.282 277 V C 0.870 176.960 176.094 -0.007 0.000 1.039 277 V CA 0.136 62.432 62.300 -0.005 0.000 0.913 277 V CB 1.678 33.498 31.823 -0.006 0.000 0.983 277 V HN 0.102 nan 8.190 nan 0.000 0.460 278 S N 2.934 118.626 115.700 -0.013 0.000 2.540 278 S HA 0.235 4.705 4.470 -0.000 0.000 0.222 278 S C 0.318 174.913 174.600 -0.009 0.000 1.008 278 S CA -0.196 57.997 58.200 -0.012 0.000 0.939 278 S CB 0.182 63.368 63.200 -0.025 0.000 0.865 278 S HN 0.699 nan 8.310 nan 0.000 0.499 279 K N 1.216 121.617 120.400 0.001 0.000 2.523 279 K HA 0.593 4.913 4.320 -0.000 0.000 0.257 279 K C -1.980 174.639 176.600 0.031 0.000 0.932 279 K CA -0.391 55.899 56.287 0.005 0.000 0.812 279 K CB 1.091 33.600 32.500 0.015 0.000 1.326 279 K HN -0.010 nan 8.250 nan 0.000 0.433 280 I N 2.039 122.621 120.570 0.020 0.000 2.498 280 I HA 0.389 4.558 4.170 -0.000 0.000 0.290 280 I C -0.879 175.277 176.117 0.066 0.000 1.032 280 I CA -0.821 60.511 61.300 0.053 0.000 1.073 280 I CB 2.278 40.304 38.000 0.044 0.000 1.251 280 I HN 0.562 nan 8.210 nan 0.000 0.426 281 S N 6.618 122.390 115.700 0.120 0.000 2.707 281 S HA 0.623 5.093 4.470 -0.000 0.000 0.303 281 S C -1.287 173.428 174.600 0.193 0.000 1.132 281 S CA -0.402 57.875 58.200 0.129 0.000 1.046 281 S CB 0.621 63.916 63.200 0.158 0.000 1.004 281 S HN 0.406 nan 8.310 nan 0.000 0.483 282 F N 3.525 123.487 119.950 0.019 0.000 2.565 282 F HA 0.707 5.234 4.527 -0.000 0.000 0.313 282 F C -0.695 175.115 175.800 0.017 0.000 1.091 282 F CA -0.191 57.823 58.000 0.022 0.000 0.915 282 F CB 2.226 41.241 39.000 0.025 0.000 1.208 282 F HN 0.397 nan 8.300 nan 0.000 0.453 283 T N 4.419 118.358 114.554 -1.025 0.000 2.965 283 T HA 0.738 5.088 4.350 -0.000 0.000 0.306 283 T C -0.214 173.809 174.700 -1.128 0.000 0.991 283 T CA -0.319 61.302 62.100 -0.798 0.000 1.001 283 T CB 0.989 69.636 68.868 -0.369 0.000 0.984 283 T HN 1.101 nan 8.240 nan 0.000 0.446 284 G N 1.897 110.167 108.800 -0.884 0.000 2.435 284 G HA2 0.529 4.489 3.960 -0.000 0.000 0.228 284 G HA3 0.529 4.489 3.960 -0.000 0.000 0.228 284 G C -0.516 174.479 174.900 0.159 0.000 1.198 284 G CA -0.230 44.678 45.100 -0.320 0.000 0.948 284 G HN 0.861 nan 8.290 nan 0.000 0.487 285 S N -0.528 115.371 115.700 0.332 0.000 2.593 285 S HA 0.408 4.878 4.470 -0.000 0.000 0.269 285 S C 1.290 176.054 174.600 0.274 0.000 1.334 285 S CA 1.069 59.431 58.200 0.269 0.000 1.015 285 S CB 1.259 64.588 63.200 0.215 0.000 0.912 285 S HN 0.720 nan 8.310 nan 0.000 0.541 286 T N 2.197 116.849 114.554 0.164 0.000 2.821 286 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 286 T C 1.896 176.639 174.700 0.070 0.000 1.046 286 T CA 1.890 64.059 62.100 0.115 0.000 1.139 286 T CB -0.811 68.098 68.868 0.068 0.000 0.871 286 T HN 0.795 nan 8.240 nan 0.000 0.454 287 T N 1.986 116.576 114.554 0.060 0.000 2.652 287 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 287 T C 2.311 177.006 174.700 -0.008 0.000 1.039 287 T CA 1.782 63.897 62.100 0.024 0.000 1.153 287 T CB -0.741 68.142 68.868 0.024 0.000 0.863 287 T HN 0.399 nan 8.240 nan 0.000 0.428 288 T N 1.109 115.668 114.554 0.008 0.000 2.777 288 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 288 T C 2.270 176.762 174.700 -0.348 0.000 1.040 288 T CA 1.230 63.265 62.100 -0.109 0.000 1.141 288 T CB -0.920 67.944 68.868 -0.008 0.000 0.868 288 T HN 0.510 nan 8.240 nan 0.000 0.444 289 G N 1.880 110.493 108.800 -0.311 0.000 2.469 289 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 289 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 289 G C 1.589 176.357 174.900 -0.220 0.000 1.150 289 G CA 0.769 45.645 45.100 -0.374 0.000 0.763 289 G HN 0.441 nan 8.290 nan 0.000 0.561 290 K N -0.246 120.086 120.400 -0.112 0.000 2.148 290 K HA 0.118 4.438 4.320 -0.000 0.000 0.204 290 K C 2.406 178.968 176.600 -0.063 0.000 1.050 290 K CA 0.556 56.793 56.287 -0.083 0.000 0.942 290 K CB -0.133 32.359 32.500 -0.013 0.000 0.724 290 K HN 0.349 nan 8.250 nan 0.000 0.446 291 I N 1.096 121.603 120.570 -0.106 0.000 2.252 291 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 291 I C 2.090 178.025 176.117 -0.302 0.000 1.102 291 I CA 1.092 62.291 61.300 -0.167 0.000 1.385 291 I CB -0.133 37.779 38.000 -0.146 0.000 1.064 291 I HN 0.110 nan 8.210 nan 0.000 0.414 292 L N -0.032 121.050 121.223 -0.235 0.000 2.109 292 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 292 L C 2.501 179.301 176.870 -0.117 0.000 1.086 292 L CA 1.050 55.810 54.840 -0.133 0.000 0.760 292 L CB -0.485 41.422 42.059 -0.254 0.000 0.910 292 L HN 0.279 nan 8.230 nan 0.000 0.437 293 L N -0.765 120.353 121.223 -0.175 0.000 2.127 293 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 293 L C 2.759 179.504 176.870 -0.208 0.000 1.089 293 L CA 1.043 55.775 54.840 -0.180 0.000 0.757 293 L CB -0.601 41.319 42.059 -0.230 0.000 0.899 293 L HN 0.401 nan 8.230 nan 0.000 0.434 294 H N -1.485 117.481 119.070 -0.173 0.000 2.395 294 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 294 H C 2.270 177.530 175.328 -0.114 0.000 1.070 294 H CA 1.142 57.089 56.048 -0.168 0.000 1.356 294 H CB 0.037 29.654 29.762 -0.241 0.000 1.401 294 H HN 0.406 nan 8.280 nan 0.000 0.524 295 H N 0.351 119.455 119.070 0.058 0.000 2.353 295 H HA 0.001 4.557 4.556 -0.000 0.000 0.300 295 H C 2.315 177.641 175.328 -0.003 0.000 1.090 295 H CA 1.103 57.160 56.048 0.015 0.000 1.327 295 H CB -0.364 29.390 29.762 -0.013 0.000 1.383 295 H HN 0.345 nan 8.280 nan 0.000 0.508 296 A N 1.059 123.938 122.820 0.097 0.000 1.969 296 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 296 A C 2.670 180.265 177.584 0.018 0.000 1.169 296 A CA 1.405 53.464 52.037 0.037 0.000 0.635 296 A CB -0.681 18.321 19.000 0.003 0.000 0.810 296 A HN 0.425 nan 8.150 nan 0.000 0.445 297 A N 0.581 123.405 122.820 0.007 0.000 1.940 297 A HA -0.199 4.120 4.320 -0.000 0.000 0.219 297 A C 1.815 179.412 177.584 0.022 0.000 1.176 297 A CA 1.613 53.651 52.037 0.001 0.000 0.631 297 A CB -0.610 18.385 19.000 -0.008 0.000 0.814 297 A HN 0.568 nan 8.150 nan 0.000 0.446 298 N N 0.218 118.943 118.700 0.042 0.000 2.453 298 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 298 N C 1.067 176.590 175.510 0.022 0.000 1.041 298 N CA 1.494 54.566 53.050 0.037 0.000 0.900 298 N CB -0.064 38.453 38.487 0.051 0.000 0.961 298 N HN 0.640 nan 8.380 nan 0.000 0.443 299 S N -1.555 114.155 115.700 0.018 0.000 2.937 299 S HA 0.176 4.646 4.470 -0.000 0.000 0.252 299 S C 0.432 175.036 174.600 0.007 0.000 1.022 299 S CA -0.442 57.764 58.200 0.009 0.000 1.079 299 S CB 0.065 63.267 63.200 0.004 0.000 1.035 299 S HN -0.077 nan 8.310 nan 0.000 0.594 300 V N 0.943 120.860 119.914 0.006 0.000 5.479 300 V HA -0.262 3.858 4.120 -0.000 0.000 0.289 300 V C 0.320 176.414 176.094 -0.001 0.000 0.595 300 V CA 1.297 63.598 62.300 0.001 0.000 0.649 300 V CB -2.404 29.421 31.823 0.004 0.000 0.390 300 V HN 0.669 nan 8.190 nan 0.000 0.974 301 K N 1.204 121.603 120.400 -0.002 0.000 2.202 301 K HA 0.473 4.793 4.320 -0.000 0.000 0.264 301 K C 0.693 177.284 176.600 -0.014 0.000 1.010 301 K CA -0.858 55.426 56.287 -0.005 0.000 0.940 301 K CB 0.683 33.182 32.500 -0.000 0.000 0.983 301 K HN 0.262 nan 8.250 nan 0.000 0.475 302 R N 1.452 121.939 120.500 -0.021 0.000 2.490 302 R HA 0.170 4.510 4.340 -0.000 0.000 0.280 302 R C -0.224 176.048 176.300 -0.047 0.000 1.077 302 R CA -0.233 55.843 56.100 -0.039 0.000 1.065 302 R CB 0.768 31.036 30.300 -0.054 0.000 1.003 302 R HN 0.537 nan 8.270 nan 0.000 0.470 303 V N -1.095 118.788 119.914 -0.051 0.000 2.841 303 V HA 0.693 4.813 4.120 -0.000 0.000 0.310 303 V C -0.512 175.553 176.094 -0.048 0.000 1.090 303 V CA -0.826 61.450 62.300 -0.040 0.000 0.930 303 V CB 2.295 34.107 31.823 -0.019 0.000 1.014 303 V HN 0.821 nan 8.190 nan 0.000 0.425 304 S N 5.112 120.789 115.700 -0.039 0.000 2.521 304 S HA 0.907 5.377 4.470 -0.000 0.000 0.295 304 S C -0.757 173.865 174.600 0.036 0.000 1.098 304 S CA -0.668 57.514 58.200 -0.031 0.000 0.999 304 S CB 1.802 64.951 63.200 -0.085 0.000 1.034 304 S HN 1.321 nan 8.310 nan 0.000 0.483 305 M N 1.952 121.582 119.600 0.049 0.000 2.520 305 M HA 0.514 4.994 4.480 -0.000 0.000 0.283 305 M C -2.131 174.211 176.300 0.069 0.000 1.237 305 M CA -0.196 55.169 55.300 0.108 0.000 0.885 305 M CB 2.418 35.106 32.600 0.146 0.000 1.727 305 M HN 0.976 nan 8.290 nan 0.000 0.468 306 E N 4.117 124.352 120.200 0.059 0.000 2.302 306 E HA 0.496 4.846 4.350 -0.000 0.000 0.263 306 E C -2.151 174.468 176.600 0.030 0.000 0.897 306 E CA -0.478 55.934 56.400 0.020 0.000 0.809 306 E CB 1.422 31.105 29.700 -0.028 0.000 1.270 306 E HN 0.688 nan 8.360 nan 0.000 0.410 307 L N 3.362 124.632 121.223 0.079 0.000 2.307 307 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 307 L C 0.986 177.924 176.870 0.113 0.000 1.023 307 L CA -1.112 53.800 54.840 0.119 0.000 0.810 307 L CB 1.592 43.734 42.059 0.137 0.000 1.231 307 L HN 0.641 nan 8.230 nan 0.000 0.423 308 G N 1.213 110.107 108.800 0.157 0.000 2.484 308 G HA2 0.451 4.411 3.960 -0.000 0.000 0.235 308 G HA3 0.451 4.411 3.960 -0.000 0.000 0.235 308 G C 0.162 175.172 174.900 0.183 0.000 1.282 308 G CA 0.585 45.834 45.100 0.249 0.000 0.857 308 G HN 0.922 nan 8.290 nan 0.000 0.571 309 G N -0.228 108.696 108.800 0.207 0.000 2.427 309 G HA2 0.456 4.416 3.960 -0.000 0.000 0.306 309 G HA3 0.456 4.416 3.960 -0.000 0.000 0.306 309 G C -1.020 173.957 174.900 0.128 0.000 1.280 309 G CA -1.080 44.086 45.100 0.110 0.000 0.837 309 G HN 0.698 nan 8.290 nan 0.000 0.482 310 L N 0.384 121.652 121.223 0.076 0.000 2.399 310 L HA 0.695 5.035 4.340 -0.000 0.000 0.266 310 L C 0.483 177.400 176.870 0.079 0.000 1.114 310 L CA -0.724 54.160 54.840 0.074 0.000 0.804 310 L CB 1.701 43.785 42.059 0.041 0.000 1.146 310 L HN 0.758 nan 8.230 nan 0.000 0.451 311 A N 3.317 126.191 122.820 0.089 0.000 2.357 311 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 311 A C -2.604 175.039 177.584 0.099 0.000 1.121 311 A CA -1.438 50.666 52.037 0.112 0.000 0.742 311 A CB 0.972 20.101 19.000 0.215 0.000 1.181 311 A HN 0.369 nan 8.150 nan 0.000 0.454 312 P HA 0.265 nan 4.420 nan 0.000 0.276 312 P C -1.015 176.381 177.300 0.160 0.000 1.230 312 P CA 0.099 63.235 63.100 0.060 0.000 0.776 312 P CB 0.643 32.352 31.700 0.015 0.000 0.888 313 F N 4.481 124.385 119.950 -0.078 0.000 2.513 313 F HA 0.454 4.981 4.527 -0.000 0.000 0.358 313 F C -0.394 175.427 175.800 0.035 0.000 1.118 313 F CA -0.962 57.036 58.000 -0.003 0.000 1.037 313 F CB 0.570 39.378 39.000 -0.320 0.000 1.276 313 F HN 0.111 nan 8.300 nan 0.000 0.446 314 I N 6.550 127.164 120.570 0.074 0.000 2.353 314 I HA 0.367 4.537 4.170 -0.000 0.000 0.293 314 I C -0.809 175.274 176.117 -0.057 0.000 0.992 314 I CA -1.067 60.206 61.300 -0.044 0.000 1.268 314 I CB 1.583 39.397 38.000 -0.309 0.000 1.387 314 I HN 0.168 nan 8.210 nan 0.000 0.478 315 V N 7.050 126.906 119.914 -0.097 0.000 2.334 315 V HA 0.362 4.482 4.120 -0.000 0.000 0.281 315 V C -0.190 175.844 176.094 -0.101 0.000 1.016 315 V CA -0.461 61.784 62.300 -0.092 0.000 0.832 315 V CB 0.734 32.327 31.823 -0.383 0.000 0.999 315 V HN 0.399 nan 8.190 nan 0.000 0.439 316 F N 1.837 121.928 119.950 0.236 0.000 2.370 316 F HA 0.340 4.867 4.527 -0.000 0.000 0.324 316 F C 1.651 177.523 175.800 0.121 0.000 1.116 316 F CA -0.417 57.713 58.000 0.218 0.000 1.123 316 F CB 0.683 39.813 39.000 0.217 0.000 1.238 316 F HN 0.445 nan 8.300 nan 0.000 0.536 317 D N 0.025 120.601 120.400 0.294 0.000 2.203 317 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 317 D C 2.014 178.411 176.300 0.163 0.000 0.997 317 D CA 1.936 56.036 54.000 0.167 0.000 0.863 317 D CB -0.242 40.635 40.800 0.128 0.000 0.928 317 D HN 0.452 nan 8.370 nan 0.000 0.458 318 S N -0.588 115.229 115.700 0.195 0.000 2.575 318 S HA 0.353 4.823 4.470 -0.000 0.000 0.215 318 S C 0.893 175.598 174.600 0.175 0.000 0.966 318 S CA -0.204 58.088 58.200 0.153 0.000 0.911 318 S CB 0.223 63.497 63.200 0.122 0.000 0.780 318 S HN 0.217 nan 8.310 nan 0.000 0.514 319 A N 2.491 125.448 122.820 0.228 0.000 2.448 319 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 319 A C 0.543 178.244 177.584 0.195 0.000 1.080 319 A CA -0.432 51.758 52.037 0.254 0.000 0.779 319 A CB -0.055 19.133 19.000 0.313 0.000 1.026 319 A HN 0.477 nan 8.150 nan 0.000 0.499 320 N N 1.989 120.815 118.700 0.211 0.000 2.401 320 N HA 0.111 4.850 4.740 -0.000 0.000 0.255 320 N C 1.091 176.682 175.510 0.135 0.000 1.110 320 N CA -0.094 53.049 53.050 0.155 0.000 0.949 320 N CB 0.960 39.541 38.487 0.156 0.000 1.110 320 N HN 0.273 nan 8.380 nan 0.000 0.490 321 V N 3.657 123.638 119.914 0.111 0.000 2.231 321 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 321 V C 1.679 177.799 176.094 0.043 0.000 1.054 321 V CA 1.882 64.244 62.300 0.104 0.000 1.015 321 V CB -0.385 31.494 31.823 0.093 0.000 0.638 321 V HN 0.640 nan 8.190 nan 0.000 0.444 322 D N -0.715 119.701 120.400 0.027 0.000 2.149 322 D HA -0.172 4.468 4.640 -0.000 0.000 0.198 322 D C 2.346 178.641 176.300 -0.008 0.000 0.990 322 D CA 1.093 55.091 54.000 -0.004 0.000 0.839 322 D CB -0.226 40.581 40.800 0.013 0.000 0.948 322 D HN 0.433 nan 8.370 nan 0.000 0.460 323 Q N 0.432 120.254 119.800 0.036 0.000 2.046 323 Q HA -0.015 4.325 4.340 -0.000 0.000 0.200 323 Q C 2.295 178.210 176.000 -0.141 0.000 0.975 323 Q CA 1.051 56.903 55.803 0.081 0.000 0.836 323 Q CB -0.501 28.380 28.738 0.238 0.000 0.896 323 Q HN 0.252 nan 8.270 nan 0.000 0.428 324 A N 0.413 123.018 122.820 -0.359 0.000 1.908 324 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 324 A C 2.462 179.868 177.584 -0.296 0.000 1.181 324 A CA 1.691 53.233 52.037 -0.826 0.000 0.627 324 A CB -0.759 18.079 19.000 -0.270 0.000 0.818 324 A HN 0.207 nan 8.150 nan 0.000 0.445 325 V N -0.219 119.582 119.914 -0.187 0.000 2.295 325 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 325 V C 3.082 179.001 176.094 -0.293 0.000 1.049 325 V CA 1.962 64.019 62.300 -0.404 0.000 1.024 325 V CB -1.252 30.347 31.823 -0.372 0.000 0.648 325 V HN 0.631 nan 8.190 nan 0.000 0.447 326 A N 0.481 123.222 122.820 -0.132 0.000 1.883 326 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 326 A C 2.425 180.015 177.584 0.010 0.000 1.186 326 A CA 2.162 54.180 52.037 -0.032 0.000 0.624 326 A CB -1.334 17.681 19.000 0.026 0.000 0.822 326 A HN 0.543 nan 8.150 nan 0.000 0.444 327 G N -0.650 108.177 108.800 0.046 0.000 2.418 327 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 327 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 327 G C 1.764 176.743 174.900 0.133 0.000 1.158 327 G CA 1.553 46.799 45.100 0.243 0.000 0.771 327 G HN 0.840 nan 8.290 nan 0.000 0.545 328 A N 0.494 123.201 122.820 -0.188 0.000 1.902 328 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 328 A C 2.465 179.915 177.584 -0.223 0.000 1.181 328 A CA 1.944 53.608 52.037 -0.622 0.000 0.623 328 A CB -0.366 17.893 19.000 -1.236 0.000 0.818 328 A HN 0.305 nan 8.150 nan 0.000 0.443 329 M N -0.498 119.049 119.600 -0.089 0.000 2.084 329 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 329 M C 2.624 179.042 176.300 0.197 0.000 1.072 329 M CA 1.925 57.360 55.300 0.224 0.000 1.107 329 M CB -1.450 31.248 32.600 0.163 0.000 1.299 329 M HN 0.485 nan 8.290 nan 0.000 0.413 330 A N -0.697 122.196 122.820 0.122 0.000 1.908 330 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 330 A C 2.459 180.096 177.584 0.088 0.000 1.181 330 A CA 2.448 54.556 52.037 0.120 0.000 0.627 330 A CB -1.000 18.068 19.000 0.114 0.000 0.818 330 A HN 0.541 nan 8.150 nan 0.000 0.445 331 S N -1.018 114.708 115.700 0.043 0.000 2.348 331 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 331 S C 2.123 176.690 174.600 -0.055 0.000 1.033 331 S CA 2.088 60.268 58.200 -0.033 0.000 1.010 331 S CB -0.194 62.954 63.200 -0.087 0.000 0.891 331 S HN 0.538 nan 8.310 nan 0.000 0.442 332 K N -0.590 119.751 120.400 -0.098 0.000 2.202 332 K HA 0.279 4.599 4.320 -0.000 0.000 0.201 332 K C 1.304 177.659 176.600 -0.407 0.000 1.051 332 K CA 1.107 57.221 56.287 -0.288 0.000 0.977 332 K CB -0.196 32.051 32.500 -0.423 0.000 0.792 332 K HN 0.479 nan 8.250 nan 0.000 0.469 333 F N -0.459 119.575 119.950 0.140 0.000 2.637 333 F HA 0.316 4.843 4.527 -0.000 0.000 0.284 333 F C 0.593 176.450 175.800 0.094 0.000 1.105 333 F CA -0.265 57.803 58.000 0.114 0.000 1.356 333 F CB 0.549 39.612 39.000 0.106 0.000 1.096 333 F HN -0.332 nan 8.300 nan 0.000 0.616 334 R N 1.181 121.832 120.500 0.251 0.000 3.026 334 R HA 0.149 4.489 4.340 -0.000 0.000 0.317 334 R C -0.510 175.875 176.300 0.142 0.000 1.278 334 R CA -0.290 55.916 56.100 0.177 0.000 1.407 334 R CB -0.114 30.282 30.300 0.160 0.000 1.368 334 R HN -0.058 nan 8.270 nan 0.000 0.612 335 N N 1.843 120.622 118.700 0.132 0.000 2.402 335 N HA -0.027 4.713 4.740 -0.000 0.000 0.259 335 N C 0.608 176.214 175.510 0.161 0.000 1.167 335 N CA 0.342 53.472 53.050 0.134 0.000 0.949 335 N CB 1.204 39.769 38.487 0.130 0.000 1.212 335 N HN 0.306 nan 8.380 nan 0.000 0.493 336 T N -0.083 114.572 114.554 0.168 0.000 3.144 336 T HA 0.232 4.582 4.350 -0.000 0.000 0.249 336 T C 1.079 175.943 174.700 0.272 0.000 1.089 336 T CA -0.204 62.015 62.100 0.198 0.000 0.989 336 T CB 0.294 69.268 68.868 0.176 0.000 0.992 336 T HN 0.307 nan 8.240 nan 0.000 0.540 337 G N 1.617 110.536 108.800 0.199 0.000 2.882 337 G HA2 0.497 4.457 3.960 -0.000 0.000 0.164 337 G HA3 0.497 4.457 3.960 -0.000 0.000 0.164 337 G C -0.026 174.779 174.900 -0.157 0.000 1.429 337 G CA -0.133 44.977 45.100 0.017 0.000 1.059 337 G HN 0.486 nan 8.290 nan 0.000 0.581 338 Q N -2.315 117.152 119.800 -0.555 0.000 1.682 338 Q HA 0.148 4.488 4.340 -0.000 0.000 0.162 338 Q C 0.973 176.364 176.000 -1.015 0.000 0.798 338 Q CA 0.581 55.667 55.803 -1.195 0.000 0.797 338 Q CB -0.902 27.278 28.738 -0.930 0.000 1.232 338 Q HN 0.322 nan 8.270 nan 0.000 0.369 339 T N 0.363 114.607 114.554 -0.517 0.000 2.564 339 T HA -0.229 4.121 4.350 -0.000 0.000 0.264 339 T C 1.115 175.733 174.700 -0.136 0.000 1.100 339 T CA 1.974 63.988 62.100 -0.143 0.000 1.171 339 T CB -0.507 68.460 68.868 0.165 0.000 0.863 339 T HN 0.813 nan 8.240 nan 0.000 0.430 340 C N -1.089 118.119 119.300 -0.154 0.000 3.295 340 C HA 0.660 5.120 4.460 -0.000 0.000 0.341 340 C C -0.046 174.940 174.990 -0.005 0.000 1.418 340 C CA -1.079 57.889 59.018 -0.084 0.000 1.240 340 C CB 1.192 28.949 27.740 0.029 0.000 1.562 340 C HN 0.403 nan 8.230 nan 0.000 0.457 341 V N -0.394 119.509 119.914 -0.019 0.000 2.052 341 V HA 0.461 4.581 4.120 -0.000 0.000 0.281 341 V C 0.386 176.506 176.094 0.043 0.000 1.668 341 V CA -0.291 61.924 62.300 -0.141 0.000 1.621 341 V CB -2.101 29.636 31.823 -0.143 0.000 1.488 341 V HN 1.128 nan 8.190 nan 0.000 0.513 342 C N 1.046 120.403 119.300 0.096 0.000 2.455 342 C HA 0.929 5.389 4.460 -0.000 0.000 0.320 342 C C 0.394 175.560 174.990 0.294 0.000 1.226 342 C CA -0.262 58.910 59.018 0.258 0.000 1.569 342 C CB 0.797 28.642 27.740 0.174 0.000 2.200 342 C HN 0.818 nan 8.230 nan 0.000 0.491 343 S N 2.252 118.181 115.700 0.382 0.000 2.433 343 S HA 0.452 4.922 4.470 -0.000 0.000 0.310 343 S C -0.668 174.004 174.600 0.119 0.000 1.097 343 S CA -0.443 57.929 58.200 0.286 0.000 1.103 343 S CB 0.010 63.421 63.200 0.352 0.000 0.992 343 S HN 0.847 nan 8.310 nan 0.000 0.469 344 N N 2.795 121.511 118.700 0.025 0.000 2.520 344 N HA 0.254 4.994 4.740 -0.000 0.000 0.273 344 N C -0.574 174.759 175.510 -0.296 0.000 1.155 344 N CA -0.492 52.474 53.050 -0.140 0.000 0.967 344 N CB 0.433 38.752 38.487 -0.280 0.000 1.092 344 N HN 0.561 nan 8.380 nan 0.000 0.457 345 Q N 1.594 121.174 119.800 -0.366 0.000 2.397 345 Q HA 0.430 4.769 4.340 -0.000 0.000 0.275 345 Q C -1.291 174.467 176.000 -0.404 0.000 1.090 345 Q CA -0.515 55.124 55.803 -0.273 0.000 0.809 345 Q CB 1.792 30.518 28.738 -0.021 0.000 1.362 345 Q HN 0.447 nan 8.270 nan 0.000 0.431 346 F N 1.236 121.277 119.950 0.152 0.000 2.421 346 F HA 0.530 5.057 4.527 -0.000 0.000 0.337 346 F C 0.197 176.084 175.800 0.146 0.000 1.105 346 F CA -0.705 57.395 58.000 0.167 0.000 1.049 346 F CB 0.968 40.064 39.000 0.161 0.000 1.139 346 F HN 0.183 nan 8.300 nan 0.000 0.479 347 L N 4.212 125.605 121.223 0.284 0.000 2.343 347 L HA 0.651 4.991 4.340 -0.000 0.000 0.278 347 L C -1.065 176.003 176.870 0.330 0.000 0.996 347 L CA -0.745 54.270 54.840 0.292 0.000 0.831 347 L CB 1.634 43.773 42.059 0.132 0.000 1.232 347 L HN 0.354 nan 8.230 nan 0.000 0.413 348 V N 2.747 122.787 119.914 0.211 0.000 2.604 348 V HA 0.305 4.425 4.120 -0.000 0.000 0.305 348 V C -0.069 175.682 176.094 -0.572 0.000 1.043 348 V CA -0.699 61.522 62.300 -0.131 0.000 0.888 348 V CB 1.941 33.600 31.823 -0.274 0.000 0.995 348 V HN 0.713 nan 8.190 nan 0.000 0.429 349 Q N 2.641 121.870 119.800 -0.951 0.000 2.352 349 Q HA 0.172 4.512 4.340 -0.000 0.000 0.260 349 Q C 1.498 177.250 176.000 -0.413 0.000 0.976 349 Q CA 0.040 55.133 55.803 -1.184 0.000 0.881 349 Q CB 0.835 29.185 28.738 -0.647 0.000 1.235 349 Q HN 0.675 nan 8.270 nan 0.000 0.419 350 R N 3.174 123.481 120.500 -0.322 0.000 2.133 350 R HA -0.253 4.087 4.340 -0.000 0.000 0.245 350 R C 1.626 177.908 176.300 -0.030 0.000 1.137 350 R CA 2.274 58.304 56.100 -0.118 0.000 0.947 350 R CB -0.925 29.314 30.300 -0.101 0.000 0.865 350 R HN 0.927 nan 8.270 nan 0.000 0.437 351 G N 0.938 109.716 108.800 -0.036 0.000 2.513 351 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 351 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 351 G C 1.463 176.389 174.900 0.043 0.000 1.160 351 G CA 1.138 46.245 45.100 0.012 0.000 0.767 351 G HN 0.488 nan 8.290 nan 0.000 0.571 352 I N -0.968 119.625 120.570 0.040 0.000 3.860 352 I HA 0.112 4.282 4.170 -0.000 0.000 0.319 352 I C 2.172 178.360 176.117 0.118 0.000 1.279 352 I CA 0.112 61.457 61.300 0.076 0.000 1.220 352 I CB -0.155 37.885 38.000 0.067 0.000 1.027 352 I HN 0.244 nan 8.210 nan 0.000 0.428 353 H N 1.890 120.962 119.070 0.003 0.000 2.306 353 H HA -0.292 4.264 4.556 -0.000 0.000 0.289 353 H C 1.401 176.803 175.328 0.123 0.000 1.081 353 H CA 2.783 58.859 56.048 0.047 0.000 1.163 353 H CB -0.292 29.461 29.762 -0.014 0.000 1.357 353 H HN 0.324 nan 8.280 nan 0.000 0.524 354 D N 0.304 120.935 120.400 0.386 0.000 2.126 354 D HA -0.171 4.469 4.640 -0.000 0.000 0.190 354 D C 2.323 178.702 176.300 0.131 0.000 1.001 354 D CA 1.794 55.951 54.000 0.262 0.000 0.841 354 D CB -0.883 40.016 40.800 0.165 0.000 0.949 354 D HN 0.540 nan 8.370 nan 0.000 0.446 355 A N 0.029 122.919 122.820 0.115 0.000 1.908 355 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 355 A C 2.185 179.809 177.584 0.066 0.000 1.181 355 A CA 1.434 53.518 52.037 0.078 0.000 0.627 355 A CB -1.032 18.017 19.000 0.082 0.000 0.818 355 A HN 0.306 nan 8.150 nan 0.000 0.445 356 F N 0.623 120.549 119.950 -0.040 0.000 2.084 356 F HA -0.144 4.383 4.527 -0.000 0.000 0.296 356 F C 2.249 178.017 175.800 -0.054 0.000 1.111 356 F CA 2.048 60.003 58.000 -0.076 0.000 1.224 356 F CB -0.331 38.599 39.000 -0.116 0.000 0.991 356 F HN 0.027 nan 8.300 nan 0.000 0.471 357 V N 1.094 120.987 119.914 -0.035 0.000 2.287 357 V HA -0.369 3.751 4.120 -0.000 0.000 0.248 357 V C 2.482 178.503 176.094 -0.123 0.000 1.053 357 V CA 2.447 64.694 62.300 -0.089 0.000 1.027 357 V CB -0.903 30.906 31.823 -0.023 0.000 0.646 357 V HN 0.365 nan 8.190 nan 0.000 0.447 358 K N 0.234 120.590 120.400 -0.073 0.000 2.026 358 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 358 K C 2.168 178.709 176.600 -0.098 0.000 1.048 358 K CA 1.660 57.908 56.287 -0.065 0.000 0.929 358 K CB -0.361 32.123 32.500 -0.026 0.000 0.713 358 K HN 0.427 nan 8.250 nan 0.000 0.439 359 A N 0.607 123.349 122.820 -0.130 0.000 1.969 359 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 359 A C 2.016 179.512 177.584 -0.148 0.000 1.169 359 A CA 0.957 52.912 52.037 -0.138 0.000 0.635 359 A CB -0.730 18.181 19.000 -0.148 0.000 0.810 359 A HN 0.542 nan 8.150 nan 0.000 0.445 360 F N 0.539 120.189 119.950 -0.501 0.000 2.084 360 F HA -0.127 4.400 4.527 -0.000 0.000 0.296 360 F C 2.671 178.282 175.800 -0.316 0.000 1.111 360 F CA 0.840 58.519 58.000 -0.535 0.000 1.224 360 F CB -0.084 38.414 39.000 -0.837 0.000 0.991 360 F HN 0.331 nan 8.300 nan 0.000 0.471 361 A N 0.458 123.168 122.820 -0.183 0.000 1.908 361 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 361 A C 1.875 179.366 177.584 -0.156 0.000 1.181 361 A CA 1.987 53.883 52.037 -0.236 0.000 0.627 361 A CB -0.922 17.967 19.000 -0.185 0.000 0.818 361 A HN 0.579 nan 8.150 nan 0.000 0.445 362 E N -0.325 119.811 120.200 -0.106 0.000 2.153 362 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 362 E C 2.217 178.773 176.600 -0.073 0.000 0.988 362 E CA 0.927 57.278 56.400 -0.082 0.000 0.811 362 E CB -0.269 29.392 29.700 -0.065 0.000 0.746 362 E HN 0.647 nan 8.360 nan 0.000 0.466 363 A N 0.836 123.623 122.820 -0.054 0.000 1.968 363 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 363 A C 2.107 179.652 177.584 -0.065 0.000 1.169 363 A CA 0.881 52.900 52.037 -0.031 0.000 0.638 363 A CB -0.295 18.716 19.000 0.017 0.000 0.812 363 A HN 0.112 nan 8.150 nan 0.000 0.446 364 M N -0.595 118.928 119.600 -0.129 0.000 2.117 364 M HA -0.140 4.340 4.480 -0.000 0.000 0.262 364 M C 2.253 178.427 176.300 -0.211 0.000 1.065 364 M CA 1.998 57.138 55.300 -0.266 0.000 1.114 364 M CB -0.237 32.106 32.600 -0.429 0.000 1.361 364 M HN 0.485 nan 8.290 nan 0.000 0.408 365 K N 0.686 120.991 120.400 -0.158 0.000 2.148 365 K HA -0.175 4.145 4.320 -0.000 0.000 0.204 365 K C 2.021 178.568 176.600 -0.088 0.000 1.050 365 K CA 1.237 57.452 56.287 -0.120 0.000 0.942 365 K CB 0.031 32.470 32.500 -0.102 0.000 0.724 365 K HN 0.174 nan 8.250 nan 0.000 0.446 366 K N -0.271 120.084 120.400 -0.076 0.000 2.211 366 K HA -0.006 4.314 4.320 -0.000 0.000 0.201 366 K C 1.044 177.617 176.600 -0.045 0.000 1.052 366 K CA 0.832 57.088 56.287 -0.052 0.000 0.973 366 K CB 0.246 32.721 32.500 -0.040 0.000 0.766 366 K HN 0.168 nan 8.250 nan 0.000 0.466 367 N N 0.239 118.907 118.700 -0.053 0.000 2.348 367 N HA 0.093 4.833 4.740 -0.000 0.000 0.183 367 N C -0.102 175.380 175.510 -0.046 0.000 1.094 367 N CA 0.083 53.112 53.050 -0.035 0.000 0.885 367 N CB 0.702 39.183 38.487 -0.010 0.000 1.065 367 N HN 0.080 nan 8.380 nan 0.000 0.472 368 L N 1.706 122.871 121.223 -0.096 0.000 2.281 368 L HA 0.372 4.712 4.340 -0.000 0.000 0.285 368 L C 0.041 176.868 176.870 -0.072 0.000 1.074 368 L CA -0.371 54.404 54.840 -0.107 0.000 0.817 368 L CB 0.812 42.730 42.059 -0.236 0.000 1.168 368 L HN -0.283 nan 8.230 nan 0.000 0.434 369 R N 2.462 122.937 120.500 -0.042 0.000 2.358 369 R HA 0.399 4.739 4.340 -0.000 0.000 0.309 369 R C -1.018 175.249 176.300 -0.053 0.000 1.026 369 R CA -0.414 55.663 56.100 -0.038 0.000 0.909 369 R CB 1.464 31.748 30.300 -0.026 0.000 1.153 369 R HN 0.344 nan 8.270 nan 0.000 0.515 370 V N 3.337 123.192 119.914 -0.098 0.000 2.637 370 V HA 0.733 4.853 4.120 -0.000 0.000 0.296 370 V C 1.011 176.900 176.094 -0.342 0.000 1.046 370 V CA 0.573 62.743 62.300 -0.216 0.000 1.066 370 V CB 0.951 32.500 31.823 -0.456 0.000 0.968 370 V HN 0.934 nan 8.190 nan 0.000 0.483 371 G N 3.715 112.341 108.800 -0.291 0.000 2.325 371 G HA2 0.119 4.079 3.960 -0.000 0.000 0.295 371 G HA3 0.119 4.079 3.960 -0.000 0.000 0.295 371 G C -1.180 173.722 174.900 0.002 0.000 1.274 371 G CA -0.771 44.135 45.100 -0.323 0.000 0.857 371 G HN 0.608 nan 8.290 nan 0.000 0.499 372 N N 0.653 119.388 118.700 0.059 0.000 2.497 372 N HA 0.258 4.998 4.740 -0.000 0.000 0.271 372 N C 1.636 177.233 175.510 0.145 0.000 1.142 372 N CA 0.680 53.855 53.050 0.209 0.000 0.965 372 N CB 1.420 40.031 38.487 0.208 0.000 1.077 372 N HN 0.809 nan 8.380 nan 0.000 0.462 373 G N 2.858 111.714 108.800 0.092 0.000 2.501 373 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.220 373 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.220 373 G C 0.925 175.736 174.900 -0.148 0.000 1.114 373 G CA 0.507 45.565 45.100 -0.070 0.000 0.757 373 G HN 0.656 nan 8.290 nan 0.000 0.559 374 F N 0.641 120.622 119.950 0.051 0.000 2.743 374 F HA 0.244 4.771 4.527 0.000 0.000 0.297 374 F C 1.332 177.154 175.800 0.036 0.000 1.131 374 F CA -0.007 58.016 58.000 0.038 0.000 1.426 374 F CB 0.343 39.360 39.000 0.028 0.000 1.116 374 F HN 0.093 nan 8.300 nan 0.000 0.583 375 E N 1.338 121.652 120.200 0.188 0.000 2.313 375 E HA 0.063 4.413 4.350 -0.000 0.000 0.276 375 E C 0.004 176.651 176.600 0.077 0.000 1.031 375 E CA -0.514 55.955 56.400 0.115 0.000 0.857 375 E CB 0.611 30.359 29.700 0.079 0.000 1.040 375 E HN 0.066 nan 8.360 nan 0.000 0.408 376 E N 1.023 121.262 120.200 0.065 0.000 2.529 376 E HA -0.056 4.294 4.350 -0.000 0.000 0.259 376 E C 0.940 177.561 176.600 0.034 0.000 0.966 376 E CA 0.968 57.397 56.400 0.048 0.000 0.937 376 E CB 0.678 30.401 29.700 0.038 0.000 0.923 376 E HN 0.926 nan 8.360 nan 0.000 0.468 377 G N 3.393 112.212 108.800 0.032 0.000 2.179 377 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 377 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 377 G C 0.540 175.451 174.900 0.018 0.000 0.977 377 G CA 0.512 45.625 45.100 0.022 0.000 0.641 377 G HN 0.508 nan 8.290 nan 0.000 0.533 378 T N 0.909 115.478 114.554 0.025 0.000 2.870 378 T HA 0.476 4.826 4.350 -0.000 0.000 0.300 378 T C 1.283 176.003 174.700 0.033 0.000 0.989 378 T CA 1.097 63.210 62.100 0.022 0.000 1.139 378 T CB 1.325 70.213 68.868 0.032 0.000 0.920 378 T HN 0.169 nan 8.240 nan 0.000 0.537 379 T N 2.566 117.140 114.554 0.033 0.000 2.958 379 T HA 0.147 4.497 4.350 -0.000 0.000 0.256 379 T C 0.255 175.005 174.700 0.082 0.000 0.983 379 T CA 0.035 62.167 62.100 0.053 0.000 0.924 379 T CB 0.433 69.323 68.868 0.036 0.000 1.136 379 T HN 0.326 nan 8.240 nan 0.000 0.506 380 Q N 1.357 121.204 119.800 0.078 0.000 2.303 380 Q HA 0.535 4.875 4.340 -0.000 0.000 0.267 380 Q C -0.022 176.077 176.000 0.165 0.000 1.011 380 Q CA -0.270 55.608 55.803 0.126 0.000 0.740 380 Q CB 1.854 30.659 28.738 0.113 0.000 1.250 380 Q HN 0.424 nan 8.270 nan 0.000 0.458 381 G N 3.099 111.997 108.800 0.164 0.000 2.535 381 G HA2 0.547 4.507 3.960 -0.000 0.000 0.282 381 G HA3 0.547 4.507 3.960 -0.000 0.000 0.282 381 G C -2.308 172.678 174.900 0.144 0.000 1.350 381 G CA -0.720 44.493 45.100 0.188 0.000 1.039 381 G HN 0.319 nan 8.290 nan 0.000 0.509 382 P HA 0.270 nan 4.420 nan 0.000 0.278 382 P C -0.172 177.003 177.300 -0.208 0.000 1.266 382 P CA -0.508 62.282 63.100 -0.516 0.000 0.807 382 P CB 1.239 32.333 31.700 -1.010 0.000 1.094 383 L N 1.314 122.427 121.223 -0.184 0.000 2.466 383 L HA 0.097 4.437 4.340 -0.000 0.000 0.257 383 L C 2.203 178.927 176.870 -0.244 0.000 1.189 383 L CA -0.227 54.547 54.840 -0.111 0.000 0.813 383 L CB 0.105 42.129 42.059 -0.059 0.000 1.118 383 L HN 0.367 nan 8.230 nan 0.000 0.471 384 I N 1.163 121.508 120.570 -0.375 0.000 2.394 384 I HA -0.189 3.981 4.170 -0.000 0.000 0.251 384 I C 0.642 176.534 176.117 -0.375 0.000 1.136 384 I CA 1.102 62.053 61.300 -0.582 0.000 1.425 384 I CB -0.162 37.080 38.000 -1.264 0.000 1.079 384 I HN 0.934 nan 8.210 nan 0.000 0.425 385 N N -2.613 115.925 118.700 -0.270 0.000 3.179 385 N HA 0.097 4.837 4.740 -0.000 0.000 0.250 385 N C 0.360 175.804 175.510 -0.110 0.000 1.507 385 N CA -0.284 52.660 53.050 -0.176 0.000 0.883 385 N CB 0.252 38.637 38.487 -0.170 0.000 1.435 385 N HN -0.158 nan 8.380 nan 0.000 0.532 386 E N 0.089 120.247 120.200 -0.071 0.000 2.118 386 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 386 E C 0.845 177.427 176.600 -0.029 0.000 0.992 386 E CA 1.666 58.047 56.400 -0.033 0.000 0.804 386 E CB 0.016 29.706 29.700 -0.017 0.000 0.741 386 E HN 0.473 nan 8.360 nan 0.000 0.458 387 K N 0.351 120.726 120.400 -0.042 0.000 2.097 387 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 387 K C 2.109 178.688 176.600 -0.036 0.000 1.049 387 K CA 1.194 57.460 56.287 -0.034 0.000 0.933 387 K CB -0.795 31.683 32.500 -0.037 0.000 0.717 387 K HN 0.259 nan 8.250 nan 0.000 0.442 388 A N 1.318 124.106 122.820 -0.053 0.000 1.883 388 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 388 A C 2.562 180.112 177.584 -0.057 0.000 1.186 388 A CA 1.874 53.884 52.037 -0.044 0.000 0.624 388 A CB -0.808 18.152 19.000 -0.066 0.000 0.822 388 A HN 0.056 nan 8.150 nan 0.000 0.444 389 V N 0.029 119.916 119.914 -0.045 0.000 2.287 389 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 389 V C 2.417 178.481 176.094 -0.050 0.000 1.053 389 V CA 2.410 64.690 62.300 -0.033 0.000 1.027 389 V CB -0.992 30.872 31.823 0.070 0.000 0.646 389 V HN 0.644 nan 8.190 nan 0.000 0.447 390 E N -0.087 120.106 120.200 -0.011 0.000 2.085 390 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 390 E C 2.346 178.937 176.600 -0.014 0.000 0.994 390 E CA 1.442 57.843 56.400 0.002 0.000 0.801 390 E CB -0.169 29.535 29.700 0.007 0.000 0.743 390 E HN 0.567 nan 8.360 nan 0.000 0.453 391 K N 0.249 120.632 120.400 -0.028 0.000 2.097 391 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 391 K C 2.183 178.767 176.600 -0.027 0.000 1.049 391 K CA 1.075 57.357 56.287 -0.008 0.000 0.933 391 K CB -0.057 32.431 32.500 -0.020 0.000 0.717 391 K HN 0.012 nan 8.250 nan 0.000 0.442 392 V N 1.696 121.521 119.914 -0.147 0.000 2.295 392 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 392 V C 2.063 177.986 176.094 -0.286 0.000 1.049 392 V CA 1.726 63.843 62.300 -0.305 0.000 1.024 392 V CB -0.404 31.031 31.823 -0.646 0.000 0.648 392 V HN 0.333 nan 8.190 nan 0.000 0.447 393 E N -0.259 119.816 120.200 -0.208 0.000 2.058 393 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 393 E C 2.402 179.017 176.600 0.026 0.000 0.997 393 E CA 1.206 57.610 56.400 0.007 0.000 0.801 393 E CB -0.130 29.633 29.700 0.104 0.000 0.746 393 E HN 0.372 nan 8.360 nan 0.000 0.450 394 K N 0.637 121.057 120.400 0.033 0.000 1.987 394 K HA -0.262 4.058 4.320 -0.000 0.000 0.216 394 K C 2.223 178.845 176.600 0.037 0.000 1.051 394 K CA 1.743 58.084 56.287 0.090 0.000 0.942 394 K CB -0.562 32.040 32.500 0.170 0.000 0.722 394 K HN 0.057 nan 8.250 nan 0.000 0.444 395 Q N 0.959 120.707 119.800 -0.086 0.000 2.112 395 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 395 Q C 1.970 177.839 176.000 -0.218 0.000 0.987 395 Q CA 1.873 57.390 55.803 -0.477 0.000 0.858 395 Q CB -0.336 28.129 28.738 -0.456 0.000 0.905 395 Q HN 0.114 nan 8.270 nan 0.000 0.420 396 V N 1.247 121.109 119.914 -0.086 0.000 2.261 396 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 396 V C 2.070 178.172 176.094 0.014 0.000 1.047 396 V CA 2.122 64.422 62.300 0.001 0.000 1.015 396 V CB -0.839 31.046 31.823 0.103 0.000 0.642 396 V HN 0.476 nan 8.190 nan 0.000 0.446 397 N N 0.464 119.182 118.700 0.030 0.000 2.084 397 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 397 N C 1.532 177.054 175.510 0.021 0.000 1.030 397 N CA 1.786 54.857 53.050 0.036 0.000 0.849 397 N CB -0.555 37.962 38.487 0.050 0.000 1.012 397 N HN 0.496 nan 8.380 nan 0.000 0.423 398 D N 0.874 121.280 120.400 0.009 0.000 2.219 398 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 398 D C 1.787 178.085 176.300 -0.002 0.000 0.970 398 D CA 0.741 54.751 54.000 0.015 0.000 0.851 398 D CB -0.173 40.653 40.800 0.044 0.000 0.943 398 D HN 0.242 nan 8.370 nan 0.000 0.488 399 A N 0.659 123.461 122.820 -0.031 0.000 1.872 399 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 399 A C 2.524 180.114 177.584 0.009 0.000 1.187 399 A CA 0.964 52.991 52.037 -0.017 0.000 0.614 399 A CB -0.704 18.278 19.000 -0.031 0.000 0.826 399 A HN 0.125 nan 8.150 nan 0.000 0.442 400 V N 1.220 121.142 119.914 0.014 0.000 2.343 400 V HA -0.216 3.904 4.120 -0.000 0.000 0.247 400 V C 2.732 178.838 176.094 0.021 0.000 1.051 400 V CA 2.240 64.553 62.300 0.022 0.000 1.036 400 V CB -0.954 30.885 31.823 0.026 0.000 0.654 400 V HN 0.786 nan 8.190 nan 0.000 0.451 401 S N -0.660 115.053 115.700 0.021 0.000 2.653 401 S HA -0.057 4.413 4.470 -0.000 0.000 0.233 401 S C 1.259 175.872 174.600 0.021 0.000 0.970 401 S CA 0.853 59.066 58.200 0.022 0.000 0.947 401 S CB -0.361 62.853 63.200 0.024 0.000 0.771 401 S HN 0.694 nan 8.310 nan 0.000 0.538 402 K N -0.322 120.090 120.400 0.021 0.000 2.483 402 K HA 0.354 4.674 4.320 -0.000 0.000 0.206 402 K C 0.987 177.601 176.600 0.023 0.000 1.086 402 K CA 0.316 56.617 56.287 0.023 0.000 1.052 402 K CB 0.989 33.503 32.500 0.025 0.000 0.904 402 K HN 0.413 nan 8.250 nan 0.000 0.557 403 G N 1.097 109.910 108.800 0.023 0.000 2.284 403 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.201 403 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.201 403 G C 0.297 175.213 174.900 0.028 0.000 0.998 403 G CA -0.224 44.890 45.100 0.024 0.000 0.651 403 G HN 0.369 nan 8.290 nan 0.000 0.489 404 A N 0.282 123.120 122.820 0.031 0.000 2.507 404 A HA 0.578 4.898 4.320 -0.000 0.000 0.235 404 A C 0.539 178.143 177.584 0.034 0.000 1.070 404 A CA 1.651 53.710 52.037 0.037 0.000 0.768 404 A CB 0.219 19.240 19.000 0.036 0.000 1.011 404 A HN 0.860 nan 8.150 nan 0.000 0.502 405 T N 1.246 115.824 114.554 0.040 0.000 2.812 405 T HA 0.491 4.841 4.350 -0.000 0.000 0.282 405 T C -0.128 174.590 174.700 0.029 0.000 0.990 405 T CA -0.212 61.907 62.100 0.032 0.000 0.960 405 T CB 1.126 70.014 68.868 0.034 0.000 0.948 405 T HN 1.248 nan 8.240 nan 0.000 0.438 406 V N 2.466 122.392 119.914 0.019 0.000 2.498 406 V HA 0.461 4.581 4.120 -0.000 0.000 0.279 406 V C 0.625 176.715 176.094 -0.007 0.000 1.048 406 V CA -0.194 62.113 62.300 0.011 0.000 0.967 406 V CB 0.953 32.783 31.823 0.012 0.000 0.988 406 V HN 0.692 nan 8.190 nan 0.000 0.473 407 V N 3.333 123.232 119.914 -0.024 0.000 2.795 407 V HA 0.168 4.288 4.120 -0.000 0.000 0.243 407 V C 0.968 177.020 176.094 -0.071 0.000 1.069 407 V CA 1.452 63.724 62.300 -0.047 0.000 1.089 407 V CB 0.151 31.934 31.823 -0.067 0.000 0.756 407 V HN 1.036 nan 8.190 nan 0.000 0.471 408 T N 0.494 114.999 114.554 -0.080 0.000 3.011 408 T HA 0.550 4.900 4.350 -0.000 0.000 0.303 408 T C 0.306 174.963 174.700 -0.072 0.000 0.997 408 T CA -0.220 61.822 62.100 -0.096 0.000 1.007 408 T CB 1.382 70.161 68.868 -0.148 0.000 1.017 408 T HN 0.491 nan 8.240 nan 0.000 0.443 409 G N 1.724 110.477 108.800 -0.078 0.000 2.924 409 G HA2 0.157 4.117 3.960 -0.000 0.000 0.330 409 G HA3 0.157 4.117 3.960 -0.000 0.000 0.330 409 G C 0.583 175.442 174.900 -0.069 0.000 0.207 409 G CA 0.019 45.066 45.100 -0.088 0.000 1.226 409 G HN 1.162 nan 8.290 nan 0.000 0.313 410 G N 2.863 111.638 108.800 -0.042 0.000 4.829 410 G HA2 0.614 4.574 3.960 -0.000 0.000 0.320 410 G HA3 0.614 4.574 3.960 -0.000 0.000 0.320 410 G C 0.212 175.101 174.900 -0.019 0.000 1.445 410 G CA -0.220 44.916 45.100 0.061 0.000 1.151 410 G HN 0.981 nan 8.290 nan 0.000 0.572 411 K N -0.742 119.384 120.400 -0.456 0.000 2.466 411 K HA 0.572 4.892 4.320 -0.000 0.000 0.277 411 K C -0.501 175.395 176.600 -1.175 0.000 1.039 411 K CA -1.292 54.664 56.287 -0.551 0.000 0.904 411 K CB 1.681 34.047 32.500 -0.223 0.000 1.506 411 K HN 0.035 nan 8.250 nan 0.000 0.441 412 R N 1.067 121.229 120.500 -0.564 0.000 2.679 412 R HA 0.027 4.367 4.340 -0.000 0.000 0.268 412 R C 0.344 176.511 176.300 -0.220 0.000 1.044 412 R CA -0.276 55.640 56.100 -0.307 0.000 1.105 412 R CB 0.128 30.444 30.300 0.026 0.000 0.989 412 R HN 0.453 nan 8.270 nan 0.000 0.447 413 H N 1.980 120.965 119.070 -0.142 0.000 2.679 413 H HA -0.064 4.492 4.556 -0.000 0.000 0.369 413 H C 0.798 176.094 175.328 -0.053 0.000 1.178 413 H CA 0.025 56.019 56.048 -0.090 0.000 1.419 413 H CB 1.392 31.155 29.762 0.000 0.000 1.458 413 H HN 0.594 nan 8.280 nan 0.000 0.605 414 Q N 3.132 122.654 119.800 -0.463 0.000 2.364 414 Q HA -0.060 4.280 4.340 -0.000 0.000 0.209 414 Q C 1.567 177.591 176.000 0.039 0.000 0.977 414 Q CA 1.371 57.054 55.803 -0.199 0.000 0.885 414 Q CB -0.377 28.186 28.738 -0.292 0.000 0.941 414 Q HN 0.709 nan 8.270 nan 0.000 0.464 415 L N -0.118 121.300 121.223 0.324 0.000 2.376 415 L HA 0.120 4.460 4.340 -0.000 0.000 0.219 415 L C 1.344 178.333 176.870 0.198 0.000 1.133 415 L CA 0.382 55.320 54.840 0.164 0.000 0.816 415 L CB -0.897 41.081 42.059 -0.135 0.000 0.933 415 L HN 0.607 nan 8.230 nan 0.000 0.449 416 G N 0.162 109.105 108.800 0.239 0.000 2.552 416 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.265 416 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.265 416 G C 0.298 175.372 174.900 0.289 0.000 1.234 416 G CA 0.184 45.411 45.100 0.211 0.000 0.944 416 G HN 0.322 nan 8.290 nan 0.000 0.568 417 K N -2.493 118.018 120.400 0.185 0.000 1.699 417 K HA -0.279 4.041 4.320 -0.000 0.000 0.127 417 K C 1.073 177.718 176.600 0.075 0.000 1.157 417 K CA 1.660 58.026 56.287 0.132 0.000 0.341 417 K CB -1.320 31.282 32.500 0.170 0.000 0.645 417 K HN 0.556 nan 8.250 nan 0.000 0.848 418 N N 0.710 119.366 118.700 -0.073 0.000 2.270 418 N HA 0.170 4.910 4.740 -0.000 0.000 0.198 418 N C -0.398 175.003 175.510 -0.181 0.000 1.117 418 N CA 0.406 53.354 53.050 -0.170 0.000 0.845 418 N CB 0.092 38.402 38.487 -0.294 0.000 0.980 418 N HN 0.116 nan 8.380 nan 0.000 0.486 419 F N 0.296 120.300 119.950 0.090 0.000 2.396 419 F HA 0.340 4.867 4.527 -0.000 0.000 0.343 419 F C 0.289 176.216 175.800 0.213 0.000 1.104 419 F CA -0.717 57.342 58.000 0.098 0.000 1.161 419 F CB 0.612 39.596 39.000 -0.027 0.000 1.146 419 F HN -0.167 nan 8.300 nan 0.000 0.522 420 F N 1.958 122.059 119.950 0.252 0.000 2.563 420 F HA 0.401 4.928 4.527 -0.000 0.000 0.316 420 F C -0.267 175.658 175.800 0.208 0.000 1.076 420 F CA -0.957 57.164 58.000 0.201 0.000 0.921 420 F CB 1.369 40.450 39.000 0.136 0.000 1.209 420 F HN 0.465 nan 8.300 nan 0.000 0.462 421 E N 4.833 124.923 120.200 -0.183 0.000 2.360 421 E HA 0.180 4.530 4.350 -0.000 0.000 0.269 421 E C -2.426 174.265 176.600 0.152 0.000 1.022 421 E CA -1.686 54.709 56.400 -0.009 0.000 0.887 421 E CB 0.213 29.804 29.700 -0.181 0.000 0.990 421 E HN 0.241 nan 8.360 nan 0.000 0.426 422 P HA -0.037 nan 4.420 nan 0.000 0.262 422 P C -1.043 176.288 177.300 0.052 0.000 1.199 422 P CA 0.536 63.668 63.100 0.054 0.000 0.763 422 P CB 0.513 32.022 31.700 -0.318 0.000 0.790 423 T N 4.667 119.346 114.554 0.207 0.000 2.829 423 T HA 0.551 4.900 4.350 -0.000 0.000 0.280 423 T C -0.519 174.233 174.700 0.086 0.000 0.999 423 T CA -0.531 61.653 62.100 0.141 0.000 0.983 423 T CB 0.766 69.790 68.868 0.260 0.000 0.968 423 T HN 0.227 nan 8.240 nan 0.000 0.446 424 L N 4.497 125.703 121.223 -0.029 0.000 2.376 424 L HA 0.637 4.977 4.340 -0.000 0.000 0.275 424 L C -1.602 175.246 176.870 -0.038 0.000 0.987 424 L CA -0.851 53.927 54.840 -0.104 0.000 0.828 424 L CB 0.825 42.699 42.059 -0.309 0.000 1.249 424 L HN 0.538 nan 8.230 nan 0.000 0.409 425 L N 4.746 125.979 121.223 0.016 0.000 2.362 425 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 425 L C -0.186 176.730 176.870 0.077 0.000 1.002 425 L CA -0.768 54.099 54.840 0.044 0.000 0.818 425 L CB 1.936 44.031 42.059 0.059 0.000 1.298 425 L HN 0.713 nan 8.230 nan 0.000 0.420 426 C N -0.524 118.830 119.300 0.089 0.000 2.967 426 C HA 0.568 5.028 4.460 -0.000 0.000 0.372 426 C C 0.700 175.768 174.990 0.130 0.000 1.455 426 C CA -0.606 58.501 59.018 0.149 0.000 1.638 426 C CB 1.680 29.535 27.740 0.192 0.000 2.096 426 C HN 0.984 nan 8.230 nan 0.000 0.466 427 N N -0.761 118.031 118.700 0.153 0.000 2.753 427 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 427 N C -0.255 175.306 175.510 0.085 0.000 1.097 427 N CA 0.984 54.088 53.050 0.091 0.000 0.786 427 N CB -1.209 37.312 38.487 0.057 0.000 1.137 427 N HN 0.732 nan 8.380 nan 0.000 0.566 428 V N 0.546 120.527 119.914 0.111 0.000 2.775 428 V HA 0.296 4.416 4.120 -0.000 0.000 0.299 428 V C 1.161 177.311 176.094 0.093 0.000 1.062 428 V CA 0.238 62.594 62.300 0.094 0.000 1.063 428 V CB 1.783 33.671 31.823 0.109 0.000 0.994 428 V HN 0.202 nan 8.190 nan 0.000 0.483 429 T N 1.518 116.115 114.554 0.072 0.000 2.950 429 T HA 0.240 4.590 4.350 -0.000 0.000 0.288 429 T C 0.733 175.473 174.700 0.066 0.000 1.035 429 T CA -0.241 61.900 62.100 0.069 0.000 1.028 429 T CB 1.748 70.647 68.868 0.053 0.000 1.109 429 T HN 0.839 nan 8.240 nan 0.000 0.514 430 Q N 0.613 120.452 119.800 0.064 0.000 2.014 430 Q HA -0.181 4.159 4.340 -0.000 0.000 0.207 430 Q C 1.567 177.596 176.000 0.048 0.000 0.993 430 Q CA 2.635 58.472 55.803 0.056 0.000 0.850 430 Q CB -0.169 28.598 28.738 0.047 0.000 0.916 430 Q HN 0.849 nan 8.270 nan 0.000 0.417 431 D N -0.324 120.103 120.400 0.044 0.000 2.309 431 D HA -0.204 4.436 4.640 -0.000 0.000 0.212 431 D C 1.587 177.917 176.300 0.050 0.000 0.968 431 D CA 0.877 54.903 54.000 0.043 0.000 0.882 431 D CB -0.346 40.476 40.800 0.037 0.000 0.918 431 D HN 0.425 nan 8.370 nan 0.000 0.503 432 M N -0.001 119.626 119.600 0.046 0.000 2.632 432 M HA 0.023 4.503 4.480 -0.000 0.000 0.256 432 M C 1.650 177.972 176.300 0.036 0.000 1.080 432 M CA 0.620 55.941 55.300 0.037 0.000 1.084 432 M CB 0.013 32.628 32.600 0.025 0.000 1.439 432 M HN 0.013 nan 8.290 nan 0.000 0.509 433 L N -1.210 120.048 121.223 0.059 0.000 2.592 433 L HA 0.077 4.416 4.340 -0.000 0.000 0.227 433 L C 0.705 177.660 176.870 0.143 0.000 1.127 433 L CA -0.585 54.302 54.840 0.078 0.000 0.884 433 L CB -0.089 42.005 42.059 0.058 0.000 1.065 433 L HN 0.211 nan 8.230 nan 0.000 0.457 434 C N 1.218 120.600 119.300 0.136 0.000 2.657 434 C HA 0.114 4.574 4.460 -0.000 0.000 0.420 434 C C 1.935 176.991 174.990 0.111 0.000 1.323 434 C CA 0.627 59.707 59.018 0.104 0.000 1.894 434 C CB 0.097 27.876 27.740 0.065 0.000 2.681 434 C HN 0.807 nan 8.230 nan 0.000 0.613 435 T N -1.009 113.526 114.554 -0.032 0.000 6.387 435 T HA -0.304 4.046 4.350 -0.000 0.000 0.290 435 T C 0.083 174.529 174.700 -0.423 0.000 1.901 435 T CA 1.996 63.972 62.100 -0.206 0.000 3.035 435 T CB -2.371 66.340 68.868 -0.261 0.000 1.917 435 T HN 0.976 nan 8.240 nan 0.000 1.121 436 H N -0.602 118.441 119.070 -0.045 0.000 2.916 436 H HA 0.452 5.008 4.556 -0.000 0.000 0.262 436 H C 1.420 176.689 175.328 -0.097 0.000 1.178 436 H CA 0.039 56.044 56.048 -0.072 0.000 1.090 436 H CB 0.455 30.185 29.762 -0.053 0.000 1.657 436 H HN 0.433 nan 8.280 nan 0.000 0.601 437 E N 1.048 121.245 120.200 -0.004 0.000 2.273 437 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 437 E C 0.461 176.993 176.600 -0.113 0.000 1.002 437 E CA 1.088 57.471 56.400 -0.028 0.000 0.828 437 E CB 0.090 29.781 29.700 -0.016 0.000 0.747 437 E HN 0.578 nan 8.360 nan 0.000 0.491 438 E N -0.260 119.820 120.200 -0.199 0.000 2.869 438 E HA 0.130 4.480 4.350 -0.000 0.000 0.207 438 E C -0.729 175.468 176.600 -0.671 0.000 0.986 438 E CA -0.072 56.069 56.400 -0.432 0.000 1.131 438 E CB 1.033 30.593 29.700 -0.234 0.000 1.098 438 E HN -0.079 nan 8.360 nan 0.000 0.459 439 T N 1.485 115.760 114.554 -0.465 0.000 2.811 439 T HA 0.296 4.646 4.350 -0.000 0.000 0.309 439 T C -0.410 174.105 174.700 -0.309 0.000 1.005 439 T CA -0.353 61.558 62.100 -0.315 0.000 0.955 439 T CB -0.145 68.691 68.868 -0.052 0.000 0.970 439 T HN -0.028 nan 8.240 nan 0.000 0.496 440 F N 1.821 121.817 119.950 0.076 0.000 2.377 440 F HA 0.764 5.291 4.527 0.000 0.000 0.328 440 F C 1.190 177.025 175.800 0.057 0.000 1.094 440 F CA -0.552 57.496 58.000 0.079 0.000 1.093 440 F CB 1.280 40.360 39.000 0.132 0.000 1.214 440 F HN 0.755 nan 8.300 nan 0.000 0.518 441 G N 1.381 110.335 108.800 0.256 0.000 2.350 441 G HA2 0.227 4.187 3.960 -0.000 0.000 0.304 441 G HA3 0.227 4.187 3.960 -0.000 0.000 0.304 441 G C -3.114 171.880 174.900 0.156 0.000 1.421 441 G CA -1.151 44.043 45.100 0.156 0.000 0.934 441 G HN 0.397 nan 8.290 nan 0.000 0.632 442 P HA 0.296 nan 4.420 nan 0.000 0.232 442 P C -0.577 176.952 177.300 0.382 0.000 1.738 442 P CA 0.096 63.431 63.100 0.392 0.000 0.948 442 P CB 0.067 32.071 31.700 0.506 0.000 1.943 443 L N 1.041 122.385 121.223 0.202 0.000 2.376 443 L HA 0.717 5.056 4.340 -0.000 0.000 0.275 443 L C -0.984 175.982 176.870 0.160 0.000 0.987 443 L CA -1.022 53.921 54.840 0.172 0.000 0.828 443 L CB 1.824 43.926 42.059 0.071 0.000 1.249 443 L HN 0.080 nan 8.230 nan 0.000 0.409 444 A N 6.641 129.577 122.820 0.193 0.000 2.360 444 A HA 0.830 5.150 4.320 -0.000 0.000 0.309 444 A C -2.748 174.978 177.584 0.238 0.000 1.311 444 A CA -1.289 50.914 52.037 0.276 0.000 0.805 444 A CB 0.455 19.603 19.000 0.247 0.000 1.144 444 A HN 0.563 nan 8.150 nan 0.000 0.486 445 P HA 0.355 nan 4.420 nan 0.000 0.293 445 P C -0.588 176.892 177.300 0.300 0.000 1.300 445 P CA -0.158 63.066 63.100 0.206 0.000 0.792 445 P CB 1.671 33.453 31.700 0.136 0.000 0.925 446 V N 6.082 126.148 119.914 0.253 0.000 2.370 446 V HA 0.338 4.458 4.120 -0.000 0.000 0.279 446 V C 0.383 176.632 176.094 0.258 0.000 1.029 446 V CA -0.311 62.162 62.300 0.288 0.000 0.870 446 V CB 0.837 32.793 31.823 0.222 0.000 0.984 446 V HN 0.425 nan 8.190 nan 0.000 0.451 447 I N 4.994 125.720 120.570 0.261 0.000 2.378 447 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 447 I C 0.182 176.467 176.117 0.280 0.000 0.992 447 I CA -0.539 60.902 61.300 0.235 0.000 1.154 447 I CB 1.566 39.680 38.000 0.191 0.000 1.315 447 I HN 0.530 nan 8.210 nan 0.000 0.448 448 K N 6.875 127.426 120.400 0.251 0.000 2.144 448 K HA 0.542 4.862 4.320 -0.000 0.000 0.270 448 K C -1.255 175.461 176.600 0.193 0.000 1.005 448 K CA -0.284 56.123 56.287 0.200 0.000 0.932 448 K CB 1.012 33.540 32.500 0.046 0.000 1.021 448 K HN 0.498 nan 8.250 nan 0.000 0.462 449 F N 0.564 120.557 119.950 0.071 0.000 2.626 449 F HA 0.410 4.937 4.527 -0.000 0.000 0.311 449 F C -0.342 175.487 175.800 0.049 0.000 1.088 449 F CA -0.970 57.056 58.000 0.044 0.000 0.949 449 F CB 1.201 40.217 39.000 0.025 0.000 1.322 449 F HN 0.430 nan 8.300 nan 0.000 0.461 450 D N -0.025 120.523 120.400 0.247 0.000 2.338 450 D HA 0.109 4.749 4.640 -0.000 0.000 0.224 450 D C 0.649 177.113 176.300 0.274 0.000 0.967 450 D CA 1.803 55.884 54.000 0.134 0.000 0.896 450 D CB 0.298 41.160 40.800 0.103 0.000 1.028 450 D HN 0.722 nan 8.370 nan 0.000 0.493 451 T N -2.250 112.548 114.554 0.407 0.000 2.924 451 T HA 0.336 4.686 4.350 -0.000 0.000 0.291 451 T C 0.909 175.824 174.700 0.360 0.000 1.045 451 T CA -0.782 61.524 62.100 0.343 0.000 1.015 451 T CB 2.795 71.767 68.868 0.174 0.000 1.103 451 T HN -0.051 nan 8.240 nan 0.000 0.496 452 E N 0.628 121.008 120.200 0.300 0.000 2.085 452 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 452 E C 1.702 178.324 176.600 0.037 0.000 0.994 452 E CA 1.701 58.238 56.400 0.228 0.000 0.801 452 E CB -0.084 29.650 29.700 0.057 0.000 0.743 452 E HN 0.857 nan 8.360 nan 0.000 0.453 453 E N 0.400 120.617 120.200 0.029 0.000 2.085 453 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 453 E C 2.084 178.666 176.600 -0.030 0.000 0.994 453 E CA 1.405 57.800 56.400 -0.008 0.000 0.801 453 E CB -0.067 29.638 29.700 0.008 0.000 0.743 453 E HN 0.359 nan 8.360 nan 0.000 0.453 454 E N -0.224 119.975 120.200 -0.002 0.000 2.031 454 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 454 E C 1.984 178.497 176.600 -0.146 0.000 0.994 454 E CA 1.048 57.441 56.400 -0.012 0.000 0.800 454 E CB -0.155 29.605 29.700 0.100 0.000 0.752 454 E HN 0.328 nan 8.360 nan 0.000 0.447 455 A N 1.052 123.631 122.820 -0.401 0.000 1.908 455 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 455 A C 2.161 179.538 177.584 -0.345 0.000 1.181 455 A CA 1.405 53.014 52.037 -0.714 0.000 0.627 455 A CB -0.657 17.427 19.000 -1.527 0.000 0.818 455 A HN 0.325 nan 8.150 nan 0.000 0.445 456 I N -0.409 120.031 120.570 -0.217 0.000 2.226 456 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 456 I C 2.945 179.001 176.117 -0.101 0.000 1.100 456 I CA 0.997 62.215 61.300 -0.136 0.000 1.374 456 I CB -0.328 37.612 38.000 -0.100 0.000 1.057 456 I HN 0.371 nan 8.210 nan 0.000 0.413 457 A N 1.044 123.812 122.820 -0.086 0.000 1.898 457 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 457 A C 2.291 179.845 177.584 -0.049 0.000 1.181 457 A CA 1.341 53.346 52.037 -0.054 0.000 0.620 457 A CB -0.689 18.290 19.000 -0.035 0.000 0.819 457 A HN 0.358 nan 8.150 nan 0.000 0.442 458 I N -0.311 120.220 120.570 -0.064 0.000 2.142 458 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 458 I C 3.011 179.102 176.117 -0.043 0.000 1.078 458 I CA 1.097 62.371 61.300 -0.043 0.000 1.343 458 I CB -0.460 37.514 38.000 -0.043 0.000 1.046 458 I HN 0.356 nan 8.210 nan 0.000 0.405 459 A N 0.888 123.664 122.820 -0.073 0.000 1.908 459 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 459 A C 1.736 179.294 177.584 -0.042 0.000 1.181 459 A CA 1.776 53.779 52.037 -0.057 0.000 0.627 459 A CB -0.687 18.264 19.000 -0.081 0.000 0.818 459 A HN 0.418 nan 8.150 nan 0.000 0.445 460 N N 0.746 119.418 118.700 -0.048 0.000 2.535 460 N HA 0.174 4.914 4.740 -0.000 0.000 0.203 460 N C 0.203 175.698 175.510 -0.025 0.000 1.301 460 N CA 0.703 53.730 53.050 -0.038 0.000 0.859 460 N CB -0.504 37.958 38.487 -0.042 0.000 1.055 460 N HN 0.459 nan 8.380 nan 0.000 0.457 461 A N 0.625 123.434 122.820 -0.019 0.000 2.505 461 A HA 0.439 4.759 4.320 -0.000 0.000 0.271 461 A C 0.936 178.515 177.584 -0.008 0.000 1.112 461 A CA -0.392 51.639 52.037 -0.010 0.000 0.781 461 A CB -0.316 18.683 19.000 -0.002 0.000 1.059 461 A HN 0.363 nan 8.150 nan 0.000 0.508 462 A N 2.904 125.719 122.820 -0.009 0.000 2.614 462 A HA 0.259 4.579 4.320 -0.000 0.000 0.231 462 A C 1.272 178.854 177.584 -0.003 0.000 1.076 462 A CA 1.140 53.172 52.037 -0.008 0.000 0.767 462 A CB -0.051 18.944 19.000 -0.008 0.000 1.012 462 A HN 1.334 nan 8.150 nan 0.000 0.512 463 D N -1.890 118.508 120.400 -0.002 0.000 2.330 463 D HA -0.155 4.485 4.640 -0.000 0.000 0.168 463 D C -0.344 175.961 176.300 0.008 0.000 0.992 463 D CA 1.442 55.444 54.000 0.004 0.000 1.025 463 D CB -0.969 39.834 40.800 0.005 0.000 1.089 463 D HN 0.497 nan 8.370 nan 0.000 0.487 464 V N 0.707 120.622 119.914 0.003 0.000 2.313 464 V HA 0.697 4.817 4.120 -0.000 0.000 0.278 464 V C 1.038 177.128 176.094 -0.008 0.000 1.017 464 V CA 0.605 62.908 62.300 0.004 0.000 0.823 464 V CB 1.272 33.097 31.823 0.003 0.000 1.010 464 V HN 0.280 nan 8.190 nan 0.000 0.443 465 G N 3.444 112.240 108.800 -0.007 0.000 5.482 465 G HA2 0.285 4.245 3.960 -0.000 0.000 0.208 465 G HA3 0.285 4.245 3.960 -0.000 0.000 0.208 465 G C -0.273 174.608 174.900 -0.032 0.000 0.756 465 G CA 0.051 45.136 45.100 -0.025 0.000 0.682 465 G HN 0.459 nan 8.290 nan 0.000 0.405 466 L N 0.760 121.969 121.223 -0.024 0.000 2.737 466 L HA 0.889 5.229 4.340 -0.000 0.000 0.182 466 L C 1.223 178.044 176.870 -0.081 0.000 1.361 466 L CA 1.041 55.864 54.840 -0.029 0.000 0.955 466 L CB -0.232 41.837 42.059 0.017 0.000 1.267 466 L HN 0.190 nan 8.230 nan 0.000 0.572 467 A N -1.517 121.256 122.820 -0.077 0.000 2.330 467 A HA 0.769 5.089 4.320 -0.000 0.000 0.329 467 A C -0.440 176.992 177.584 -0.252 0.000 1.135 467 A CA 0.101 52.011 52.037 -0.211 0.000 0.817 467 A CB 1.016 19.915 19.000 -0.168 0.000 1.269 467 A HN 0.484 nan 8.150 nan 0.000 0.469 468 G N -0.735 107.765 108.800 -0.501 0.000 2.696 468 G HA2 0.633 4.593 3.960 -0.000 0.000 0.295 468 G HA3 0.633 4.593 3.960 -0.000 0.000 0.295 468 G C -1.806 172.724 174.900 -0.618 0.000 1.398 468 G CA -0.363 44.532 45.100 -0.342 0.000 0.920 468 G HN 0.575 nan 8.290 nan 0.000 0.492 469 Y N -0.395 119.864 120.300 -0.068 0.000 2.562 469 Y HA 0.741 5.291 4.550 -0.000 0.000 0.345 469 Y C -0.424 175.350 175.900 -0.210 0.000 1.045 469 Y CA -1.100 56.855 58.100 -0.241 0.000 1.028 469 Y CB 2.697 40.907 38.460 -0.416 0.000 1.297 469 Y HN 0.813 nan 8.280 nan 0.000 0.463 470 F N -0.572 119.237 119.950 -0.235 0.000 2.688 470 F HA 0.714 5.241 4.527 0.000 0.000 0.308 470 F C -2.578 173.171 175.800 -0.085 0.000 1.117 470 F CA -1.634 56.290 58.000 -0.127 0.000 0.976 470 F CB 1.050 40.091 39.000 0.068 0.000 1.291 470 F HN 0.321 nan 8.300 nan 0.000 0.439 471 Y N 1.761 122.140 120.300 0.132 0.000 2.352 471 Y HA 0.731 5.281 4.550 -0.000 0.000 0.339 471 Y C 0.172 176.302 175.900 0.383 0.000 0.992 471 Y CA -0.596 57.573 58.100 0.114 0.000 1.100 471 Y CB 2.000 40.507 38.460 0.078 0.000 1.192 471 Y HN 0.954 nan 8.280 nan 0.000 0.458 472 S N 1.542 117.446 115.700 0.339 0.000 2.567 472 S HA 0.370 4.840 4.470 -0.000 0.000 0.270 472 S C -0.837 173.855 174.600 0.154 0.000 1.152 472 S CA -0.654 57.737 58.200 0.317 0.000 0.835 472 S CB 1.525 64.934 63.200 0.347 0.000 1.115 472 S HN 0.623 nan 8.310 nan 0.000 0.459 473 Q N 1.448 121.322 119.800 0.124 0.000 2.139 473 Q HA 0.254 4.594 4.340 -0.000 0.000 0.219 473 Q C -1.076 174.958 176.000 0.057 0.000 0.805 473 Q CA -0.102 55.748 55.803 0.078 0.000 1.024 473 Q CB 0.744 29.533 28.738 0.084 0.000 1.163 473 Q HN 0.688 nan 8.270 nan 0.000 0.485 474 D N 1.196 121.625 120.400 0.048 0.000 2.396 474 D HA 0.177 4.817 4.640 -0.000 0.000 0.225 474 D C -1.892 174.430 176.300 0.037 0.000 1.121 474 D CA -1.910 52.106 54.000 0.027 0.000 0.853 474 D CB 2.049 42.843 40.800 -0.010 0.000 1.043 474 D HN -0.141 nan 8.370 nan 0.000 0.500 475 P HA -0.175 nan 4.420 nan 0.000 0.216 475 P C 1.036 178.438 177.300 0.170 0.000 1.157 475 P CA 1.765 64.929 63.100 0.107 0.000 0.880 475 P CB 0.264 32.030 31.700 0.110 0.000 0.791 476 A N -0.533 122.356 122.820 0.114 0.000 1.930 476 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 476 A C 2.398 180.022 177.584 0.068 0.000 1.175 476 A CA 1.777 53.880 52.037 0.110 0.000 0.627 476 A CB -1.424 17.599 19.000 0.038 0.000 0.815 476 A HN 0.216 nan 8.150 nan 0.000 0.443 477 Q N -0.296 119.491 119.800 -0.022 0.000 2.124 477 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 477 Q C 1.923 177.839 176.000 -0.141 0.000 0.977 477 Q CA 1.543 57.254 55.803 -0.155 0.000 0.850 477 Q CB -0.261 28.311 28.738 -0.278 0.000 0.901 477 Q HN 0.710 nan 8.270 nan 0.000 0.429 478 I N -0.547 120.024 120.570 0.002 0.000 2.208 478 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 478 I C 1.672 177.794 176.117 0.008 0.000 1.097 478 I CA 1.418 62.782 61.300 0.106 0.000 1.363 478 I CB -0.344 37.667 38.000 0.018 0.000 1.051 478 I HN 0.398 nan 8.210 nan 0.000 0.413 479 W N 0.962 122.265 121.300 0.005 0.000 2.409 479 W HA -0.065 4.595 4.660 0.000 0.000 0.299 479 W C 2.857 179.340 176.519 -0.059 0.000 1.203 479 W CA 0.694 58.031 57.345 -0.014 0.000 1.298 479 W CB -0.211 29.233 29.460 -0.026 0.000 1.127 479 W HN -0.079 nan 8.180 nan 0.000 0.528 480 R N -0.202 120.367 120.500 0.115 0.000 2.070 480 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 480 R C 1.889 178.127 176.300 -0.103 0.000 1.138 480 R CA 2.038 58.133 56.100 -0.007 0.000 0.936 480 R CB -1.241 29.015 30.300 -0.074 0.000 0.839 480 R HN 0.100 nan 8.270 nan 0.000 0.429 481 V N 1.081 120.835 119.914 -0.267 0.000 2.343 481 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 481 V C 2.493 178.430 176.094 -0.261 0.000 1.051 481 V CA 1.940 63.986 62.300 -0.424 0.000 1.036 481 V CB -0.832 30.380 31.823 -1.017 0.000 0.654 481 V HN 0.426 nan 8.190 nan 0.000 0.451 482 A N -0.148 122.609 122.820 -0.106 0.000 1.940 482 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 482 A C 2.176 179.754 177.584 -0.010 0.000 1.176 482 A CA 2.020 54.083 52.037 0.044 0.000 0.631 482 A CB -0.414 18.589 19.000 0.004 0.000 0.814 482 A HN 0.668 nan 8.150 nan 0.000 0.446 483 E N -0.706 119.503 120.200 0.014 0.000 2.170 483 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 483 E C 2.096 178.687 176.600 -0.015 0.000 0.981 483 E CA 0.906 57.323 56.400 0.027 0.000 0.830 483 E CB -0.107 29.646 29.700 0.088 0.000 0.775 483 E HN 0.742 nan 8.360 nan 0.000 0.470 484 Q N 0.162 119.937 119.800 -0.042 0.000 2.354 484 Q HA 0.019 4.359 4.340 -0.000 0.000 0.203 484 Q C 0.111 176.073 176.000 -0.064 0.000 0.933 484 Q CA -0.020 55.750 55.803 -0.054 0.000 0.901 484 Q CB 0.305 29.002 28.738 -0.068 0.000 1.007 484 Q HN 0.100 nan 8.270 nan 0.000 0.495 485 L N 2.486 123.663 121.223 -0.076 0.000 2.562 485 L HA -0.027 4.313 4.340 -0.000 0.000 0.271 485 L C 0.125 176.956 176.870 -0.064 0.000 1.167 485 L CA 0.899 55.694 54.840 -0.073 0.000 0.917 485 L CB 0.291 42.308 42.059 -0.069 0.000 1.187 485 L HN 0.089 nan 8.230 nan 0.000 0.482 486 E N 4.046 124.211 120.200 -0.058 0.000 1.972 486 E HA 0.273 4.623 4.350 -0.000 0.000 0.292 486 E C -0.457 176.108 176.600 -0.058 0.000 1.193 486 E CA -0.143 56.225 56.400 -0.053 0.000 1.228 486 E CB 0.205 29.879 29.700 -0.043 0.000 1.167 486 E HN 0.483 nan 8.360 nan 0.000 0.479 487 V N -2.433 117.436 119.914 -0.074 0.000 3.182 487 V HA 0.670 4.790 4.120 -0.000 0.000 0.308 487 V C 0.843 176.872 176.094 -0.109 0.000 1.240 487 V CA -0.661 61.586 62.300 -0.089 0.000 1.063 487 V CB 1.384 33.141 31.823 -0.111 0.000 1.076 487 V HN 0.245 nan 8.190 nan 0.000 0.446 488 G N 0.034 108.761 108.800 -0.123 0.000 2.683 488 G HA2 0.362 4.321 3.960 -0.000 0.000 0.213 488 G HA3 0.362 4.321 3.960 -0.000 0.000 0.213 488 G C 0.245 175.015 174.900 -0.217 0.000 1.142 488 G CA 0.205 45.217 45.100 -0.146 0.000 0.793 488 G HN 0.652 nan 8.290 nan 0.000 0.534 489 M N 0.368 119.815 119.600 -0.255 0.000 2.378 489 M HA 0.497 4.977 4.480 -0.000 0.000 0.289 489 M C -1.664 174.418 176.300 -0.364 0.000 1.136 489 M CA -0.547 54.540 55.300 -0.354 0.000 0.917 489 M CB 3.402 35.721 32.600 -0.470 0.000 1.669 489 M HN -0.258 nan 8.290 nan 0.000 0.461 490 V N 1.199 120.906 119.914 -0.346 0.000 2.588 490 V HA 0.863 4.983 4.120 -0.000 0.000 0.304 490 V C 0.017 175.889 176.094 -0.371 0.000 1.042 490 V CA -0.720 61.379 62.300 -0.335 0.000 0.877 490 V CB 2.116 33.838 31.823 -0.169 0.000 0.996 490 V HN 0.996 nan 8.190 nan 0.000 0.425 491 G N 2.767 111.305 108.800 -0.437 0.000 2.370 491 G HA2 0.586 4.546 3.960 -0.000 0.000 0.317 491 G HA3 0.586 4.546 3.960 -0.000 0.000 0.317 491 G C -0.976 173.610 174.900 -0.523 0.000 1.162 491 G CA -0.430 44.483 45.100 -0.312 0.000 0.922 491 G HN 0.542 nan 8.290 nan 0.000 0.454 492 V N 3.900 123.447 119.914 -0.611 0.000 2.350 492 V HA 0.219 4.339 4.120 -0.000 0.000 0.276 492 V C 0.301 175.921 176.094 -0.789 0.000 1.028 492 V CA -0.905 60.833 62.300 -0.937 0.000 0.860 492 V CB 0.957 32.336 31.823 -0.741 0.000 0.990 492 V HN 0.887 nan 8.190 nan 0.000 0.453 493 N N 2.919 120.938 118.700 -1.135 0.000 2.721 493 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 493 N C -0.165 174.821 175.510 -0.873 0.000 1.072 493 N CA 1.391 53.596 53.050 -1.409 0.000 0.710 493 N CB -0.509 37.603 38.487 -0.624 0.000 0.993 493 N HN 0.957 nan 8.380 nan 0.000 0.547 494 E N -1.554 118.269 120.200 -0.628 0.000 2.347 494 E HA 0.570 4.920 4.350 -0.000 0.000 0.285 494 E C 0.639 177.297 176.600 0.097 0.000 0.925 494 E CA -0.113 56.227 56.400 -0.101 0.000 0.779 494 E CB 0.867 30.511 29.700 -0.094 0.000 1.233 494 E HN -0.003 nan 8.360 nan 0.000 0.414 495 G N 3.310 112.244 108.800 0.223 0.000 2.796 495 G HA2 0.167 4.127 3.960 -0.000 0.000 0.210 495 G HA3 0.167 4.127 3.960 -0.000 0.000 0.210 495 G C 0.020 174.977 174.900 0.094 0.000 1.146 495 G CA -0.088 45.094 45.100 0.137 0.000 0.779 495 G HN 0.380 nan 8.290 nan 0.000 0.535 496 L N 2.336 123.648 121.223 0.149 0.000 2.313 496 L HA 0.423 4.763 4.340 -0.000 0.000 0.273 496 L C 0.662 177.628 176.870 0.160 0.000 1.028 496 L CA -0.447 54.484 54.840 0.152 0.000 0.871 496 L CB 1.351 43.493 42.059 0.139 0.000 1.242 496 L HN 0.261 nan 8.230 nan 0.000 0.434 497 I N -2.171 118.519 120.570 0.201 0.000 3.941 497 I HA 0.236 4.406 4.170 -0.000 0.000 0.335 497 I C 0.605 176.851 176.117 0.216 0.000 1.402 497 I CA -0.119 61.273 61.300 0.154 0.000 1.112 497 I CB 0.568 38.621 38.000 0.088 0.000 1.043 497 I HN 0.298 nan 8.210 nan 0.000 0.395 498 S N 1.675 117.459 115.700 0.139 0.000 2.549 498 S HA 0.267 4.737 4.470 -0.000 0.000 0.286 498 S C 0.206 174.824 174.600 0.030 0.000 1.314 498 S CA 0.066 58.230 58.200 -0.060 0.000 1.062 498 S CB 0.557 63.304 63.200 -0.755 0.000 0.865 498 S HN 0.592 nan 8.310 nan 0.000 0.498 499 S N 1.825 117.534 115.700 0.016 0.000 2.616 499 S HA 0.177 4.647 4.470 -0.000 0.000 0.276 499 S C 0.580 175.070 174.600 -0.182 0.000 1.159 499 S CA -0.453 57.753 58.200 0.010 0.000 1.000 499 S CB 0.682 63.911 63.200 0.048 0.000 1.117 499 S HN 0.738 nan 8.310 nan 0.000 0.464 500 V N 2.550 122.195 119.914 -0.448 0.000 2.720 500 V HA 0.006 4.126 4.120 -0.000 0.000 0.256 500 V C 1.899 177.419 176.094 -0.957 0.000 1.082 500 V CA 1.940 63.759 62.300 -0.801 0.000 1.101 500 V CB -0.680 30.512 31.823 -1.051 0.000 0.693 500 V HN 0.895 nan 8.190 nan 0.000 0.479 501 E N -0.179 119.457 120.200 -0.940 0.000 2.489 501 E HA 0.080 4.430 4.350 -0.000 0.000 0.193 501 E C 0.530 176.826 176.600 -0.506 0.000 1.057 501 E CA 0.211 55.854 56.400 -1.262 0.000 0.866 501 E CB -0.591 28.512 29.700 -0.996 0.000 0.916 501 E HN 0.687 nan 8.360 nan 0.000 0.500 502 C N 2.760 121.945 119.300 -0.192 0.000 2.454 502 C HA 0.497 4.957 4.460 -0.000 0.000 0.336 502 C C -2.392 172.712 174.990 0.190 0.000 1.189 502 C CA -1.731 57.296 59.018 0.014 0.000 1.877 502 C CB 1.908 29.651 27.740 0.005 0.000 2.348 502 C HN 0.183 nan 8.230 nan 0.000 0.508 503 P HA 0.285 nan 4.420 nan 0.000 0.282 503 P C -1.276 176.025 177.300 0.001 0.000 1.274 503 P CA 0.268 63.460 63.100 0.153 0.000 0.770 503 P CB 0.323 32.069 31.700 0.077 0.000 0.867 504 F N 2.649 122.602 119.950 0.006 0.000 2.469 504 F HA 0.773 5.300 4.527 0.000 0.000 0.332 504 F C 1.115 176.891 175.800 -0.039 0.000 1.103 504 F CA 0.277 58.256 58.000 -0.036 0.000 0.979 504 F CB 2.336 41.308 39.000 -0.047 0.000 1.137 504 F HN 0.597 nan 8.300 nan 0.000 0.463 505 G N 0.497 109.331 108.800 0.058 0.000 2.324 505 G HA2 0.481 4.441 3.960 -0.000 0.000 0.293 505 G HA3 0.481 4.441 3.960 -0.000 0.000 0.293 505 G C -1.458 173.427 174.900 -0.025 0.000 1.297 505 G CA -0.221 44.893 45.100 0.023 0.000 0.853 505 G HN 0.923 nan 8.290 nan 0.000 0.535 506 G N -1.645 107.144 108.800 -0.018 0.000 2.600 506 G HA2 0.925 4.885 3.960 -0.000 0.000 0.303 506 G HA3 0.925 4.885 3.960 -0.000 0.000 0.303 506 G C -0.158 174.722 174.900 -0.033 0.000 1.253 506 G CA 0.152 45.235 45.100 -0.029 0.000 0.974 506 G HN 1.876 nan 8.290 nan 0.000 0.483 507 V N -2.459 117.433 119.914 -0.037 0.000 3.096 507 V HA 0.790 4.910 4.120 -0.000 0.000 0.319 507 V C 0.577 176.657 176.094 -0.024 0.000 1.103 507 V CA -0.799 61.479 62.300 -0.036 0.000 1.016 507 V CB 1.471 33.266 31.823 -0.046 0.000 1.090 507 V HN 0.979 nan 8.190 nan 0.000 0.449 508 K N 0.686 121.072 120.400 -0.023 0.000 1.867 508 K HA -0.322 3.998 4.320 -0.000 0.000 0.140 508 K C 1.120 177.714 176.600 -0.010 0.000 1.408 508 K CA 2.139 58.416 56.287 -0.017 0.000 0.461 508 K CB -1.352 31.139 32.500 -0.016 0.000 0.594 508 K HN 0.947 nan 8.250 nan 0.000 0.888 509 Q N 0.874 120.671 119.800 -0.004 0.000 2.415 509 Q HA 0.130 4.470 4.340 -0.000 0.000 0.206 509 Q C 1.176 177.186 176.000 0.018 0.000 0.946 509 Q CA 0.352 56.157 55.803 0.004 0.000 0.951 509 Q CB 0.149 28.889 28.738 0.004 0.000 1.026 509 Q HN 0.347 nan 8.270 nan 0.000 0.510 510 S N -0.121 115.588 115.700 0.015 0.000 2.558 510 S HA 0.214 4.684 4.470 -0.000 0.000 0.217 510 S C 0.558 175.177 174.600 0.032 0.000 0.975 510 S CA 0.449 58.665 58.200 0.027 0.000 0.912 510 S CB 0.592 63.801 63.200 0.016 0.000 0.776 510 S HN 0.580 nan 8.310 nan 0.000 0.526 511 G N 0.247 109.061 108.800 0.023 0.000 2.343 511 G HA2 0.391 4.351 3.960 -0.000 0.000 0.289 511 G HA3 0.391 4.351 3.960 -0.000 0.000 0.289 511 G C -2.388 172.518 174.900 0.010 0.000 1.295 511 G CA -1.017 44.100 45.100 0.027 0.000 0.869 511 G HN 0.149 nan 8.290 nan 0.000 0.522 512 L N 0.342 121.572 121.223 0.011 0.000 2.464 512 L HA 0.694 5.034 4.340 -0.000 0.000 0.266 512 L C 0.687 177.553 176.870 -0.006 0.000 0.965 512 L CA 0.109 54.947 54.840 -0.004 0.000 0.833 512 L CB 1.832 43.887 42.059 -0.007 0.000 1.296 512 L HN 2.270 nan 8.230 nan 0.000 0.405 513 G N 2.256 111.048 108.800 -0.014 0.000 2.796 513 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.571 513 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.571 513 G C -1.242 173.665 174.900 0.012 0.000 1.370 513 G CA -0.855 44.240 45.100 -0.008 0.000 0.856 513 G HN 0.510 nan 8.290 nan 0.000 0.538 514 R N 0.213 120.741 120.500 0.046 0.000 2.837 514 R HA 0.637 4.977 4.340 -0.000 0.000 0.271 514 R C -0.352 176.046 176.300 0.163 0.000 0.993 514 R CA -0.711 55.443 56.100 0.091 0.000 0.931 514 R CB 1.864 32.208 30.300 0.074 0.000 1.206 514 R HN 0.776 nan 8.270 nan 0.000 0.474 515 E N -0.192 120.133 120.200 0.208 0.000 2.312 515 E HA 0.620 4.970 4.350 -0.000 0.000 0.267 515 E C -0.254 176.574 176.600 0.380 0.000 0.894 515 E CA -0.808 55.743 56.400 0.251 0.000 0.773 515 E CB 2.293 32.047 29.700 0.091 0.000 1.241 515 E HN 0.765 nan 8.360 nan 0.000 0.432 516 G N 1.627 110.778 108.800 0.584 0.000 2.828 516 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.463 516 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.463 516 G C 0.070 175.171 174.900 0.336 0.000 1.394 516 G CA -0.018 45.389 45.100 0.512 0.000 0.862 516 G HN 1.645 nan 8.290 nan 0.000 0.540 517 S N -1.903 113.747 115.700 -0.084 0.000 3.513 517 S HA -0.239 4.231 4.470 -0.000 0.000 0.636 517 S C 1.465 176.381 174.600 0.527 0.000 2.452 517 S CA 1.936 60.175 58.200 0.064 0.000 2.644 517 S CB -0.960 62.363 63.200 0.205 0.000 0.331 517 S HN 2.607 nan 8.310 nan 0.000 1.787 518 K N 0.303 120.922 120.400 0.364 0.000 2.432 518 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 518 K C 1.522 178.122 176.600 -0.001 0.000 1.038 518 K CA 1.585 57.958 56.287 0.143 0.000 0.986 518 K CB -0.370 32.066 32.500 -0.107 0.000 0.782 518 K HN 0.737 nan 8.250 nan 0.000 0.485 519 Y N 1.192 121.652 120.300 0.267 0.000 2.503 519 Y HA 0.196 4.746 4.550 -0.000 0.000 0.278 519 Y C 2.647 178.705 175.900 0.263 0.000 1.111 519 Y CA 0.298 58.527 58.100 0.216 0.000 1.270 519 Y CB -0.034 38.516 38.460 0.150 0.000 1.063 519 Y HN 0.177 nan 8.280 nan 0.000 0.548 520 G N 0.744 109.859 108.800 0.525 0.000 2.469 520 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 520 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 520 G C 1.662 176.831 174.900 0.449 0.000 1.150 520 G CA 1.133 46.553 45.100 0.533 0.000 0.763 520 G HN 0.481 nan 8.290 nan 0.000 0.561 521 I N 0.645 121.505 120.570 0.483 0.000 2.614 521 I HA -0.105 4.065 4.170 -0.000 0.000 0.258 521 I C 1.610 177.896 176.117 0.282 0.000 1.189 521 I CA 1.010 62.522 61.300 0.354 0.000 1.462 521 I CB -0.018 38.163 38.000 0.301 0.000 1.092 521 I HN 0.055 nan 8.210 nan 0.000 0.442 522 D N 0.881 121.423 120.400 0.236 0.000 2.218 522 D HA -0.169 4.471 4.640 -0.000 0.000 0.204 522 D C 1.843 178.196 176.300 0.089 0.000 0.976 522 D CA 0.806 54.904 54.000 0.164 0.000 0.853 522 D CB -0.182 40.724 40.800 0.175 0.000 0.939 522 D HN 0.418 nan 8.370 nan 0.000 0.481 523 E N -0.103 120.117 120.200 0.034 0.000 2.338 523 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 523 E C 0.718 177.041 176.600 -0.463 0.000 1.007 523 E CA 0.558 56.821 56.400 -0.228 0.000 0.849 523 E CB -0.122 29.363 29.700 -0.358 0.000 0.774 523 E HN 0.540 nan 8.360 nan 0.000 0.506 524 Y N -0.546 119.782 120.300 0.047 0.000 2.636 524 Y HA 0.221 4.771 4.550 0.000 0.000 0.260 524 Y C 0.119 176.053 175.900 0.057 0.000 1.177 524 Y CA -0.393 57.730 58.100 0.039 0.000 1.209 524 Y CB 0.713 39.190 38.460 0.028 0.000 1.166 524 Y HN -0.122 nan 8.280 nan 0.000 0.531 525 L N 0.518 121.822 121.223 0.135 0.000 2.333 525 L HA 0.535 4.875 4.340 -0.000 0.000 0.263 525 L C -0.520 176.402 176.870 0.086 0.000 1.014 525 L CA -1.438 53.475 54.840 0.122 0.000 0.820 525 L CB 1.875 44.007 42.059 0.121 0.000 1.352 525 L HN -0.070 nan 8.230 nan 0.000 0.421 526 E N 2.157 122.412 120.200 0.091 0.000 2.248 526 E HA 0.480 4.830 4.350 -0.000 0.000 0.267 526 E C -1.137 175.513 176.600 0.084 0.000 0.877 526 E CA -0.599 55.848 56.400 0.079 0.000 0.759 526 E CB 2.468 32.217 29.700 0.081 0.000 1.182 526 E HN 0.405 nan 8.360 nan 0.000 0.418 527 L N 1.993 123.265 121.223 0.081 0.000 2.350 527 L HA 0.396 4.736 4.340 -0.000 0.000 0.275 527 L C 0.466 177.396 176.870 0.100 0.000 1.099 527 L CA -0.312 54.582 54.840 0.090 0.000 0.808 527 L CB 0.730 42.841 42.059 0.086 0.000 1.149 527 L HN 0.213 nan 8.230 nan 0.000 0.442 528 K N 2.903 123.370 120.400 0.112 0.000 2.535 528 K HA 0.231 4.551 4.320 -0.000 0.000 0.253 528 K C -1.406 175.296 176.600 0.170 0.000 0.953 528 K CA -0.680 55.677 56.287 0.117 0.000 0.863 528 K CB 1.252 33.800 32.500 0.081 0.000 1.111 528 K HN 0.392 nan 8.250 nan 0.000 0.431 529 Y N 4.360 124.684 120.300 0.041 0.000 2.359 529 Y HA 0.349 4.899 4.550 -0.000 0.000 0.334 529 Y C -1.282 174.641 175.900 0.039 0.000 1.058 529 Y CA -0.538 57.587 58.100 0.043 0.000 1.244 529 Y CB 0.926 39.409 38.460 0.038 0.000 1.187 529 Y HN 0.215 nan 8.280 nan 0.000 0.510 530 V N 7.519 127.395 119.914 -0.064 0.000 2.350 530 V HA 0.166 4.286 4.120 -0.000 0.000 0.285 530 V C -0.535 175.393 176.094 -0.276 0.000 1.014 530 V CA -1.026 61.131 62.300 -0.238 0.000 0.831 530 V CB 1.031 32.835 31.823 -0.031 0.000 1.000 530 V HN 0.973 nan 8.190 nan 0.000 0.433 531 C N 6.853 125.848 119.300 -0.508 0.000 2.192 531 C HA 0.406 4.866 4.460 -0.000 0.000 0.337 531 C C 0.171 175.135 174.990 -0.043 0.000 1.103 531 C CA -0.647 58.243 59.018 -0.213 0.000 1.581 531 C CB -1.373 26.211 27.740 -0.259 0.000 2.070 531 C HN 0.867 nan 8.230 nan 0.000 0.485 532 Y N 5.600 125.873 120.300 -0.045 0.000 2.613 532 Y HA 0.438 4.988 4.550 -0.000 0.000 0.354 532 Y C 0.974 176.865 175.900 -0.016 0.000 1.063 532 Y CA 0.374 58.457 58.100 -0.030 0.000 1.384 532 Y CB 0.158 38.611 38.460 -0.013 0.000 1.199 532 Y HN 0.859 nan 8.280 nan 0.000 0.517 533 G N 1.483 110.379 108.800 0.160 0.000 2.702 533 G HA2 0.447 4.407 3.960 -0.000 0.000 0.254 533 G HA3 0.447 4.407 3.960 -0.000 0.000 0.254 533 G C 0.648 175.631 174.900 0.139 0.000 1.380 533 G CA -0.523 44.654 45.100 0.128 0.000 1.042 533 G HN 1.034 nan 8.290 nan 0.000 0.557 534 G N -1.871 106.976 108.800 0.078 0.000 2.148 534 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 534 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 534 G C 0.412 175.357 174.900 0.075 0.000 0.981 534 G CA 0.658 45.797 45.100 0.065 0.000 0.670 534 G HN 0.526 nan 8.290 nan 0.000 0.528 535 L N 0.000 121.268 121.223 0.075 0.000 2.949 535 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 535 L CA 0.000 54.866 54.840 0.044 0.000 0.813 535 L CB 0.000 42.074 42.059 0.025 0.000 0.961 535 L HN 0.000 nan 8.230 nan 0.000 0.502