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 2nsi_1_D DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.517 176.300 0.362 0.000 0.893 83 R CA 0.000 56.350 56.100 0.417 0.000 0.921 83 R CB 0.000 30.580 30.300 0.466 0.000 0.687 84 H N 1.610 120.799 119.070 0.198 0.000 2.466 84 H HA 0.445 5.000 4.556 -0.000 0.000 0.338 84 H C -0.713 174.674 175.328 0.098 0.000 1.091 84 H CA -0.505 55.648 56.048 0.176 0.000 1.207 84 H CB 2.137 31.968 29.762 0.115 0.000 1.466 84 H HN 0.188 nan 8.280 nan 0.000 0.493 85 V N 3.841 123.828 119.914 0.122 0.000 2.384 85 V HA 0.308 4.428 4.120 -0.000 0.000 0.287 85 V C 0.373 176.492 176.094 0.041 0.000 1.020 85 V CA -0.902 61.388 62.300 -0.016 0.000 0.850 85 V CB 1.216 32.875 31.823 -0.272 0.000 0.987 85 V HN 0.666 nan 8.190 nan 0.000 0.436 86 R N 5.694 126.218 120.500 0.040 0.000 2.298 86 R HA 0.600 4.940 4.340 -0.000 0.000 0.310 86 R C -0.635 175.673 176.300 0.013 0.000 1.068 86 R CA -0.254 55.864 56.100 0.030 0.000 0.957 86 R CB 0.560 30.866 30.300 0.011 0.000 1.003 86 R HN 0.844 nan 8.270 nan 0.000 0.454 87 I N 0.507 121.086 120.570 0.014 0.000 2.545 87 I HA 0.545 4.715 4.170 -0.000 0.000 0.292 87 I C -1.187 174.905 176.117 -0.042 0.000 1.040 87 I CA -1.057 60.253 61.300 0.016 0.000 1.068 87 I CB 2.179 40.217 38.000 0.063 0.000 1.251 87 I HN 0.487 nan 8.210 nan 0.000 0.424 88 K N 3.417 123.734 120.400 -0.139 0.000 2.318 88 K HA 0.399 4.719 4.320 -0.000 0.000 0.249 88 K C -1.068 175.358 176.600 -0.290 0.000 0.942 88 K CA -0.771 55.307 56.287 -0.347 0.000 0.808 88 K CB 1.719 33.763 32.500 -0.759 0.000 1.189 88 K HN 0.746 nan 8.250 nan 0.000 0.428 89 N N 3.650 122.216 118.700 -0.223 0.000 2.699 89 N HA 0.112 4.852 4.740 -0.000 0.000 0.232 89 N C -0.218 175.265 175.510 -0.045 0.000 1.027 89 N CA -0.524 52.526 53.050 0.000 0.000 0.920 89 N CB 0.123 38.666 38.487 0.093 0.000 1.148 89 N HN 0.636 nan 8.380 nan 0.000 0.509 90 W N 2.113 123.496 121.300 0.138 0.000 2.389 90 W HA -0.005 4.655 4.660 -0.000 0.000 0.267 90 W C 2.060 178.617 176.519 0.064 0.000 1.219 90 W CA 0.806 58.217 57.345 0.110 0.000 1.189 90 W CB -0.076 29.473 29.460 0.149 0.000 1.129 90 W HN 0.614 nan 8.180 nan 0.000 0.581 91 G N -0.405 108.530 108.800 0.226 0.000 2.395 91 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.214 91 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.214 91 G C 1.536 176.452 174.900 0.028 0.000 1.177 91 G CA 1.282 46.394 45.100 0.020 0.000 0.794 91 G HN 0.304 nan 8.290 nan 0.000 0.532 92 S N -1.118 114.604 115.700 0.036 0.000 2.503 92 S HA 0.377 4.847 4.470 -0.000 0.000 0.215 92 S C 1.954 176.527 174.600 -0.044 0.000 1.003 92 S CA 1.033 59.232 58.200 -0.001 0.000 0.910 92 S CB 0.309 63.510 63.200 0.002 0.000 0.790 92 S HN 1.518 nan 8.310 nan 0.000 0.514 93 G N 1.578 110.336 108.800 -0.071 0.000 2.234 93 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.260 93 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.260 93 G C 0.074 174.847 174.900 -0.212 0.000 0.987 93 G CA 0.358 45.372 45.100 -0.143 0.000 0.625 93 G HN 0.638 nan 8.290 nan 0.000 0.532 94 M N 2.212 121.687 119.600 -0.208 0.000 2.269 94 M HA 0.423 4.903 4.480 -0.000 0.000 0.350 94 M C 0.549 176.588 176.300 -0.435 0.000 1.429 94 M CA 1.010 56.118 55.300 -0.319 0.000 1.063 94 M CB 0.519 32.913 32.600 -0.343 0.000 1.841 94 M HN 0.293 nan 8.290 nan 0.000 0.455 95 T N 4.816 119.093 114.554 -0.461 0.000 2.855 95 T HA 0.648 4.997 4.350 -0.000 0.000 0.281 95 T C -1.152 173.229 174.700 -0.531 0.000 1.007 95 T CA -0.501 61.354 62.100 -0.409 0.000 1.009 95 T CB 0.523 69.234 68.868 -0.261 0.000 0.983 95 T HN 0.529 nan 8.240 nan 0.000 0.455 96 F N 1.886 121.688 119.950 -0.247 0.000 2.556 96 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 96 F C 0.393 176.094 175.800 -0.164 0.000 1.059 96 F CA -0.928 56.875 58.000 -0.328 0.000 0.953 96 F CB 2.013 40.510 39.000 -0.839 0.000 1.227 96 F HN 0.263 nan 8.300 nan 0.000 0.478 97 Q N 1.847 121.762 119.800 0.191 0.000 2.401 97 Q HA 0.148 4.488 4.340 -0.000 0.000 0.260 97 Q C -1.346 174.845 176.000 0.319 0.000 1.034 97 Q CA -0.380 55.561 55.803 0.230 0.000 0.737 97 Q CB 1.920 30.815 28.738 0.263 0.000 1.227 97 Q HN 0.611 nan 8.270 nan 0.000 0.488 98 D N 1.457 122.040 120.400 0.305 0.000 2.312 98 D HA 0.104 4.743 4.640 -0.000 0.000 0.252 98 D C 0.631 177.086 176.300 0.258 0.000 1.150 98 D CA 0.323 54.538 54.000 0.359 0.000 0.870 98 D CB 1.199 42.204 40.800 0.341 0.000 1.153 98 D HN 0.555 nan 8.370 nan 0.000 0.457 99 T N 0.880 115.523 114.554 0.148 0.000 2.964 99 T HA -0.046 4.304 4.350 -0.000 0.000 0.250 99 T C 1.851 176.463 174.700 -0.147 0.000 0.982 99 T CA -0.272 61.808 62.100 -0.034 0.000 0.959 99 T CB -0.083 68.672 68.868 -0.189 0.000 1.141 99 T HN 0.245 nan 8.240 nan 0.000 0.494 100 L N 3.187 124.361 121.223 -0.083 0.000 2.349 100 L HA -0.065 4.275 4.340 -0.000 0.000 0.220 100 L C 2.480 179.111 176.870 -0.400 0.000 1.130 100 L CA 1.719 56.465 54.840 -0.157 0.000 0.791 100 L CB -0.822 41.203 42.059 -0.056 0.000 0.918 100 L HN 0.588 nan 8.230 nan 0.000 0.444 101 H N -3.056 115.626 119.070 -0.646 0.000 2.518 101 H HA -0.164 4.392 4.556 -0.000 0.000 0.289 101 H C 1.669 176.644 175.328 -0.588 0.000 1.051 101 H CA 1.773 57.187 56.048 -1.057 0.000 1.280 101 H CB -0.753 28.522 29.762 -0.812 0.000 1.380 101 H HN 0.551 nan 8.280 nan 0.000 0.566 102 H N 0.990 119.590 119.070 -0.783 0.000 2.372 102 H HA 0.016 4.572 4.556 -0.000 0.000 0.301 102 H C 2.327 177.485 175.328 -0.284 0.000 1.065 102 H CA 1.224 56.974 56.048 -0.496 0.000 1.364 102 H CB 0.337 29.823 29.762 -0.459 0.000 1.406 102 H HN 0.259 nan 8.280 nan 0.000 0.521 103 K N 1.117 121.439 120.400 -0.131 0.000 2.515 103 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 103 K C 0.077 176.636 176.600 -0.068 0.000 1.038 103 K CA 0.268 56.509 56.287 -0.077 0.000 0.967 103 K CB 0.122 32.584 32.500 -0.064 0.000 0.780 103 K HN 0.185 nan 8.250 nan 0.000 0.483 104 A N 2.675 125.417 122.820 -0.130 0.000 2.362 104 A HA 0.130 4.450 4.320 -0.000 0.000 0.276 104 A C -0.525 177.032 177.584 -0.045 0.000 1.153 104 A CA -0.601 51.390 52.037 -0.077 0.000 0.813 104 A CB 0.202 19.121 19.000 -0.135 0.000 1.081 104 A HN 0.357 nan 8.150 nan 0.000 0.507 105 K N 2.652 123.040 120.400 -0.021 0.000 2.368 105 K HA 0.227 4.547 4.320 -0.000 0.000 0.282 105 K C 0.492 177.086 176.600 -0.009 0.000 1.035 105 K CA 0.301 56.581 56.287 -0.012 0.000 0.973 105 K CB 0.486 32.984 32.500 -0.004 0.000 0.957 105 K HN 0.578 nan 8.250 nan 0.000 0.474 106 G N 4.618 113.416 108.800 -0.003 0.000 3.284 106 G HA2 0.209 4.169 3.960 -0.000 0.000 0.251 106 G HA3 0.209 4.169 3.960 -0.000 0.000 0.251 106 G C 0.241 175.145 174.900 0.008 0.000 0.913 106 G CA -0.653 44.450 45.100 0.004 0.000 1.947 106 G HN 0.771 nan 8.290 nan 0.000 0.635 107 I N -1.304 119.270 120.570 0.007 0.000 2.503 107 I HA 0.649 4.819 4.170 -0.000 0.000 0.277 107 I C -1.145 174.985 176.117 0.021 0.000 1.078 107 I CA -0.922 60.386 61.300 0.013 0.000 1.184 107 I CB 0.989 38.997 38.000 0.015 0.000 1.353 107 I HN -0.186 nan 8.210 nan 0.000 0.490 108 L N 3.875 125.113 121.223 0.024 0.000 2.388 108 L HA 0.480 4.820 4.340 -0.000 0.000 0.264 108 L C 1.233 178.121 176.870 0.031 0.000 0.998 108 L CA -0.137 54.722 54.840 0.032 0.000 0.817 108 L CB 2.385 44.465 42.059 0.035 0.000 1.338 108 L HN 0.365 nan 8.230 nan 0.000 0.414 109 T N -0.875 113.701 114.554 0.035 0.000 3.035 109 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 109 T C 0.652 175.369 174.700 0.028 0.000 1.109 109 T CA 0.674 62.793 62.100 0.031 0.000 1.119 109 T CB -0.295 68.593 68.868 0.033 0.000 0.900 109 T HN 0.748 nan 8.240 nan 0.000 0.503 110 C N 2.221 121.539 119.300 0.030 0.000 2.365 110 C HA 0.915 5.374 4.460 -0.000 0.000 0.374 110 C C 0.400 175.404 174.990 0.023 0.000 1.318 110 C CA -1.433 57.601 59.018 0.027 0.000 2.239 110 C CB 0.926 28.684 27.740 0.031 0.000 2.144 110 C HN 0.645 nan 8.230 nan 0.000 0.581 111 R N -0.997 119.515 120.500 0.019 0.000 3.034 111 R HA 0.481 4.821 4.340 -0.000 0.000 0.264 111 R C -0.443 175.865 176.300 0.013 0.000 1.030 111 R CA -0.309 55.801 56.100 0.016 0.000 0.903 111 R CB 0.674 30.983 30.300 0.015 0.000 1.414 111 R HN 0.531 nan 8.270 nan 0.000 0.429 112 S N -0.066 115.641 115.700 0.012 0.000 2.699 112 S HA 0.125 4.595 4.470 -0.000 0.000 0.251 112 S C 0.094 174.699 174.600 0.008 0.000 1.179 112 S CA 0.090 58.296 58.200 0.010 0.000 1.200 112 S CB -0.498 62.708 63.200 0.010 0.000 0.848 112 S HN 0.555 nan 8.310 nan 0.000 0.472 113 K N -0.654 119.751 120.400 0.009 0.000 2.548 113 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 113 K C -0.504 176.101 176.600 0.008 0.000 1.714 113 K CA 0.047 56.339 56.287 0.008 0.000 1.024 113 K CB 0.073 32.578 32.500 0.008 0.000 1.484 113 K HN 0.288 nan 8.250 nan 0.000 0.602 114 S N 0.297 116.002 115.700 0.009 0.000 2.194 114 S HA 0.118 4.588 4.470 -0.000 0.000 0.249 114 S C -0.706 173.902 174.600 0.013 0.000 0.777 114 S CA -0.754 57.452 58.200 0.010 0.000 0.947 114 S CB -0.348 62.859 63.200 0.011 0.000 1.282 114 S HN 0.316 nan 8.310 nan 0.000 0.383 115 C N 5.615 124.923 119.300 0.012 0.000 2.624 115 C HA 0.331 4.791 4.460 -0.000 0.000 0.397 115 C C 1.320 176.324 174.990 0.023 0.000 1.331 115 C CA -0.466 58.563 59.018 0.017 0.000 1.716 115 C CB -1.341 26.408 27.740 0.014 0.000 2.452 115 C HN 0.883 nan 8.230 nan 0.000 0.586 116 L N 6.841 128.081 121.223 0.029 0.000 2.930 116 L HA 0.195 4.535 4.340 -0.000 0.000 0.250 116 L C 1.438 178.335 176.870 0.046 0.000 1.320 116 L CA 0.683 55.544 54.840 0.034 0.000 1.163 116 L CB -1.493 40.586 42.059 0.032 0.000 1.542 116 L HN 0.999 nan 8.230 nan 0.000 0.428 117 G N -1.081 107.747 108.800 0.047 0.000 2.320 117 G HA2 0.349 4.309 3.960 -0.000 0.000 0.300 117 G HA3 0.349 4.309 3.960 -0.000 0.000 0.300 117 G C 0.606 175.552 174.900 0.076 0.000 1.126 117 G CA 0.305 45.444 45.100 0.065 0.000 0.896 117 G HN 0.298 nan 8.290 nan 0.000 0.436 118 S N 1.306 117.071 115.700 0.108 0.000 2.066 118 S HA -0.161 4.309 4.470 -0.000 0.000 0.234 118 S C 0.166 174.837 174.600 0.118 0.000 1.363 118 S CA -0.490 57.783 58.200 0.121 0.000 1.043 118 S CB -1.316 61.935 63.200 0.085 0.000 1.319 118 S HN 0.499 nan 8.310 nan 0.000 0.645 119 I N 3.157 123.789 120.570 0.103 0.000 2.395 119 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 119 I C 1.720 177.899 176.117 0.104 0.000 1.023 119 I CA -0.097 61.251 61.300 0.081 0.000 1.350 119 I CB 0.859 38.887 38.000 0.047 0.000 1.409 119 I HN 0.445 nan 8.210 nan 0.000 0.507 120 M N 5.032 124.694 119.600 0.103 0.000 2.065 120 M HA -0.155 4.325 4.480 -0.000 0.000 0.259 120 M C 0.760 177.035 176.300 -0.042 0.000 1.069 120 M CA 1.976 57.356 55.300 0.133 0.000 1.110 120 M CB -0.198 32.457 32.600 0.092 0.000 1.328 120 M HN 0.685 nan 8.290 nan 0.000 0.405 121 T N -1.360 113.121 114.554 -0.122 0.000 3.133 121 T HA 0.568 4.918 4.350 -0.000 0.000 0.368 121 T C -2.611 172.017 174.700 -0.121 0.000 1.190 121 T CA -1.528 60.401 62.100 -0.285 0.000 1.282 121 T CB 0.382 69.011 68.868 -0.399 0.000 1.042 121 T HN 0.039 nan 8.240 nan 0.000 0.536 122 P HA 0.281 nan 4.420 nan 0.000 0.272 122 P C 1.113 178.433 177.300 0.033 0.000 1.223 122 P CA -0.649 62.456 63.100 0.009 0.000 0.784 122 P CB 0.874 32.596 31.700 0.037 0.000 0.923 123 K N 1.090 121.510 120.400 0.034 0.000 2.209 123 K HA -0.093 4.227 4.320 -0.000 0.000 0.204 123 K C 1.813 178.458 176.600 0.076 0.000 1.048 123 K CA 1.752 58.064 56.287 0.042 0.000 0.940 123 K CB -0.674 31.841 32.500 0.024 0.000 0.729 123 K HN 0.601 nan 8.250 nan 0.000 0.451 124 S N 0.378 116.126 115.700 0.081 0.000 2.399 124 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 124 S C 1.960 176.680 174.600 0.200 0.000 1.022 124 S CA 0.786 59.048 58.200 0.103 0.000 0.983 124 S CB -0.333 62.911 63.200 0.072 0.000 0.803 124 S HN 0.260 nan 8.310 nan 0.000 0.480 125 L N 1.297 122.664 121.223 0.240 0.000 2.558 125 L HA 0.166 4.506 4.340 -0.000 0.000 0.225 125 L C 0.334 177.542 176.870 0.563 0.000 1.128 125 L CA 0.184 55.270 54.840 0.410 0.000 0.868 125 L CB -0.422 41.882 42.059 0.408 0.000 1.006 125 L HN 0.287 nan 8.230 nan 0.000 0.454 126 T N -0.263 114.504 114.554 0.355 0.000 2.909 126 T HA 0.378 4.728 4.350 -0.000 0.000 0.286 126 T C -0.053 174.732 174.700 0.141 0.000 1.002 126 T CA -0.416 61.848 62.100 0.273 0.000 1.074 126 T CB 2.012 70.959 68.868 0.132 0.000 0.984 126 T HN -0.071 nan 8.240 nan 0.000 0.495 127 R N 1.435 121.980 120.500 0.075 0.000 2.513 127 R HA 0.478 4.817 4.340 -0.000 0.000 0.283 127 R C 0.468 176.743 176.300 -0.042 0.000 1.535 127 R CA -0.407 55.631 56.100 -0.102 0.000 1.315 127 R CB 0.020 30.165 30.300 -0.258 0.000 1.163 127 R HN 0.866 nan 8.270 nan 0.000 0.573 128 G N 3.019 111.792 108.800 -0.045 0.000 2.661 128 G HA2 0.182 4.142 3.960 -0.000 0.000 0.272 128 G HA3 0.182 4.142 3.960 -0.000 0.000 0.272 128 G C -1.929 172.941 174.900 -0.050 0.000 1.296 128 G CA -0.652 44.422 45.100 -0.045 0.000 0.998 128 G HN 0.528 nan 8.290 nan 0.000 0.553 129 P HA 0.392 nan 4.420 nan 0.000 0.279 129 P C -0.733 176.543 177.300 -0.040 0.000 1.276 129 P CA -0.445 62.628 63.100 -0.046 0.000 0.801 129 P CB 1.294 32.960 31.700 -0.057 0.000 1.127 130 R N -0.510 119.972 120.500 -0.030 0.000 2.817 130 R HA 0.510 4.850 4.340 -0.000 0.000 0.268 130 R C -0.454 175.837 176.300 -0.015 0.000 1.027 130 R CA -0.740 55.344 56.100 -0.026 0.000 0.928 130 R CB 0.823 31.105 30.300 -0.029 0.000 1.228 130 R HN 0.311 nan 8.270 nan 0.000 0.469 131 D N -0.221 120.172 120.400 -0.012 0.000 2.514 131 D HA 0.163 4.803 4.640 -0.000 0.000 0.225 131 D C -0.552 175.748 176.300 -0.001 0.000 1.159 131 D CA -0.149 53.849 54.000 -0.003 0.000 0.823 131 D CB 0.665 41.461 40.800 -0.008 0.000 1.097 131 D HN 0.426 nan 8.370 nan 0.000 0.519 132 K N 0.978 121.373 120.400 -0.009 0.000 2.427 132 K HA 0.527 4.847 4.320 -0.000 0.000 0.252 132 K C -2.872 173.717 176.600 -0.019 0.000 0.931 132 K CA -1.869 54.410 56.287 -0.012 0.000 0.793 132 K CB 2.587 35.080 32.500 -0.012 0.000 1.211 132 K HN -0.213 nan 8.250 nan 0.000 0.426 133 P HA -0.040 nan 4.420 nan 0.000 0.269 133 P C -0.749 176.536 177.300 -0.025 0.000 1.217 133 P CA -0.125 62.956 63.100 -0.031 0.000 0.783 133 P CB 0.317 31.997 31.700 -0.033 0.000 0.898 134 T N 3.361 117.899 114.554 -0.027 0.000 2.817 134 T HA 0.145 4.495 4.350 -0.000 0.000 0.295 134 T C -2.146 172.552 174.700 -0.004 0.000 0.958 134 T CA -0.872 61.218 62.100 -0.018 0.000 1.157 134 T CB -0.722 68.136 68.868 -0.018 0.000 0.898 134 T HN 0.277 nan 8.240 nan 0.000 0.536 135 P HA 0.060 nan 4.420 nan 0.000 0.256 135 P C -1.793 175.512 177.300 0.009 0.000 1.173 135 P CA -1.038 62.062 63.100 0.000 0.000 0.768 135 P CB 0.137 31.836 31.700 -0.002 0.000 0.758 136 P HA -0.239 nan 4.420 nan 0.000 0.217 136 P C 0.937 178.244 177.300 0.011 0.000 1.151 136 P CA 1.521 64.631 63.100 0.017 0.000 0.849 136 P CB -0.026 31.680 31.700 0.012 0.000 0.787 137 D N -0.563 119.841 120.400 0.005 0.000 2.144 137 D HA -0.167 4.473 4.640 -0.000 0.000 0.200 137 D C 1.860 178.163 176.300 0.005 0.000 0.978 137 D CA 1.266 55.267 54.000 0.002 0.000 0.833 137 D CB -0.175 40.625 40.800 -0.000 0.000 0.961 137 D HN 0.520 nan 8.370 nan 0.000 0.470 138 E N 0.544 120.749 120.200 0.008 0.000 2.385 138 E HA -0.058 4.292 4.350 -0.000 0.000 0.194 138 E C 2.143 178.758 176.600 0.024 0.000 1.013 138 E CA 0.045 56.452 56.400 0.012 0.000 0.866 138 E CB -0.161 29.543 29.700 0.006 0.000 0.832 138 E HN 0.087 nan 8.360 nan 0.000 0.500 139 L N 0.835 122.077 121.223 0.032 0.000 2.179 139 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 139 L C 2.073 178.975 176.870 0.053 0.000 1.096 139 L CA 1.002 55.879 54.840 0.062 0.000 0.779 139 L CB -0.359 41.751 42.059 0.084 0.000 0.922 139 L HN 0.269 nan 8.230 nan 0.000 0.443 140 L N 0.467 121.699 121.223 0.015 0.000 1.989 140 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 140 L C -0.486 176.381 176.870 -0.006 0.000 1.071 140 L CA 2.060 56.887 54.840 -0.022 0.000 0.749 140 L CB -1.752 40.292 42.059 -0.026 0.000 0.890 140 L HN 0.170 nan 8.230 nan 0.000 0.431 141 P HA -0.205 nan 4.420 nan 0.000 0.216 141 P C 1.447 178.779 177.300 0.053 0.000 1.153 141 P CA 1.660 64.775 63.100 0.025 0.000 0.858 141 P CB -0.091 31.622 31.700 0.022 0.000 0.789 142 Q N -0.808 119.034 119.800 0.070 0.000 2.079 142 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 142 Q C 2.262 178.364 176.000 0.170 0.000 0.974 142 Q CA 1.525 57.398 55.803 0.116 0.000 0.840 142 Q CB -0.748 28.056 28.738 0.111 0.000 0.898 142 Q HN 0.177 nan 8.270 nan 0.000 0.430 143 A N 1.361 124.254 122.820 0.122 0.000 1.877 143 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 143 A C 2.045 179.697 177.584 0.113 0.000 1.186 143 A CA 1.243 53.328 52.037 0.080 0.000 0.620 143 A CB -0.502 18.311 19.000 -0.312 0.000 0.822 143 A HN 0.233 nan 8.150 nan 0.000 0.443 144 I N -0.122 120.480 120.570 0.054 0.000 2.179 144 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 144 I C 2.459 178.653 176.117 0.129 0.000 1.088 144 I CA 1.306 62.649 61.300 0.072 0.000 1.357 144 I CB -1.613 36.408 38.000 0.034 0.000 1.051 144 I HN 0.353 nan 8.210 nan 0.000 0.409 145 E N 0.637 120.916 120.200 0.133 0.000 2.086 145 E HA -0.280 4.070 4.350 -0.000 0.000 0.200 145 E C 2.179 178.891 176.600 0.187 0.000 1.012 145 E CA 1.562 58.047 56.400 0.141 0.000 0.812 145 E CB -0.496 29.286 29.700 0.136 0.000 0.743 145 E HN 0.451 nan 8.360 nan 0.000 0.453 146 F N 1.154 121.185 119.950 0.135 0.000 2.075 146 F HA -0.220 4.307 4.527 -0.000 0.000 0.297 146 F C 2.320 178.236 175.800 0.193 0.000 1.113 146 F CA 1.390 59.498 58.000 0.180 0.000 1.218 146 F CB -0.627 38.495 39.000 0.203 0.000 0.984 146 F HN -0.174 nan 8.300 nan 0.000 0.472 147 V N 1.370 121.277 119.914 -0.011 0.000 2.380 147 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 147 V C 2.229 178.338 176.094 0.024 0.000 1.063 147 V CA 2.224 64.505 62.300 -0.031 0.000 1.055 147 V CB -1.084 30.859 31.823 0.201 0.000 0.657 147 V HN 0.401 nan 8.190 nan 0.000 0.455 148 N N -0.019 118.731 118.700 0.083 0.000 2.106 148 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 148 N C 1.920 177.409 175.510 -0.035 0.000 1.029 148 N CA 1.674 54.793 53.050 0.114 0.000 0.848 148 N CB -0.468 38.109 38.487 0.150 0.000 1.007 148 N HN 0.648 nan 8.380 nan 0.000 0.423 149 Q N -0.458 119.300 119.800 -0.070 0.000 2.096 149 Q HA -0.216 4.124 4.340 -0.000 0.000 0.204 149 Q C 1.976 177.793 176.000 -0.304 0.000 0.982 149 Q CA 1.335 57.090 55.803 -0.080 0.000 0.850 149 Q CB -0.195 28.574 28.738 0.051 0.000 0.901 149 Q HN 0.480 nan 8.270 nan 0.000 0.422 150 Y N -0.236 119.619 120.300 -0.742 0.000 2.114 150 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 150 Y C 1.540 176.951 175.900 -0.815 0.000 1.143 150 Y CA 2.012 59.369 58.100 -1.239 0.000 1.135 150 Y CB -0.525 37.197 38.460 -1.230 0.000 0.980 150 Y HN 0.182 nan 8.280 nan 0.000 0.499 151 Y N -0.081 119.952 120.300 -0.447 0.000 2.439 151 Y HA 0.019 4.569 4.550 -0.000 0.000 0.292 151 Y C 2.583 178.351 175.900 -0.221 0.000 1.130 151 Y CA 1.130 59.025 58.100 -0.341 0.000 1.254 151 Y CB -0.755 37.276 38.460 -0.715 0.000 1.000 151 Y HN 0.245 nan 8.280 nan 0.000 0.554 152 G N -1.138 107.575 108.800 -0.145 0.000 2.534 152 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.217 152 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.217 152 G C 1.815 176.636 174.900 -0.133 0.000 1.128 152 G CA 0.993 46.046 45.100 -0.079 0.000 0.784 152 G HN 0.468 nan 8.290 nan 0.000 0.542 153 S N 0.213 115.717 115.700 -0.328 0.000 2.387 153 S HA 0.138 4.608 4.470 -0.000 0.000 0.226 153 S C 0.868 175.233 174.600 -0.391 0.000 1.026 153 S CA -0.228 57.743 58.200 -0.382 0.000 0.972 153 S CB -0.402 62.422 63.200 -0.627 0.000 0.814 153 S HN 0.071 nan 8.310 nan 0.000 0.477 154 F N 3.801 123.578 119.950 -0.288 0.000 2.563 154 F HA 0.246 4.773 4.527 -0.000 0.000 0.363 154 F C 1.915 177.652 175.800 -0.105 0.000 1.123 154 F CA -0.614 57.268 58.000 -0.197 0.000 1.307 154 F CB 0.561 39.433 39.000 -0.214 0.000 1.115 154 F HN 0.064 nan 8.300 nan 0.000 0.592 155 K N 1.789 122.253 120.400 0.108 0.000 1.965 155 K HA -0.172 4.147 4.320 -0.000 0.000 0.218 155 K C 0.011 176.651 176.600 0.065 0.000 1.048 155 K CA 1.264 57.585 56.287 0.058 0.000 0.960 155 K CB -0.988 31.538 32.500 0.043 0.000 0.732 155 K HN 0.594 nan 8.250 nan 0.000 0.444 156 E N 1.810 122.052 120.200 0.070 0.000 2.152 156 E HA 0.484 4.834 4.350 -0.000 0.000 0.285 156 E C -0.783 175.842 176.600 0.041 0.000 1.043 156 E CA -0.468 55.957 56.400 0.041 0.000 0.839 156 E CB 1.126 30.838 29.700 0.021 0.000 1.069 156 E HN 0.408 nan 8.360 nan 0.000 0.399 157 A N 4.521 127.363 122.820 0.038 0.000 2.546 157 A HA 0.080 4.400 4.320 -0.000 0.000 0.243 157 A C 0.022 177.604 177.584 -0.003 0.000 1.063 157 A CA -0.331 51.730 52.037 0.039 0.000 0.757 157 A CB 0.126 19.153 19.000 0.046 0.000 0.991 157 A HN 0.468 nan 8.150 nan 0.000 0.503 158 K N 4.332 124.718 120.400 -0.023 0.000 2.559 158 K HA 0.165 4.485 4.320 -0.000 0.000 0.236 158 K C 0.822 177.367 176.600 -0.092 0.000 1.185 158 K CA -0.488 55.754 56.287 -0.075 0.000 1.157 158 K CB 0.034 32.474 32.500 -0.100 0.000 1.782 158 K HN 0.668 nan 8.250 nan 0.000 0.419 159 I N 0.511 121.050 120.570 -0.050 0.000 2.185 159 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 159 I C 2.228 178.284 176.117 -0.103 0.000 1.088 159 I CA 1.582 62.845 61.300 -0.061 0.000 1.347 159 I CB -0.660 37.307 38.000 -0.054 0.000 1.041 159 I HN 0.411 nan 8.210 nan 0.000 0.415 160 E N 1.694 121.839 120.200 -0.091 0.000 2.000 160 E HA -0.230 4.120 4.350 -0.000 0.000 0.199 160 E C 2.100 178.631 176.600 -0.115 0.000 1.011 160 E CA 1.909 58.257 56.400 -0.088 0.000 0.836 160 E CB -0.265 29.397 29.700 -0.063 0.000 0.778 160 E HN 0.487 nan 8.360 nan 0.000 0.462 161 E N -0.868 119.258 120.200 -0.124 0.000 2.130 161 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 161 E C 2.157 178.558 176.600 -0.331 0.000 0.998 161 E CA 1.294 57.615 56.400 -0.131 0.000 0.806 161 E CB -0.362 29.323 29.700 -0.025 0.000 0.738 161 E HN 0.511 nan 8.360 nan 0.000 0.459 162 H N 0.603 119.212 119.070 -0.768 0.000 2.253 162 H HA -0.146 4.410 4.556 -0.000 0.000 0.296 162 H C 2.371 177.422 175.328 -0.462 0.000 1.074 162 H CA 1.209 56.625 56.048 -1.053 0.000 1.263 162 H CB 0.007 29.317 29.762 -0.754 0.000 1.363 162 H HN 0.102 nan 8.280 nan 0.000 0.489 163 L N 0.888 121.981 121.223 -0.217 0.000 2.042 163 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 163 L C 2.561 179.366 176.870 -0.108 0.000 1.076 163 L CA 1.872 56.597 54.840 -0.192 0.000 0.749 163 L CB -1.483 40.474 42.059 -0.170 0.000 0.893 163 L HN 0.500 nan 8.230 nan 0.000 0.432 164 A N 0.085 122.850 122.820 -0.092 0.000 1.883 164 A HA -0.290 4.030 4.320 -0.000 0.000 0.217 164 A C 2.330 179.906 177.584 -0.013 0.000 1.186 164 A CA 1.959 53.968 52.037 -0.046 0.000 0.624 164 A CB -0.576 18.402 19.000 -0.036 0.000 0.822 164 A HN 0.467 nan 8.150 nan 0.000 0.444 165 R N -0.093 120.409 120.500 0.003 0.000 2.062 165 R HA -0.074 4.266 4.340 -0.000 0.000 0.231 165 R C 1.886 178.222 176.300 0.060 0.000 1.136 165 R CA 2.046 58.194 56.100 0.080 0.000 0.948 165 R CB -1.236 29.193 30.300 0.215 0.000 0.845 165 R HN 0.254 nan 8.270 nan 0.000 0.430 166 V N 0.897 120.839 119.914 0.047 0.000 2.324 166 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 166 V C 2.210 178.293 176.094 -0.018 0.000 1.060 166 V CA 2.336 64.647 62.300 0.019 0.000 1.042 166 V CB -0.611 31.202 31.823 -0.017 0.000 0.650 166 V HN 0.381 nan 8.190 nan 0.000 0.450 167 E N 0.207 120.392 120.200 -0.025 0.000 2.006 167 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 167 E C 2.311 178.901 176.600 -0.017 0.000 0.993 167 E CA 1.489 57.873 56.400 -0.027 0.000 0.808 167 E CB -0.619 29.064 29.700 -0.029 0.000 0.764 167 E HN 0.504 nan 8.360 nan 0.000 0.449 168 A N 0.144 122.963 122.820 -0.001 0.000 1.927 168 A HA -0.241 4.079 4.320 -0.000 0.000 0.220 168 A C 2.453 180.042 177.584 0.008 0.000 1.185 168 A CA 1.975 54.020 52.037 0.013 0.000 0.639 168 A CB -0.960 18.060 19.000 0.033 0.000 0.820 168 A HN 0.201 nan 8.150 nan 0.000 0.451 169 V N -0.438 119.469 119.914 -0.012 0.000 2.270 169 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 169 V C 2.745 178.771 176.094 -0.114 0.000 1.043 169 V CA 2.470 64.719 62.300 -0.085 0.000 1.014 169 V CB -1.479 30.241 31.823 -0.172 0.000 0.645 169 V HN 0.632 nan 8.190 nan 0.000 0.447 170 T N 0.138 114.638 114.554 -0.090 0.000 2.665 170 T HA -0.316 4.033 4.350 -0.000 0.000 0.268 170 T C 1.917 176.591 174.700 -0.043 0.000 1.035 170 T CA 2.167 64.224 62.100 -0.073 0.000 1.151 170 T CB -0.304 68.532 68.868 -0.052 0.000 0.862 170 T HN 0.425 nan 8.240 nan 0.000 0.438 171 K N 1.416 121.800 120.400 -0.026 0.000 2.001 171 K HA -0.182 4.137 4.320 -0.000 0.000 0.214 171 K C 2.288 178.888 176.600 0.001 0.000 1.050 171 K CA 2.070 58.351 56.287 -0.010 0.000 0.934 171 K CB -0.399 32.099 32.500 -0.003 0.000 0.718 171 K HN 0.443 nan 8.250 nan 0.000 0.443 172 E N -0.017 120.190 120.200 0.011 0.000 2.097 172 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 172 E C 1.980 178.608 176.600 0.046 0.000 1.000 172 E CA 1.799 58.223 56.400 0.040 0.000 0.804 172 E CB -0.145 29.602 29.700 0.078 0.000 0.740 172 E HN 0.458 nan 8.360 nan 0.000 0.454 173 I N 1.277 121.860 120.570 0.022 0.000 2.226 173 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 173 I C 2.414 178.543 176.117 0.020 0.000 1.100 173 I CA 1.581 62.899 61.300 0.031 0.000 1.374 173 I CB -0.478 37.507 38.000 -0.026 0.000 1.057 173 I HN 0.257 nan 8.210 nan 0.000 0.413 174 E N 0.503 120.705 120.200 0.004 0.000 2.299 174 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 174 E C 1.816 178.420 176.600 0.006 0.000 0.998 174 E CA 1.490 57.892 56.400 0.003 0.000 0.851 174 E CB -0.325 29.372 29.700 -0.005 0.000 0.795 174 E HN 0.536 nan 8.360 nan 0.000 0.492 175 T N -1.110 113.450 114.554 0.010 0.000 3.044 175 T HA -0.009 4.341 4.350 -0.000 0.000 0.255 175 T C 2.005 176.713 174.700 0.013 0.000 1.073 175 T CA 1.117 63.223 62.100 0.010 0.000 1.125 175 T CB 0.135 69.010 68.868 0.010 0.000 0.908 175 T HN 0.257 nan 8.240 nan 0.000 0.480 176 T N -3.427 111.139 114.554 0.021 0.000 2.975 176 T HA 0.538 4.888 4.350 -0.000 0.000 0.261 176 T C 1.884 176.595 174.700 0.018 0.000 0.984 176 T CA 0.744 62.856 62.100 0.020 0.000 0.911 176 T CB 0.127 69.012 68.868 0.028 0.000 1.127 176 T HN 0.876 nan 8.240 nan 0.000 0.514 177 G N 0.263 109.079 108.800 0.026 0.000 2.217 177 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 177 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 177 G C 0.235 175.164 174.900 0.048 0.000 0.990 177 G CA 0.620 45.735 45.100 0.025 0.000 0.627 177 G HN 1.013 nan 8.290 nan 0.000 0.522 178 T N -1.448 113.153 114.554 0.078 0.000 2.612 178 T HA 0.697 5.047 4.350 -0.000 0.000 0.296 178 T C -1.677 173.176 174.700 0.257 0.000 1.148 178 T CA 0.602 62.786 62.100 0.139 0.000 1.077 178 T CB 1.190 70.066 68.868 0.012 0.000 1.591 178 T HN 1.671 nan 8.240 nan 0.000 0.479 179 Y N -0.582 119.705 120.300 -0.021 0.000 2.677 179 Y HA 0.782 5.332 4.550 -0.000 0.000 0.334 179 Y C -1.473 174.425 175.900 -0.004 0.000 1.196 179 Y CA -1.219 56.878 58.100 -0.004 0.000 1.059 179 Y CB 0.679 39.149 38.460 0.016 0.000 1.315 179 Y HN 0.417 nan 8.280 nan 0.000 0.455 180 Q N 2.048 121.873 119.800 0.042 0.000 2.266 180 Q HA 0.571 4.911 4.340 -0.000 0.000 0.261 180 Q C -0.994 175.030 176.000 0.039 0.000 0.985 180 Q CA -0.843 54.939 55.803 -0.036 0.000 0.873 180 Q CB 2.770 31.517 28.738 0.014 0.000 1.306 180 Q HN 0.854 nan 8.270 nan 0.000 0.447 181 L N 1.152 122.370 121.223 -0.008 0.000 2.357 181 L HA 0.386 4.726 4.340 -0.000 0.000 0.273 181 L C 1.044 177.933 176.870 0.032 0.000 1.080 181 L CA -0.673 54.190 54.840 0.038 0.000 0.803 181 L CB 1.233 43.282 42.059 -0.017 0.000 1.174 181 L HN 0.699 nan 8.230 nan 0.000 0.443 182 T N -0.915 113.652 114.554 0.023 0.000 2.766 182 T HA 0.151 4.501 4.350 -0.000 0.000 0.295 182 T C 1.345 176.047 174.700 0.003 0.000 1.024 182 T CA -0.098 62.007 62.100 0.007 0.000 1.018 182 T CB 1.302 70.161 68.868 -0.016 0.000 1.002 182 T HN 0.706 nan 8.240 nan 0.000 0.532 183 G N 0.444 109.254 108.800 0.015 0.000 2.514 183 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 183 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 183 G C 1.185 176.107 174.900 0.036 0.000 1.198 183 G CA 1.169 46.278 45.100 0.016 0.000 0.780 183 G HN 0.895 nan 8.290 nan 0.000 0.565 184 D N -0.040 120.405 120.400 0.074 0.000 2.218 184 D HA -0.034 4.606 4.640 -0.000 0.000 0.204 184 D C 2.384 178.816 176.300 0.219 0.000 0.976 184 D CA 0.979 55.074 54.000 0.158 0.000 0.853 184 D CB -0.074 40.870 40.800 0.241 0.000 0.939 184 D HN 0.509 nan 8.370 nan 0.000 0.481 185 E N -0.694 119.525 120.200 0.030 0.000 2.077 185 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 185 E C 1.903 178.647 176.600 0.239 0.000 0.989 185 E CA 0.471 56.853 56.400 -0.030 0.000 0.800 185 E CB -0.043 29.540 29.700 -0.194 0.000 0.746 185 E HN 0.246 nan 8.360 nan 0.000 0.452 186 L N 1.105 122.377 121.223 0.082 0.000 1.994 186 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 186 L C 2.018 178.903 176.870 0.024 0.000 1.071 186 L CA 1.540 56.372 54.840 -0.014 0.000 0.745 186 L CB -0.362 41.639 42.059 -0.095 0.000 0.892 186 L HN 0.140 nan 8.230 nan 0.000 0.431 187 I N -1.080 119.526 120.570 0.060 0.000 2.151 187 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 187 I C 2.423 178.621 176.117 0.135 0.000 1.080 187 I CA 2.025 63.360 61.300 0.058 0.000 1.339 187 I CB -0.525 37.514 38.000 0.065 0.000 1.039 187 I HN 0.362 nan 8.210 nan 0.000 0.409 188 F N 1.799 121.818 119.950 0.115 0.000 2.095 188 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 188 F C 2.488 178.383 175.800 0.159 0.000 1.104 188 F CA 1.594 59.686 58.000 0.154 0.000 1.232 188 F CB -0.461 38.700 39.000 0.268 0.000 0.987 188 F HN 0.011 nan 8.300 nan 0.000 0.475 189 A N 0.130 123.057 122.820 0.178 0.000 1.908 189 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 189 A C 2.279 179.746 177.584 -0.196 0.000 1.181 189 A CA 2.817 54.849 52.037 -0.008 0.000 0.627 189 A CB -1.701 17.298 19.000 -0.001 0.000 0.818 189 A HN 0.594 nan 8.150 nan 0.000 0.445 190 T N -1.482 112.989 114.554 -0.138 0.000 2.674 190 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 190 T C 1.823 176.533 174.700 0.017 0.000 1.039 190 T CA 1.544 63.586 62.100 -0.097 0.000 1.150 190 T CB -0.399 68.432 68.868 -0.062 0.000 0.864 190 T HN 0.540 nan 8.240 nan 0.000 0.427 191 K N 0.607 121.034 120.400 0.044 0.000 2.097 191 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 191 K C 2.644 179.295 176.600 0.084 0.000 1.049 191 K CA 1.392 57.801 56.287 0.203 0.000 0.933 191 K CB -0.209 32.420 32.500 0.216 0.000 0.717 191 K HN 0.279 nan 8.250 nan 0.000 0.442 192 Q N 0.755 120.410 119.800 -0.241 0.000 2.083 192 Q HA -0.017 4.322 4.340 -0.000 0.000 0.198 192 Q C 1.917 177.743 176.000 -0.289 0.000 0.969 192 Q CA 1.690 57.238 55.803 -0.426 0.000 0.838 192 Q CB -0.236 28.080 28.738 -0.703 0.000 0.900 192 Q HN 0.313 nan 8.270 nan 0.000 0.436 193 A N -0.550 122.097 122.820 -0.287 0.000 1.972 193 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 193 A C 1.808 179.309 177.584 -0.138 0.000 1.169 193 A CA 1.437 53.218 52.037 -0.427 0.000 0.635 193 A CB -1.093 17.282 19.000 -1.041 0.000 0.810 193 A HN 0.691 nan 8.150 nan 0.000 0.446 194 W N 0.986 122.242 121.300 -0.074 0.000 2.378 194 W HA -0.109 4.551 4.660 -0.000 0.000 0.313 194 W C 2.267 178.695 176.519 -0.151 0.000 1.197 194 W CA 1.492 58.816 57.345 -0.035 0.000 1.304 194 W CB -0.763 28.669 29.460 -0.045 0.000 1.148 194 W HN 0.356 nan 8.180 nan 0.000 0.494 195 R N 0.478 120.894 120.500 -0.139 0.000 2.159 195 R HA -0.172 4.167 4.340 -0.000 0.000 0.237 195 R C 1.350 177.497 176.300 -0.255 0.000 1.131 195 R CA 1.726 57.558 56.100 -0.447 0.000 0.982 195 R CB -0.499 29.235 30.300 -0.944 0.000 0.868 195 R HN 0.108 nan 8.270 nan 0.000 0.453 196 N N 0.087 118.683 118.700 -0.174 0.000 2.336 196 N HA 0.042 4.782 4.740 -0.000 0.000 0.189 196 N C -0.531 174.942 175.510 -0.062 0.000 1.113 196 N CA 0.505 53.503 53.050 -0.087 0.000 0.858 196 N CB 0.835 39.313 38.487 -0.015 0.000 0.970 196 N HN 0.143 nan 8.380 nan 0.000 0.471 197 A N 2.606 125.353 122.820 -0.121 0.000 2.410 197 A HA 0.236 4.556 4.320 -0.000 0.000 0.292 197 A C -1.093 176.448 177.584 -0.071 0.000 1.232 197 A CA -1.090 50.824 52.037 -0.206 0.000 0.893 197 A CB 0.457 19.360 19.000 -0.162 0.000 1.131 197 A HN -0.005 nan 8.150 nan 0.000 0.530 198 P HA -0.122 nan 4.420 nan 0.000 0.230 198 P C 0.802 178.099 177.300 -0.005 0.000 1.158 198 P CA 0.952 64.046 63.100 -0.009 0.000 0.769 198 P CB 0.245 31.933 31.700 -0.021 0.000 0.807 199 R N -1.552 118.911 120.500 -0.060 0.000 2.334 199 R HA 0.142 4.482 4.340 -0.000 0.000 0.212 199 R C 0.732 177.071 176.300 0.064 0.000 0.897 199 R CA -0.144 55.947 56.100 -0.014 0.000 1.056 199 R CB -0.179 29.978 30.300 -0.239 0.000 1.046 199 R HN 0.150 nan 8.270 nan 0.000 0.513 200 C N 1.135 120.459 119.300 0.040 0.000 2.394 200 C HA 0.275 4.735 4.460 -0.000 0.000 0.362 200 C C 1.836 176.868 174.990 0.069 0.000 1.268 200 C CA -0.680 58.386 59.018 0.079 0.000 1.828 200 C CB -0.568 27.268 27.740 0.160 0.000 2.442 200 C HN 0.547 nan 8.230 nan 0.000 0.549 201 I N 4.325 124.899 120.570 0.005 0.000 3.226 201 I HA 0.199 4.369 4.170 -0.000 0.000 0.277 201 I C 1.837 178.041 176.117 0.145 0.000 1.243 201 I CA 1.039 62.304 61.300 -0.059 0.000 1.459 201 I CB 0.034 37.933 38.000 -0.168 0.000 1.093 201 I HN 0.882 nan 8.210 nan 0.000 0.453 202 G N 0.272 109.126 108.800 0.090 0.000 3.383 202 G HA2 0.032 3.992 3.960 -0.000 0.000 0.251 202 G HA3 0.032 3.992 3.960 -0.000 0.000 0.251 202 G C 1.235 176.126 174.900 -0.014 0.000 1.203 202 G CA -0.374 44.760 45.100 0.056 0.000 0.852 202 G HN 0.252 nan 8.290 nan 0.000 0.531 203 R N -0.227 120.159 120.500 -0.190 0.000 2.341 203 R HA 0.057 4.397 4.340 -0.000 0.000 0.213 203 R C 1.967 177.734 176.300 -0.889 0.000 1.082 203 R CA 0.268 55.924 56.100 -0.740 0.000 1.017 203 R CB -0.156 29.544 30.300 -0.999 0.000 0.860 203 R HN 0.481 nan 8.270 nan 0.000 0.473 204 I N 0.688 120.950 120.570 -0.515 0.000 2.756 204 I HA -0.214 3.956 4.170 -0.000 0.000 0.262 204 I C 1.223 177.229 176.117 -0.185 0.000 1.225 204 I CA 1.146 62.356 61.300 -0.150 0.000 1.472 204 I CB 0.178 38.185 38.000 0.012 0.000 1.094 204 I HN 0.170 nan 8.210 nan 0.000 0.454 205 Q N 0.556 120.158 119.800 -0.330 0.000 2.360 205 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 205 Q C 1.558 177.058 176.000 -0.833 0.000 0.915 205 Q CA 0.202 55.793 55.803 -0.354 0.000 0.943 205 Q CB -0.150 28.550 28.738 -0.063 0.000 1.064 205 Q HN 0.776 nan 8.270 nan 0.000 0.511 206 W N 1.188 121.696 121.300 -1.320 0.000 2.321 206 W HA -0.236 4.424 4.660 -0.000 0.000 0.285 206 W C 1.213 177.411 176.519 -0.536 0.000 1.213 206 W CA 1.532 58.000 57.345 -1.462 0.000 1.205 206 W CB -1.165 27.651 29.460 -1.073 0.000 1.134 206 W HN 0.148 nan 8.180 nan 0.000 0.549 207 S N 0.762 115.750 115.700 -1.186 0.000 2.436 207 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 207 S C 0.400 174.777 174.600 -0.371 0.000 1.014 207 S CA 0.424 58.058 58.200 -0.943 0.000 0.950 207 S CB -0.791 61.744 63.200 -1.108 0.000 0.784 207 S HN 0.170 nan 8.310 nan 0.000 0.504 208 N N 1.777 120.338 118.700 -0.232 0.000 2.602 208 N HA 0.600 5.340 4.740 -0.000 0.000 0.238 208 N C -1.287 174.312 175.510 0.147 0.000 1.084 208 N CA -0.229 52.807 53.050 -0.023 0.000 0.952 208 N CB 1.075 39.583 38.487 0.035 0.000 1.244 208 N HN 0.307 nan 8.380 nan 0.000 0.512 209 L N 1.628 122.909 121.223 0.096 0.000 2.505 209 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 209 L C -1.258 175.583 176.870 -0.050 0.000 0.954 209 L CA -0.776 54.127 54.840 0.105 0.000 0.852 209 L CB 1.990 44.167 42.059 0.197 0.000 1.282 209 L HN 0.280 nan 8.230 nan 0.000 0.403 210 Q N 3.198 122.915 119.800 -0.138 0.000 2.279 210 Q HA 0.631 4.971 4.340 -0.000 0.000 0.256 210 Q C -1.689 173.939 176.000 -0.621 0.000 0.937 210 Q CA -0.220 55.324 55.803 -0.432 0.000 0.933 210 Q CB 1.448 29.788 28.738 -0.663 0.000 1.189 210 Q HN 0.515 nan 8.270 nan 0.000 0.417 211 V N 5.716 125.267 119.914 -0.605 0.000 2.384 211 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 211 V C -0.812 174.915 176.094 -0.611 0.000 1.020 211 V CA -0.624 61.369 62.300 -0.513 0.000 0.850 211 V CB 0.629 32.292 31.823 -0.266 0.000 0.987 211 V HN 0.653 nan 8.190 nan 0.000 0.436 212 F N 2.552 122.314 119.950 -0.312 0.000 2.361 212 F HA 0.385 4.912 4.527 -0.000 0.000 0.364 212 F C 0.511 176.137 175.800 -0.290 0.000 1.120 212 F CA -0.991 56.832 58.000 -0.296 0.000 1.102 212 F CB 1.018 39.812 39.000 -0.343 0.000 1.183 212 F HN 0.427 nan 8.300 nan 0.000 0.476 213 D N 3.283 123.655 120.400 -0.047 0.000 2.352 213 D HA 0.383 5.023 4.640 -0.000 0.000 0.245 213 D C 0.080 176.285 176.300 -0.159 0.000 1.224 213 D CA 0.200 54.138 54.000 -0.103 0.000 0.879 213 D CB 1.122 41.886 40.800 -0.059 0.000 1.057 213 D HN 0.626 nan 8.370 nan 0.000 0.491 214 A N 4.610 127.272 122.820 -0.264 0.000 2.676 214 A HA 0.170 4.490 4.320 -0.000 0.000 0.297 214 A C 1.533 179.065 177.584 -0.087 0.000 1.132 214 A CA -0.407 51.410 52.037 -0.366 0.000 0.972 214 A CB 0.113 18.674 19.000 -0.730 0.000 1.197 214 A HN 0.525 nan 8.150 nan 0.000 0.524 215 R N 0.268 120.734 120.500 -0.056 0.000 2.236 215 R HA -0.069 4.271 4.340 -0.000 0.000 0.208 215 R C 1.940 178.203 176.300 -0.062 0.000 1.036 215 R CA 1.341 57.423 56.100 -0.030 0.000 1.001 215 R CB -0.006 30.304 30.300 0.016 0.000 0.896 215 R HN 0.629 nan 8.270 nan 0.000 0.464 216 S N -0.244 115.444 115.700 -0.020 0.000 2.461 216 S HA -0.057 4.413 4.470 -0.000 0.000 0.228 216 S C 1.256 175.878 174.600 0.037 0.000 1.005 216 S CA -0.245 57.963 58.200 0.014 0.000 0.942 216 S CB -0.354 62.877 63.200 0.053 0.000 0.776 216 S HN 0.322 nan 8.310 nan 0.000 0.514 217 C N 3.163 122.499 119.300 0.059 0.000 2.641 217 C HA 0.425 4.885 4.460 -0.000 0.000 0.412 217 C C 1.877 176.899 174.990 0.052 0.000 1.312 217 C CA 0.608 59.707 59.018 0.135 0.000 1.838 217 C CB 0.291 28.174 27.740 0.238 0.000 2.682 217 C HN 0.737 nan 8.230 nan 0.000 0.627 218 S N 1.410 117.240 115.700 0.217 0.000 2.617 218 S HA 0.184 4.654 4.470 -0.000 0.000 0.278 218 S C 0.233 175.046 174.600 0.355 0.000 1.082 218 S CA 0.192 58.596 58.200 0.340 0.000 1.228 218 S CB 0.007 63.327 63.200 0.201 0.000 1.130 218 S HN 0.869 nan 8.310 nan 0.000 0.621 219 T N 0.651 115.346 114.554 0.234 0.000 2.908 219 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 219 T C 1.250 175.987 174.700 0.063 0.000 1.034 219 T CA 0.095 62.267 62.100 0.121 0.000 1.010 219 T CB 1.460 70.387 68.868 0.098 0.000 1.068 219 T HN 0.298 nan 8.240 nan 0.000 0.481 220 A N 3.219 126.040 122.820 0.001 0.000 1.892 220 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 220 A C 2.194 179.682 177.584 -0.160 0.000 1.188 220 A CA 2.407 54.414 52.037 -0.051 0.000 0.631 220 A CB -0.752 18.302 19.000 0.089 0.000 0.822 220 A HN 0.916 nan 8.150 nan 0.000 0.447 221 R N -0.049 120.464 120.500 0.022 0.000 2.091 221 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 221 R C 2.004 178.288 176.300 -0.027 0.000 1.136 221 R CA 2.012 58.109 56.100 -0.005 0.000 0.959 221 R CB -0.402 30.022 30.300 0.207 0.000 0.856 221 R HN 0.673 nan 8.270 nan 0.000 0.437 222 E N 0.033 120.251 120.200 0.030 0.000 2.118 222 E HA -0.229 4.120 4.350 -0.000 0.000 0.195 222 E C 2.108 178.774 176.600 0.111 0.000 0.992 222 E CA 1.833 58.267 56.400 0.056 0.000 0.804 222 E CB -0.112 29.666 29.700 0.130 0.000 0.741 222 E HN 0.448 nan 8.360 nan 0.000 0.458 223 M N -0.067 119.571 119.600 0.063 0.000 2.080 223 M HA -0.186 4.293 4.480 -0.000 0.000 0.260 223 M C 2.247 178.617 176.300 0.117 0.000 1.068 223 M CA 1.407 56.748 55.300 0.069 0.000 1.109 223 M CB -0.433 31.994 32.600 -0.288 0.000 1.342 223 M HN 0.128 nan 8.290 nan 0.000 0.405 224 F N 1.637 121.400 119.950 -0.313 0.000 2.091 224 F HA -0.245 4.282 4.527 -0.000 0.000 0.299 224 F C 2.069 177.782 175.800 -0.146 0.000 1.103 224 F CA 2.038 59.820 58.000 -0.364 0.000 1.228 224 F CB -0.418 38.074 39.000 -0.846 0.000 0.984 224 F HN 0.175 nan 8.300 nan 0.000 0.477 225 E N -1.254 118.797 120.200 -0.248 0.000 2.110 225 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 225 E C 2.174 178.603 176.600 -0.285 0.000 0.988 225 E CA 1.264 57.465 56.400 -0.332 0.000 0.804 225 E CB -0.422 29.151 29.700 -0.211 0.000 0.745 225 E HN 0.515 nan 8.360 nan 0.000 0.458 226 H N 0.413 119.422 119.070 -0.102 0.000 2.357 226 H HA -0.050 4.506 4.556 -0.000 0.000 0.301 226 H C 2.223 177.452 175.328 -0.166 0.000 1.082 226 H CA 1.069 57.054 56.048 -0.105 0.000 1.342 226 H CB -0.031 29.776 29.762 0.077 0.000 1.389 226 H HN 0.186 nan 8.280 nan 0.000 0.511 227 I N -0.205 120.388 120.570 0.039 0.000 2.252 227 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 227 I C 2.606 178.636 176.117 -0.146 0.000 1.102 227 I CA 0.782 62.071 61.300 -0.019 0.000 1.385 227 I CB -0.278 37.731 38.000 0.016 0.000 1.064 227 I HN 0.203 nan 8.210 nan 0.000 0.414 228 C N 0.255 119.373 119.300 -0.303 0.000 2.422 228 C HA -0.148 4.312 4.460 -0.000 0.000 0.279 228 C C 2.940 177.817 174.990 -0.189 0.000 1.305 228 C CA 0.778 59.613 59.018 -0.305 0.000 1.757 228 C CB -1.271 26.178 27.740 -0.485 0.000 1.962 228 C HN 0.451 nan 8.230 nan 0.000 0.499 229 R N -0.151 120.219 120.500 -0.216 0.000 2.075 229 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 229 R C 2.213 178.387 176.300 -0.211 0.000 1.126 229 R CA 1.612 57.576 56.100 -0.227 0.000 0.963 229 R CB -0.558 29.542 30.300 -0.334 0.000 0.858 229 R HN 0.768 nan 8.270 nan 0.000 0.435 230 H N -0.636 118.195 119.070 -0.398 0.000 2.290 230 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 230 H C 1.886 177.248 175.328 0.056 0.000 1.087 230 H CA 1.817 57.733 56.048 -0.220 0.000 1.291 230 H CB 0.158 29.829 29.762 -0.152 0.000 1.369 230 H HN 0.055 nan 8.280 nan 0.000 0.492 231 V N 0.910 120.881 119.914 0.094 0.000 2.287 231 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 231 V C 2.611 178.755 176.094 0.084 0.000 1.053 231 V CA 2.207 64.525 62.300 0.031 0.000 1.027 231 V CB -0.668 31.118 31.823 -0.062 0.000 0.646 231 V HN 0.407 nan 8.190 nan 0.000 0.447 232 R N -1.228 119.307 120.500 0.058 0.000 2.096 232 R HA -0.249 4.091 4.340 -0.000 0.000 0.240 232 R C 2.369 178.741 176.300 0.121 0.000 1.139 232 R CA 2.420 58.556 56.100 0.060 0.000 0.952 232 R CB -0.489 29.829 30.300 0.030 0.000 0.854 232 R HN 0.665 nan 8.270 nan 0.000 0.436 233 Y N 0.597 120.951 120.300 0.089 0.000 2.089 233 Y HA -0.208 4.342 4.550 -0.000 0.000 0.282 233 Y C 2.414 178.412 175.900 0.163 0.000 1.139 233 Y CA 2.178 60.372 58.100 0.157 0.000 1.123 233 Y CB -0.468 38.173 38.460 0.301 0.000 0.980 233 Y HN 0.002 nan 8.280 nan 0.000 0.493 234 S N -0.326 115.547 115.700 0.288 0.000 2.370 234 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 234 S C 1.903 176.528 174.600 0.042 0.000 1.033 234 S CA 1.777 60.075 58.200 0.163 0.000 1.011 234 S CB -0.750 62.649 63.200 0.332 0.000 0.852 234 S HN 0.613 nan 8.310 nan 0.000 0.457 235 T N 1.647 116.232 114.554 0.052 0.000 2.684 235 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 235 T C 1.079 175.773 174.700 -0.010 0.000 1.036 235 T CA 1.355 63.475 62.100 0.033 0.000 1.148 235 T CB -0.649 68.236 68.868 0.028 0.000 0.863 235 T HN 0.494 nan 8.240 nan 0.000 0.436 236 N N 1.674 120.342 118.700 -0.052 0.000 2.710 236 N HA -0.277 4.463 4.740 -0.000 0.000 0.249 236 N C 0.125 175.606 175.510 -0.049 0.000 1.059 236 N CA 0.985 53.983 53.050 -0.086 0.000 0.720 236 N CB -2.149 36.244 38.487 -0.156 0.000 0.983 236 N HN 0.658 nan 8.380 nan 0.000 0.544 237 N N -1.834 116.849 118.700 -0.028 0.000 2.735 237 N HA -0.252 4.488 4.740 -0.000 0.000 0.248 237 N C 0.916 176.408 175.510 -0.030 0.000 1.083 237 N CA 1.472 54.507 53.050 -0.025 0.000 0.703 237 N CB -1.264 37.208 38.487 -0.026 0.000 1.005 237 N HN 1.130 nan 8.380 nan 0.000 0.550 238 G N -0.451 108.336 108.800 -0.022 0.000 2.376 238 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.208 238 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.208 238 G C -0.093 174.797 174.900 -0.017 0.000 1.032 238 G CA 0.132 45.219 45.100 -0.022 0.000 0.641 238 G HN 0.432 nan 8.290 nan 0.000 0.503 239 N N 2.639 121.316 118.700 -0.039 0.000 2.807 239 N HA 0.390 5.130 4.740 -0.000 0.000 0.259 239 N C 0.641 176.130 175.510 -0.034 0.000 1.149 239 N CA -0.209 52.805 53.050 -0.060 0.000 1.042 239 N CB 0.145 38.587 38.487 -0.075 0.000 1.367 239 N HN 0.368 nan 8.380 nan 0.000 0.516 240 I N 1.257 121.842 120.570 0.024 0.000 2.919 240 I HA -0.124 4.046 4.170 -0.000 0.000 0.303 240 I C 1.026 177.265 176.117 0.202 0.000 1.221 240 I CA 0.748 62.129 61.300 0.135 0.000 1.444 240 I CB -0.211 37.957 38.000 0.279 0.000 1.331 240 I HN 0.208 nan 8.210 nan 0.000 0.572 241 R N 3.699 124.298 120.500 0.165 0.000 2.686 241 R HA 0.450 4.790 4.340 -0.000 0.000 0.286 241 R C -0.492 175.964 176.300 0.259 0.000 0.969 241 R CA -0.721 55.493 56.100 0.190 0.000 0.898 241 R CB 2.010 32.259 30.300 -0.085 0.000 1.183 241 R HN 0.553 nan 8.270 nan 0.000 0.456 242 S N 1.119 116.971 115.700 0.254 0.000 2.545 242 S HA 0.640 5.110 4.470 -0.000 0.000 0.275 242 S C -0.466 174.231 174.600 0.162 0.000 1.299 242 S CA -0.420 57.853 58.200 0.120 0.000 1.048 242 S CB 1.491 64.689 63.200 -0.003 0.000 0.938 242 S HN 0.702 nan 8.310 nan 0.000 0.496 243 A N 2.451 125.341 122.820 0.117 0.000 2.601 243 A HA 0.818 5.138 4.320 -0.000 0.000 0.291 243 A C -1.469 176.080 177.584 -0.058 0.000 1.075 243 A CA -0.656 51.361 52.037 -0.033 0.000 0.671 243 A CB 1.100 20.092 19.000 -0.014 0.000 1.277 243 A HN 0.812 nan 8.150 nan 0.000 0.417 244 I N 0.276 120.684 120.570 -0.270 0.000 2.752 244 I HA 0.620 4.790 4.170 -0.000 0.000 0.295 244 I C -1.226 174.784 176.117 -0.177 0.000 1.219 244 I CA -0.149 61.099 61.300 -0.087 0.000 1.030 244 I CB 2.410 40.385 38.000 -0.042 0.000 1.259 244 I HN 0.594 nan 8.210 nan 0.000 0.423 245 T N 6.346 120.857 114.554 -0.071 0.000 2.772 245 T HA 0.420 4.770 4.350 -0.000 0.000 0.288 245 T C -0.596 173.863 174.700 -0.402 0.000 0.994 245 T CA -0.318 61.653 62.100 -0.216 0.000 0.951 245 T CB 1.289 70.017 68.868 -0.234 0.000 0.933 245 T HN 0.268 nan 8.240 nan 0.000 0.447 246 V N 5.297 124.985 119.914 -0.377 0.000 2.383 246 V HA 0.466 4.586 4.120 -0.000 0.000 0.275 246 V C -0.338 175.580 176.094 -0.294 0.000 1.036 246 V CA -0.679 61.436 62.300 -0.309 0.000 0.889 246 V CB 0.139 31.780 31.823 -0.303 0.000 0.985 246 V HN 0.669 nan 8.190 nan 0.000 0.459 247 F N 5.040 125.032 119.950 0.071 0.000 2.411 247 F HA 0.539 5.066 4.527 -0.000 0.000 0.324 247 F C -1.889 173.948 175.800 0.062 0.000 1.086 247 F CA -2.765 55.253 58.000 0.030 0.000 1.028 247 F CB 0.441 39.513 39.000 0.119 0.000 1.284 247 F HN 0.295 nan 8.300 nan 0.000 0.501 248 P HA -0.055 nan 4.420 nan 0.000 0.261 248 P C -0.978 176.282 177.300 -0.066 0.000 1.165 248 P CA 0.182 63.188 63.100 -0.156 0.000 0.759 248 P CB 0.083 31.376 31.700 -0.679 0.000 0.772 249 Q N 3.075 122.721 119.800 -0.257 0.000 2.474 249 Q HA 0.097 4.437 4.340 -0.000 0.000 0.256 249 Q C 0.240 176.034 176.000 -0.342 0.000 1.048 249 Q CA -0.541 54.823 55.803 -0.732 0.000 0.922 249 Q CB 0.672 28.701 28.738 -1.182 0.000 1.288 249 Q HN 0.342 nan 8.270 nan 0.000 0.484 250 R N 1.109 121.419 120.500 -0.317 0.000 2.537 250 R HA 0.022 4.361 4.340 -0.000 0.000 0.280 250 R C 0.035 176.250 176.300 -0.141 0.000 1.058 250 R CA 0.673 56.697 56.100 -0.126 0.000 1.057 250 R CB 0.572 30.816 30.300 -0.094 0.000 0.973 250 R HN 0.965 nan 8.270 nan 0.000 0.438 251 S N 2.623 118.283 115.700 -0.067 0.000 2.696 251 S HA -0.046 4.424 4.470 -0.000 0.000 0.172 251 S C 0.938 175.496 174.600 -0.069 0.000 0.767 251 S CA 0.254 58.402 58.200 -0.088 0.000 0.856 251 S CB -0.210 62.929 63.200 -0.102 0.000 0.782 251 S HN 0.818 nan 8.310 nan 0.000 0.582 252 D N 0.460 120.824 120.400 -0.060 0.000 2.350 252 D HA 0.251 4.891 4.640 -0.000 0.000 0.213 252 D C 1.407 177.713 176.300 0.009 0.000 1.031 252 D CA 0.871 54.851 54.000 -0.034 0.000 0.861 252 D CB -0.331 40.438 40.800 -0.051 0.000 0.926 252 D HN 0.914 nan 8.370 nan 0.000 0.520 253 G N 0.733 109.554 108.800 0.035 0.000 2.175 253 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.244 253 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.244 253 G C 0.986 175.928 174.900 0.071 0.000 0.982 253 G CA 0.390 45.513 45.100 0.038 0.000 0.641 253 G HN 0.450 nan 8.290 nan 0.000 0.527 254 K N -0.817 119.677 120.400 0.157 0.000 2.391 254 K HA 0.195 4.515 4.320 -0.000 0.000 0.197 254 K C 0.410 177.101 176.600 0.151 0.000 1.087 254 K CA 0.213 56.595 56.287 0.158 0.000 1.012 254 K CB 0.402 33.023 32.500 0.202 0.000 0.925 254 K HN 0.422 nan 8.250 nan 0.000 0.547 255 H N 1.206 120.298 119.070 0.036 0.000 2.499 255 H HA 0.219 4.775 4.556 -0.000 0.000 0.262 255 H C -1.075 174.332 175.328 0.131 0.000 1.363 255 H CA -0.864 55.226 56.048 0.069 0.000 1.072 255 H CB -0.278 29.544 29.762 0.100 0.000 1.602 255 H HN -0.027 nan 8.280 nan 0.000 0.526 256 D N 0.405 120.903 120.400 0.163 0.000 2.350 256 D HA 0.073 4.713 4.640 -0.000 0.000 0.249 256 D C -0.198 176.191 176.300 0.149 0.000 1.119 256 D CA 0.058 54.165 54.000 0.178 0.000 0.886 256 D CB 0.677 41.544 40.800 0.113 0.000 1.195 256 D HN 0.167 nan 8.370 nan 0.000 0.437 257 F N 2.848 122.840 119.950 0.070 0.000 2.332 257 F HA 0.337 4.864 4.527 -0.000 0.000 0.368 257 F C 0.775 176.625 175.800 0.083 0.000 1.110 257 F CA -0.627 57.389 58.000 0.026 0.000 1.087 257 F CB 0.689 39.690 39.000 0.002 0.000 1.235 257 F HN 0.178 nan 8.300 nan 0.000 0.470 258 R N 1.617 122.229 120.500 0.186 0.000 2.680 258 R HA 0.756 5.096 4.340 -0.000 0.000 0.269 258 R C -2.253 174.231 176.300 0.307 0.000 1.026 258 R CA -1.050 55.205 56.100 0.258 0.000 0.889 258 R CB 1.309 31.745 30.300 0.227 0.000 1.241 258 R HN 0.173 nan 8.270 nan 0.000 0.463 259 V N 2.132 122.235 119.914 0.314 0.000 2.465 259 V HA 0.131 4.250 4.120 -0.000 0.000 0.279 259 V C 0.059 176.425 176.094 0.453 0.000 1.045 259 V CA -0.410 62.087 62.300 0.328 0.000 0.938 259 V CB 0.903 32.864 31.823 0.229 0.000 0.986 259 V HN 0.760 nan 8.190 nan 0.000 0.467 260 W N 1.767 123.169 121.300 0.170 0.000 2.576 260 W HA 0.091 4.751 4.660 -0.000 0.000 0.270 260 W C 0.948 177.624 176.519 0.261 0.000 1.255 260 W CA -0.657 56.871 57.345 0.305 0.000 1.314 260 W CB -0.823 28.931 29.460 0.491 0.000 1.101 260 W HN 0.508 nan 8.180 nan 0.000 0.595 261 N N 0.391 119.258 118.700 0.278 0.000 2.458 261 N HA 0.208 4.948 4.740 -0.000 0.000 0.258 261 N C 1.171 176.578 175.510 -0.172 0.000 1.219 261 N CA 0.753 53.660 53.050 -0.239 0.000 0.902 261 N CB 0.829 39.211 38.487 -0.175 0.000 1.076 261 N HN -0.035 nan 8.380 nan 0.000 0.455 262 A N 2.507 125.161 122.820 -0.276 0.000 1.930 262 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 262 A C 0.448 177.939 177.584 -0.154 0.000 1.175 262 A CA 1.371 53.330 52.037 -0.130 0.000 0.627 262 A CB -0.051 18.903 19.000 -0.078 0.000 0.815 262 A HN 0.745 nan 8.150 nan 0.000 0.443 263 Q N -1.709 117.970 119.800 -0.202 0.000 2.423 263 Q HA 0.555 4.895 4.340 -0.000 0.000 0.278 263 Q C 0.291 176.147 176.000 -0.240 0.000 1.097 263 Q CA -0.637 55.040 55.803 -0.210 0.000 0.809 263 Q CB 1.915 30.559 28.738 -0.158 0.000 1.391 263 Q HN 0.262 nan 8.270 nan 0.000 0.428 264 L N 0.572 121.648 121.223 -0.244 0.000 1.989 264 L HA -0.041 4.298 4.340 -0.000 0.000 0.211 264 L C 0.644 177.348 176.870 -0.276 0.000 1.071 264 L CA 1.408 56.118 54.840 -0.217 0.000 0.749 264 L CB -0.062 41.858 42.059 -0.232 0.000 0.890 264 L HN 0.520 nan 8.230 nan 0.000 0.431 265 I N -0.320 120.000 120.570 -0.416 0.000 2.354 265 I HA 0.350 4.519 4.170 -0.000 0.000 0.292 265 I C -0.064 175.438 176.117 -1.026 0.000 0.989 265 I CA -0.304 60.598 61.300 -0.663 0.000 1.188 265 I CB 1.607 39.151 38.000 -0.762 0.000 1.342 265 I HN 0.130 nan 8.210 nan 0.000 0.457 266 R N 4.536 124.550 120.500 -0.809 0.000 2.634 266 R HA 0.397 4.737 4.340 -0.000 0.000 0.263 266 R C -1.739 174.353 176.300 -0.347 0.000 1.060 266 R CA -0.701 55.018 56.100 -0.635 0.000 0.898 266 R CB 1.726 31.861 30.300 -0.276 0.000 1.253 266 R HN 0.314 nan 8.270 nan 0.000 0.461 267 Y N 0.919 121.211 120.300 -0.013 0.000 2.314 267 Y HA 0.460 5.010 4.550 -0.000 0.000 0.334 267 Y C 0.909 176.835 175.900 0.043 0.000 1.266 267 Y CA -0.174 57.975 58.100 0.082 0.000 1.391 267 Y CB 0.966 39.589 38.460 0.272 0.000 1.306 267 Y HN 0.679 nan 8.280 nan 0.000 0.558 268 A N 0.823 123.748 122.820 0.175 0.000 2.304 268 A HA 0.680 5.000 4.320 -0.000 0.000 0.271 268 A C 0.354 177.783 177.584 -0.258 0.000 1.091 268 A CA 0.148 52.099 52.037 -0.143 0.000 0.812 268 A CB -0.063 18.744 19.000 -0.321 0.000 1.056 268 A HN 0.908 nan 8.150 nan 0.000 0.489 269 G N 0.144 108.705 108.800 -0.398 0.000 2.702 269 G HA2 0.571 4.531 3.960 -0.000 0.000 0.295 269 G HA3 0.571 4.531 3.960 -0.000 0.000 0.295 269 G C -1.314 173.409 174.900 -0.296 0.000 1.446 269 G CA -0.244 44.700 45.100 -0.260 0.000 0.983 269 G HN 0.512 nan 8.290 nan 0.000 0.520 270 Y N 0.399 120.759 120.300 0.101 0.000 2.429 270 Y HA 0.508 5.058 4.550 -0.000 0.000 0.342 270 Y C 0.470 176.439 175.900 0.115 0.000 1.004 270 Y CA -0.975 57.205 58.100 0.134 0.000 1.075 270 Y CB 2.319 40.918 38.460 0.232 0.000 1.214 270 Y HN 0.442 nan 8.280 nan 0.000 0.455 271 Q N 3.893 123.852 119.800 0.264 0.000 2.390 271 Q HA 0.329 4.669 4.340 -0.000 0.000 0.249 271 Q C -0.839 175.250 176.000 0.149 0.000 0.996 271 Q CA -0.839 55.060 55.803 0.160 0.000 0.899 271 Q CB 0.577 29.381 28.738 0.110 0.000 1.216 271 Q HN 0.592 nan 8.270 nan 0.000 0.465 272 M N 4.508 124.173 119.600 0.108 0.000 2.226 272 M HA 0.138 4.618 4.480 -0.000 0.000 0.324 272 M C -1.631 174.674 176.300 0.008 0.000 1.112 272 M CA -2.321 53.002 55.300 0.039 0.000 1.176 272 M CB -0.546 32.064 32.600 0.017 0.000 1.430 272 M HN 0.401 nan 8.290 nan 0.000 0.462 273 P HA -0.180 nan 4.420 nan 0.000 0.216 273 P C 0.569 177.858 177.300 -0.019 0.000 1.153 273 P CA 1.423 64.503 63.100 -0.033 0.000 0.858 273 P CB -0.052 31.609 31.700 -0.065 0.000 0.789 274 D N -1.786 118.602 120.400 -0.020 0.000 2.371 274 D HA 0.004 4.644 4.640 -0.000 0.000 0.234 274 D C 1.468 177.768 176.300 0.001 0.000 1.049 274 D CA 0.928 54.921 54.000 -0.012 0.000 0.907 274 D CB -0.867 39.924 40.800 -0.015 0.000 0.891 274 D HN 0.286 nan 8.370 nan 0.000 0.531 275 G N 0.344 109.150 108.800 0.009 0.000 2.268 275 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.240 275 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.240 275 G C 0.538 175.454 174.900 0.026 0.000 1.010 275 G CA 0.547 45.658 45.100 0.019 0.000 0.618 275 G HN 0.857 nan 8.290 nan 0.000 0.516 276 S N 0.110 115.822 115.700 0.021 0.000 2.596 276 S HA 0.644 5.113 4.470 -0.000 0.000 0.260 276 S C 0.257 174.883 174.600 0.042 0.000 1.336 276 S CA 0.057 58.272 58.200 0.026 0.000 0.993 276 S CB 1.232 64.442 63.200 0.018 0.000 0.923 276 S HN 0.766 nan 8.310 nan 0.000 0.567 277 I N 0.752 121.346 120.570 0.040 0.000 2.465 277 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 277 I C 0.207 176.355 176.117 0.052 0.000 1.014 277 I CA -0.558 60.775 61.300 0.056 0.000 1.093 277 I CB 1.933 39.952 38.000 0.033 0.000 1.267 277 I HN 0.653 nan 8.210 nan 0.000 0.431 278 R N 4.377 124.947 120.500 0.117 0.000 2.338 278 R HA 0.693 5.033 4.340 -0.000 0.000 0.317 278 R C 0.161 176.536 176.300 0.126 0.000 0.968 278 R CA 0.341 56.520 56.100 0.131 0.000 0.849 278 R CB 1.476 31.905 30.300 0.214 0.000 1.128 278 R HN 0.937 nan 8.270 nan 0.000 0.448 279 G N 2.872 111.674 108.800 0.003 0.000 2.466 279 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 279 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 279 G C -1.223 173.446 174.900 -0.386 0.000 1.237 279 G CA -0.171 44.908 45.100 -0.035 0.000 0.954 279 G HN 0.616 nan 8.290 nan 0.000 0.580 280 D N 1.717 122.028 120.400 -0.148 0.000 2.393 280 D HA 0.522 5.162 4.640 -0.000 0.000 0.232 280 D C -0.839 175.417 176.300 -0.075 0.000 1.192 280 D CA -1.904 52.002 54.000 -0.156 0.000 0.882 280 D CB 1.209 42.219 40.800 0.350 0.000 1.038 280 D HN -0.005 nan 8.370 nan 0.000 0.499 281 P HA -0.145 nan 4.420 nan 0.000 0.217 281 P C 0.947 178.265 177.300 0.030 0.000 1.148 281 P CA 1.187 64.266 63.100 -0.034 0.000 0.828 281 P CB 0.255 31.932 31.700 -0.039 0.000 0.783 282 A N -1.027 121.830 122.820 0.062 0.000 2.067 282 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 282 A C 2.012 179.665 177.584 0.115 0.000 1.158 282 A CA 1.253 53.350 52.037 0.100 0.000 0.661 282 A CB -1.277 17.801 19.000 0.130 0.000 0.801 282 A HN 0.224 nan 8.150 nan 0.000 0.452 283 N N -0.177 118.586 118.700 0.105 0.000 2.251 283 N HA 0.115 4.855 4.740 -0.000 0.000 0.217 283 N C 0.977 176.534 175.510 0.079 0.000 1.124 283 N CA 0.118 53.236 53.050 0.113 0.000 0.843 283 N CB 0.287 38.842 38.487 0.114 0.000 1.024 283 N HN 0.200 nan 8.380 nan 0.000 0.501 284 V N 0.985 120.929 119.914 0.050 0.000 2.261 284 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 284 V C 2.324 178.427 176.094 0.017 0.000 1.047 284 V CA 1.774 64.087 62.300 0.021 0.000 1.015 284 V CB -0.496 31.349 31.823 0.038 0.000 0.642 284 V HN 0.427 nan 8.190 nan 0.000 0.446 285 E N -0.476 119.748 120.200 0.041 0.000 2.058 285 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 285 E C 2.112 178.630 176.600 -0.137 0.000 0.997 285 E CA 1.850 58.245 56.400 -0.007 0.000 0.801 285 E CB -0.230 29.514 29.700 0.073 0.000 0.746 285 E HN 0.549 nan 8.360 nan 0.000 0.450 286 F N 1.466 121.277 119.950 -0.232 0.000 2.134 286 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 286 F C 2.577 178.221 175.800 -0.259 0.000 1.097 286 F CA 2.212 59.996 58.000 -0.360 0.000 1.264 286 F CB -0.682 38.191 39.000 -0.212 0.000 1.001 286 F HN 0.124 nan 8.300 nan 0.000 0.479 287 T N -2.242 112.221 114.554 -0.152 0.000 2.746 287 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 287 T C 1.948 176.542 174.700 -0.176 0.000 1.039 287 T CA 1.194 63.169 62.100 -0.209 0.000 1.142 287 T CB -0.605 68.172 68.868 -0.150 0.000 0.866 287 T HN 0.232 nan 8.240 nan 0.000 0.444 288 Q N 0.677 120.398 119.800 -0.132 0.000 2.096 288 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 288 Q C 2.301 178.203 176.000 -0.164 0.000 0.982 288 Q CA 1.270 57.022 55.803 -0.085 0.000 0.850 288 Q CB -0.800 27.900 28.738 -0.062 0.000 0.901 288 Q HN 0.561 nan 8.270 nan 0.000 0.422 289 L N 0.033 121.061 121.223 -0.324 0.000 1.994 289 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 289 L C 2.441 179.118 176.870 -0.322 0.000 1.071 289 L CA 1.846 56.466 54.840 -0.368 0.000 0.745 289 L CB -0.974 40.718 42.059 -0.612 0.000 0.892 289 L HN 0.222 nan 8.230 nan 0.000 0.431 290 C N -0.360 118.675 119.300 -0.441 0.000 2.403 290 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 290 C C 2.732 177.718 174.990 -0.006 0.000 1.248 290 C CA 0.997 59.838 59.018 -0.295 0.000 1.762 290 C CB -1.100 26.374 27.740 -0.444 0.000 2.014 290 C HN 0.591 nan 8.230 nan 0.000 0.486 291 I N 1.062 121.660 120.570 0.046 0.000 2.179 291 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 291 I C 2.141 178.256 176.117 -0.004 0.000 1.088 291 I CA 1.597 62.952 61.300 0.093 0.000 1.357 291 I CB -0.619 37.431 38.000 0.084 0.000 1.051 291 I HN 0.312 nan 8.210 nan 0.000 0.409 292 D N 0.925 121.288 120.400 -0.061 0.000 2.182 292 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 292 D C 2.052 178.281 176.300 -0.119 0.000 0.986 292 D CA 1.247 55.189 54.000 -0.097 0.000 0.847 292 D CB -0.207 40.515 40.800 -0.130 0.000 0.942 292 D HN 0.349 nan 8.370 nan 0.000 0.467 293 L N -0.750 120.405 121.223 -0.114 0.000 2.599 293 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 293 L C 1.653 178.478 176.870 -0.074 0.000 1.141 293 L CA 0.450 55.219 54.840 -0.118 0.000 0.877 293 L CB 0.014 41.993 42.059 -0.134 0.000 1.009 293 L HN 0.168 nan 8.230 nan 0.000 0.447 294 G N -1.364 107.412 108.800 -0.039 0.000 2.253 294 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.209 294 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.209 294 G C -0.070 174.843 174.900 0.021 0.000 0.997 294 G CA -0.388 44.694 45.100 -0.029 0.000 0.640 294 G HN 0.265 nan 8.290 nan 0.000 0.496 295 W N 4.220 125.445 121.300 -0.125 0.000 2.264 295 W HA 0.531 5.191 4.660 -0.000 0.000 0.331 295 W C 0.915 177.381 176.519 -0.089 0.000 1.364 295 W CA 0.337 57.618 57.345 -0.106 0.000 1.253 295 W CB 0.522 29.917 29.460 -0.109 0.000 1.215 295 W HN 0.378 nan 8.180 nan 0.000 0.561 296 K N 8.526 128.508 120.400 -0.697 0.000 2.248 296 K HA 0.431 4.751 4.320 -0.000 0.000 0.281 296 K C -2.363 173.540 176.600 -1.162 0.000 1.054 296 K CA -1.631 54.254 56.287 -0.670 0.000 0.903 296 K CB 0.982 33.223 32.500 -0.431 0.000 1.077 296 K HN 0.192 nan 8.250 nan 0.000 0.474 297 P HA -0.036 nan 4.420 nan 0.000 0.265 297 P C -0.657 176.127 177.300 -0.859 0.000 1.193 297 P CA -0.225 62.336 63.100 -0.899 0.000 0.765 297 P CB 0.770 31.872 31.700 -0.996 0.000 0.823 298 K N 1.784 121.826 120.400 -0.597 0.000 2.374 298 K HA 0.043 4.363 4.320 -0.000 0.000 0.196 298 K C 0.156 176.607 176.600 -0.248 0.000 1.023 298 K CA -0.414 55.697 56.287 -0.294 0.000 1.103 298 K CB -0.481 31.984 32.500 -0.058 0.000 0.848 298 K HN 0.387 nan 8.250 nan 0.000 0.528 299 Y N 0.599 120.511 120.300 -0.646 0.000 3.001 299 Y HA -0.222 4.328 4.550 -0.000 0.000 0.207 299 Y C 0.826 176.593 175.900 -0.222 0.000 1.231 299 Y CA 0.796 58.413 58.100 -0.805 0.000 1.024 299 Y CB -1.979 36.159 38.460 -0.536 0.000 1.267 299 Y HN 0.160 nan 8.280 nan 0.000 0.501 300 G N -0.486 108.412 108.800 0.163 0.000 2.533 300 G HA2 0.578 4.538 3.960 -0.000 0.000 0.304 300 G HA3 0.578 4.538 3.960 -0.000 0.000 0.304 300 G C 0.415 175.441 174.900 0.210 0.000 1.263 300 G CA -1.086 44.120 45.100 0.176 0.000 0.964 300 G HN 0.228 nan 8.290 nan 0.000 0.479 301 R N -0.436 120.061 120.500 -0.006 0.000 2.120 301 R HA -0.017 4.323 4.340 -0.000 0.000 0.234 301 R C -0.072 175.923 176.300 -0.509 0.000 1.123 301 R CA 1.149 57.087 56.100 -0.271 0.000 0.975 301 R CB -0.086 29.875 30.300 -0.564 0.000 0.866 301 R HN 0.386 nan 8.270 nan 0.000 0.446 302 F N 1.047 120.964 119.950 -0.055 0.000 2.523 302 F HA 0.264 4.791 4.527 -0.000 0.000 0.322 302 F C -0.896 174.801 175.800 -0.172 0.000 1.361 302 F CA -1.341 56.359 58.000 -0.501 0.000 1.151 302 F CB 0.629 39.200 39.000 -0.715 0.000 1.391 302 F HN -0.290 nan 8.300 nan 0.000 0.566 303 D N 1.319 121.863 120.400 0.239 0.000 2.329 303 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 303 D C -0.049 176.494 176.300 0.405 0.000 1.088 303 D CA -0.174 54.043 54.000 0.362 0.000 0.835 303 D CB 2.347 43.425 40.800 0.462 0.000 1.078 303 D HN -0.042 nan 8.370 nan 0.000 0.495 304 V N 3.128 123.259 119.914 0.362 0.000 2.479 304 V HA 0.053 4.173 4.120 -0.000 0.000 0.281 304 V C 1.045 177.154 176.094 0.025 0.000 1.031 304 V CA -0.604 61.805 62.300 0.183 0.000 1.038 304 V CB 0.690 32.575 31.823 0.102 0.000 0.981 304 V HN 0.380 nan 8.190 nan 0.000 0.478 305 V N 5.343 125.170 119.914 -0.144 0.000 3.237 305 V HA 0.411 4.531 4.120 -0.000 0.000 0.305 305 V C -1.547 174.331 176.094 -0.360 0.000 1.096 305 V CA -1.190 60.845 62.300 -0.442 0.000 1.130 305 V CB 0.227 31.896 31.823 -0.257 0.000 1.048 305 V HN 0.769 nan 8.190 nan 0.000 0.484 306 P HA 0.318 nan 4.420 nan 0.000 0.278 306 P C -1.026 176.222 177.300 -0.087 0.000 1.266 306 P CA -0.677 62.253 63.100 -0.282 0.000 0.807 306 P CB 1.001 32.451 31.700 -0.416 0.000 1.094 307 L N 1.306 122.550 121.223 0.036 0.000 2.281 307 L HA 0.173 4.513 4.340 -0.000 0.000 0.285 307 L C -0.080 176.864 176.870 0.124 0.000 1.074 307 L CA -0.299 54.614 54.840 0.122 0.000 0.817 307 L CB 0.667 42.851 42.059 0.208 0.000 1.168 307 L HN 0.067 nan 8.230 nan 0.000 0.434 308 V N 6.497 126.491 119.914 0.133 0.000 2.304 308 V HA 0.258 4.378 4.120 -0.000 0.000 0.262 308 V C -0.125 175.928 176.094 -0.069 0.000 1.061 308 V CA -0.644 61.655 62.300 -0.002 0.000 0.872 308 V CB 0.794 32.638 31.823 0.035 0.000 1.077 308 V HN 0.358 nan 8.190 nan 0.000 0.480 309 L N 4.482 125.672 121.223 -0.055 0.000 2.282 309 L HA 0.501 4.841 4.340 -0.000 0.000 0.288 309 L C 0.081 176.821 176.870 -0.215 0.000 1.033 309 L CA 0.223 55.010 54.840 -0.087 0.000 0.807 309 L CB 1.372 43.394 42.059 -0.063 0.000 1.209 309 L HN 0.639 nan 8.230 nan 0.000 0.423 310 Q N 2.635 122.311 119.800 -0.207 0.000 2.333 310 Q HA 0.774 5.113 4.340 -0.000 0.000 0.265 310 Q C -1.304 174.495 176.000 -0.336 0.000 0.989 310 Q CA -0.638 55.029 55.803 -0.226 0.000 0.842 310 Q CB 1.738 30.489 28.738 0.022 0.000 1.262 310 Q HN 0.776 nan 8.270 nan 0.000 0.451 311 A N 4.195 126.733 122.820 -0.470 0.000 2.331 311 A HA 0.429 4.749 4.320 -0.000 0.000 0.320 311 A C 0.169 177.201 177.584 -0.921 0.000 1.138 311 A CA -0.442 51.004 52.037 -0.985 0.000 0.790 311 A CB 0.867 19.503 19.000 -0.608 0.000 1.206 311 A HN 1.006 nan 8.150 nan 0.000 0.470 312 N N 0.524 118.344 118.700 -1.467 0.000 2.708 312 N HA -0.236 4.504 4.740 -0.000 0.000 0.251 312 N C 1.067 176.397 175.510 -0.300 0.000 1.123 312 N CA 2.503 55.274 53.050 -0.464 0.000 0.739 312 N CB -0.927 37.458 38.487 -0.170 0.000 1.113 312 N HN 2.174 nan 8.380 nan 0.000 0.561 313 G N -1.038 107.611 108.800 -0.252 0.000 2.205 313 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.261 313 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.261 313 G C 0.385 175.261 174.900 -0.040 0.000 0.980 313 G CA 0.739 45.777 45.100 -0.104 0.000 0.632 313 G HN 0.588 nan 8.290 nan 0.000 0.533 314 R N 0.725 121.147 120.500 -0.129 0.000 2.863 314 R HA 0.328 4.668 4.340 -0.000 0.000 0.273 314 R C 0.013 176.295 176.300 -0.030 0.000 1.057 314 R CA -0.187 55.876 56.100 -0.063 0.000 1.191 314 R CB 0.137 30.372 30.300 -0.109 0.000 1.104 314 R HN 0.225 nan 8.270 nan 0.000 0.519 315 D N 2.222 122.632 120.400 0.016 0.000 2.423 315 D HA 0.049 4.689 4.640 -0.000 0.000 0.238 315 D C -1.960 174.218 176.300 -0.204 0.000 1.142 315 D CA -0.797 53.168 54.000 -0.057 0.000 0.884 315 D CB 0.290 41.213 40.800 0.205 0.000 1.199 315 D HN 0.248 nan 8.370 nan 0.000 0.438 316 P HA 0.190 nan 4.420 nan 0.000 0.274 316 P C -0.777 176.376 177.300 -0.245 0.000 1.246 316 P CA -0.328 62.489 63.100 -0.471 0.000 0.795 316 P CB 1.187 32.261 31.700 -1.044 0.000 1.006 317 E N 0.458 120.566 120.200 -0.152 0.000 2.293 317 E HA 0.412 4.762 4.350 -0.000 0.000 0.270 317 E C -0.605 175.907 176.600 -0.147 0.000 0.879 317 E CA -0.897 55.416 56.400 -0.144 0.000 0.756 317 E CB 1.785 31.425 29.700 -0.100 0.000 1.208 317 E HN 0.359 nan 8.360 nan 0.000 0.428 318 L N 2.396 123.426 121.223 -0.322 0.000 2.371 318 L HA 0.451 4.791 4.340 -0.000 0.000 0.272 318 L C -0.675 175.846 176.870 -0.582 0.000 1.124 318 L CA -0.174 54.505 54.840 -0.269 0.000 0.816 318 L CB 0.154 42.097 42.059 -0.193 0.000 1.129 318 L HN 0.450 nan 8.230 nan 0.000 0.448 319 F N 0.609 120.398 119.950 -0.268 0.000 2.671 319 F HA 0.276 4.803 4.527 -0.000 0.000 0.332 319 F C 0.184 175.808 175.800 -0.294 0.000 1.189 319 F CA -0.662 57.033 58.000 -0.510 0.000 0.988 319 F CB 1.385 39.774 39.000 -1.018 0.000 1.258 319 F HN 0.424 nan 8.300 nan 0.000 0.471 320 E N 3.894 124.067 120.200 -0.044 0.000 2.344 320 E HA 0.272 4.622 4.350 -0.000 0.000 0.270 320 E C -0.152 176.591 176.600 0.239 0.000 1.021 320 E CA -0.185 56.275 56.400 0.100 0.000 0.887 320 E CB 1.254 31.033 29.700 0.131 0.000 0.997 320 E HN 0.496 nan 8.360 nan 0.000 0.429 321 I N 5.507 126.230 120.570 0.255 0.000 2.471 321 I HA 0.070 4.240 4.170 -0.000 0.000 0.286 321 I C -1.999 174.237 176.117 0.198 0.000 1.079 321 I CA -1.942 59.531 61.300 0.288 0.000 1.398 321 I CB 0.282 38.370 38.000 0.146 0.000 1.403 321 I HN 0.175 nan 8.210 nan 0.000 0.530 322 P HA 0.012 nan 4.420 nan 0.000 0.261 322 P C -1.753 175.599 177.300 0.087 0.000 1.203 322 P CA -0.859 62.319 63.100 0.132 0.000 0.767 322 P CB 0.044 31.807 31.700 0.105 0.000 0.785 323 P HA -0.243 nan 4.420 nan 0.000 0.219 323 P C 0.606 177.937 177.300 0.051 0.000 1.144 323 P CA 1.471 64.614 63.100 0.072 0.000 0.806 323 P CB 0.133 31.881 31.700 0.080 0.000 0.771 324 D N 0.120 120.547 120.400 0.045 0.000 2.178 324 D HA -0.082 4.558 4.640 -0.000 0.000 0.201 324 D C 2.008 178.321 176.300 0.022 0.000 0.980 324 D CA 0.926 54.945 54.000 0.031 0.000 0.842 324 D CB -0.170 40.647 40.800 0.028 0.000 0.948 324 D HN 0.313 nan 8.370 nan 0.000 0.472 325 L N 0.946 122.181 121.223 0.020 0.000 2.492 325 L HA 0.018 4.358 4.340 -0.000 0.000 0.223 325 L C 0.639 177.512 176.870 0.005 0.000 1.132 325 L CA 0.115 54.959 54.840 0.006 0.000 0.850 325 L CB 0.326 42.379 42.059 -0.010 0.000 0.966 325 L HN -0.203 nan 8.230 nan 0.000 0.454 326 V N 2.255 122.179 119.914 0.015 0.000 2.322 326 V HA 0.122 4.242 4.120 -0.000 0.000 0.258 326 V C -0.002 176.109 176.094 0.029 0.000 1.074 326 V CA -0.433 61.875 62.300 0.013 0.000 0.909 326 V CB 1.063 32.898 31.823 0.019 0.000 1.090 326 V HN 0.057 nan 8.190 nan 0.000 0.486 327 L N 5.919 127.160 121.223 0.030 0.000 2.281 327 L HA 0.497 4.837 4.340 -0.000 0.000 0.285 327 L C 0.127 177.017 176.870 0.033 0.000 1.074 327 L CA 0.658 55.511 54.840 0.021 0.000 0.817 327 L CB 0.514 42.581 42.059 0.012 0.000 1.168 327 L HN 0.638 nan 8.230 nan 0.000 0.434 328 E N 3.219 123.422 120.200 0.006 0.000 2.281 328 E HA 0.668 5.018 4.350 -0.000 0.000 0.262 328 E C -1.413 175.126 176.600 -0.102 0.000 0.933 328 E CA -1.078 55.322 56.400 0.001 0.000 0.809 328 E CB 2.459 32.184 29.700 0.042 0.000 1.242 328 E HN 0.389 nan 8.360 nan 0.000 0.418 329 V N 1.394 121.229 119.914 -0.133 0.000 2.483 329 V HA 0.449 4.569 4.120 -0.000 0.000 0.297 329 V C -0.472 175.571 176.094 -0.086 0.000 1.027 329 V CA -0.830 61.330 62.300 -0.232 0.000 0.855 329 V CB 1.456 32.911 31.823 -0.614 0.000 0.995 329 V HN 0.788 nan 8.190 nan 0.000 0.424 330 A N 6.916 129.693 122.820 -0.072 0.000 2.409 330 A HA 0.675 4.995 4.320 -0.000 0.000 0.262 330 A C 0.091 177.694 177.584 0.031 0.000 1.113 330 A CA -0.332 51.697 52.037 -0.014 0.000 0.790 330 A CB 0.180 19.174 19.000 -0.009 0.000 1.046 330 A HN 0.702 nan 8.150 nan 0.000 0.496 331 M N 2.821 122.485 119.600 0.107 0.000 2.162 331 M HA 0.303 4.783 4.480 -0.000 0.000 0.356 331 M C 0.159 176.581 176.300 0.203 0.000 1.303 331 M CA 0.377 55.783 55.300 0.177 0.000 1.116 331 M CB -0.042 32.750 32.600 0.321 0.000 1.632 331 M HN 0.860 nan 8.290 nan 0.000 0.469 332 E N 1.692 121.934 120.200 0.070 0.000 2.335 332 E HA 0.343 4.693 4.350 -0.000 0.000 0.280 332 E C -1.342 175.192 176.600 -0.110 0.000 0.918 332 E CA -0.850 55.591 56.400 0.069 0.000 0.765 332 E CB 1.758 31.520 29.700 0.103 0.000 1.218 332 E HN 0.630 nan 8.360 nan 0.000 0.425 333 H N 3.850 122.701 119.070 -0.364 0.000 2.502 333 H HA 0.192 4.748 4.556 -0.000 0.000 0.327 333 H C -1.594 173.505 175.328 -0.381 0.000 1.099 333 H CA -1.970 53.775 56.048 -0.505 0.000 1.323 333 H CB 1.724 31.095 29.762 -0.652 0.000 1.450 333 H HN 0.475 nan 8.280 nan 0.000 0.502 334 P HA -0.141 nan 4.420 nan 0.000 0.215 334 P C 0.657 177.789 177.300 -0.280 0.000 1.153 334 P CA 1.494 64.157 63.100 -0.728 0.000 0.853 334 P CB 0.731 31.820 31.700 -1.018 0.000 0.788 335 K N -1.550 118.788 120.400 -0.104 0.000 2.121 335 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 335 K C 0.583 177.234 176.600 0.085 0.000 1.041 335 K CA 0.480 56.753 56.287 -0.022 0.000 0.969 335 K CB -0.216 32.216 32.500 -0.114 0.000 0.799 335 K HN 0.070 nan 8.250 nan 0.000 0.456 336 Y N 3.068 123.299 120.300 -0.115 0.000 2.624 336 Y HA 0.066 4.615 4.550 -0.000 0.000 0.354 336 Y C 1.022 176.639 175.900 -0.471 0.000 1.051 336 Y CA -0.653 57.097 58.100 -0.584 0.000 1.377 336 Y CB -0.307 37.341 38.460 -1.354 0.000 1.168 336 Y HN 0.155 nan 8.280 nan 0.000 0.525 337 E N 3.090 123.243 120.200 -0.077 0.000 2.274 337 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 337 E C 1.463 178.113 176.600 0.083 0.000 0.996 337 E CA 0.903 57.318 56.400 0.026 0.000 0.840 337 E CB -0.084 29.666 29.700 0.084 0.000 0.772 337 E HN 0.879 nan 8.360 nan 0.000 0.491 338 W N -0.101 121.299 121.300 0.165 0.000 2.611 338 W HA -0.072 4.588 4.660 -0.000 0.000 0.251 338 W C 1.307 177.893 176.519 0.111 0.000 1.265 338 W CA -0.169 57.232 57.345 0.093 0.000 1.295 338 W CB -0.791 28.678 29.460 0.015 0.000 1.129 338 W HN -0.051 nan 8.180 nan 0.000 0.630 339 F N 2.760 122.612 119.950 -0.164 0.000 2.161 339 F HA -0.140 4.387 4.527 -0.000 0.000 0.300 339 F C 2.687 178.540 175.800 0.090 0.000 1.089 339 F CA 2.034 59.989 58.000 -0.076 0.000 1.282 339 F CB -0.345 38.503 39.000 -0.252 0.000 1.010 339 F HN -0.252 nan 8.300 nan 0.000 0.485 340 R N 0.103 120.774 120.500 0.284 0.000 2.127 340 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 340 R C 1.947 178.341 176.300 0.157 0.000 1.134 340 R CA 1.680 57.907 56.100 0.211 0.000 0.975 340 R CB -0.573 29.820 30.300 0.154 0.000 0.865 340 R HN 0.422 nan 8.270 nan 0.000 0.447 341 E N 0.757 121.054 120.200 0.161 0.000 2.204 341 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 341 E C 1.854 178.501 176.600 0.078 0.000 0.990 341 E CA 0.768 57.242 56.400 0.123 0.000 0.821 341 E CB -0.069 29.717 29.700 0.145 0.000 0.750 341 E HN 0.347 nan 8.360 nan 0.000 0.477 342 L N 0.632 121.880 121.223 0.041 0.000 2.275 342 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 342 L C 0.293 177.189 176.870 0.043 0.000 1.119 342 L CA 0.596 55.420 54.840 -0.026 0.000 0.790 342 L CB -0.469 41.463 42.059 -0.213 0.000 0.919 342 L HN 0.120 nan 8.230 nan 0.000 0.443 343 E N 0.794 121.046 120.200 0.087 0.000 2.246 343 E HA -0.196 4.154 4.350 -0.000 0.000 0.211 343 E C -0.640 176.067 176.600 0.178 0.000 1.278 343 E CA 0.020 56.498 56.400 0.130 0.000 0.694 343 E CB -1.510 28.273 29.700 0.138 0.000 1.166 343 E HN 0.401 nan 8.360 nan 0.000 0.370 344 L N 0.709 122.000 121.223 0.113 0.000 2.334 344 L HA 0.673 5.013 4.340 -0.000 0.000 0.270 344 L C 0.445 177.273 176.870 -0.071 0.000 1.018 344 L CA -0.554 54.310 54.840 0.041 0.000 0.811 344 L CB 1.453 43.455 42.059 -0.095 0.000 1.271 344 L HN 0.207 nan 8.230 nan 0.000 0.443 345 K N -0.168 120.045 120.400 -0.312 0.000 2.617 345 K HA 0.523 4.843 4.320 -0.000 0.000 0.293 345 K C -2.066 174.576 176.600 0.072 0.000 1.034 345 K CA -1.067 55.120 56.287 -0.166 0.000 0.884 345 K CB 2.204 34.515 32.500 -0.316 0.000 1.541 345 K HN 0.592 nan 8.250 nan 0.000 0.409 346 W N 1.605 122.878 121.300 -0.045 0.000 3.275 346 W HA 0.287 4.947 4.660 -0.000 0.000 0.306 346 W C -1.383 175.175 176.519 0.066 0.000 1.259 346 W CA -0.772 56.593 57.345 0.033 0.000 1.194 346 W CB 1.384 30.748 29.460 -0.160 0.000 1.375 346 W HN 0.687 nan 8.180 nan 0.000 0.564 347 Y N 1.310 121.396 120.300 -0.356 0.000 2.397 347 Y HA 0.481 5.030 4.550 -0.000 0.000 0.335 347 Y C 0.812 176.872 175.900 0.268 0.000 1.213 347 Y CA 0.315 58.341 58.100 -0.124 0.000 1.391 347 Y CB 0.149 38.408 38.460 -0.334 0.000 1.293 347 Y HN 0.338 nan 8.280 nan 0.000 0.557 348 A N 2.469 125.518 122.820 0.382 0.000 2.132 348 A HA 0.136 4.456 4.320 -0.000 0.000 0.213 348 A C 0.370 178.252 177.584 0.497 0.000 1.154 348 A CA 0.133 52.459 52.037 0.482 0.000 0.753 348 A CB -0.184 18.954 19.000 0.229 0.000 0.826 348 A HN 0.650 nan 8.150 nan 0.000 0.469 349 L N 2.116 123.576 121.223 0.394 0.000 2.264 349 L HA 0.395 4.735 4.340 -0.000 0.000 0.287 349 L C -2.514 174.436 176.870 0.132 0.000 1.039 349 L CA -2.164 52.801 54.840 0.208 0.000 0.829 349 L CB 1.589 43.701 42.059 0.089 0.000 1.211 349 L HN -0.018 nan 8.230 nan 0.000 0.427 350 P HA 0.362 nan 4.420 nan 0.000 0.291 350 P C -1.429 175.714 177.300 -0.260 0.000 1.340 350 P CA -0.334 62.545 63.100 -0.367 0.000 0.799 350 P CB 1.406 32.518 31.700 -0.980 0.000 0.917 351 A N 4.265 126.948 122.820 -0.229 0.000 2.385 351 A HA 0.456 4.776 4.320 -0.000 0.000 0.290 351 A C -0.502 176.829 177.584 -0.421 0.000 1.094 351 A CA -0.650 51.183 52.037 -0.341 0.000 0.729 351 A CB 1.193 19.997 19.000 -0.325 0.000 1.194 351 A HN 0.282 nan 8.150 nan 0.000 0.442 352 V N 2.512 122.012 119.914 -0.691 0.000 2.455 352 V HA 0.433 4.553 4.120 -0.000 0.000 0.273 352 V C 1.154 176.799 176.094 -0.748 0.000 1.045 352 V CA 0.817 62.670 62.300 -0.745 0.000 0.976 352 V CB 0.756 31.982 31.823 -0.994 0.000 0.993 352 V HN 1.120 nan 8.190 nan 0.000 0.475 353 A N 4.348 126.946 122.820 -0.371 0.000 2.013 353 A HA 0.059 4.379 4.320 -0.000 0.000 0.204 353 A C 1.643 179.195 177.584 -0.054 0.000 1.262 353 A CA 0.578 52.503 52.037 -0.186 0.000 0.800 353 A CB -0.347 18.600 19.000 -0.088 0.000 0.909 353 A HN 0.915 nan 8.150 nan 0.000 0.472 354 N N -0.797 117.874 118.700 -0.049 0.000 2.626 354 N HA 0.049 4.789 4.740 -0.000 0.000 0.193 354 N C 0.455 175.993 175.510 0.047 0.000 1.213 354 N CA 0.194 53.255 53.050 0.018 0.000 0.914 354 N CB -0.261 38.231 38.487 0.009 0.000 0.994 354 N HN 0.426 nan 8.380 nan 0.000 0.447 355 M N 0.743 120.376 119.600 0.055 0.000 2.471 355 M HA 0.345 4.825 4.480 -0.000 0.000 0.309 355 M C -0.613 175.818 176.300 0.219 0.000 1.186 355 M CA -1.019 54.359 55.300 0.130 0.000 1.008 355 M CB 2.166 34.847 32.600 0.134 0.000 1.551 355 M HN 0.121 nan 8.290 nan 0.000 0.477 356 L N 2.325 123.694 121.223 0.244 0.000 2.329 356 L HA 0.596 4.936 4.340 -0.000 0.000 0.279 356 L C -1.546 175.520 176.870 0.327 0.000 1.014 356 L CA -0.979 54.026 54.840 0.276 0.000 0.814 356 L CB 1.459 43.651 42.059 0.222 0.000 1.257 356 L HN 0.591 nan 8.230 nan 0.000 0.424 357 L N 4.769 126.175 121.223 0.303 0.000 2.282 357 L HA 0.476 4.816 4.340 -0.000 0.000 0.288 357 L C -0.534 176.461 176.870 0.208 0.000 1.033 357 L CA 0.216 55.142 54.840 0.143 0.000 0.807 357 L CB 1.230 43.293 42.059 0.006 0.000 1.209 357 L HN 0.639 nan 8.230 nan 0.000 0.423 358 E N 4.974 125.273 120.200 0.165 0.000 2.133 358 E HA 0.429 4.779 4.350 -0.000 0.000 0.274 358 E C -1.860 174.786 176.600 0.076 0.000 0.930 358 E CA -0.441 56.077 56.400 0.195 0.000 0.770 358 E CB 1.566 31.477 29.700 0.351 0.000 1.104 358 E HN 0.495 nan 8.360 nan 0.000 0.403 359 V N 3.265 123.200 119.914 0.035 0.000 2.447 359 V HA 0.340 4.460 4.120 -0.000 0.000 0.292 359 V C 0.722 176.730 176.094 -0.144 0.000 1.021 359 V CA -0.315 61.904 62.300 -0.136 0.000 0.850 359 V CB 1.381 33.018 31.823 -0.310 0.000 1.005 359 V HN 0.890 nan 8.190 nan 0.000 0.426 360 G N 3.529 112.318 108.800 -0.017 0.000 2.421 360 G HA2 0.069 4.029 3.960 -0.000 0.000 0.300 360 G HA3 0.069 4.029 3.960 -0.000 0.000 0.300 360 G C 1.277 176.277 174.900 0.166 0.000 0.974 360 G CA 1.181 46.371 45.100 0.150 0.000 1.062 360 G HN 2.269 nan 8.290 nan 0.000 0.514 361 G N -1.729 107.133 108.800 0.103 0.000 2.284 361 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.230 361 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.230 361 G C 0.630 175.544 174.900 0.022 0.000 1.021 361 G CA 0.330 45.480 45.100 0.082 0.000 0.619 361 G HN 1.233 nan 8.290 nan 0.000 0.510 362 L N 1.017 122.228 121.223 -0.020 0.000 2.436 362 L HA 0.586 4.926 4.340 -0.000 0.000 0.265 362 L C 0.459 177.281 176.870 -0.079 0.000 1.168 362 L CA -0.055 54.701 54.840 -0.140 0.000 0.815 362 L CB 0.779 42.699 42.059 -0.233 0.000 1.109 362 L HN 0.269 nan 8.230 nan 0.000 0.462 363 E N 1.750 121.815 120.200 -0.225 0.000 2.272 363 E HA 0.443 4.793 4.350 -0.000 0.000 0.269 363 E C -1.630 174.808 176.600 -0.269 0.000 0.877 363 E CA -0.497 55.845 56.400 -0.096 0.000 0.755 363 E CB 2.180 31.835 29.700 -0.076 0.000 1.192 363 E HN 0.239 nan 8.360 nan 0.000 0.422 364 F N 3.154 123.118 119.950 0.023 0.000 2.532 364 F HA 0.261 4.788 4.527 -0.000 0.000 0.365 364 F C -1.635 174.237 175.800 0.119 0.000 1.112 364 F CA -2.011 56.026 58.000 0.062 0.000 1.082 364 F CB 1.505 40.531 39.000 0.043 0.000 1.319 364 F HN 0.320 nan 8.300 nan 0.000 0.457 365 P HA -0.020 nan 4.420 nan 0.000 0.226 365 P C 0.626 178.093 177.300 0.278 0.000 1.153 365 P CA 0.734 63.965 63.100 0.217 0.000 0.777 365 P CB 0.553 32.345 31.700 0.152 0.000 0.794 366 G N 0.429 109.455 108.800 0.377 0.000 2.603 366 G HA2 0.448 4.408 3.960 -0.000 0.000 0.324 366 G HA3 0.448 4.408 3.960 -0.000 0.000 0.324 366 G C -0.470 174.688 174.900 0.430 0.000 1.178 366 G CA -0.359 45.031 45.100 0.483 0.000 1.023 366 G HN 0.299 nan 8.290 nan 0.000 0.482 367 C N 1.230 120.709 119.300 0.298 0.000 3.354 367 C HA 0.459 4.919 4.460 -0.000 0.000 0.314 367 C C -3.052 172.057 174.990 0.198 0.000 1.019 367 C CA -2.137 56.991 59.018 0.183 0.000 1.293 367 C CB 0.552 28.417 27.740 0.209 0.000 1.747 367 C HN 0.428 nan 8.230 nan 0.000 0.580 368 P HA 0.538 nan 4.420 nan 0.000 0.276 368 P C -0.529 176.833 177.300 0.103 0.000 1.230 368 P CA 0.362 63.444 63.100 -0.029 0.000 0.776 368 P CB 0.300 31.987 31.700 -0.022 0.000 0.888 369 F N 0.536 120.416 119.950 -0.117 0.000 2.599 369 F HA 0.709 5.236 4.527 -0.000 0.000 0.311 369 F C -0.652 175.013 175.800 -0.224 0.000 1.076 369 F CA -1.042 56.863 58.000 -0.158 0.000 0.937 369 F CB 1.740 40.499 39.000 -0.402 0.000 1.282 369 F HN 0.230 nan 8.300 nan 0.000 0.460 370 N N 0.304 118.999 118.700 -0.008 0.000 2.525 370 N HA 0.792 5.532 4.740 -0.000 0.000 0.270 370 N C -1.218 174.187 175.510 -0.174 0.000 1.321 370 N CA -0.447 52.525 53.050 -0.130 0.000 0.797 370 N CB 2.100 40.542 38.487 -0.074 0.000 1.529 370 N HN 1.074 nan 8.380 nan 0.000 0.491 371 G N -0.928 107.736 108.800 -0.226 0.000 3.085 371 G HA2 0.645 4.605 3.960 -0.000 0.000 0.264 371 G HA3 0.645 4.605 3.960 -0.000 0.000 0.264 371 G C -1.881 172.947 174.900 -0.120 0.000 1.206 371 G CA -0.797 44.115 45.100 -0.313 0.000 0.809 371 G HN 0.697 nan 8.290 nan 0.000 0.592 372 W N -1.380 119.896 121.300 -0.040 0.000 2.719 372 W HA 0.825 5.485 4.660 -0.000 0.000 0.352 372 W C -1.283 175.202 176.519 -0.056 0.000 1.085 372 W CA -2.147 55.186 57.345 -0.020 0.000 1.187 372 W CB 0.401 29.892 29.460 0.051 0.000 1.417 372 W HN 0.416 nan 8.180 nan 0.000 0.557 373 Y N 2.305 122.770 120.300 0.276 0.000 2.357 373 Y HA 0.241 4.791 4.550 -0.000 0.000 0.340 373 Y C 0.667 176.597 175.900 0.050 0.000 1.260 373 Y CA -0.622 57.516 58.100 0.063 0.000 1.425 373 Y CB 1.011 39.417 38.460 -0.091 0.000 1.326 373 Y HN 0.459 nan 8.280 nan 0.000 0.580 374 M N 2.148 121.881 119.600 0.221 0.000 2.243 374 M HA 0.380 4.860 4.480 -0.000 0.000 0.324 374 M C 1.045 177.307 176.300 -0.064 0.000 1.031 374 M CA -0.186 55.163 55.300 0.082 0.000 0.949 374 M CB 1.406 34.046 32.600 0.066 0.000 1.615 374 M HN 0.822 nan 8.290 nan 0.000 0.430 375 G N 2.134 110.866 108.800 -0.113 0.000 2.783 375 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.225 375 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.225 375 G C 1.153 175.906 174.900 -0.244 0.000 1.191 375 G CA 2.371 47.356 45.100 -0.191 0.000 0.774 375 G HN 0.917 nan 8.290 nan 0.000 0.632 376 T N -0.758 113.678 114.554 -0.195 0.000 2.737 376 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 376 T C 1.972 176.491 174.700 -0.301 0.000 1.040 376 T CA 1.968 63.900 62.100 -0.280 0.000 1.142 376 T CB -0.530 68.124 68.868 -0.356 0.000 0.861 376 T HN 0.598 nan 8.240 nan 0.000 0.456 377 E N 0.870 120.914 120.200 -0.260 0.000 2.086 377 E HA -0.122 4.228 4.350 -0.000 0.000 0.200 377 E C 2.195 178.493 176.600 -0.503 0.000 1.012 377 E CA 1.768 58.014 56.400 -0.257 0.000 0.812 377 E CB -0.354 29.326 29.700 -0.034 0.000 0.743 377 E HN 0.627 nan 8.360 nan 0.000 0.453 378 I N 0.055 120.171 120.570 -0.758 0.000 2.364 378 I HA -0.059 4.111 4.170 -0.000 0.000 0.241 378 I C 2.628 178.131 176.117 -1.023 0.000 1.082 378 I CA 0.796 61.353 61.300 -1.238 0.000 1.401 378 I CB -0.683 36.456 38.000 -1.436 0.000 1.126 378 I HN 0.117 nan 8.210 nan 0.000 0.429 379 G N 1.066 109.502 108.800 -0.607 0.000 2.514 379 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 379 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 379 G C 1.643 176.460 174.900 -0.139 0.000 1.198 379 G CA 1.400 46.348 45.100 -0.253 0.000 0.780 379 G HN 0.218 nan 8.290 nan 0.000 0.565 380 V N 0.565 120.359 119.914 -0.200 0.000 2.273 380 V HA -0.015 4.105 4.120 -0.000 0.000 0.242 380 V C 2.932 178.943 176.094 -0.138 0.000 1.035 380 V CA 1.509 63.721 62.300 -0.146 0.000 1.013 380 V CB -0.438 31.268 31.823 -0.195 0.000 0.652 380 V HN 0.157 nan 8.190 nan 0.000 0.452 381 R N 0.650 121.026 120.500 -0.208 0.000 2.060 381 R HA -0.053 4.287 4.340 -0.000 0.000 0.225 381 R C 2.038 178.255 176.300 -0.138 0.000 1.155 381 R CA 1.570 57.569 56.100 -0.168 0.000 0.930 381 R CB -1.332 28.854 30.300 -0.190 0.000 0.829 381 R HN 0.467 nan 8.270 nan 0.000 0.433 382 D N 0.409 120.618 120.400 -0.318 0.000 2.133 382 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 382 D C 1.865 178.203 176.300 0.063 0.000 0.997 382 D CA 1.211 55.012 54.000 -0.332 0.000 0.840 382 D CB -0.157 39.917 40.800 -1.209 0.000 0.947 382 D HN 0.105 nan 8.370 nan 0.000 0.452 383 F N 0.072 119.950 119.950 -0.120 0.000 2.387 383 F HA 0.050 4.576 4.527 -0.000 0.000 0.294 383 F C 2.417 178.265 175.800 0.081 0.000 1.093 383 F CA -0.294 57.724 58.000 0.031 0.000 1.420 383 F CB -0.700 38.298 39.000 -0.003 0.000 1.086 383 F HN 0.040 nan 8.300 nan 0.000 0.531 384 C N -1.244 118.182 119.300 0.210 0.000 2.611 384 C HA 0.148 4.608 4.460 -0.000 0.000 0.282 384 C C 0.438 175.477 174.990 0.082 0.000 1.321 384 C CA -0.602 58.492 59.018 0.128 0.000 1.747 384 C CB -0.577 27.204 27.740 0.068 0.000 2.124 384 C HN 0.099 nan 8.230 nan 0.000 0.531 385 D N 1.305 121.742 120.400 0.062 0.000 2.533 385 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 385 D C 1.156 177.494 176.300 0.064 0.000 1.137 385 D CA 0.341 54.365 54.000 0.040 0.000 0.867 385 D CB 0.869 41.687 40.800 0.031 0.000 1.170 385 D HN -0.000 nan 8.370 nan 0.000 0.474 386 V N 3.060 123.001 119.914 0.045 0.000 2.407 386 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 386 V C 2.325 178.445 176.094 0.044 0.000 1.055 386 V CA 1.719 64.048 62.300 0.049 0.000 1.049 386 V CB -0.593 31.253 31.823 0.038 0.000 0.662 386 V HN 0.675 nan 8.190 nan 0.000 0.455 387 Q N -0.235 119.589 119.800 0.040 0.000 2.482 387 Q HA -0.043 4.297 4.340 -0.000 0.000 0.209 387 Q C 1.232 177.255 176.000 0.038 0.000 0.961 387 Q CA 0.687 56.512 55.803 0.037 0.000 0.945 387 Q CB 0.100 28.862 28.738 0.040 0.000 1.012 387 Q HN 0.471 nan 8.270 nan 0.000 0.515 388 R N -0.271 120.264 120.500 0.058 0.000 2.893 388 R HA 0.250 4.590 4.340 -0.000 0.000 0.159 388 R C 1.587 177.904 176.300 0.027 0.000 1.366 388 R CA -0.505 55.643 56.100 0.080 0.000 0.929 388 R CB -1.162 29.252 30.300 0.190 0.000 1.796 388 R HN 0.050 nan 8.270 nan 0.000 0.464 389 Y N 1.479 121.912 120.300 0.222 0.000 2.421 389 Y HA -0.053 4.497 4.550 -0.000 0.000 0.292 389 Y C 0.581 176.565 175.900 0.140 0.000 1.136 389 Y CA 1.213 59.443 58.100 0.216 0.000 1.255 389 Y CB -0.290 38.376 38.460 0.344 0.000 0.991 389 Y HN 0.545 nan 8.280 nan 0.000 0.552 390 N N 1.061 119.904 118.700 0.238 0.000 2.620 390 N HA -0.220 4.520 4.740 -0.000 0.000 0.293 390 N C 0.341 175.938 175.510 0.145 0.000 1.178 390 N CA 0.380 53.524 53.050 0.158 0.000 0.750 390 N CB -0.731 37.817 38.487 0.101 0.000 0.949 390 N HN 0.628 nan 8.380 nan 0.000 0.555 391 I N -0.784 119.875 120.570 0.149 0.000 4.154 391 I HA 0.093 4.263 4.170 -0.000 0.000 0.334 391 I C 1.618 177.805 176.117 0.118 0.000 1.371 391 I CA -0.553 60.807 61.300 0.099 0.000 1.110 391 I CB 0.044 38.066 38.000 0.036 0.000 1.085 391 I HN 0.268 nan 8.210 nan 0.000 0.398 392 L N 2.277 123.590 121.223 0.150 0.000 1.997 392 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 392 L C 2.542 179.594 176.870 0.303 0.000 1.074 392 L CA 2.512 57.471 54.840 0.197 0.000 0.763 392 L CB -0.655 41.480 42.059 0.127 0.000 0.890 392 L HN 0.490 nan 8.230 nan 0.000 0.434 393 E N -0.274 120.080 120.200 0.258 0.000 2.033 393 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 393 E C 2.080 178.700 176.600 0.032 0.000 1.011 393 E CA 1.845 58.355 56.400 0.183 0.000 0.815 393 E CB -0.353 29.404 29.700 0.095 0.000 0.755 393 E HN 0.549 nan 8.360 nan 0.000 0.451 394 E N -0.152 120.058 120.200 0.016 0.000 2.021 394 E HA -0.207 4.143 4.350 -0.000 0.000 0.200 394 E C 2.170 178.714 176.600 -0.094 0.000 1.015 394 E CA 2.417 58.782 56.400 -0.058 0.000 0.824 394 E CB -0.621 29.051 29.700 -0.047 0.000 0.762 394 E HN 0.281 nan 8.360 nan 0.000 0.454 395 V N -0.729 119.189 119.914 0.007 0.000 2.720 395 V HA -0.046 4.074 4.120 -0.000 0.000 0.256 395 V C 2.039 178.164 176.094 0.051 0.000 1.082 395 V CA 2.185 64.523 62.300 0.064 0.000 1.101 395 V CB -1.126 30.866 31.823 0.282 0.000 0.693 395 V HN 0.332 nan 8.190 nan 0.000 0.479 396 G N 0.614 109.469 108.800 0.091 0.000 2.404 396 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.215 396 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.215 396 G C 1.740 176.517 174.900 -0.204 0.000 1.174 396 G CA 0.813 45.946 45.100 0.055 0.000 0.780 396 G HN 0.549 nan 8.290 nan 0.000 0.537 397 R N -0.018 120.311 120.500 -0.286 0.000 2.066 397 R HA 0.031 4.371 4.340 -0.000 0.000 0.232 397 R C 2.686 178.755 176.300 -0.385 0.000 1.131 397 R CA 0.802 56.706 56.100 -0.327 0.000 0.955 397 R CB -0.346 29.780 30.300 -0.290 0.000 0.851 397 R HN 0.147 nan 8.270 nan 0.000 0.432 398 R N 0.758 120.943 120.500 -0.525 0.000 2.105 398 R HA -0.064 4.276 4.340 -0.000 0.000 0.239 398 R C 2.046 177.817 176.300 -0.882 0.000 1.135 398 R CA 1.331 56.844 56.100 -0.979 0.000 0.967 398 R CB -0.349 28.923 30.300 -1.713 0.000 0.861 398 R HN 0.344 nan 8.270 nan 0.000 0.442 399 M N -0.481 118.855 119.600 -0.441 0.000 2.595 399 M HA 0.089 4.568 4.480 -0.000 0.000 0.248 399 M C 0.651 176.845 176.300 -0.176 0.000 1.119 399 M CA 0.741 55.926 55.300 -0.192 0.000 1.079 399 M CB 0.263 32.894 32.600 0.051 0.000 1.472 399 M HN 0.343 nan 8.290 nan 0.000 0.501 400 G N 2.242 110.905 108.800 -0.228 0.000 2.272 400 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.280 400 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.280 400 G C -0.233 174.592 174.900 -0.124 0.000 1.067 400 G CA -0.107 44.885 45.100 -0.179 0.000 0.902 400 G HN 0.397 nan 8.290 nan 0.000 0.500 401 L N -0.997 120.145 121.223 -0.135 0.000 2.387 401 L HA 0.462 4.802 4.340 -0.000 0.000 0.266 401 L C 1.010 177.751 176.870 -0.213 0.000 1.059 401 L CA -0.969 53.818 54.840 -0.088 0.000 0.801 401 L CB 0.794 42.876 42.059 0.039 0.000 1.223 401 L HN 0.151 nan 8.230 nan 0.000 0.456 402 E N 0.516 120.629 120.200 -0.146 0.000 1.842 402 E HA -0.021 4.329 4.350 -0.000 0.000 0.278 402 E C 0.671 176.952 176.600 -0.531 0.000 1.171 402 E CA -0.044 56.238 56.400 -0.196 0.000 1.127 402 E CB 0.018 29.700 29.700 -0.030 0.000 1.100 402 E HN 0.629 nan 8.360 nan 0.000 0.456 403 T N -2.018 111.962 114.554 -0.957 0.000 3.219 403 T HA -0.133 4.217 4.350 -0.000 0.000 0.264 403 T C 0.902 174.920 174.700 -1.137 0.000 1.178 403 T CA 1.013 62.042 62.100 -1.784 0.000 1.057 403 T CB -0.196 67.728 68.868 -1.572 0.000 0.919 403 T HN 0.454 nan 8.240 nan 0.000 0.545 404 H N -0.487 118.389 119.070 -0.323 0.000 2.788 404 H HA 0.393 4.949 4.556 -0.000 0.000 0.262 404 H C 0.868 176.224 175.328 0.046 0.000 0.968 404 H CA -0.161 55.837 56.048 -0.085 0.000 1.218 404 H CB 0.551 30.261 29.762 -0.087 0.000 1.443 404 H HN 0.224 nan 8.280 nan 0.000 0.478 405 K N 2.142 122.631 120.400 0.148 0.000 2.250 405 K HA 0.101 4.421 4.320 -0.000 0.000 0.280 405 K C 0.478 177.245 176.600 0.280 0.000 1.098 405 K CA -0.122 56.269 56.287 0.173 0.000 0.916 405 K CB 0.437 33.009 32.500 0.120 0.000 1.209 405 K HN 0.253 nan 8.250 nan 0.000 0.461 406 L N 3.112 124.486 121.223 0.253 0.000 2.042 406 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 406 L C 2.104 179.052 176.870 0.129 0.000 1.076 406 L CA 1.498 56.466 54.840 0.214 0.000 0.749 406 L CB -0.313 41.819 42.059 0.121 0.000 0.893 406 L HN 0.779 nan 8.230 nan 0.000 0.432 407 A N -0.432 122.454 122.820 0.109 0.000 2.259 407 A HA -0.151 4.169 4.320 -0.000 0.000 0.212 407 A C 2.332 179.969 177.584 0.089 0.000 1.178 407 A CA 1.430 53.512 52.037 0.075 0.000 0.734 407 A CB -0.509 18.528 19.000 0.063 0.000 0.774 407 A HN 0.561 nan 8.150 nan 0.000 0.481 408 S N -0.746 115.042 115.700 0.146 0.000 2.496 408 S HA 0.137 4.607 4.470 -0.000 0.000 0.224 408 S C 0.893 175.579 174.600 0.144 0.000 0.996 408 S CA 0.587 58.882 58.200 0.158 0.000 0.927 408 S CB -0.651 62.680 63.200 0.218 0.000 0.774 408 S HN 0.833 nan 8.310 nan 0.000 0.524 409 L N 0.679 121.957 121.223 0.092 0.000 4.040 409 L HA -0.177 4.163 4.340 -0.000 0.000 0.410 409 L C 1.656 178.530 176.870 0.007 0.000 1.187 409 L CA 0.756 55.590 54.840 -0.010 0.000 0.956 409 L CB -2.557 39.507 42.059 0.008 0.000 2.022 409 L HN 0.751 nan 8.230 nan 0.000 0.897 410 W N 0.277 121.586 121.300 0.015 0.000 2.358 410 W HA -0.174 4.486 4.660 -0.000 0.000 0.303 410 W C 1.745 178.279 176.519 0.025 0.000 1.208 410 W CA 1.383 58.737 57.345 0.015 0.000 1.274 410 W CB -0.729 28.725 29.460 -0.009 0.000 1.138 410 W HN 0.232 nan 8.180 nan 0.000 0.515 411 K N 1.047 120.804 120.400 -1.072 0.000 2.103 411 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 411 K C 1.525 177.910 176.600 -0.358 0.000 1.048 411 K CA 2.568 58.230 56.287 -1.041 0.000 0.930 411 K CB -0.298 31.539 32.500 -1.105 0.000 0.716 411 K HN 0.146 nan 8.250 nan 0.000 0.444 412 D N 0.065 120.327 120.400 -0.231 0.000 2.103 412 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 412 D C 1.937 178.236 176.300 -0.002 0.000 0.978 412 D CA 0.939 54.882 54.000 -0.095 0.000 0.829 412 D CB 0.029 40.787 40.800 -0.070 0.000 0.981 412 D HN 0.166 nan 8.370 nan 0.000 0.464 413 Q N 0.345 120.174 119.800 0.050 0.000 2.096 413 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 413 Q C 2.270 178.367 176.000 0.161 0.000 0.982 413 Q CA 1.380 57.253 55.803 0.118 0.000 0.850 413 Q CB -0.186 28.645 28.738 0.156 0.000 0.901 413 Q HN 0.296 nan 8.270 nan 0.000 0.422 414 A N 0.243 123.169 122.820 0.178 0.000 1.883 414 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 414 A C 2.257 179.955 177.584 0.190 0.000 1.186 414 A CA 1.586 53.764 52.037 0.235 0.000 0.624 414 A CB -1.023 18.141 19.000 0.273 0.000 0.822 414 A HN 0.305 nan 8.150 nan 0.000 0.444 415 V N -0.229 119.743 119.914 0.096 0.000 2.407 415 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 415 V C 2.446 178.592 176.094 0.088 0.000 1.055 415 V CA 2.283 64.628 62.300 0.074 0.000 1.049 415 V CB -0.368 31.452 31.823 -0.006 0.000 0.662 415 V HN 0.338 nan 8.190 nan 0.000 0.455 416 V N -0.181 119.785 119.914 0.087 0.000 2.295 416 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 416 V C 2.549 178.715 176.094 0.120 0.000 1.049 416 V CA 2.377 64.733 62.300 0.093 0.000 1.024 416 V CB -0.761 31.116 31.823 0.090 0.000 0.648 416 V HN 0.557 nan 8.190 nan 0.000 0.447 417 E N 0.058 120.362 120.200 0.175 0.000 2.110 417 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 417 E C 1.982 178.726 176.600 0.240 0.000 0.988 417 E CA 1.275 57.812 56.400 0.229 0.000 0.804 417 E CB -0.326 29.553 29.700 0.298 0.000 0.745 417 E HN 0.597 nan 8.360 nan 0.000 0.458 418 I N 0.753 121.487 120.570 0.274 0.000 2.286 418 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 418 I C 1.915 178.127 176.117 0.160 0.000 1.115 418 I CA 0.862 62.351 61.300 0.314 0.000 1.392 418 I CB -0.297 37.921 38.000 0.363 0.000 1.065 418 I HN 0.147 nan 8.210 nan 0.000 0.418 419 N N 0.862 119.620 118.700 0.097 0.000 2.331 419 N HA -0.045 4.695 4.740 -0.000 0.000 0.180 419 N C 1.955 177.461 175.510 -0.007 0.000 1.019 419 N CA 1.115 54.181 53.050 0.026 0.000 0.881 419 N CB 0.136 38.629 38.487 0.011 0.000 0.972 419 N HN 0.378 nan 8.380 nan 0.000 0.435 420 I N 1.176 121.735 120.570 -0.018 0.000 2.252 420 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 420 I C 2.429 178.436 176.117 -0.184 0.000 1.102 420 I CA 0.552 61.791 61.300 -0.102 0.000 1.385 420 I CB -0.238 37.670 38.000 -0.154 0.000 1.064 420 I HN 0.032 nan 8.210 nan 0.000 0.414 421 A N 0.594 123.271 122.820 -0.239 0.000 1.908 421 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 421 A C 2.424 179.932 177.584 -0.127 0.000 1.181 421 A CA 1.808 53.630 52.037 -0.357 0.000 0.627 421 A CB -0.966 17.560 19.000 -0.789 0.000 0.818 421 A HN 0.232 nan 8.150 nan 0.000 0.445 422 V N 0.218 120.106 119.914 -0.043 0.000 2.233 422 V HA -0.292 3.827 4.120 -0.000 0.000 0.247 422 V C 2.597 178.708 176.094 0.029 0.000 1.050 422 V CA 2.094 64.409 62.300 0.024 0.000 1.010 422 V CB -0.900 30.877 31.823 -0.077 0.000 0.637 422 V HN 0.579 nan 8.190 nan 0.000 0.444 423 L N -0.474 120.726 121.223 -0.038 0.000 1.989 423 L HA -0.267 4.072 4.340 -0.000 0.000 0.211 423 L C 2.666 179.559 176.870 0.038 0.000 1.071 423 L CA 2.410 57.235 54.840 -0.026 0.000 0.749 423 L CB -0.974 41.066 42.059 -0.032 0.000 0.890 423 L HN 0.499 nan 8.230 nan 0.000 0.431 424 H N -0.030 118.988 119.070 -0.087 0.000 2.319 424 H HA -0.177 4.379 4.556 -0.000 0.000 0.297 424 H C 2.349 177.650 175.328 -0.046 0.000 1.097 424 H CA 2.069 58.053 56.048 -0.107 0.000 1.285 424 H CB -0.125 29.501 29.762 -0.226 0.000 1.368 424 H HN 0.162 nan 8.280 nan 0.000 0.495 425 S N -0.475 115.106 115.700 -0.199 0.000 2.370 425 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 425 S C 1.937 176.466 174.600 -0.117 0.000 1.033 425 S CA 1.297 59.374 58.200 -0.204 0.000 1.011 425 S CB -0.466 62.724 63.200 -0.017 0.000 0.852 425 S HN 0.339 nan 8.310 nan 0.000 0.457 426 F N 1.969 121.829 119.950 -0.150 0.000 2.113 426 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 426 F C 2.647 178.373 175.800 -0.123 0.000 1.103 426 F CA 1.060 58.999 58.000 -0.102 0.000 1.248 426 F CB -0.715 38.247 39.000 -0.062 0.000 0.999 426 F HN 0.203 nan 8.300 nan 0.000 0.475 427 Q N -0.023 119.806 119.800 0.048 0.000 2.061 427 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 427 Q C 2.235 178.176 176.000 -0.099 0.000 0.984 427 Q CA 1.745 57.531 55.803 -0.028 0.000 0.846 427 Q CB -0.372 28.349 28.738 -0.029 0.000 0.902 427 Q HN 0.328 nan 8.270 nan 0.000 0.421 428 K N 0.686 120.960 120.400 -0.210 0.000 2.147 428 K HA -0.160 4.160 4.320 -0.000 0.000 0.205 428 K C 1.396 177.902 176.600 -0.157 0.000 1.049 428 K CA 1.127 57.282 56.287 -0.221 0.000 0.936 428 K CB 0.177 32.436 32.500 -0.402 0.000 0.722 428 K HN 0.241 nan 8.250 nan 0.000 0.446 429 Q N 0.303 120.004 119.800 -0.165 0.000 2.246 429 Q HA 0.089 4.429 4.340 -0.000 0.000 0.202 429 Q C -0.711 175.217 176.000 -0.120 0.000 0.883 429 Q CA -0.229 55.485 55.803 -0.148 0.000 0.952 429 Q CB 0.530 29.149 28.738 -0.197 0.000 1.078 429 Q HN 0.288 nan 8.270 nan 0.000 0.493 430 N N -0.093 118.553 118.700 -0.091 0.000 2.727 430 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 430 N C -1.108 174.367 175.510 -0.057 0.000 1.048 430 N CA 0.604 53.615 53.050 -0.065 0.000 0.714 430 N CB -1.583 36.868 38.487 -0.061 0.000 0.959 430 N HN 0.031 nan 8.380 nan 0.000 0.544 431 V N 0.622 120.511 119.914 -0.042 0.000 2.459 431 V HA 0.272 4.392 4.120 -0.000 0.000 0.295 431 V C 0.865 177.049 176.094 0.151 0.000 1.029 431 V CA -0.651 61.655 62.300 0.011 0.000 0.874 431 V CB 2.095 33.830 31.823 -0.147 0.000 0.985 431 V HN 0.172 nan 8.190 nan 0.000 0.438 432 T N 6.124 120.726 114.554 0.080 0.000 2.829 432 T HA 0.377 4.727 4.350 -0.000 0.000 0.293 432 T C -0.307 174.434 174.700 0.070 0.000 0.970 432 T CA 0.806 62.877 62.100 -0.049 0.000 1.168 432 T CB -0.105 68.618 68.868 -0.242 0.000 0.911 432 T HN 0.468 nan 8.240 nan 0.000 0.535 433 I N 2.941 123.478 120.570 -0.055 0.000 3.006 433 I HA 0.665 4.835 4.170 -0.000 0.000 0.306 433 I C -1.367 174.701 176.117 -0.082 0.000 1.250 433 I CA -1.126 60.121 61.300 -0.088 0.000 0.996 433 I CB 2.294 40.135 38.000 -0.265 0.000 1.261 433 I HN 0.697 nan 8.210 nan 0.000 0.442 434 M N 6.289 125.901 119.600 0.021 0.000 2.213 434 M HA 0.390 4.870 4.480 -0.000 0.000 0.286 434 M C -1.704 174.631 176.300 0.059 0.000 1.008 434 M CA -0.649 54.697 55.300 0.077 0.000 0.937 434 M CB 1.289 34.050 32.600 0.268 0.000 1.600 434 M HN 0.690 nan 8.290 nan 0.000 0.450 435 D N 4.286 124.704 120.400 0.030 0.000 2.372 435 D HA -0.016 4.624 4.640 -0.000 0.000 0.243 435 D C 0.902 177.212 176.300 0.017 0.000 1.121 435 D CA -0.029 53.990 54.000 0.032 0.000 0.898 435 D CB 0.560 41.359 40.800 -0.003 0.000 1.202 435 D HN 0.836 nan 8.370 nan 0.000 0.428 436 H N 1.373 120.399 119.070 -0.073 0.000 2.457 436 H HA -0.178 4.378 4.556 -0.000 0.000 0.297 436 H C 1.120 176.351 175.328 -0.160 0.000 1.092 436 H CA 1.233 57.194 56.048 -0.145 0.000 1.309 436 H CB -0.593 29.023 29.762 -0.243 0.000 1.382 436 H HN 0.557 nan 8.280 nan 0.000 0.535 437 H N 1.062 119.878 119.070 -0.423 0.000 2.326 437 H HA -0.005 4.550 4.556 -0.000 0.000 0.301 437 H C 2.355 177.645 175.328 -0.064 0.000 1.081 437 H CA 1.474 57.383 56.048 -0.231 0.000 1.334 437 H CB 0.108 29.708 29.762 -0.271 0.000 1.385 437 H HN 0.366 nan 8.280 nan 0.000 0.504 438 S N 0.800 116.543 115.700 0.072 0.000 2.382 438 S HA -0.105 4.364 4.470 -0.000 0.000 0.228 438 S C 2.468 177.132 174.600 0.107 0.000 1.027 438 S CA 0.810 59.059 58.200 0.082 0.000 0.991 438 S CB -0.247 62.992 63.200 0.065 0.000 0.823 438 S HN 0.506 nan 8.310 nan 0.000 0.469 439 A N 1.934 124.815 122.820 0.101 0.000 1.865 439 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 439 A C 2.413 180.084 177.584 0.144 0.000 1.191 439 A CA 1.835 53.950 52.037 0.129 0.000 0.623 439 A CB -1.295 17.767 19.000 0.103 0.000 0.826 439 A HN 0.525 nan 8.150 nan 0.000 0.444 440 A N -0.389 122.492 122.820 0.102 0.000 1.883 440 A HA -0.215 4.104 4.320 -0.000 0.000 0.217 440 A C 1.953 179.661 177.584 0.206 0.000 1.186 440 A CA 1.799 53.913 52.037 0.128 0.000 0.624 440 A CB -0.624 18.419 19.000 0.072 0.000 0.822 440 A HN 0.653 nan 8.150 nan 0.000 0.444 441 E N -0.123 120.177 120.200 0.166 0.000 2.077 441 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 441 E C 2.421 179.127 176.600 0.177 0.000 0.989 441 E CA 1.465 57.963 56.400 0.163 0.000 0.800 441 E CB -0.213 29.561 29.700 0.123 0.000 0.746 441 E HN 0.783 nan 8.360 nan 0.000 0.452 442 S N 0.587 116.393 115.700 0.177 0.000 2.382 442 S HA -0.207 4.263 4.470 -0.000 0.000 0.228 442 S C 1.925 176.651 174.600 0.210 0.000 1.027 442 S CA 0.858 59.161 58.200 0.171 0.000 0.991 442 S CB -0.475 62.825 63.200 0.166 0.000 0.823 442 S HN 0.318 nan 8.310 nan 0.000 0.469 443 F N 2.042 122.063 119.950 0.118 0.000 2.134 443 F HA -0.004 4.523 4.527 -0.000 0.000 0.299 443 F C 2.351 178.282 175.800 0.218 0.000 1.097 443 F CA 1.642 59.734 58.000 0.153 0.000 1.264 443 F CB -0.301 38.757 39.000 0.096 0.000 1.001 443 F HN 0.129 nan 8.300 nan 0.000 0.479 444 M N 0.192 119.983 119.600 0.317 0.000 2.106 444 M HA -0.221 4.258 4.480 -0.000 0.000 0.259 444 M C 2.150 178.527 176.300 0.129 0.000 1.068 444 M CA 1.611 57.052 55.300 0.234 0.000 1.100 444 M CB -1.339 31.406 32.600 0.241 0.000 1.351 444 M HN 0.072 nan 8.290 nan 0.000 0.404 445 K N 0.117 120.590 120.400 0.121 0.000 2.002 445 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 445 K C 2.045 178.673 176.600 0.047 0.000 1.048 445 K CA 1.598 57.940 56.287 0.092 0.000 0.930 445 K CB -1.040 31.518 32.500 0.097 0.000 0.714 445 K HN 0.315 nan 8.250 nan 0.000 0.438 446 Y N 0.499 120.729 120.300 -0.117 0.000 2.114 446 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 446 Y C 2.221 177.962 175.900 -0.264 0.000 1.165 446 Y CA 2.570 60.553 58.100 -0.194 0.000 1.148 446 Y CB -0.363 37.919 38.460 -0.296 0.000 0.972 446 Y HN 0.185 nan 8.280 nan 0.000 0.504 447 M N 0.173 119.493 119.600 -0.467 0.000 2.080 447 M HA -0.301 4.179 4.480 -0.000 0.000 0.260 447 M C 2.531 178.688 176.300 -0.238 0.000 1.068 447 M CA 2.334 57.339 55.300 -0.492 0.000 1.109 447 M CB -0.345 32.082 32.600 -0.289 0.000 1.342 447 M HN 0.551 nan 8.290 nan 0.000 0.405 448 Q N 0.123 119.919 119.800 -0.006 0.000 2.096 448 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 448 Q C 1.463 177.531 176.000 0.114 0.000 0.982 448 Q CA 1.983 57.934 55.803 0.247 0.000 0.850 448 Q CB -0.082 28.805 28.738 0.249 0.000 0.901 448 Q HN 0.586 nan 8.270 nan 0.000 0.422 449 N N 0.635 119.308 118.700 -0.045 0.000 2.120 449 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 449 N C 1.543 176.954 175.510 -0.165 0.000 1.024 449 N CA 1.191 54.195 53.050 -0.076 0.000 0.852 449 N CB -0.297 38.141 38.487 -0.082 0.000 1.003 449 N HN 0.304 nan 8.380 nan 0.000 0.424 450 E N 0.224 120.195 120.200 -0.382 0.000 2.118 450 E HA -0.142 4.207 4.350 -0.000 0.000 0.195 450 E C 1.576 177.933 176.600 -0.405 0.000 0.992 450 E CA 0.868 56.960 56.400 -0.514 0.000 0.804 450 E CB -0.394 28.814 29.700 -0.819 0.000 0.741 450 E HN 0.545 nan 8.360 nan 0.000 0.458 451 Y N 0.600 120.774 120.300 -0.210 0.000 2.571 451 Y HA -0.039 4.511 4.550 -0.000 0.000 0.294 451 Y C 2.336 178.238 175.900 0.003 0.000 1.141 451 Y CA 0.733 58.791 58.100 -0.071 0.000 1.308 451 Y CB 0.132 38.610 38.460 0.031 0.000 1.002 451 Y HN -0.007 nan 8.280 nan 0.000 0.551 452 R N -1.497 119.048 120.500 0.074 0.000 2.087 452 R HA 0.010 4.350 4.340 -0.000 0.000 0.216 452 R C 2.272 178.571 176.300 -0.002 0.000 1.114 452 R CA 1.084 57.217 56.100 0.055 0.000 1.002 452 R CB -0.426 29.902 30.300 0.047 0.000 0.903 452 R HN 0.103 nan 8.270 nan 0.000 0.445 453 S N 1.666 117.337 115.700 -0.049 0.000 2.343 453 S HA -0.147 4.323 4.470 -0.000 0.000 0.219 453 S C 1.667 176.215 174.600 -0.086 0.000 1.033 453 S CA 1.680 59.841 58.200 -0.065 0.000 1.014 453 S CB -0.103 63.043 63.200 -0.089 0.000 0.915 453 S HN 0.430 nan 8.310 nan 0.000 0.435 454 R N 0.184 120.596 120.500 -0.147 0.000 2.600 454 R HA 0.437 4.777 4.340 -0.000 0.000 0.392 454 R C 0.738 176.942 176.300 -0.160 0.000 1.032 454 R CA 0.299 56.312 56.100 -0.146 0.000 1.139 454 R CB -0.295 29.901 30.300 -0.174 0.000 1.400 454 R HN 0.276 nan 8.270 nan 0.000 0.566 455 G N 0.366 109.082 108.800 -0.140 0.000 2.356 455 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.296 455 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.296 455 G C 0.188 174.938 174.900 -0.249 0.000 1.022 455 G CA 0.405 45.463 45.100 -0.070 0.000 0.961 455 G HN 0.879 nan 8.290 nan 0.000 0.510 456 G N -2.586 105.759 108.800 -0.758 0.000 2.411 456 G HA2 0.590 4.550 3.960 -0.000 0.000 0.295 456 G HA3 0.590 4.550 3.960 -0.000 0.000 0.295 456 G C -1.014 173.347 174.900 -0.898 0.000 1.542 456 G CA 0.285 44.904 45.100 -0.803 0.000 0.814 456 G HN 1.678 nan 8.290 nan 0.000 0.557 457 C N 2.670 121.620 119.300 -0.584 0.000 3.044 457 C HA 0.581 5.041 4.460 -0.000 0.000 0.382 457 C C -2.595 172.243 174.990 -0.254 0.000 1.071 457 C CA -1.117 57.663 59.018 -0.396 0.000 1.296 457 C CB 1.057 28.537 27.740 -0.434 0.000 1.730 457 C HN 0.657 nan 8.230 nan 0.000 0.513 458 P HA 0.386 nan 4.420 nan 0.000 0.267 458 P C -0.655 176.525 177.300 -0.198 0.000 1.209 458 P CA 0.606 63.295 63.100 -0.684 0.000 0.763 458 P CB 1.046 32.352 31.700 -0.656 0.000 0.816 459 A N 2.796 125.549 122.820 -0.112 0.000 2.429 459 A HA 0.330 4.650 4.320 -0.000 0.000 0.289 459 A C -0.847 176.788 177.584 0.085 0.000 1.043 459 A CA -0.573 51.506 52.037 0.069 0.000 0.722 459 A CB 0.994 20.123 19.000 0.216 0.000 1.243 459 A HN 0.429 nan 8.150 nan 0.000 0.415 460 D N 2.456 122.907 120.400 0.084 0.000 2.441 460 D HA 0.104 4.744 4.640 -0.000 0.000 0.221 460 D C 0.918 177.348 176.300 0.217 0.000 1.156 460 D CA -0.386 53.698 54.000 0.140 0.000 0.896 460 D CB 0.248 41.097 40.800 0.082 0.000 1.028 460 D HN 0.635 nan 8.370 nan 0.000 0.509 461 W N 4.669 125.999 121.300 0.051 0.000 2.318 461 W HA -0.238 4.422 4.660 -0.000 0.000 0.313 461 W C 1.812 178.365 176.519 0.057 0.000 1.221 461 W CA 1.189 58.552 57.345 0.029 0.000 1.266 461 W CB -0.100 29.363 29.460 0.005 0.000 1.150 461 W HN 0.459 nan 8.180 nan 0.000 0.496 462 I N -0.925 119.961 120.570 0.527 0.000 2.248 462 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 462 I C 1.787 178.017 176.117 0.189 0.000 1.107 462 I CA 1.622 63.165 61.300 0.406 0.000 1.373 462 I CB -0.685 37.565 38.000 0.417 0.000 1.055 462 I HN 0.129 nan 8.210 nan 0.000 0.418 463 W N 0.185 121.473 121.300 -0.021 0.000 2.704 463 W HA 0.122 4.782 4.660 -0.000 0.000 0.266 463 W C 2.230 178.645 176.519 -0.173 0.000 1.266 463 W CA 0.261 57.564 57.345 -0.071 0.000 1.377 463 W CB -0.308 29.140 29.460 -0.021 0.000 1.082 463 W HN -0.023 nan 8.180 nan 0.000 0.608 464 L N -0.395 120.789 121.223 -0.064 0.000 2.179 464 L HA -0.010 4.330 4.340 -0.000 0.000 0.208 464 L C 0.676 177.320 176.870 -0.376 0.000 1.096 464 L CA 0.355 55.023 54.840 -0.286 0.000 0.779 464 L CB -0.898 40.895 42.059 -0.444 0.000 0.922 464 L HN -0.412 nan 8.230 nan 0.000 0.443 465 V N 1.387 121.005 119.914 -0.494 0.000 2.470 465 V HA 0.124 4.244 4.120 -0.000 0.000 0.276 465 V C -1.885 174.017 176.094 -0.319 0.000 1.040 465 V CA -1.386 60.624 62.300 -0.483 0.000 1.008 465 V CB 0.271 31.627 31.823 -0.777 0.000 0.990 465 V HN 0.039 nan 8.190 nan 0.000 0.477 466 P HA 0.090 nan 4.420 nan 0.000 0.265 466 P C -2.018 175.127 177.300 -0.259 0.000 1.187 466 P CA -0.796 62.154 63.100 -0.251 0.000 0.766 466 P CB 0.008 31.567 31.700 -0.234 0.000 0.820 467 P HA -0.065 nan 4.420 nan 0.000 0.231 467 P C 0.174 177.344 177.300 -0.217 0.000 1.158 467 P CA 1.403 64.364 63.100 -0.232 0.000 0.763 467 P CB -0.105 31.453 31.700 -0.237 0.000 0.805 468 M N -5.817 113.618 119.600 -0.276 0.000 2.501 468 M HA 0.547 5.027 4.480 -0.000 0.000 0.293 468 M C -0.388 175.801 176.300 -0.185 0.000 1.192 468 M CA -0.751 54.413 55.300 -0.226 0.000 0.886 468 M CB 2.124 34.575 32.600 -0.248 0.000 1.710 468 M HN -0.394 nan 8.290 nan 0.000 0.457 469 S N 0.980 116.620 115.700 -0.099 0.000 3.614 469 S HA -0.168 4.302 4.470 -0.000 0.000 0.360 469 S C 1.108 175.651 174.600 -0.095 0.000 1.023 469 S CA 0.747 58.918 58.200 -0.047 0.000 1.114 469 S CB -1.815 61.438 63.200 0.088 0.000 0.907 469 S HN 1.207 nan 8.310 nan 0.000 0.470 470 G N 1.956 110.659 108.800 -0.162 0.000 2.553 470 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.218 470 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.218 470 G C 1.454 176.124 174.900 -0.382 0.000 1.195 470 G CA 1.444 46.425 45.100 -0.198 0.000 0.779 470 G HN 0.894 nan 8.290 nan 0.000 0.577 471 S N 0.062 115.278 115.700 -0.806 0.000 2.440 471 S HA -0.071 4.399 4.470 -0.000 0.000 0.238 471 S C 2.146 176.685 174.600 -0.102 0.000 1.010 471 S CA 0.945 58.595 58.200 -0.917 0.000 0.972 471 S CB -0.245 62.494 63.200 -0.768 0.000 0.774 471 S HN 0.202 nan 8.310 nan 0.000 0.501 472 I N 2.162 122.713 120.570 -0.033 0.000 3.291 472 I HA 0.069 4.239 4.170 -0.000 0.000 0.279 472 I C 1.093 177.322 176.117 0.186 0.000 1.294 472 I CA 0.530 61.901 61.300 0.118 0.000 1.428 472 I CB -2.001 36.093 38.000 0.156 0.000 1.070 472 I HN 0.429 nan 8.210 nan 0.000 0.478 473 T N -1.061 113.583 114.554 0.151 0.000 2.824 473 T HA 0.367 4.717 4.350 -0.000 0.000 0.280 473 T C -1.398 173.473 174.700 0.285 0.000 0.995 473 T CA -1.862 60.340 62.100 0.169 0.000 1.009 473 T CB 2.426 71.330 68.868 0.060 0.000 0.955 473 T HN -0.108 nan 8.240 nan 0.000 0.452 474 P HA -0.167 nan 4.420 nan 0.000 0.216 474 P C 1.879 179.396 177.300 0.363 0.000 1.150 474 P CA 1.401 64.713 63.100 0.353 0.000 0.843 474 P CB -0.310 31.543 31.700 0.255 0.000 0.787 475 V N -3.103 116.952 119.914 0.236 0.000 2.469 475 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 475 V C 2.395 178.563 176.094 0.123 0.000 1.064 475 V CA 1.611 63.998 62.300 0.146 0.000 1.066 475 V CB -2.298 29.486 31.823 -0.064 0.000 0.667 475 V HN -0.086 nan 8.190 nan 0.000 0.461 476 F N 1.852 121.778 119.950 -0.041 0.000 2.161 476 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 476 F C 2.456 178.393 175.800 0.229 0.000 1.089 476 F CA 2.353 60.336 58.000 -0.028 0.000 1.282 476 F CB -0.335 38.543 39.000 -0.203 0.000 1.010 476 F HN 0.299 nan 8.300 nan 0.000 0.485 477 H N -1.070 118.299 119.070 0.499 0.000 2.548 477 H HA 0.072 4.628 4.556 -0.000 0.000 0.265 477 H C 0.486 176.053 175.328 0.398 0.000 0.969 477 H CA 0.285 56.589 56.048 0.426 0.000 1.155 477 H CB -0.195 29.829 29.762 0.436 0.000 1.394 477 H HN 0.257 nan 8.280 nan 0.000 0.570 478 Q N 2.164 122.240 119.800 0.461 0.000 2.295 478 Q HA 0.097 4.437 4.340 -0.000 0.000 0.259 478 Q C -0.519 175.708 176.000 0.379 0.000 0.976 478 Q CA -0.146 55.888 55.803 0.385 0.000 0.923 478 Q CB 0.607 29.561 28.738 0.360 0.000 1.185 478 Q HN 0.239 nan 8.270 nan 0.000 0.410 479 E N 4.117 124.481 120.200 0.272 0.000 2.338 479 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 479 E C -0.464 176.256 176.600 0.199 0.000 1.029 479 E CA -0.018 56.501 56.400 0.198 0.000 0.872 479 E CB 0.698 30.490 29.700 0.154 0.000 1.015 479 E HN 0.665 nan 8.360 nan 0.000 0.417 480 M N 1.213 120.927 119.600 0.190 0.000 2.470 480 M HA 0.466 4.946 4.480 -0.000 0.000 0.285 480 M C -1.468 174.920 176.300 0.146 0.000 1.213 480 M CA -0.927 54.488 55.300 0.191 0.000 0.901 480 M CB 1.408 34.164 32.600 0.260 0.000 1.718 480 M HN 0.222 nan 8.290 nan 0.000 0.469 481 L N 1.905 123.215 121.223 0.145 0.000 2.309 481 L HA 0.534 4.874 4.340 -0.000 0.000 0.282 481 L C -0.451 176.438 176.870 0.031 0.000 1.036 481 L CA -0.404 54.525 54.840 0.148 0.000 0.806 481 L CB 1.649 43.874 42.059 0.278 0.000 1.220 481 L HN 0.825 nan 8.230 nan 0.000 0.429 482 N N 2.586 121.321 118.700 0.058 0.000 2.408 482 N HA 0.535 5.275 4.740 -0.000 0.000 0.280 482 N C -1.802 173.741 175.510 0.055 0.000 1.002 482 N CA -0.446 52.579 53.050 -0.041 0.000 0.907 482 N CB 1.230 39.739 38.487 0.035 0.000 1.161 482 N HN 0.487 nan 8.380 nan 0.000 0.488 483 Y N -0.222 120.097 120.300 0.031 0.000 2.558 483 Y HA 0.400 4.950 4.550 -0.000 0.000 0.333 483 Y C -1.406 174.454 175.900 -0.068 0.000 1.125 483 Y CA -1.203 56.889 58.100 -0.014 0.000 1.039 483 Y CB 0.295 38.755 38.460 -0.001 0.000 1.331 483 Y HN -0.024 nan 8.280 nan 0.000 0.456 484 V N 4.504 124.420 119.914 0.004 0.000 2.461 484 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 484 V C 0.239 176.224 176.094 -0.181 0.000 1.047 484 V CA -0.303 61.777 62.300 -0.367 0.000 0.955 484 V CB 0.517 31.974 31.823 -0.610 0.000 0.988 484 V HN 0.793 nan 8.190 nan 0.000 0.471 485 L N 2.911 124.044 121.223 -0.150 0.000 2.558 485 L HA 0.781 5.121 4.340 -0.000 0.000 0.260 485 L C 0.136 177.014 176.870 0.014 0.000 1.130 485 L CA -0.593 54.252 54.840 0.008 0.000 1.049 485 L CB 1.697 43.812 42.059 0.094 0.000 1.758 485 L HN 0.619 nan 8.230 nan 0.000 0.555 486 S N -0.688 115.060 115.700 0.080 0.000 2.566 486 S HA 0.519 4.989 4.470 -0.000 0.000 0.273 486 S C -2.743 171.932 174.600 0.125 0.000 1.157 486 S CA -0.988 57.284 58.200 0.121 0.000 0.938 486 S CB 1.931 65.214 63.200 0.138 0.000 1.087 486 S HN 0.123 nan 8.310 nan 0.000 0.474 487 P HA 0.446 nan 4.420 nan 0.000 0.271 487 P C -1.225 176.071 177.300 -0.007 0.000 1.238 487 P CA -0.068 63.031 63.100 -0.002 0.000 0.794 487 P CB 0.247 31.868 31.700 -0.133 0.000 0.959 488 F N -0.096 119.664 119.950 -0.317 0.000 2.703 488 F HA 0.414 4.941 4.527 -0.000 0.000 0.308 488 F C -1.700 173.789 175.800 -0.519 0.000 1.126 488 F CA -0.710 57.027 58.000 -0.439 0.000 0.959 488 F CB 1.116 39.846 39.000 -0.449 0.000 1.297 488 F HN 0.155 nan 8.300 nan 0.000 0.441 489 Y N 4.282 123.999 120.300 -0.972 0.000 2.491 489 Y HA 0.437 4.987 4.550 -0.000 0.000 0.334 489 Y C -0.983 174.562 175.900 -0.592 0.000 0.969 489 Y CA -0.715 57.019 58.100 -0.611 0.000 1.241 489 Y CB 0.305 38.368 38.460 -0.662 0.000 1.105 489 Y HN 0.338 nan 8.280 nan 0.000 0.503 490 Y N 1.285 121.631 120.300 0.078 0.000 2.335 490 Y HA 0.335 4.885 4.550 -0.000 0.000 0.323 490 Y C -0.157 175.755 175.900 0.021 0.000 1.224 490 Y CA -1.063 57.118 58.100 0.134 0.000 1.241 490 Y CB 0.691 39.283 38.460 0.220 0.000 1.235 490 Y HN 0.435 nan 8.280 nan 0.000 0.492 491 Y N 1.062 121.516 120.300 0.255 0.000 2.314 491 Y HA 0.253 4.803 4.550 -0.000 0.000 0.334 491 Y C 0.308 176.276 175.900 0.114 0.000 1.266 491 Y CA -0.269 57.908 58.100 0.130 0.000 1.391 491 Y CB 0.588 39.092 38.460 0.074 0.000 1.306 491 Y HN 0.451 nan 8.280 nan 0.000 0.558 492 Q N 0.164 120.089 119.800 0.208 0.000 2.445 492 Q HA 0.579 4.919 4.340 -0.000 0.000 0.281 492 Q C -1.356 174.633 176.000 -0.017 0.000 1.101 492 Q CA -1.323 54.525 55.803 0.075 0.000 0.833 492 Q CB 2.460 31.215 28.738 0.029 0.000 1.416 492 Q HN 0.348 nan 8.270 nan 0.000 0.451 493 V N 1.728 121.586 119.914 -0.093 0.000 2.530 493 V HA 0.038 4.158 4.120 -0.000 0.000 0.282 493 V C -0.251 175.635 176.094 -0.345 0.000 1.048 493 V CA -0.274 61.916 62.300 -0.182 0.000 0.997 493 V CB 0.864 32.588 31.823 -0.165 0.000 0.987 493 V HN 0.674 nan 8.190 nan 0.000 0.477 494 E N 3.325 123.218 120.200 -0.511 0.000 2.729 494 E HA 0.048 4.398 4.350 -0.000 0.000 0.246 494 E C 1.305 177.263 176.600 -1.069 0.000 0.984 494 E CA 0.627 56.440 56.400 -0.979 0.000 0.951 494 E CB 0.345 29.109 29.700 -1.561 0.000 0.914 494 E HN 0.787 nan 8.360 nan 0.000 0.509 495 A N 4.494 126.695 122.820 -1.033 0.000 1.915 495 A HA -0.254 4.066 4.320 -0.000 0.000 0.220 495 A C 1.780 178.717 177.584 -1.079 0.000 1.198 495 A CA 2.254 53.597 52.037 -1.157 0.000 0.647 495 A CB -1.139 16.673 19.000 -1.981 0.000 0.825 495 A HN 0.988 nan 8.150 nan 0.000 0.456 496 W N -0.088 120.652 121.300 -0.935 0.000 2.387 496 W HA -0.052 4.608 4.660 -0.000 0.000 0.272 496 W C 1.441 177.941 176.519 -0.032 0.000 1.224 496 W CA 1.137 58.310 57.345 -0.286 0.000 1.210 496 W CB -0.271 29.292 29.460 0.171 0.000 1.125 496 W HN 0.196 nan 8.180 nan 0.000 0.572 497 K N 0.182 120.375 120.400 -0.345 0.000 2.366 497 K HA -0.000 4.320 4.320 -0.000 0.000 0.198 497 K C 1.856 178.404 176.600 -0.087 0.000 1.044 497 K CA 1.691 57.894 56.287 -0.140 0.000 0.973 497 K CB -0.113 32.227 32.500 -0.266 0.000 0.767 497 K HN 0.440 nan 8.250 nan 0.000 0.475 498 T N -3.628 110.835 114.554 -0.152 0.000 2.989 498 T HA -0.017 4.333 4.350 -0.000 0.000 0.250 498 T C 0.607 175.250 174.700 -0.094 0.000 0.981 498 T CA -0.344 61.692 62.100 -0.107 0.000 0.980 498 T CB -0.383 68.404 68.868 -0.135 0.000 1.133 498 T HN 0.165 nan 8.240 nan 0.000 0.489 499 H N 1.833 120.761 119.070 -0.237 0.000 3.115 499 H HA 0.339 4.895 4.556 -0.000 0.000 0.324 499 H C -0.636 174.518 175.328 -0.290 0.000 1.007 499 H CA 0.357 56.245 56.048 -0.268 0.000 1.385 499 H CB 0.375 29.946 29.762 -0.318 0.000 1.351 499 H HN 0.129 nan 8.280 nan 0.000 0.592 500 V N 6.884 126.257 119.914 -0.902 0.000 2.350 500 V HA 0.075 4.195 4.120 -0.000 0.000 0.276 500 V C -0.266 175.405 176.094 -0.704 0.000 1.028 500 V CA -0.661 61.304 62.300 -0.559 0.000 0.860 500 V CB 0.081 31.727 31.823 -0.295 0.000 0.990 500 V HN 0.734 nan 8.190 nan 0.000 0.453 501 W N 3.275 124.517 121.300 -0.096 0.000 2.158 501 W HA 0.395 5.055 4.660 -0.000 0.000 0.339 501 W C 0.715 177.246 176.519 0.019 0.000 1.294 501 W CA -0.085 57.300 57.345 0.067 0.000 1.231 501 W CB 0.335 29.875 29.460 0.133 0.000 1.143 501 W HN 0.525 nan 8.180 nan 0.000 0.571 502 Q N 0.000 119.996 119.800 0.326 0.000 2.315 502 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 502 Q CA 0.000 55.907 55.803 0.174 0.000 1.022 502 Q CB 0.000 28.811 28.738 0.121 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481