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 4nos_1_B 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 IHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.391 176.300 0.152 0.000 0.893 83 R CA 0.000 56.075 56.100 -0.042 0.000 0.921 83 R CB 0.000 30.328 30.300 0.047 0.000 0.687 84 H N -1.361 117.830 119.070 0.202 0.000 2.581 84 H HA 0.533 5.090 4.556 0.000 0.000 0.369 84 H C -0.179 175.253 175.328 0.173 0.000 1.351 84 H CA -0.613 55.569 56.048 0.223 0.000 1.434 84 H CB 0.763 30.618 29.762 0.155 0.000 1.558 84 H HN -0.054 nan 8.280 nan 0.000 0.608 85 V N 1.258 121.378 119.914 0.344 0.000 2.444 85 V HA 0.275 4.395 4.120 0.000 0.000 0.294 85 V C 0.231 176.424 176.094 0.166 0.000 1.022 85 V CA -0.923 61.475 62.300 0.164 0.000 0.850 85 V CB 1.180 32.980 31.823 -0.038 0.000 0.992 85 V HN 0.736 nan 8.190 nan 0.000 0.426 86 R N 5.375 125.958 120.500 0.138 0.000 2.390 86 R HA 0.622 4.962 4.340 0.000 0.000 0.291 86 R C -0.746 175.549 176.300 -0.008 0.000 1.070 86 R CA -0.222 55.905 56.100 0.045 0.000 1.014 86 R CB 0.906 31.225 30.300 0.032 0.000 1.007 86 R HN 0.841 nan 8.270 nan 0.000 0.466 87 I N -0.110 120.415 120.570 -0.074 0.000 2.828 87 I HA 0.575 4.745 4.170 0.000 0.000 0.302 87 I C -1.180 174.794 176.117 -0.239 0.000 1.101 87 I CA -1.084 60.165 61.300 -0.085 0.000 1.031 87 I CB 2.331 40.327 38.000 -0.006 0.000 1.231 87 I HN 0.480 nan 8.210 nan 0.000 0.427 88 K N 3.049 123.267 120.400 -0.303 0.000 2.435 88 K HA 0.377 4.697 4.320 0.000 0.000 0.251 88 K C -1.477 174.775 176.600 -0.580 0.000 0.954 88 K CA -0.752 55.188 56.287 -0.578 0.000 0.820 88 K CB 2.168 34.121 32.500 -0.912 0.000 1.292 88 K HN 0.794 nan 8.250 nan 0.000 0.436 89 N N 3.366 121.734 118.700 -0.554 0.000 2.511 89 N HA 0.123 4.863 4.740 0.000 0.000 0.249 89 N C -0.344 174.978 175.510 -0.313 0.000 0.971 89 N CA -0.392 52.493 53.050 -0.275 0.000 0.938 89 N CB 0.431 38.826 38.487 -0.153 0.000 1.131 89 N HN 0.646 nan 8.380 nan 0.000 0.505 90 W N 2.242 123.577 121.300 0.057 0.000 2.848 90 W HA 0.172 4.832 4.660 0.000 0.000 0.241 90 W C 1.913 178.418 176.519 -0.023 0.000 1.289 90 W CA -0.018 57.345 57.345 0.030 0.000 1.396 90 W CB 0.328 29.833 29.460 0.075 0.000 1.138 90 W HN 0.638 nan 8.180 nan 0.000 0.677 91 G N -0.894 107.974 108.800 0.113 0.000 2.709 91 G HA2 -0.075 3.885 3.960 0.000 0.000 0.208 91 G HA3 -0.075 3.885 3.960 0.000 0.000 0.208 91 G C 1.381 176.275 174.900 -0.010 0.000 1.129 91 G CA 0.808 45.898 45.100 -0.016 0.000 0.793 91 G HN 0.238 nan 8.290 nan 0.000 0.524 92 S N -1.626 114.058 115.700 -0.026 0.000 2.559 92 S HA 0.397 4.867 4.470 0.000 0.000 0.226 92 S C 1.841 176.378 174.600 -0.105 0.000 1.030 92 S CA 1.054 59.222 58.200 -0.053 0.000 0.956 92 S CB 0.552 63.723 63.200 -0.049 0.000 0.900 92 S HN 1.408 nan 8.310 nan 0.000 0.510 93 G N 1.825 110.532 108.800 -0.155 0.000 2.234 93 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 93 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 93 G C 0.071 174.789 174.900 -0.304 0.000 0.987 93 G CA 0.421 45.389 45.100 -0.220 0.000 0.625 93 G HN 0.672 nan 8.290 nan 0.000 0.532 94 M N 2.585 121.996 119.600 -0.314 0.000 2.248 94 M HA 0.452 4.932 4.480 0.000 0.000 0.345 94 M C 0.875 176.796 176.300 -0.631 0.000 1.243 94 M CA 1.262 56.300 55.300 -0.437 0.000 1.090 94 M CB 0.409 32.736 32.600 -0.455 0.000 1.683 94 M HN 0.524 nan 8.290 nan 0.000 0.450 95 T N 1.602 115.767 114.554 -0.649 0.000 2.908 95 T HA 0.754 5.104 4.350 0.000 0.000 0.290 95 T C -0.965 173.308 174.700 -0.711 0.000 1.034 95 T CA -0.800 60.924 62.100 -0.627 0.000 1.010 95 T CB 1.316 69.962 68.868 -0.371 0.000 1.068 95 T HN 0.462 nan 8.240 nan 0.000 0.481 96 F N 0.136 119.868 119.950 -0.363 0.000 2.588 96 F HA 0.536 5.063 4.527 0.000 0.000 0.314 96 F C 0.004 175.579 175.800 -0.374 0.000 1.069 96 F CA -1.115 56.587 58.000 -0.497 0.000 0.931 96 F CB 2.474 40.765 39.000 -1.182 0.000 1.260 96 F HN 0.568 nan 8.300 nan 0.000 0.465 97 Q N 1.429 121.201 119.800 -0.046 0.000 2.322 97 Q HA 0.298 4.638 4.340 0.000 0.000 0.265 97 Q C -1.410 174.712 176.000 0.204 0.000 0.985 97 Q CA -0.755 55.004 55.803 -0.072 0.000 0.849 97 Q CB 2.500 30.969 28.738 -0.447 0.000 1.274 97 Q HN 0.421 nan 8.270 nan 0.000 0.449 98 D N 1.975 122.567 120.400 0.320 0.000 2.392 98 D HA 0.133 4.773 4.640 0.000 0.000 0.228 98 D C 0.226 176.764 176.300 0.396 0.000 1.074 98 D CA -0.180 54.099 54.000 0.464 0.000 0.838 98 D CB 1.406 42.508 40.800 0.503 0.000 1.067 98 D HN 0.684 nan 8.370 nan 0.000 0.511 99 T N 1.027 115.727 114.554 0.244 0.000 2.990 99 T HA -0.039 4.311 4.350 0.000 0.000 0.249 99 T C 1.874 176.520 174.700 -0.091 0.000 1.039 99 T CA -0.243 61.938 62.100 0.135 0.000 1.036 99 T CB 0.187 69.149 68.868 0.157 0.000 0.994 99 T HN 0.230 nan 8.240 nan 0.000 0.489 100 L N 3.447 124.623 121.223 -0.079 0.000 2.079 100 L HA -0.147 4.193 4.340 0.000 0.000 0.210 100 L C 2.572 179.199 176.870 -0.405 0.000 1.081 100 L CA 1.931 56.683 54.840 -0.147 0.000 0.752 100 L CB -1.035 41.003 42.059 -0.035 0.000 0.896 100 L HN 0.604 nan 8.230 nan 0.000 0.433 101 H N -2.586 115.986 119.070 -0.830 0.000 2.541 101 H HA -0.196 4.361 4.556 0.000 0.000 0.289 101 H C 1.630 176.582 175.328 -0.626 0.000 1.054 101 H CA 1.774 57.000 56.048 -1.370 0.000 1.250 101 H CB -0.876 28.057 29.762 -1.382 0.000 1.369 101 H HN 0.573 nan 8.280 nan 0.000 0.578 102 H N 0.638 119.224 119.070 -0.806 0.000 2.495 102 H HA 0.025 4.581 4.556 0.000 0.000 0.287 102 H C 1.609 176.787 175.328 -0.249 0.000 1.033 102 H CA 0.963 56.718 56.048 -0.488 0.000 1.307 102 H CB 0.428 29.935 29.762 -0.425 0.000 1.401 102 H HN 0.229 nan 8.280 nan 0.000 0.555 103 K N 0.384 120.712 120.400 -0.120 0.000 2.418 103 K HA 0.192 4.512 4.320 0.000 0.000 0.195 103 K C 0.600 177.185 176.600 -0.025 0.000 1.035 103 K CA 0.301 56.559 56.287 -0.049 0.000 1.003 103 K CB 0.509 32.990 32.500 -0.032 0.000 0.793 103 K HN 0.182 nan 8.250 nan 0.000 0.494 104 A N 1.816 124.605 122.820 -0.052 0.000 2.406 104 A HA 0.149 4.469 4.320 0.000 0.000 0.243 104 A C -0.186 177.400 177.584 0.004 0.000 1.082 104 A CA -0.281 51.766 52.037 0.015 0.000 0.786 104 A CB 0.250 19.291 19.000 0.069 0.000 1.029 104 A HN 0.031 nan 8.150 nan 0.000 0.495 105 K N 1.333 121.732 120.400 -0.002 0.000 2.249 105 K HA 0.245 4.565 4.320 0.000 0.000 0.280 105 K C 0.561 177.166 176.600 0.008 0.000 1.033 105 K CA 0.277 56.566 56.287 0.004 0.000 0.946 105 K CB 0.439 32.941 32.500 0.004 0.000 1.005 105 K HN 0.715 nan 8.250 nan 0.000 0.469 106 G N 2.730 111.539 108.800 0.016 0.000 3.102 106 G HA2 0.266 4.226 3.960 0.000 0.000 0.264 106 G HA3 0.266 4.226 3.960 0.000 0.000 0.264 106 G C 0.841 175.754 174.900 0.021 0.000 0.788 106 G CA -0.305 44.806 45.100 0.020 0.000 2.029 106 G HN 0.709 nan 8.290 nan 0.000 0.608 107 I N -1.892 118.690 120.570 0.020 0.000 4.312 107 I HA 0.381 4.551 4.170 0.000 0.000 0.324 107 I C 0.826 176.963 176.117 0.033 0.000 1.298 107 I CA -0.439 60.877 61.300 0.028 0.000 1.231 107 I CB -0.001 38.022 38.000 0.038 0.000 1.152 107 I HN -0.042 nan 8.210 nan 0.000 0.421 108 L N 2.695 123.935 121.223 0.029 0.000 2.506 108 L HA 0.042 4.382 4.340 0.000 0.000 0.281 108 L C 1.571 178.466 176.870 0.040 0.000 1.228 108 L CA 0.480 55.343 54.840 0.037 0.000 0.850 108 L CB 0.499 42.581 42.059 0.039 0.000 1.110 108 L HN 0.378 nan 8.230 nan 0.000 0.496 109 T N -2.703 111.879 114.554 0.046 0.000 3.129 109 T HA 0.064 4.414 4.350 0.000 0.000 0.251 109 T C 0.642 175.365 174.700 0.038 0.000 1.117 109 T CA -0.426 61.700 62.100 0.042 0.000 1.034 109 T CB -0.389 68.507 68.868 0.047 0.000 0.968 109 T HN 0.466 nan 8.240 nan 0.000 0.526 110 C N 3.461 122.784 119.300 0.038 0.000 2.662 110 C HA 0.552 5.012 4.460 0.000 0.000 0.420 110 C C 1.110 176.115 174.990 0.026 0.000 1.314 110 C CA -0.859 58.178 59.018 0.033 0.000 1.963 110 C CB -0.581 27.179 27.740 0.033 0.000 2.686 110 C HN 0.739 nan 8.230 nan 0.000 0.609 111 R N 1.384 121.898 120.500 0.022 0.000 2.869 111 R HA 0.542 4.882 4.340 0.000 0.000 0.263 111 R C 0.822 177.131 176.300 0.015 0.000 1.066 111 R CA -0.107 56.004 56.100 0.019 0.000 0.960 111 R CB 0.645 30.956 30.300 0.018 0.000 1.221 111 R HN 0.560 nan 8.270 nan 0.000 0.474 112 S N -0.150 115.557 115.700 0.013 0.000 2.419 112 S HA -0.174 4.296 4.470 0.000 0.000 0.235 112 S C 1.548 176.153 174.600 0.009 0.000 1.019 112 S CA 1.259 59.465 58.200 0.010 0.000 0.982 112 S CB -0.200 63.006 63.200 0.009 0.000 0.789 112 S HN 0.604 nan 8.310 nan 0.000 0.490 113 K N 1.790 122.196 120.400 0.010 0.000 2.365 113 K HA 0.174 4.494 4.320 0.000 0.000 0.197 113 K C 0.063 176.669 176.600 0.011 0.000 1.042 113 K CA 0.543 56.836 56.287 0.010 0.000 0.987 113 K CB 0.275 32.781 32.500 0.011 0.000 0.779 113 K HN 0.641 nan 8.250 nan 0.000 0.484 114 S N -2.224 113.484 115.700 0.013 0.000 2.578 114 S HA 0.201 4.672 4.470 0.000 0.000 0.285 114 S C -1.302 173.309 174.600 0.019 0.000 1.126 114 S CA -1.393 56.816 58.200 0.015 0.000 0.878 114 S CB 0.451 63.662 63.200 0.018 0.000 1.091 114 S HN 0.058 nan 8.310 nan 0.000 0.450 115 C N 4.419 123.730 119.300 0.019 0.000 2.273 115 C HA 0.671 5.131 4.460 0.000 0.000 0.328 115 C C 0.454 175.465 174.990 0.035 0.000 1.275 115 C CA -0.778 58.255 59.018 0.024 0.000 1.704 115 C CB -1.120 26.629 27.740 0.016 0.000 2.326 115 C HN 0.858 nan 8.230 nan 0.000 0.517 116 L N 6.194 127.444 121.223 0.045 0.000 3.094 116 L HA 0.294 4.634 4.340 0.000 0.000 0.254 116 L C 1.814 178.730 176.870 0.076 0.000 1.298 116 L CA 0.179 55.054 54.840 0.058 0.000 1.050 116 L CB -0.537 41.556 42.059 0.057 0.000 1.420 116 L HN 1.007 nan 8.230 nan 0.000 0.548 117 G N 0.679 109.525 108.800 0.076 0.000 2.471 117 G HA2 -0.214 3.747 3.960 0.000 0.000 0.219 117 G HA3 -0.214 3.747 3.960 0.000 0.000 0.219 117 G C 1.436 176.421 174.900 0.142 0.000 1.125 117 G CA 1.025 46.185 45.100 0.101 0.000 0.775 117 G HN 0.535 nan 8.290 nan 0.000 0.548 118 S N -0.400 115.379 115.700 0.131 0.000 2.575 118 S HA 0.331 4.801 4.470 0.000 0.000 0.215 118 S C 0.724 175.424 174.600 0.167 0.000 0.966 118 S CA -0.541 57.756 58.200 0.160 0.000 0.911 118 S CB -0.034 63.239 63.200 0.122 0.000 0.780 118 S HN 0.210 nan 8.310 nan 0.000 0.514 119 I N 2.263 122.923 120.570 0.150 0.000 2.452 119 I HA 0.118 4.288 4.170 0.000 0.000 0.287 119 I C 1.546 177.784 176.117 0.201 0.000 1.079 119 I CA -0.225 61.162 61.300 0.145 0.000 1.387 119 I CB 0.848 38.914 38.000 0.110 0.000 1.404 119 I HN 0.229 nan 8.210 nan 0.000 0.522 120 M N 3.712 123.444 119.600 0.219 0.000 2.059 120 M HA -0.099 4.381 4.480 0.000 0.000 0.259 120 M C 0.801 177.241 176.300 0.234 0.000 1.072 120 M CA 1.738 57.221 55.300 0.305 0.000 1.117 120 M CB -0.214 32.540 32.600 0.258 0.000 1.320 120 M HN 0.539 nan 8.290 nan 0.000 0.408 121 T N 2.047 116.667 114.554 0.109 0.000 3.368 121 T HA 0.314 4.664 4.350 0.000 0.000 0.321 121 T C -2.286 172.477 174.700 0.105 0.000 1.830 121 T CA -1.111 61.005 62.100 0.026 0.000 1.494 121 T CB -0.011 68.746 68.868 -0.185 0.000 1.045 121 T HN 0.225 nan 8.240 nan 0.000 0.729 122 P HA 0.186 nan 4.420 nan 0.000 0.274 122 P C 0.629 178.021 177.300 0.153 0.000 1.231 122 P CA -0.496 62.685 63.100 0.135 0.000 0.790 122 P CB 1.236 33.014 31.700 0.131 0.000 0.951 123 K N 0.008 120.472 120.400 0.108 0.000 2.555 123 K HA -0.048 4.272 4.320 0.000 0.000 0.193 123 K C 1.334 178.005 176.600 0.119 0.000 1.032 123 K CA 1.117 57.465 56.287 0.102 0.000 1.004 123 K CB -0.407 32.128 32.500 0.059 0.000 0.804 123 K HN 0.346 nan 8.250 nan 0.000 0.496 124 S N 0.575 116.353 115.700 0.130 0.000 2.446 124 S HA 0.037 4.507 4.470 0.000 0.000 0.225 124 S C 1.561 176.290 174.600 0.215 0.000 1.016 124 S CA 0.100 58.378 58.200 0.131 0.000 0.943 124 S CB -0.205 63.052 63.200 0.095 0.000 0.786 124 S HN 0.362 nan 8.310 nan 0.000 0.508 125 L N 1.588 122.967 121.223 0.261 0.000 2.700 125 L HA 0.320 4.660 4.340 0.000 0.000 0.234 125 L C -0.217 176.939 176.870 0.476 0.000 1.156 125 L CA -0.045 55.003 54.840 0.347 0.000 0.946 125 L CB 0.177 42.376 42.059 0.233 0.000 1.216 125 L HN 0.216 nan 8.230 nan 0.000 0.493 126 T N -0.210 114.574 114.554 0.384 0.000 2.829 126 T HA 0.440 4.791 4.350 0.000 0.000 0.280 126 T C -0.422 174.349 174.700 0.118 0.000 0.999 126 T CA -0.454 61.824 62.100 0.297 0.000 0.983 126 T CB 2.288 71.277 68.868 0.201 0.000 0.968 126 T HN -0.061 nan 8.240 nan 0.000 0.446 127 R N 1.753 122.285 120.500 0.053 0.000 2.358 127 R HA 0.609 4.949 4.340 0.000 0.000 0.309 127 R C 0.331 176.609 176.300 -0.036 0.000 1.026 127 R CA -0.275 55.756 56.100 -0.114 0.000 0.909 127 R CB 0.394 30.537 30.300 -0.262 0.000 1.153 127 R HN 0.836 nan 8.270 nan 0.000 0.515 128 G N 2.755 111.529 108.800 -0.044 0.000 2.583 128 G HA2 0.465 4.425 3.960 0.000 0.000 0.280 128 G HA3 0.465 4.425 3.960 0.000 0.000 0.280 128 G C -2.126 172.745 174.900 -0.048 0.000 1.376 128 G CA -1.109 43.965 45.100 -0.043 0.000 1.043 128 G HN 0.543 nan 8.290 nan 0.000 0.538 129 P HA 0.279 nan 4.420 nan 0.000 0.275 129 P C -0.711 176.566 177.300 -0.040 0.000 1.228 129 P CA -0.128 62.943 63.100 -0.049 0.000 0.786 129 P CB 1.484 33.147 31.700 -0.063 0.000 0.927 130 R N 1.207 121.688 120.500 -0.033 0.000 2.732 130 R HA 0.226 4.567 4.340 0.000 0.000 0.278 130 R C 0.219 176.503 176.300 -0.025 0.000 0.976 130 R CA -0.451 55.633 56.100 -0.026 0.000 0.963 130 R CB 1.428 31.716 30.300 -0.021 0.000 1.150 130 R HN 0.449 nan 8.270 nan 0.000 0.478 131 D N -0.172 120.216 120.400 -0.020 0.000 2.470 131 D HA 0.075 4.715 4.640 0.000 0.000 0.238 131 D C -0.467 175.828 176.300 -0.007 0.000 1.054 131 D CA 0.789 54.777 54.000 -0.020 0.000 0.896 131 D CB 0.659 41.447 40.800 -0.019 0.000 1.118 131 D HN 0.076 nan 8.370 nan 0.000 0.497 132 K N 0.890 121.289 120.400 -0.002 0.000 2.350 132 K HA 0.437 4.757 4.320 0.000 0.000 0.241 132 K C -2.583 174.023 176.600 0.010 0.000 0.994 132 K CA -2.096 54.196 56.287 0.008 0.000 0.839 132 K CB 1.113 33.616 32.500 0.006 0.000 1.244 132 K HN -0.038 nan 8.250 nan 0.000 0.443 133 P HA 0.058 nan 4.420 nan 0.000 0.274 133 P C -0.515 176.791 177.300 0.010 0.000 1.237 133 P CA -0.152 62.955 63.100 0.012 0.000 0.793 133 P CB 0.151 31.862 31.700 0.018 0.000 0.977 134 T N 3.487 118.046 114.554 0.008 0.000 2.817 134 T HA 0.158 4.508 4.350 0.000 0.000 0.295 134 T C -2.037 172.677 174.700 0.023 0.000 0.958 134 T CA -0.528 61.581 62.100 0.014 0.000 1.157 134 T CB -0.999 67.882 68.868 0.020 0.000 0.898 134 T HN 0.347 nan 8.240 nan 0.000 0.536 135 P HA 0.087 nan 4.420 nan 0.000 0.264 135 P C -1.870 175.448 177.300 0.030 0.000 1.183 135 P CA -1.172 61.941 63.100 0.022 0.000 0.763 135 P CB 0.204 31.915 31.700 0.018 0.000 0.807 136 P HA -0.144 nan 4.420 nan 0.000 0.217 136 P C 0.836 178.157 177.300 0.034 0.000 1.151 136 P CA 1.343 64.467 63.100 0.040 0.000 0.828 136 P CB 0.074 31.795 31.700 0.036 0.000 0.788 137 D N -0.493 119.922 120.400 0.025 0.000 2.144 137 D HA -0.184 4.457 4.640 0.000 0.000 0.199 137 D C 1.922 178.236 176.300 0.023 0.000 0.984 137 D CA 1.102 55.114 54.000 0.020 0.000 0.834 137 D CB -0.434 40.375 40.800 0.015 0.000 0.955 137 D HN 0.336 nan 8.370 nan 0.000 0.465 138 E N -0.057 120.159 120.200 0.026 0.000 2.150 138 E HA -0.145 4.206 4.350 0.000 0.000 0.193 138 E C 2.037 178.662 176.600 0.041 0.000 0.985 138 E CA 0.323 56.740 56.400 0.028 0.000 0.814 138 E CB 0.021 29.736 29.700 0.025 0.000 0.752 138 E HN 0.082 nan 8.360 nan 0.000 0.466 139 L N 0.760 122.013 121.223 0.051 0.000 2.156 139 L HA -0.046 4.295 4.340 0.000 0.000 0.208 139 L C 2.116 179.024 176.870 0.064 0.000 1.095 139 L CA 1.012 55.899 54.840 0.078 0.000 0.770 139 L CB -0.541 41.581 42.059 0.105 0.000 0.914 139 L HN 0.246 nan 8.230 nan 0.000 0.439 140 L N 1.212 122.454 121.223 0.033 0.000 1.978 140 L HA -0.140 4.201 4.340 0.000 0.000 0.218 140 L C -0.499 176.373 176.870 0.003 0.000 1.075 140 L CA 2.505 57.345 54.840 -0.000 0.000 0.767 140 L CB -1.934 40.125 42.059 -0.001 0.000 0.890 140 L HN 0.247 nan 8.230 nan 0.000 0.434 141 P HA -0.234 nan 4.420 nan 0.000 0.216 141 P C 1.292 178.625 177.300 0.055 0.000 1.150 141 P CA 1.809 64.928 63.100 0.031 0.000 0.843 141 P CB -0.153 31.565 31.700 0.030 0.000 0.787 142 Q N -0.397 119.449 119.800 0.076 0.000 2.172 142 Q HA -0.003 4.338 4.340 0.000 0.000 0.200 142 Q C 2.427 178.527 176.000 0.168 0.000 0.964 142 Q CA 1.329 57.206 55.803 0.123 0.000 0.855 142 Q CB -0.590 28.226 28.738 0.130 0.000 0.918 142 Q HN 0.202 nan 8.270 nan 0.000 0.444 143 A N 1.412 124.290 122.820 0.098 0.000 1.873 143 A HA -0.158 4.162 4.320 0.000 0.000 0.215 143 A C 2.045 179.646 177.584 0.028 0.000 1.186 143 A CA 1.075 53.105 52.037 -0.012 0.000 0.616 143 A CB -0.416 18.319 19.000 -0.440 0.000 0.823 143 A HN 0.217 nan 8.150 nan 0.000 0.442 144 I N 0.138 120.712 120.570 0.007 0.000 2.226 144 I HA -0.200 3.970 4.170 0.000 0.000 0.245 144 I C 2.423 178.592 176.117 0.087 0.000 1.100 144 I CA 1.946 63.270 61.300 0.041 0.000 1.374 144 I CB -1.507 36.509 38.000 0.027 0.000 1.057 144 I HN 0.429 nan 8.210 nan 0.000 0.413 145 E N 1.355 121.616 120.200 0.102 0.000 2.085 145 E HA -0.281 4.070 4.350 0.000 0.000 0.194 145 E C 2.180 178.856 176.600 0.127 0.000 0.994 145 E CA 1.470 57.935 56.400 0.108 0.000 0.801 145 E CB -0.646 29.122 29.700 0.113 0.000 0.743 145 E HN 0.381 nan 8.360 nan 0.000 0.453 146 F N 0.016 120.031 119.950 0.108 0.000 2.134 146 F HA -0.122 4.405 4.527 0.000 0.000 0.299 146 F C 1.984 177.861 175.800 0.129 0.000 1.097 146 F CA 1.266 59.355 58.000 0.147 0.000 1.264 146 F CB -0.415 38.703 39.000 0.197 0.000 1.001 146 F HN -0.045 nan 8.300 nan 0.000 0.479 147 V N 1.035 120.905 119.914 -0.073 0.000 2.295 147 V HA -0.336 3.784 4.120 0.000 0.000 0.246 147 V C 2.243 178.269 176.094 -0.112 0.000 1.049 147 V CA 2.174 64.433 62.300 -0.068 0.000 1.024 147 V CB -0.911 30.996 31.823 0.141 0.000 0.648 147 V HN 0.352 nan 8.190 nan 0.000 0.447 148 N N 0.034 118.720 118.700 -0.024 0.000 2.166 148 N HA -0.220 4.520 4.740 0.000 0.000 0.186 148 N C 1.902 177.319 175.510 -0.155 0.000 1.019 148 N CA 1.709 54.765 53.050 0.009 0.000 0.856 148 N CB -0.374 38.184 38.487 0.118 0.000 0.993 148 N HN 0.683 nan 8.380 nan 0.000 0.426 149 Q N -0.551 119.125 119.800 -0.206 0.000 2.079 149 Q HA -0.180 4.161 4.340 0.000 0.000 0.200 149 Q C 1.992 177.672 176.000 -0.534 0.000 0.974 149 Q CA 1.028 56.693 55.803 -0.230 0.000 0.840 149 Q CB -0.193 28.503 28.738 -0.070 0.000 0.898 149 Q HN 0.430 nan 8.270 nan 0.000 0.430 150 Y N 0.114 119.772 120.300 -1.069 0.000 2.114 150 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 150 Y C 1.512 176.531 175.900 -1.469 0.000 1.143 150 Y CA 1.921 59.010 58.100 -1.686 0.000 1.135 150 Y CB -0.656 36.864 38.460 -1.566 0.000 0.980 150 Y HN 0.184 nan 8.280 nan 0.000 0.499 151 Y N 0.012 119.694 120.300 -1.030 0.000 2.421 151 Y HA -0.018 4.532 4.550 0.000 0.000 0.292 151 Y C 2.630 178.157 175.900 -0.621 0.000 1.136 151 Y CA 1.188 58.778 58.100 -0.849 0.000 1.255 151 Y CB -0.825 37.159 38.460 -0.792 0.000 0.991 151 Y HN 0.250 nan 8.280 nan 0.000 0.552 152 G N -1.108 107.429 108.800 -0.437 0.000 2.484 152 G HA2 -0.218 3.743 3.960 0.000 0.000 0.218 152 G HA3 -0.218 3.743 3.960 0.000 0.000 0.218 152 G C 1.744 176.459 174.900 -0.309 0.000 1.130 152 G CA 0.979 45.935 45.100 -0.241 0.000 0.784 152 G HN 0.459 nan 8.290 nan 0.000 0.543 153 S N -0.073 115.274 115.700 -0.589 0.000 2.561 153 S HA 0.199 4.669 4.470 0.000 0.000 0.225 153 S C 0.444 174.805 174.600 -0.398 0.000 0.977 153 S CA -0.397 57.536 58.200 -0.445 0.000 0.926 153 S CB -0.342 62.590 63.200 -0.446 0.000 0.769 153 S HN -0.004 nan 8.310 nan 0.000 0.533 154 F N 2.892 122.691 119.950 -0.252 0.000 2.502 154 F HA 0.441 4.968 4.527 0.000 0.000 0.371 154 F C 1.366 177.110 175.800 -0.093 0.000 1.083 154 F CA -1.188 56.701 58.000 -0.184 0.000 1.174 154 F CB 0.670 39.556 39.000 -0.190 0.000 1.096 154 F HN -0.060 nan 8.300 nan 0.000 0.545 155 K N 1.513 121.999 120.400 0.142 0.000 2.026 155 K HA -0.149 4.171 4.320 0.000 0.000 0.208 155 K C 0.608 177.247 176.600 0.065 0.000 1.048 155 K CA 1.378 57.708 56.287 0.073 0.000 0.929 155 K CB -0.199 32.335 32.500 0.057 0.000 0.713 155 K HN 0.500 nan 8.250 nan 0.000 0.439 156 E N 1.039 121.278 120.200 0.064 0.000 2.028 156 E HA 0.378 4.728 4.350 0.000 0.000 0.266 156 E C -0.807 175.807 176.600 0.025 0.000 0.962 156 E CA -0.563 55.850 56.400 0.022 0.000 0.784 156 E CB 0.608 30.299 29.700 -0.015 0.000 1.114 156 E HN 0.120 nan 8.360 nan 0.000 0.414 157 A N 4.349 127.204 122.820 0.059 0.000 2.546 157 A HA 0.037 4.357 4.320 0.000 0.000 0.243 157 A C 0.161 177.764 177.584 0.031 0.000 1.063 157 A CA -0.048 52.045 52.037 0.094 0.000 0.757 157 A CB 0.040 19.097 19.000 0.094 0.000 0.991 157 A HN 0.518 nan 8.150 nan 0.000 0.503 158 K N 3.850 124.277 120.400 0.046 0.000 2.457 158 K HA 0.298 4.618 4.320 0.000 0.000 0.226 158 K C 0.409 177.024 176.600 0.026 0.000 1.114 158 K CA -0.150 56.127 56.287 -0.015 0.000 1.089 158 K CB 0.361 32.808 32.500 -0.089 0.000 1.739 158 K HN 0.726 nan 8.250 nan 0.000 0.473 159 I N 0.654 121.233 120.570 0.015 0.000 2.194 159 I HA -0.350 3.820 4.170 0.000 0.000 0.246 159 I C 1.494 177.564 176.117 -0.078 0.000 1.093 159 I CA 1.425 62.713 61.300 -0.020 0.000 1.355 159 I CB -0.093 37.881 38.000 -0.042 0.000 1.046 159 I HN 0.412 nan 8.210 nan 0.000 0.413 160 E N 1.122 121.281 120.200 -0.068 0.000 2.028 160 E HA -0.206 4.144 4.350 0.000 0.000 0.191 160 E C 2.094 178.640 176.600 -0.091 0.000 0.988 160 E CA 1.197 57.553 56.400 -0.074 0.000 0.799 160 E CB -0.283 29.386 29.700 -0.051 0.000 0.755 160 E HN 0.407 nan 8.360 nan 0.000 0.447 161 E N -0.390 119.757 120.200 -0.087 0.000 2.118 161 E HA -0.205 4.146 4.350 0.000 0.000 0.195 161 E C 1.957 178.357 176.600 -0.333 0.000 0.992 161 E CA 1.376 57.724 56.400 -0.086 0.000 0.804 161 E CB -0.235 29.487 29.700 0.037 0.000 0.741 161 E HN 0.478 nan 8.360 nan 0.000 0.458 162 H N -0.348 118.282 119.070 -0.732 0.000 2.293 162 H HA -0.119 4.437 4.556 0.000 0.000 0.300 162 H C 1.773 176.794 175.328 -0.511 0.000 1.082 162 H CA 0.890 56.257 56.048 -1.134 0.000 1.308 162 H CB 0.110 29.471 29.762 -0.667 0.000 1.375 162 H HN 0.069 nan 8.280 nan 0.000 0.495 163 L N 0.847 121.954 121.223 -0.193 0.000 2.012 163 L HA -0.163 4.178 4.340 0.000 0.000 0.210 163 L C 2.913 179.731 176.870 -0.086 0.000 1.073 163 L CA 1.671 56.416 54.840 -0.158 0.000 0.748 163 L CB -1.781 40.193 42.059 -0.142 0.000 0.891 163 L HN 0.472 nan 8.230 nan 0.000 0.431 164 A N -0.063 122.711 122.820 -0.078 0.000 1.849 164 A HA -0.306 4.015 4.320 0.000 0.000 0.217 164 A C 2.426 180.010 177.584 0.000 0.000 1.202 164 A CA 2.241 54.259 52.037 -0.031 0.000 0.629 164 A CB -0.648 18.342 19.000 -0.017 0.000 0.834 164 A HN 0.329 nan 8.150 nan 0.000 0.447 165 R N -0.188 120.320 120.500 0.014 0.000 2.103 165 R HA -0.120 4.220 4.340 0.000 0.000 0.242 165 R C 1.807 178.156 176.300 0.082 0.000 1.142 165 R CA 2.146 58.308 56.100 0.103 0.000 0.960 165 R CB -1.260 29.202 30.300 0.270 0.000 0.858 165 R HN 0.305 nan 8.270 nan 0.000 0.439 166 V N 0.892 120.840 119.914 0.057 0.000 2.407 166 V HA -0.217 3.903 4.120 0.000 0.000 0.248 166 V C 2.052 178.149 176.094 0.005 0.000 1.055 166 V CA 2.265 64.590 62.300 0.041 0.000 1.049 166 V CB -0.512 31.333 31.823 0.036 0.000 0.662 166 V HN 0.438 nan 8.190 nan 0.000 0.455 167 E N 0.606 120.806 120.200 -0.001 0.000 2.047 167 E HA -0.146 4.205 4.350 0.000 0.000 0.191 167 E C 2.388 178.992 176.600 0.007 0.000 0.987 167 E CA 1.215 57.612 56.400 -0.005 0.000 0.799 167 E CB -0.393 29.301 29.700 -0.010 0.000 0.752 167 E HN 0.577 nan 8.360 nan 0.000 0.449 168 A N 1.240 124.073 122.820 0.023 0.000 1.883 168 A HA -0.179 4.141 4.320 0.000 0.000 0.217 168 A C 2.541 180.146 177.584 0.036 0.000 1.186 168 A CA 1.449 53.509 52.037 0.039 0.000 0.624 168 A CB -0.803 18.235 19.000 0.062 0.000 0.822 168 A HN 0.126 nan 8.150 nan 0.000 0.444 169 V N -0.226 119.697 119.914 0.014 0.000 2.307 169 V HA -0.214 3.906 4.120 0.000 0.000 0.245 169 V C 2.766 178.822 176.094 -0.063 0.000 1.045 169 V CA 2.419 64.687 62.300 -0.053 0.000 1.024 169 V CB -1.265 30.444 31.823 -0.190 0.000 0.651 169 V HN 0.649 nan 8.190 nan 0.000 0.449 170 T N -0.342 114.184 114.554 -0.047 0.000 2.665 170 T HA -0.265 4.085 4.350 0.000 0.000 0.268 170 T C 1.938 176.635 174.700 -0.006 0.000 1.035 170 T CA 1.693 63.774 62.100 -0.032 0.000 1.151 170 T CB -0.226 68.629 68.868 -0.021 0.000 0.862 170 T HN 0.427 nan 8.240 nan 0.000 0.438 171 K N 0.620 121.023 120.400 0.005 0.000 2.025 171 K HA -0.091 4.229 4.320 0.000 0.000 0.207 171 K C 2.525 179.143 176.600 0.031 0.000 1.049 171 K CA 1.261 57.558 56.287 0.017 0.000 0.933 171 K CB -0.175 32.335 32.500 0.017 0.000 0.714 171 K HN 0.449 nan 8.250 nan 0.000 0.438 172 E N 1.095 121.322 120.200 0.045 0.000 2.097 172 E HA -0.214 4.136 4.350 0.000 0.000 0.196 172 E C 1.899 178.546 176.600 0.078 0.000 1.000 172 E CA 1.238 57.680 56.400 0.071 0.000 0.804 172 E CB -0.038 29.729 29.700 0.111 0.000 0.740 172 E HN 0.255 nan 8.360 nan 0.000 0.454 173 I N 0.812 121.424 120.570 0.070 0.000 2.315 173 I HA -0.214 3.957 4.170 0.000 0.000 0.248 173 I C 2.646 178.792 176.117 0.048 0.000 1.117 173 I CA 1.150 62.495 61.300 0.074 0.000 1.404 173 I CB -0.341 37.688 38.000 0.048 0.000 1.071 173 I HN 0.263 nan 8.210 nan 0.000 0.419 174 E N 0.680 120.900 120.200 0.032 0.000 2.106 174 E HA -0.184 4.166 4.350 0.000 0.000 0.192 174 E C 1.934 178.549 176.600 0.026 0.000 0.984 174 E CA 1.772 58.187 56.400 0.024 0.000 0.806 174 E CB 0.146 29.856 29.700 0.017 0.000 0.750 174 E HN 0.422 nan 8.360 nan 0.000 0.458 175 T N -0.481 114.092 114.554 0.031 0.000 2.781 175 T HA -0.098 4.253 4.350 0.000 0.000 0.252 175 T C 1.956 176.674 174.700 0.031 0.000 1.039 175 T CA 1.733 63.850 62.100 0.029 0.000 1.147 175 T CB -0.340 68.546 68.868 0.030 0.000 0.865 175 T HN 0.341 nan 8.240 nan 0.000 0.423 176 T N -1.174 113.404 114.554 0.040 0.000 3.086 176 T HA 0.421 4.771 4.350 0.000 0.000 0.250 176 T C 1.792 176.516 174.700 0.041 0.000 1.074 176 T CA 0.765 62.888 62.100 0.038 0.000 0.988 176 T CB -0.095 68.798 68.868 0.042 0.000 0.988 176 T HN 0.550 nan 8.240 nan 0.000 0.530 177 G N 0.147 108.975 108.800 0.047 0.000 2.189 177 G HA2 -0.255 3.705 3.960 0.000 0.000 0.267 177 G HA3 -0.255 3.705 3.960 0.000 0.000 0.267 177 G C 0.246 175.187 174.900 0.069 0.000 0.975 177 G CA 0.761 45.890 45.100 0.048 0.000 0.644 177 G HN 1.020 nan 8.290 nan 0.000 0.537 178 T N -1.634 112.976 114.554 0.093 0.000 2.626 178 T HA 0.684 5.034 4.350 0.000 0.000 0.299 178 T C -1.571 173.269 174.700 0.234 0.000 1.181 178 T CA 0.391 62.574 62.100 0.137 0.000 1.053 178 T CB 1.354 70.246 68.868 0.039 0.000 1.566 178 T HN 1.587 nan 8.240 nan 0.000 0.486 179 Y N -0.332 119.976 120.300 0.014 0.000 2.624 179 Y HA 0.792 5.342 4.550 0.000 0.000 0.334 179 Y C -1.592 174.326 175.900 0.029 0.000 1.155 179 Y CA -1.128 56.990 58.100 0.030 0.000 1.046 179 Y CB 1.073 39.563 38.460 0.050 0.000 1.316 179 Y HN 0.412 nan 8.280 nan 0.000 0.457 180 Q N 2.339 122.161 119.800 0.035 0.000 2.337 180 Q HA 0.434 4.774 4.340 0.000 0.000 0.266 180 Q C -1.348 174.660 176.000 0.013 0.000 1.023 180 Q CA -1.003 54.758 55.803 -0.069 0.000 0.829 180 Q CB 2.877 31.616 28.738 0.001 0.000 1.306 180 Q HN 0.736 nan 8.270 nan 0.000 0.449 181 L N 1.793 122.983 121.223 -0.055 0.000 2.397 181 L HA 0.211 4.551 4.340 0.000 0.000 0.271 181 L C 1.253 178.133 176.870 0.016 0.000 1.148 181 L CA 0.253 55.107 54.840 0.023 0.000 0.825 181 L CB 0.382 42.411 42.059 -0.050 0.000 1.117 181 L HN 0.715 nan 8.230 nan 0.000 0.456 182 T N -0.778 113.782 114.554 0.011 0.000 2.701 182 T HA 0.238 4.588 4.350 0.000 0.000 0.303 182 T C 1.376 176.057 174.700 -0.032 0.000 1.030 182 T CA -0.106 61.991 62.100 -0.005 0.000 1.010 182 T CB 0.561 69.423 68.868 -0.010 0.000 1.007 182 T HN 0.690 nan 8.240 nan 0.000 0.532 183 G N -0.302 108.487 108.800 -0.019 0.000 2.443 183 G HA2 -0.119 3.841 3.960 0.000 0.000 0.219 183 G HA3 -0.119 3.841 3.960 0.000 0.000 0.219 183 G C 1.275 176.163 174.900 -0.020 0.000 1.131 183 G CA 0.460 45.543 45.100 -0.028 0.000 0.775 183 G HN 0.796 nan 8.290 nan 0.000 0.547 184 D N 0.378 120.776 120.400 -0.003 0.000 2.194 184 D HA -0.011 4.629 4.640 0.000 0.000 0.204 184 D C 2.429 178.739 176.300 0.018 0.000 0.964 184 D CA 0.504 54.538 54.000 0.055 0.000 0.846 184 D CB 0.068 40.951 40.800 0.139 0.000 0.962 184 D HN 0.441 nan 8.370 nan 0.000 0.490 185 E N 0.225 120.297 120.200 -0.215 0.000 2.152 185 E HA -0.129 4.221 4.350 0.000 0.000 0.192 185 E C 2.043 178.705 176.600 0.102 0.000 0.983 185 E CA 0.230 56.467 56.400 -0.271 0.000 0.818 185 E CB 0.102 29.640 29.700 -0.270 0.000 0.758 185 E HN 0.116 nan 8.360 nan 0.000 0.467 186 L N 1.161 122.372 121.223 -0.021 0.000 2.027 186 L HA -0.129 4.211 4.340 0.000 0.000 0.206 186 L C 2.074 178.917 176.870 -0.045 0.000 1.074 186 L CA 1.400 56.180 54.840 -0.100 0.000 0.745 186 L CB -0.145 41.819 42.059 -0.158 0.000 0.898 186 L HN 0.091 nan 8.230 nan 0.000 0.433 187 I N -1.070 119.507 120.570 0.011 0.000 2.163 187 I HA -0.341 3.830 4.170 0.000 0.000 0.243 187 I C 2.422 178.608 176.117 0.116 0.000 1.085 187 I CA 1.862 63.180 61.300 0.030 0.000 1.347 187 I CB -0.532 37.496 38.000 0.045 0.000 1.044 187 I HN 0.356 nan 8.210 nan 0.000 0.408 188 F N 2.065 122.069 119.950 0.090 0.000 2.075 188 F HA -0.230 4.297 4.527 0.000 0.000 0.297 188 F C 2.529 178.418 175.800 0.148 0.000 1.113 188 F CA 1.631 59.730 58.000 0.165 0.000 1.218 188 F CB -0.431 38.745 39.000 0.294 0.000 0.984 188 F HN -0.012 nan 8.300 nan 0.000 0.472 189 A N 0.099 123.006 122.820 0.146 0.000 1.940 189 A HA -0.223 4.097 4.320 0.000 0.000 0.219 189 A C 2.254 179.691 177.584 -0.244 0.000 1.176 189 A CA 2.653 54.640 52.037 -0.084 0.000 0.631 189 A CB -1.690 17.198 19.000 -0.186 0.000 0.814 189 A HN 0.610 nan 8.150 nan 0.000 0.446 190 T N -1.895 112.558 114.554 -0.168 0.000 2.737 190 T HA -0.109 4.242 4.350 0.000 0.000 0.265 190 T C 1.836 176.519 174.700 -0.029 0.000 1.038 190 T CA 1.474 63.505 62.100 -0.115 0.000 1.144 190 T CB -0.324 68.507 68.868 -0.063 0.000 0.866 190 T HN 0.512 nan 8.240 nan 0.000 0.434 191 K N 0.505 120.913 120.400 0.013 0.000 2.147 191 K HA -0.059 4.261 4.320 0.000 0.000 0.205 191 K C 2.632 179.260 176.600 0.046 0.000 1.049 191 K CA 1.276 57.668 56.287 0.175 0.000 0.936 191 K CB -0.173 32.465 32.500 0.229 0.000 0.722 191 K HN 0.261 nan 8.250 nan 0.000 0.446 192 Q N 0.534 120.178 119.800 -0.261 0.000 2.123 192 Q HA 0.004 4.344 4.340 0.000 0.000 0.199 192 Q C 1.817 177.633 176.000 -0.305 0.000 0.966 192 Q CA 1.537 57.096 55.803 -0.406 0.000 0.845 192 Q CB -0.127 28.205 28.738 -0.677 0.000 0.907 192 Q HN 0.312 nan 8.270 nan 0.000 0.439 193 A N -0.801 121.800 122.820 -0.364 0.000 2.015 193 A HA -0.151 4.169 4.320 0.000 0.000 0.219 193 A C 1.738 179.106 177.584 -0.360 0.000 1.163 193 A CA 1.203 52.896 52.037 -0.572 0.000 0.646 193 A CB -0.956 17.313 19.000 -1.218 0.000 0.806 193 A HN 0.658 nan 8.150 nan 0.000 0.448 194 W N 1.106 122.236 121.300 -0.283 0.000 2.379 194 W HA -0.065 4.595 4.660 0.000 0.000 0.307 194 W C 2.167 178.578 176.519 -0.180 0.000 1.200 194 W CA 1.342 58.614 57.345 -0.122 0.000 1.297 194 W CB -0.623 28.797 29.460 -0.067 0.000 1.140 194 W HN 0.302 nan 8.180 nan 0.000 0.507 195 R N -0.062 120.350 120.500 -0.147 0.000 2.120 195 R HA -0.156 4.184 4.340 0.000 0.000 0.234 195 R C 1.253 177.450 176.300 -0.172 0.000 1.123 195 R CA 1.527 57.437 56.100 -0.316 0.000 0.975 195 R CB -0.542 29.419 30.300 -0.564 0.000 0.866 195 R HN 0.093 nan 8.270 nan 0.000 0.446 196 N N 0.237 118.848 118.700 -0.148 0.000 2.362 196 N HA 0.057 4.797 4.740 0.000 0.000 0.204 196 N C -0.704 174.798 175.510 -0.012 0.000 1.166 196 N CA 0.194 53.205 53.050 -0.065 0.000 0.831 196 N CB 0.869 39.355 38.487 -0.001 0.000 1.008 196 N HN 0.110 nan 8.380 nan 0.000 0.472 197 A N 1.752 124.526 122.820 -0.077 0.000 2.506 197 A HA 0.333 4.653 4.320 0.000 0.000 0.320 197 A C -1.281 176.271 177.584 -0.053 0.000 1.424 197 A CA -1.200 50.751 52.037 -0.143 0.000 1.044 197 A CB 0.718 19.671 19.000 -0.078 0.000 1.140 197 A HN -0.027 nan 8.150 nan 0.000 0.538 198 P HA -0.078 nan 4.420 nan 0.000 0.233 198 P C 0.746 178.025 177.300 -0.036 0.000 1.167 198 P CA 0.817 63.904 63.100 -0.021 0.000 0.770 198 P CB 0.246 31.920 31.700 -0.043 0.000 0.837 199 R N -1.293 119.136 120.500 -0.118 0.000 2.359 199 R HA 0.173 4.513 4.340 0.000 0.000 0.231 199 R C 0.422 176.727 176.300 0.008 0.000 0.913 199 R CA -0.156 55.884 56.100 -0.100 0.000 1.075 199 R CB -0.235 29.790 30.300 -0.458 0.000 1.087 199 R HN 0.135 nan 8.270 nan 0.000 0.515 200 C N 0.937 120.233 119.300 -0.006 0.000 2.255 200 C HA 0.340 4.800 4.460 0.000 0.000 0.326 200 C C 1.705 176.697 174.990 0.003 0.000 1.258 200 C CA -0.812 58.229 59.018 0.039 0.000 1.676 200 C CB -0.510 27.295 27.740 0.107 0.000 2.314 200 C HN 0.577 nan 8.230 nan 0.000 0.509 201 I N 4.293 124.832 120.570 -0.052 0.000 3.428 201 I HA 0.164 4.334 4.170 0.000 0.000 0.286 201 I C 1.844 178.014 176.117 0.088 0.000 1.287 201 I CA 1.064 62.289 61.300 -0.125 0.000 1.396 201 I CB 0.093 37.999 38.000 -0.158 0.000 1.062 201 I HN 0.932 nan 8.210 nan 0.000 0.471 202 G N 0.074 108.920 108.800 0.075 0.000 3.233 202 G HA2 0.008 3.968 3.960 0.000 0.000 0.227 202 G HA3 0.008 3.968 3.960 0.000 0.000 0.227 202 G C 1.287 176.163 174.900 -0.041 0.000 1.175 202 G CA -0.348 44.788 45.100 0.060 0.000 0.781 202 G HN 0.285 nan 8.290 nan 0.000 0.542 203 R N -0.216 120.125 120.500 -0.265 0.000 2.341 203 R HA 0.085 4.425 4.340 0.000 0.000 0.213 203 R C 1.960 177.615 176.300 -1.075 0.000 1.082 203 R CA 0.251 55.785 56.100 -0.944 0.000 1.017 203 R CB -0.190 29.420 30.300 -1.150 0.000 0.860 203 R HN 0.438 nan 8.270 nan 0.000 0.473 204 I N 0.775 121.004 120.570 -0.569 0.000 2.614 204 I HA -0.216 3.954 4.170 0.000 0.000 0.258 204 I C 1.334 177.312 176.117 -0.232 0.000 1.189 204 I CA 1.162 62.350 61.300 -0.186 0.000 1.462 204 I CB 0.182 38.201 38.000 0.031 0.000 1.092 204 I HN 0.177 nan 8.210 nan 0.000 0.442 205 Q N 0.605 120.180 119.800 -0.374 0.000 2.365 205 Q HA -0.088 4.253 4.340 0.000 0.000 0.203 205 Q C 1.563 177.066 176.000 -0.829 0.000 0.929 205 Q CA 0.232 55.822 55.803 -0.355 0.000 0.948 205 Q CB -0.165 28.574 28.738 0.001 0.000 1.043 205 Q HN 0.765 nan 8.270 nan 0.000 0.505 206 W N 1.084 121.564 121.300 -1.366 0.000 2.313 206 W HA -0.237 4.423 4.660 0.000 0.000 0.293 206 W C 1.168 177.445 176.519 -0.402 0.000 1.216 206 W CA 1.530 58.009 57.345 -1.442 0.000 1.223 206 W CB -1.278 27.541 29.460 -1.070 0.000 1.138 206 W HN 0.159 nan 8.180 nan 0.000 0.535 207 S N -0.042 114.996 115.700 -1.103 0.000 2.528 207 S HA 0.020 4.490 4.470 0.000 0.000 0.219 207 S C 0.454 174.868 174.600 -0.309 0.000 0.985 207 S CA 0.036 57.741 58.200 -0.825 0.000 0.914 207 S CB -0.890 61.597 63.200 -1.187 0.000 0.776 207 S HN 0.340 nan 8.310 nan 0.000 0.526 208 N N 1.416 120.019 118.700 -0.163 0.000 2.949 208 N HA 0.494 5.234 4.740 0.000 0.000 0.243 208 N C -1.585 174.031 175.510 0.176 0.000 1.113 208 N CA -0.284 52.777 53.050 0.019 0.000 0.980 208 N CB 0.788 39.317 38.487 0.070 0.000 1.256 208 N HN 0.205 nan 8.380 nan 0.000 0.508 209 L N 1.980 123.271 121.223 0.113 0.000 2.439 209 L HA 0.303 4.644 4.340 0.000 0.000 0.270 209 L C -0.888 175.937 176.870 -0.074 0.000 0.972 209 L CA -0.767 54.121 54.840 0.079 0.000 0.836 209 L CB 1.825 43.975 42.059 0.153 0.000 1.255 209 L HN 0.228 nan 8.230 nan 0.000 0.404 210 Q N 3.552 123.249 119.800 -0.171 0.000 2.307 210 Q HA 0.495 4.835 4.340 0.000 0.000 0.259 210 Q C -1.564 174.080 176.000 -0.593 0.000 0.998 210 Q CA -0.123 55.396 55.803 -0.473 0.000 0.923 210 Q CB 1.171 29.424 28.738 -0.808 0.000 1.196 210 Q HN 0.512 nan 8.270 nan 0.000 0.416 211 V N 6.334 125.924 119.914 -0.539 0.000 2.333 211 V HA 0.347 4.467 4.120 0.000 0.000 0.274 211 V C -0.639 175.144 176.094 -0.517 0.000 1.028 211 V CA -0.525 61.519 62.300 -0.427 0.000 0.851 211 V CB -0.003 31.671 31.823 -0.249 0.000 1.000 211 V HN 0.661 nan 8.190 nan 0.000 0.456 212 F N 2.862 122.610 119.950 -0.337 0.000 2.390 212 F HA 0.328 4.856 4.527 0.000 0.000 0.361 212 F C 0.676 176.281 175.800 -0.324 0.000 1.124 212 F CA -0.730 57.076 58.000 -0.322 0.000 1.149 212 F CB 0.755 39.539 39.000 -0.359 0.000 1.160 212 F HN 0.430 nan 8.300 nan 0.000 0.501 213 D N 3.459 123.802 120.400 -0.094 0.000 2.336 213 D HA 0.359 4.999 4.640 0.000 0.000 0.249 213 D C 0.078 176.266 176.300 -0.187 0.000 1.213 213 D CA 0.168 54.084 54.000 -0.140 0.000 0.870 213 D CB 1.080 41.826 40.800 -0.090 0.000 1.076 213 D HN 0.609 nan 8.370 nan 0.000 0.483 214 A N 4.416 127.034 122.820 -0.336 0.000 2.676 214 A HA 0.188 4.508 4.320 0.000 0.000 0.297 214 A C 1.476 178.940 177.584 -0.200 0.000 1.132 214 A CA -0.413 51.330 52.037 -0.490 0.000 0.972 214 A CB 0.152 18.453 19.000 -1.166 0.000 1.197 214 A HN 0.491 nan 8.150 nan 0.000 0.524 215 R N 0.289 120.721 120.500 -0.114 0.000 2.280 215 R HA -0.056 4.284 4.340 0.000 0.000 0.207 215 R C 1.827 178.074 176.300 -0.088 0.000 1.043 215 R CA 1.366 57.424 56.100 -0.071 0.000 1.006 215 R CB -0.031 30.266 30.300 -0.006 0.000 0.885 215 R HN 0.579 nan 8.270 nan 0.000 0.467 216 S N -0.641 115.038 115.700 -0.037 0.000 2.489 216 S HA -0.035 4.435 4.470 0.000 0.000 0.228 216 S C 1.122 175.730 174.600 0.012 0.000 0.995 216 S CA -0.289 57.911 58.200 -0.001 0.000 0.934 216 S CB -0.298 62.929 63.200 0.045 0.000 0.771 216 S HN 0.291 nan 8.310 nan 0.000 0.522 217 C N 3.307 122.626 119.300 0.031 0.000 2.568 217 C HA 0.222 4.682 4.460 0.000 0.000 0.401 217 C C 1.913 176.915 174.990 0.019 0.000 1.338 217 C CA 0.885 59.956 59.018 0.089 0.000 1.721 217 C CB -0.023 27.808 27.740 0.152 0.000 2.624 217 C HN 0.753 nan 8.230 nan 0.000 0.614 218 S N 0.504 116.356 115.700 0.253 0.000 2.612 218 S HA 0.189 4.660 4.470 0.000 0.000 0.278 218 S C 0.118 174.933 174.600 0.359 0.000 1.082 218 S CA 0.386 58.812 58.200 0.377 0.000 1.185 218 S CB 0.061 63.378 63.200 0.196 0.000 1.077 218 S HN 0.992 nan 8.310 nan 0.000 0.585 219 T N -1.207 113.502 114.554 0.259 0.000 2.916 219 T HA 0.845 5.196 4.350 0.000 0.000 0.292 219 T C 1.186 175.937 174.700 0.086 0.000 1.055 219 T CA -0.186 61.995 62.100 0.136 0.000 1.009 219 T CB 1.553 70.480 68.868 0.099 0.000 1.118 219 T HN 0.276 nan 8.240 nan 0.000 0.497 220 A N 1.352 124.191 122.820 0.032 0.000 1.940 220 A HA -0.067 4.253 4.320 0.000 0.000 0.219 220 A C 2.339 179.821 177.584 -0.171 0.000 1.176 220 A CA 1.997 54.025 52.037 -0.016 0.000 0.631 220 A CB -0.893 18.195 19.000 0.146 0.000 0.814 220 A HN 0.868 nan 8.150 nan 0.000 0.446 221 R N 0.357 120.861 120.500 0.005 0.000 2.081 221 R HA -0.118 4.223 4.340 0.000 0.000 0.235 221 R C 1.858 178.137 176.300 -0.035 0.000 1.131 221 R CA 2.157 58.234 56.100 -0.037 0.000 0.960 221 R CB -0.641 29.756 30.300 0.161 0.000 0.856 221 R HN 0.680 nan 8.270 nan 0.000 0.436 222 E N -0.333 119.874 120.200 0.013 0.000 2.077 222 E HA -0.203 4.147 4.350 0.000 0.000 0.193 222 E C 2.037 178.682 176.600 0.074 0.000 0.989 222 E CA 1.813 58.219 56.400 0.010 0.000 0.800 222 E CB -0.159 29.590 29.700 0.081 0.000 0.746 222 E HN 0.364 nan 8.360 nan 0.000 0.452 223 M N -0.071 119.583 119.600 0.090 0.000 2.108 223 M HA -0.176 4.305 4.480 0.000 0.000 0.261 223 M C 2.202 178.558 176.300 0.094 0.000 1.066 223 M CA 1.311 56.676 55.300 0.110 0.000 1.107 223 M CB -0.332 32.089 32.600 -0.299 0.000 1.356 223 M HN 0.137 nan 8.290 nan 0.000 0.406 224 F N 1.577 121.320 119.950 -0.345 0.000 2.095 224 F HA -0.220 4.307 4.527 0.000 0.000 0.298 224 F C 2.094 177.786 175.800 -0.180 0.000 1.104 224 F CA 1.877 59.626 58.000 -0.419 0.000 1.232 224 F CB -0.353 38.087 39.000 -0.933 0.000 0.987 224 F HN 0.159 nan 8.300 nan 0.000 0.475 225 E N -1.061 118.949 120.200 -0.317 0.000 2.072 225 E HA -0.218 4.132 4.350 0.000 0.000 0.191 225 E C 2.036 178.467 176.600 -0.281 0.000 0.985 225 E CA 1.543 57.709 56.400 -0.389 0.000 0.801 225 E CB -0.528 29.026 29.700 -0.243 0.000 0.750 225 E HN 0.630 nan 8.360 nan 0.000 0.452 226 H N 0.590 119.585 119.070 -0.126 0.000 2.353 226 H HA -0.080 4.477 4.556 0.000 0.000 0.300 226 H C 2.192 177.404 175.328 -0.193 0.000 1.090 226 H CA 1.252 57.219 56.048 -0.136 0.000 1.327 226 H CB 0.035 29.813 29.762 0.027 0.000 1.383 226 H HN 0.077 nan 8.280 nan 0.000 0.508 227 I N -0.234 120.356 120.570 0.033 0.000 2.226 227 I HA -0.313 3.857 4.170 0.000 0.000 0.245 227 I C 2.075 178.083 176.117 -0.182 0.000 1.100 227 I CA 0.770 62.040 61.300 -0.050 0.000 1.374 227 I CB -0.159 37.843 38.000 0.004 0.000 1.057 227 I HN 0.432 nan 8.210 nan 0.000 0.413 228 C N 0.145 119.252 119.300 -0.322 0.000 2.435 228 C HA -0.107 4.353 4.460 0.000 0.000 0.279 228 C C 2.915 177.781 174.990 -0.206 0.000 1.321 228 C CA 0.637 59.467 59.018 -0.314 0.000 1.752 228 C CB -1.229 26.214 27.740 -0.495 0.000 1.959 228 C HN 0.483 nan 8.230 nan 0.000 0.500 229 R N 0.471 120.831 120.500 -0.233 0.000 2.070 229 R HA -0.170 4.170 4.340 0.000 0.000 0.233 229 R C 2.224 178.382 176.300 -0.237 0.000 1.137 229 R CA 1.943 57.902 56.100 -0.236 0.000 0.945 229 R CB -0.781 29.320 30.300 -0.331 0.000 0.845 229 R HN 0.748 nan 8.270 nan 0.000 0.430 230 H N -0.385 118.380 119.070 -0.508 0.000 2.265 230 H HA -0.145 4.411 4.556 0.000 0.000 0.295 230 H C 1.951 177.271 175.328 -0.013 0.000 1.084 230 H CA 2.073 57.911 56.048 -0.349 0.000 1.261 230 H CB 0.049 29.646 29.762 -0.275 0.000 1.360 230 H HN 0.105 nan 8.280 nan 0.000 0.487 231 V N 1.026 120.965 119.914 0.041 0.000 2.324 231 V HA -0.312 3.808 4.120 0.000 0.000 0.250 231 V C 2.627 178.752 176.094 0.052 0.000 1.060 231 V CA 2.343 64.639 62.300 -0.007 0.000 1.042 231 V CB -0.671 31.097 31.823 -0.093 0.000 0.650 231 V HN 0.452 nan 8.190 nan 0.000 0.450 232 R N -1.332 119.190 120.500 0.037 0.000 2.092 232 R HA -0.194 4.146 4.340 0.000 0.000 0.231 232 R C 2.367 178.723 176.300 0.093 0.000 1.119 232 R CA 1.778 57.904 56.100 0.043 0.000 0.970 232 R CB -0.401 29.909 30.300 0.017 0.000 0.864 232 R HN 0.618 nan 8.270 nan 0.000 0.440 233 Y N 0.887 121.240 120.300 0.088 0.000 2.070 233 Y HA -0.171 4.380 4.550 0.000 0.000 0.279 233 Y C 2.338 178.338 175.900 0.167 0.000 1.134 233 Y CA 2.262 60.462 58.100 0.167 0.000 1.113 233 Y CB -0.462 38.205 38.460 0.344 0.000 0.981 233 Y HN 0.018 nan 8.280 nan 0.000 0.487 234 S N -0.442 115.400 115.700 0.237 0.000 2.382 234 S HA -0.196 4.275 4.470 0.000 0.000 0.228 234 S C 1.878 176.506 174.600 0.046 0.000 1.027 234 S CA 1.725 60.019 58.200 0.157 0.000 0.991 234 S CB -0.698 62.728 63.200 0.376 0.000 0.823 234 S HN 0.602 nan 8.310 nan 0.000 0.469 235 T N 1.726 116.309 114.554 0.049 0.000 2.777 235 T HA -0.079 4.272 4.350 0.000 0.000 0.266 235 T C 1.045 175.738 174.700 -0.011 0.000 1.040 235 T CA 1.113 63.233 62.100 0.033 0.000 1.141 235 T CB -0.648 68.237 68.868 0.029 0.000 0.868 235 T HN 0.474 nan 8.240 nan 0.000 0.444 236 N N 2.011 120.677 118.700 -0.057 0.000 2.701 236 N HA -0.295 4.445 4.740 0.000 0.000 0.252 236 N C 0.205 175.685 175.510 -0.050 0.000 1.002 236 N CA 0.988 53.985 53.050 -0.089 0.000 0.758 236 N CB -2.139 36.245 38.487 -0.173 0.000 0.937 236 N HN 0.682 nan 8.380 nan 0.000 0.538 237 N N -1.979 116.704 118.700 -0.029 0.000 2.741 237 N HA -0.254 4.486 4.740 0.000 0.000 0.250 237 N C 0.905 176.399 175.510 -0.026 0.000 1.115 237 N CA 1.363 54.399 53.050 -0.025 0.000 0.724 237 N CB -1.248 37.223 38.487 -0.027 0.000 1.090 237 N HN 1.118 nan 8.380 nan 0.000 0.558 238 G N -0.340 108.450 108.800 -0.016 0.000 2.339 238 G HA2 -0.269 3.691 3.960 0.000 0.000 0.209 238 G HA3 -0.269 3.691 3.960 0.000 0.000 0.209 238 G C -0.024 174.870 174.900 -0.010 0.000 1.015 238 G CA 0.182 45.275 45.100 -0.011 0.000 0.635 238 G HN 0.525 nan 8.290 nan 0.000 0.499 239 N N 2.650 121.329 118.700 -0.035 0.000 3.050 239 N HA 0.387 5.127 4.740 0.000 0.000 0.289 239 N C 0.493 175.981 175.510 -0.037 0.000 1.209 239 N CA -0.587 52.428 53.050 -0.058 0.000 1.154 239 N CB 0.308 38.754 38.487 -0.069 0.000 1.444 239 N HN 0.316 nan 8.380 nan 0.000 0.529 240 I N 1.329 121.911 120.570 0.020 0.000 2.919 240 I HA -0.112 4.058 4.170 0.000 0.000 0.303 240 I C 0.941 177.170 176.117 0.187 0.000 1.221 240 I CA 1.022 62.398 61.300 0.126 0.000 1.444 240 I CB -0.162 37.997 38.000 0.265 0.000 1.331 240 I HN 0.374 nan 8.210 nan 0.000 0.572 241 R N 3.365 123.971 120.500 0.177 0.000 2.795 241 R HA 0.487 4.827 4.340 0.000 0.000 0.275 241 R C -0.638 175.828 176.300 0.277 0.000 0.981 241 R CA -0.742 55.487 56.100 0.216 0.000 0.917 241 R CB 2.145 32.429 30.300 -0.025 0.000 1.202 241 R HN 0.573 nan 8.270 nan 0.000 0.469 242 S N 0.691 116.548 115.700 0.262 0.000 2.562 242 S HA 0.750 5.220 4.470 0.000 0.000 0.275 242 S C -0.659 174.024 174.600 0.138 0.000 1.281 242 S CA -0.556 57.711 58.200 0.112 0.000 1.045 242 S CB 1.672 64.839 63.200 -0.056 0.000 0.962 242 S HN 0.687 nan 8.310 nan 0.000 0.503 243 A N 2.016 124.875 122.820 0.064 0.000 2.601 243 A HA 0.803 5.124 4.320 0.000 0.000 0.291 243 A C -1.524 175.962 177.584 -0.163 0.000 1.075 243 A CA -0.635 51.331 52.037 -0.118 0.000 0.671 243 A CB 1.036 19.949 19.000 -0.144 0.000 1.277 243 A HN 0.809 nan 8.150 nan 0.000 0.417 244 I N 0.321 120.738 120.570 -0.255 0.000 2.686 244 I HA 0.656 4.826 4.170 0.000 0.000 0.295 244 I C -1.093 174.941 176.117 -0.137 0.000 1.114 244 I CA -0.209 61.039 61.300 -0.086 0.000 1.038 244 I CB 2.434 40.399 38.000 -0.058 0.000 1.238 244 I HN 0.590 nan 8.210 nan 0.000 0.420 245 T N 6.387 120.905 114.554 -0.060 0.000 2.809 245 T HA 0.398 4.748 4.350 0.000 0.000 0.296 245 T C -0.626 173.834 174.700 -0.400 0.000 1.015 245 T CA -0.342 61.623 62.100 -0.225 0.000 0.954 245 T CB 1.175 69.886 68.868 -0.261 0.000 0.950 245 T HN 0.267 nan 8.240 nan 0.000 0.450 246 V N 5.238 124.921 119.914 -0.385 0.000 2.364 246 V HA 0.436 4.556 4.120 0.000 0.000 0.272 246 V C -0.107 175.781 176.094 -0.343 0.000 1.036 246 V CA -0.770 61.349 62.300 -0.301 0.000 0.880 246 V CB -0.302 31.353 31.823 -0.280 0.000 0.991 246 V HN 0.664 nan 8.190 nan 0.000 0.460 247 F N 5.437 125.408 119.950 0.035 0.000 2.348 247 F HA 0.486 5.013 4.527 0.000 0.000 0.308 247 F C -1.771 174.015 175.800 -0.022 0.000 1.175 247 F CA -2.321 55.654 58.000 -0.041 0.000 1.080 247 F CB 0.094 39.117 39.000 0.039 0.000 1.341 247 F HN 0.293 nan 8.300 nan 0.000 0.518 248 P HA 0.011 nan 4.420 nan 0.000 0.266 248 P C -1.080 176.152 177.300 -0.113 0.000 1.195 248 P CA -0.181 62.804 63.100 -0.191 0.000 0.768 248 P CB 0.211 31.542 31.700 -0.614 0.000 0.838 249 Q N 2.987 122.593 119.800 -0.324 0.000 2.421 249 Q HA 0.106 4.446 4.340 0.000 0.000 0.255 249 Q C 0.096 175.909 176.000 -0.313 0.000 1.013 249 Q CA -0.517 54.848 55.803 -0.729 0.000 0.895 249 Q CB 0.723 28.784 28.738 -1.128 0.000 1.271 249 Q HN 0.323 nan 8.270 nan 0.000 0.460 250 R N 1.386 121.724 120.500 -0.270 0.000 2.522 250 R HA -0.003 4.337 4.340 0.000 0.000 0.284 250 R C 0.115 176.365 176.300 -0.083 0.000 1.032 250 R CA 0.744 56.792 56.100 -0.088 0.000 1.049 250 R CB 0.531 30.790 30.300 -0.068 0.000 0.956 250 R HN 0.954 nan 8.270 nan 0.000 0.422 251 S N 2.691 118.394 115.700 0.004 0.000 2.500 251 S HA -0.050 4.421 4.470 0.000 0.000 0.174 251 S C 0.803 175.421 174.600 0.030 0.000 0.857 251 S CA 0.341 58.547 58.200 0.010 0.000 0.905 251 S CB -0.146 63.081 63.200 0.045 0.000 0.819 251 S HN 0.828 nan 8.310 nan 0.000 0.557 252 D N 0.027 120.477 120.400 0.083 0.000 2.369 252 D HA 0.315 4.955 4.640 0.000 0.000 0.211 252 D C 1.358 177.683 176.300 0.041 0.000 1.077 252 D CA 0.633 54.673 54.000 0.068 0.000 0.842 252 D CB -0.204 40.659 40.800 0.105 0.000 0.947 252 D HN 0.815 nan 8.370 nan 0.000 0.509 253 G N 0.983 109.809 108.800 0.043 0.000 2.205 253 G HA2 -0.355 3.605 3.960 0.000 0.000 0.261 253 G HA3 -0.355 3.605 3.960 0.000 0.000 0.261 253 G C 0.992 175.874 174.900 -0.030 0.000 0.980 253 G CA 0.433 45.537 45.100 0.008 0.000 0.632 253 G HN 0.447 nan 8.290 nan 0.000 0.533 254 K N -0.334 120.027 120.400 -0.065 0.000 2.358 254 K HA 0.240 4.560 4.320 0.000 0.000 0.197 254 K C 0.400 176.685 176.600 -0.525 0.000 1.025 254 K CA 0.298 56.427 56.287 -0.263 0.000 1.104 254 K CB 0.337 32.651 32.500 -0.309 0.000 0.855 254 K HN 0.582 nan 8.250 nan 0.000 0.531 255 H N 0.298 119.370 119.070 0.004 0.000 2.790 255 H HA 0.164 4.720 4.556 0.000 0.000 0.232 255 H C -1.171 174.164 175.328 0.011 0.000 1.313 255 H CA -0.709 55.333 56.048 -0.009 0.000 1.011 255 H CB 0.360 30.148 29.762 0.043 0.000 2.105 255 H HN -0.019 nan 8.280 nan 0.000 0.580 256 D N 0.478 120.912 120.400 0.056 0.000 2.382 256 D HA 0.050 4.691 4.640 0.000 0.000 0.245 256 D C -0.217 176.096 176.300 0.021 0.000 1.120 256 D CA 0.256 54.323 54.000 0.111 0.000 0.890 256 D CB 0.687 41.533 40.800 0.078 0.000 1.201 256 D HN 0.168 nan 8.370 nan 0.000 0.433 257 F N 2.269 122.243 119.950 0.041 0.000 2.334 257 F HA 0.378 4.905 4.527 0.000 0.000 0.367 257 F C 0.795 176.606 175.800 0.018 0.000 1.115 257 F CA -0.496 57.490 58.000 -0.023 0.000 1.116 257 F CB 0.690 39.666 39.000 -0.041 0.000 1.230 257 F HN -0.100 nan 8.300 nan 0.000 0.484 258 R N 1.743 122.314 120.500 0.118 0.000 2.725 258 R HA 0.678 5.018 4.340 0.000 0.000 0.277 258 R C -1.614 174.813 176.300 0.212 0.000 0.987 258 R CA -1.152 55.060 56.100 0.188 0.000 0.901 258 R CB 2.660 33.087 30.300 0.212 0.000 1.207 258 R HN 0.227 nan 8.270 nan 0.000 0.463 259 V N 2.389 122.434 119.914 0.219 0.000 2.383 259 V HA 0.086 4.206 4.120 0.000 0.000 0.275 259 V C 0.185 176.504 176.094 0.375 0.000 1.036 259 V CA -0.373 62.063 62.300 0.227 0.000 0.889 259 V CB 0.920 32.830 31.823 0.145 0.000 0.985 259 V HN 0.795 nan 8.190 nan 0.000 0.459 260 W N 2.311 123.695 121.300 0.140 0.000 2.425 260 W HA -0.017 4.644 4.660 0.000 0.000 0.277 260 W C 1.060 177.710 176.519 0.219 0.000 1.231 260 W CA -0.272 57.242 57.345 0.283 0.000 1.248 260 W CB -0.842 28.914 29.460 0.494 0.000 1.117 260 W HN 0.531 nan 8.180 nan 0.000 0.568 261 N N 0.004 118.850 118.700 0.244 0.000 2.441 261 N HA 0.203 4.943 4.740 0.000 0.000 0.251 261 N C 1.134 176.536 175.510 -0.181 0.000 1.242 261 N CA 0.818 53.712 53.050 -0.260 0.000 0.898 261 N CB 0.604 39.004 38.487 -0.145 0.000 1.100 261 N HN -0.047 nan 8.380 nan 0.000 0.443 262 A N 1.188 123.846 122.820 -0.271 0.000 1.898 262 A HA -0.019 4.301 4.320 0.000 0.000 0.214 262 A C 0.391 177.881 177.584 -0.157 0.000 1.183 262 A CA 1.308 53.256 52.037 -0.149 0.000 0.622 262 A CB -0.001 18.937 19.000 -0.103 0.000 0.824 262 A HN 0.665 nan 8.150 nan 0.000 0.444 263 Q N -2.041 117.650 119.800 -0.181 0.000 2.399 263 Q HA 0.584 4.924 4.340 0.000 0.000 0.276 263 Q C 0.307 176.179 176.000 -0.214 0.000 1.098 263 Q CA -0.656 55.036 55.803 -0.186 0.000 0.827 263 Q CB 1.458 30.114 28.738 -0.135 0.000 1.386 263 Q HN 0.114 nan 8.270 nan 0.000 0.443 264 L N 0.427 121.510 121.223 -0.233 0.000 2.027 264 L HA 0.160 4.500 4.340 0.000 0.000 0.206 264 L C 0.149 176.858 176.870 -0.268 0.000 1.074 264 L CA 1.572 56.280 54.840 -0.219 0.000 0.745 264 L CB 0.058 41.966 42.059 -0.252 0.000 0.898 264 L HN 0.590 nan 8.230 nan 0.000 0.433 265 I N -0.761 119.563 120.570 -0.410 0.000 2.406 265 I HA 0.440 4.611 4.170 0.000 0.000 0.290 265 I C -0.363 175.188 176.117 -0.944 0.000 0.999 265 I CA -0.720 60.181 61.300 -0.665 0.000 1.124 265 I CB 1.760 39.261 38.000 -0.830 0.000 1.289 265 I HN -0.015 nan 8.210 nan 0.000 0.441 266 R N 4.686 124.732 120.500 -0.756 0.000 2.634 266 R HA 0.455 4.795 4.340 0.000 0.000 0.263 266 R C -1.951 174.143 176.300 -0.343 0.000 1.060 266 R CA -0.720 55.064 56.100 -0.528 0.000 0.898 266 R CB 1.148 31.316 30.300 -0.219 0.000 1.253 266 R HN 0.314 nan 8.270 nan 0.000 0.461 267 Y N 1.222 121.523 120.300 0.003 0.000 2.307 267 Y HA 0.665 5.215 4.550 0.000 0.000 0.324 267 Y C 0.916 176.843 175.900 0.044 0.000 1.238 267 Y CA -0.240 57.906 58.100 0.076 0.000 1.280 267 Y CB 1.205 39.812 38.460 0.246 0.000 1.248 267 Y HN 0.731 nan 8.280 nan 0.000 0.508 268 A N 0.814 123.742 122.820 0.180 0.000 2.304 268 A HA 0.716 5.036 4.320 0.000 0.000 0.271 268 A C 0.321 177.769 177.584 -0.226 0.000 1.091 268 A CA 0.141 52.116 52.037 -0.104 0.000 0.812 268 A CB -0.047 18.825 19.000 -0.214 0.000 1.056 268 A HN 0.905 nan 8.150 nan 0.000 0.489 269 G N -0.420 108.146 108.800 -0.389 0.000 2.643 269 G HA2 0.587 4.548 3.960 0.000 0.000 0.305 269 G HA3 0.587 4.548 3.960 0.000 0.000 0.305 269 G C -1.481 173.193 174.900 -0.376 0.000 1.387 269 G CA -0.267 44.663 45.100 -0.284 0.000 0.982 269 G HN 0.514 nan 8.290 nan 0.000 0.501 270 Y N 0.194 120.550 120.300 0.094 0.000 2.425 270 Y HA 0.466 5.017 4.550 0.000 0.000 0.344 270 Y C 0.348 176.308 175.900 0.100 0.000 0.969 270 Y CA -0.944 57.230 58.100 0.124 0.000 1.052 270 Y CB 2.462 41.053 38.460 0.218 0.000 1.215 270 Y HN 0.457 nan 8.280 nan 0.000 0.451 271 Q N 4.134 124.079 119.800 0.241 0.000 2.337 271 Q HA 0.305 4.645 4.340 0.000 0.000 0.255 271 Q C -0.665 175.421 176.000 0.144 0.000 0.997 271 Q CA -0.714 55.176 55.803 0.146 0.000 0.925 271 Q CB 0.580 29.377 28.738 0.100 0.000 1.212 271 Q HN 0.604 nan 8.270 nan 0.000 0.436 272 M N 4.642 124.300 119.600 0.097 0.000 2.198 272 M HA 0.127 4.607 4.480 0.000 0.000 0.315 272 M C -1.590 174.709 176.300 -0.002 0.000 1.134 272 M CA -2.253 53.062 55.300 0.025 0.000 1.171 272 M CB -0.599 31.998 32.600 -0.006 0.000 1.413 272 M HN 0.409 nan 8.290 nan 0.000 0.467 273 P HA -0.157 nan 4.420 nan 0.000 0.218 273 P C 0.502 177.788 177.300 -0.023 0.000 1.148 273 P CA 1.298 64.374 63.100 -0.040 0.000 0.822 273 P CB -0.026 31.631 31.700 -0.072 0.000 0.784 274 D N -2.066 118.320 120.400 -0.024 0.000 2.349 274 D HA 0.050 4.690 4.640 0.000 0.000 0.224 274 D C 1.482 177.781 176.300 -0.002 0.000 1.029 274 D CA 0.807 54.798 54.000 -0.015 0.000 0.879 274 D CB -0.640 40.148 40.800 -0.019 0.000 0.906 274 D HN 0.257 nan 8.370 nan 0.000 0.528 275 G N 0.284 109.088 108.800 0.007 0.000 2.279 275 G HA2 -0.297 3.664 3.960 0.000 0.000 0.223 275 G HA3 -0.297 3.664 3.960 0.000 0.000 0.223 275 G C 0.571 175.485 174.900 0.023 0.000 1.015 275 G CA 0.306 45.415 45.100 0.016 0.000 0.621 275 G HN 0.749 nan 8.290 nan 0.000 0.506 276 S N 0.980 116.691 115.700 0.018 0.000 2.598 276 S HA 0.613 5.083 4.470 0.000 0.000 0.256 276 S C 0.285 174.909 174.600 0.041 0.000 1.350 276 S CA 0.167 58.381 58.200 0.022 0.000 0.984 276 S CB 1.085 64.293 63.200 0.013 0.000 0.930 276 S HN 0.694 nan 8.310 nan 0.000 0.577 277 I N 0.633 121.227 120.570 0.040 0.000 2.545 277 I HA 0.510 4.680 4.170 0.000 0.000 0.292 277 I C 0.125 176.277 176.117 0.058 0.000 1.040 277 I CA -0.463 60.871 61.300 0.056 0.000 1.068 277 I CB 1.812 39.826 38.000 0.024 0.000 1.251 277 I HN 0.776 nan 8.210 nan 0.000 0.424 278 R N 2.334 122.908 120.500 0.123 0.000 2.637 278 R HA 0.697 5.037 4.340 0.000 0.000 0.291 278 R C 0.269 176.636 176.300 0.113 0.000 0.963 278 R CA 0.299 56.477 56.100 0.131 0.000 0.901 278 R CB 1.889 32.316 30.300 0.212 0.000 1.160 278 R HN 0.932 nan 8.270 nan 0.000 0.457 279 G N 2.344 111.147 108.800 0.005 0.000 2.593 279 G HA2 -0.283 3.677 3.960 0.000 0.000 0.237 279 G HA3 -0.283 3.677 3.960 0.000 0.000 0.237 279 G C -1.059 173.661 174.900 -0.300 0.000 1.312 279 G CA 0.011 45.072 45.100 -0.065 0.000 0.896 279 G HN 0.678 nan 8.290 nan 0.000 0.574 280 D N 1.402 121.682 120.400 -0.200 0.000 2.359 280 D HA 0.448 5.088 4.640 0.000 0.000 0.250 280 D C -0.714 175.516 176.300 -0.116 0.000 1.264 280 D CA -1.813 52.041 54.000 -0.243 0.000 0.911 280 D CB 0.962 41.887 40.800 0.207 0.000 1.056 280 D HN 0.025 nan 8.370 nan 0.000 0.499 281 P HA -0.084 nan 4.420 nan 0.000 0.219 281 P C 0.861 178.161 177.300 -0.000 0.000 1.146 281 P CA 0.970 64.037 63.100 -0.055 0.000 0.808 281 P CB 0.252 31.918 31.700 -0.055 0.000 0.779 282 A N -0.804 122.032 122.820 0.026 0.000 2.066 282 A HA -0.120 4.201 4.320 0.000 0.000 0.218 282 A C 1.971 179.598 177.584 0.072 0.000 1.157 282 A CA 1.431 53.507 52.037 0.065 0.000 0.670 282 A CB -1.101 17.959 19.000 0.099 0.000 0.804 282 A HN 0.107 nan 8.150 nan 0.000 0.453 283 N N -0.658 118.078 118.700 0.061 0.000 2.268 283 N HA 0.127 4.867 4.740 0.000 0.000 0.204 283 N C 1.118 176.647 175.510 0.031 0.000 1.124 283 N CA 0.242 53.330 53.050 0.064 0.000 0.838 283 N CB 0.062 38.593 38.487 0.074 0.000 0.994 283 N HN 0.129 nan 8.380 nan 0.000 0.489 284 V N 0.473 120.394 119.914 0.012 0.000 2.255 284 V HA -0.224 3.896 4.120 0.000 0.000 0.247 284 V C 2.360 178.454 176.094 0.001 0.000 1.051 284 V CA 1.771 64.069 62.300 -0.004 0.000 1.018 284 V CB -0.414 31.418 31.823 0.016 0.000 0.641 284 V HN 0.480 nan 8.190 nan 0.000 0.445 285 E N -0.302 119.909 120.200 0.017 0.000 2.038 285 E HA -0.293 4.057 4.350 0.000 0.000 0.195 285 E C 2.188 178.727 176.600 -0.101 0.000 1.000 285 E CA 2.075 58.462 56.400 -0.021 0.000 0.803 285 E CB -0.257 29.456 29.700 0.022 0.000 0.750 285 E HN 0.547 nan 8.360 nan 0.000 0.448 286 F N 1.510 121.311 119.950 -0.249 0.000 2.146 286 F HA -0.142 4.386 4.527 0.000 0.000 0.298 286 F C 2.430 178.101 175.800 -0.214 0.000 1.096 286 F CA 1.920 59.714 58.000 -0.342 0.000 1.275 286 F CB -0.494 38.343 39.000 -0.271 0.000 1.008 286 F HN -0.015 nan 8.300 nan 0.000 0.480 287 T N -0.267 114.240 114.554 -0.078 0.000 2.759 287 T HA -0.268 4.082 4.350 0.000 0.000 0.269 287 T C 1.745 176.390 174.700 -0.091 0.000 1.042 287 T CA 1.617 63.641 62.100 -0.127 0.000 1.140 287 T CB -0.321 68.473 68.868 -0.125 0.000 0.864 287 T HN 0.240 nan 8.240 nan 0.000 0.455 288 Q N 0.747 120.493 119.800 -0.090 0.000 2.084 288 Q HA -0.027 4.313 4.340 0.000 0.000 0.202 288 Q C 2.118 178.035 176.000 -0.139 0.000 0.978 288 Q CA 1.169 56.936 55.803 -0.061 0.000 0.844 288 Q CB -0.738 27.973 28.738 -0.045 0.000 0.898 288 Q HN 0.468 nan 8.270 nan 0.000 0.426 289 L N -0.321 120.741 121.223 -0.268 0.000 1.990 289 L HA -0.234 4.106 4.340 0.000 0.000 0.213 289 L C 2.228 178.923 176.870 -0.292 0.000 1.072 289 L CA 2.092 56.747 54.840 -0.309 0.000 0.755 289 L CB -1.053 40.716 42.059 -0.483 0.000 0.889 289 L HN 0.391 nan 8.230 nan 0.000 0.432 290 C N -0.227 118.821 119.300 -0.421 0.000 2.393 290 C HA -0.211 4.249 4.460 0.000 0.000 0.276 290 C C 2.720 177.701 174.990 -0.014 0.000 1.215 290 C CA 1.256 60.104 59.018 -0.284 0.000 1.743 290 C CB -1.037 26.476 27.740 -0.379 0.000 2.044 290 C HN 0.631 nan 8.230 nan 0.000 0.464 291 I N 0.858 121.470 120.570 0.070 0.000 2.208 291 I HA -0.218 3.952 4.170 0.000 0.000 0.245 291 I C 1.952 178.061 176.117 -0.014 0.000 1.097 291 I CA 1.620 62.974 61.300 0.090 0.000 1.363 291 I CB -0.580 37.471 38.000 0.085 0.000 1.051 291 I HN 0.352 nan 8.210 nan 0.000 0.413 292 D N 0.560 120.920 120.400 -0.067 0.000 2.264 292 D HA -0.056 4.584 4.640 0.000 0.000 0.208 292 D C 1.793 178.016 176.300 -0.129 0.000 0.966 292 D CA 1.025 54.962 54.000 -0.106 0.000 0.864 292 D CB -0.001 40.713 40.800 -0.143 0.000 0.933 292 D HN 0.338 nan 8.370 nan 0.000 0.499 293 L N -0.989 120.166 121.223 -0.113 0.000 2.653 293 L HA 0.284 4.624 4.340 0.000 0.000 0.231 293 L C 1.385 178.212 176.870 -0.071 0.000 1.153 293 L CA 0.124 54.898 54.840 -0.110 0.000 0.933 293 L CB 0.313 42.304 42.059 -0.113 0.000 1.175 293 L HN 0.089 nan 8.230 nan 0.000 0.473 294 G N -1.143 107.629 108.800 -0.046 0.000 2.179 294 G HA2 -0.300 3.660 3.960 0.000 0.000 0.220 294 G HA3 -0.300 3.660 3.960 0.000 0.000 0.220 294 G C -0.125 174.783 174.900 0.013 0.000 0.990 294 G CA -0.381 44.697 45.100 -0.037 0.000 0.646 294 G HN 0.292 nan 8.290 nan 0.000 0.517 295 W N 2.766 123.988 121.300 -0.129 0.000 2.190 295 W HA 0.610 5.270 4.660 0.000 0.000 0.330 295 W C 0.505 176.966 176.519 -0.095 0.000 1.299 295 W CA -0.674 56.604 57.345 -0.112 0.000 1.215 295 W CB 0.754 30.147 29.460 -0.112 0.000 1.147 295 W HN -0.001 nan 8.180 nan 0.000 0.563 296 K N 8.780 128.713 120.400 -0.778 0.000 2.284 296 K HA 0.206 4.526 4.320 0.000 0.000 0.287 296 K C -2.253 173.547 176.600 -1.335 0.000 1.081 296 K CA -1.656 54.170 56.287 -0.769 0.000 0.910 296 K CB 0.621 32.825 32.500 -0.495 0.000 1.088 296 K HN 0.274 nan 8.250 nan 0.000 0.478 297 P HA 0.074 nan 4.420 nan 0.000 0.268 297 P C -0.645 176.013 177.300 -1.069 0.000 1.205 297 P CA 0.002 62.391 63.100 -1.184 0.000 0.771 297 P CB 0.766 31.865 31.700 -1.001 0.000 0.858 298 K N 1.344 121.238 120.400 -0.843 0.000 2.374 298 K HA 0.104 4.424 4.320 0.000 0.000 0.202 298 K C -0.238 176.132 176.600 -0.383 0.000 1.040 298 K CA -0.152 55.870 56.287 -0.441 0.000 1.085 298 K CB -0.207 32.208 32.500 -0.142 0.000 0.873 298 K HN 0.271 nan 8.250 nan 0.000 0.539 299 Y N 0.147 119.939 120.300 -0.847 0.000 3.396 299 Y HA -0.280 4.270 4.550 0.000 0.000 0.214 299 Y C 0.759 176.526 175.900 -0.222 0.000 1.203 299 Y CA 0.570 58.102 58.100 -0.947 0.000 1.401 299 Y CB -2.266 35.853 38.460 -0.570 0.000 1.409 299 Y HN 0.201 nan 8.280 nan 0.000 0.594 300 G N -0.469 108.432 108.800 0.169 0.000 2.552 300 G HA2 0.547 4.507 3.960 0.000 0.000 0.318 300 G HA3 0.547 4.507 3.960 0.000 0.000 0.318 300 G C 0.664 175.681 174.900 0.195 0.000 1.240 300 G CA -0.803 44.405 45.100 0.181 0.000 1.002 300 G HN 0.270 nan 8.290 nan 0.000 0.493 301 R N -1.187 119.306 120.500 -0.012 0.000 2.119 301 R HA 0.075 4.415 4.340 0.000 0.000 0.222 301 R C -0.100 175.879 176.300 -0.535 0.000 1.088 301 R CA 0.953 56.862 56.100 -0.319 0.000 0.984 301 R CB -0.003 29.891 30.300 -0.677 0.000 0.884 301 R HN 0.388 nan 8.270 nan 0.000 0.447 302 F N 1.021 120.948 119.950 -0.040 0.000 2.523 302 F HA 0.283 4.810 4.527 0.000 0.000 0.322 302 F C -0.880 174.840 175.800 -0.132 0.000 1.361 302 F CA -1.213 56.479 58.000 -0.514 0.000 1.151 302 F CB 0.702 39.151 39.000 -0.918 0.000 1.391 302 F HN -0.297 nan 8.300 nan 0.000 0.566 303 D N 1.645 122.228 120.400 0.306 0.000 2.274 303 D HA 0.249 4.890 4.640 0.000 0.000 0.239 303 D C 0.062 176.615 176.300 0.422 0.000 1.104 303 D CA -0.139 54.105 54.000 0.406 0.000 0.840 303 D CB 2.580 43.697 40.800 0.529 0.000 1.100 303 D HN -0.011 nan 8.370 nan 0.000 0.477 304 V N 3.099 123.226 119.914 0.355 0.000 2.493 304 V HA -0.004 4.116 4.120 0.000 0.000 0.292 304 V C 1.094 177.150 176.094 -0.063 0.000 1.016 304 V CA -0.401 61.975 62.300 0.127 0.000 1.097 304 V CB 0.544 32.391 31.823 0.040 0.000 0.947 304 V HN 0.343 nan 8.190 nan 0.000 0.479 305 V N 5.249 125.038 119.914 -0.209 0.000 3.185 305 V HA 0.469 4.590 4.120 0.000 0.000 0.305 305 V C -1.653 174.179 176.094 -0.437 0.000 1.090 305 V CA -1.380 60.604 62.300 -0.527 0.000 1.107 305 V CB 0.431 32.067 31.823 -0.312 0.000 1.061 305 V HN 0.768 nan 8.190 nan 0.000 0.480 306 P HA 0.395 nan 4.420 nan 0.000 0.278 306 P C -0.718 176.527 177.300 -0.092 0.000 1.258 306 P CA -0.677 62.231 63.100 -0.321 0.000 0.811 306 P CB 0.992 32.429 31.700 -0.437 0.000 1.063 307 L N 0.733 121.978 121.223 0.037 0.000 2.349 307 L HA 0.251 4.591 4.340 0.000 0.000 0.275 307 L C 0.212 177.161 176.870 0.132 0.000 1.115 307 L CA -0.642 54.275 54.840 0.128 0.000 0.820 307 L CB 0.829 43.000 42.059 0.187 0.000 1.135 307 L HN 0.091 nan 8.230 nan 0.000 0.445 308 V N 5.552 125.561 119.914 0.159 0.000 2.284 308 V HA 0.317 4.437 4.120 0.000 0.000 0.274 308 V C 0.059 176.120 176.094 -0.055 0.000 1.023 308 V CA -0.353 61.961 62.300 0.023 0.000 0.808 308 V CB 0.941 32.810 31.823 0.077 0.000 1.035 308 V HN 0.488 nan 8.190 nan 0.000 0.445 309 L N 4.275 125.465 121.223 -0.054 0.000 2.275 309 L HA 0.576 4.916 4.340 0.000 0.000 0.288 309 L C 0.126 176.841 176.870 -0.258 0.000 1.046 309 L CA -0.241 54.535 54.840 -0.105 0.000 0.805 309 L CB 1.435 43.466 42.059 -0.047 0.000 1.193 309 L HN 0.593 nan 8.230 nan 0.000 0.426 310 Q N 3.144 122.781 119.800 -0.272 0.000 2.372 310 Q HA 0.634 4.974 4.340 0.000 0.000 0.259 310 Q C -1.125 174.681 176.000 -0.323 0.000 0.993 310 Q CA -0.576 55.045 55.803 -0.302 0.000 0.854 310 Q CB 1.731 30.406 28.738 -0.105 0.000 1.231 310 Q HN 0.780 nan 8.270 nan 0.000 0.462 311 A N 4.455 127.031 122.820 -0.406 0.000 2.318 311 A HA 0.352 4.672 4.320 0.000 0.000 0.324 311 A C 0.217 177.285 177.584 -0.859 0.000 1.170 311 A CA -0.453 51.148 52.037 -0.726 0.000 0.810 311 A CB 0.735 19.523 19.000 -0.354 0.000 1.198 311 A HN 1.083 nan 8.150 nan 0.000 0.484 312 N N 1.040 118.739 118.700 -1.670 0.000 2.708 312 N HA -0.249 4.491 4.740 0.000 0.000 0.249 312 N C 1.021 176.375 175.510 -0.260 0.000 1.097 312 N CA 1.615 54.225 53.050 -0.733 0.000 0.710 312 N CB -0.690 37.624 38.487 -0.289 0.000 1.032 312 N HN 2.195 nan 8.380 nan 0.000 0.551 313 G N -0.569 108.061 108.800 -0.283 0.000 2.189 313 G HA2 -0.362 3.598 3.960 0.000 0.000 0.267 313 G HA3 -0.362 3.598 3.960 0.000 0.000 0.267 313 G C 0.310 175.152 174.900 -0.098 0.000 0.975 313 G CA 0.962 45.974 45.100 -0.147 0.000 0.644 313 G HN 0.638 nan 8.290 nan 0.000 0.537 314 R N 0.462 120.874 120.500 -0.147 0.000 2.637 314 R HA 0.399 4.739 4.340 0.000 0.000 0.269 314 R C -0.168 176.026 176.300 -0.177 0.000 1.089 314 R CA -0.613 55.425 56.100 -0.105 0.000 1.177 314 R CB 0.324 30.559 30.300 -0.110 0.000 1.091 314 R HN 0.164 nan 8.270 nan 0.000 0.540 315 D N 2.453 122.758 120.400 -0.159 0.000 2.423 315 D HA 0.056 4.697 4.640 0.000 0.000 0.238 315 D C -1.956 174.049 176.300 -0.492 0.000 1.142 315 D CA -0.883 52.850 54.000 -0.445 0.000 0.884 315 D CB 0.239 40.996 40.800 -0.071 0.000 1.199 315 D HN 0.244 nan 8.370 nan 0.000 0.438 316 P HA 0.198 nan 4.420 nan 0.000 0.276 316 P C -0.774 176.330 177.300 -0.327 0.000 1.244 316 P CA -0.336 62.358 63.100 -0.675 0.000 0.801 316 P CB 1.140 32.064 31.700 -1.294 0.000 1.006 317 E N 0.491 120.569 120.200 -0.203 0.000 2.256 317 E HA 0.461 4.811 4.350 0.000 0.000 0.267 317 E C -0.844 175.638 176.600 -0.197 0.000 0.892 317 E CA -0.961 55.326 56.400 -0.188 0.000 0.775 317 E CB 1.226 30.836 29.700 -0.150 0.000 1.207 317 E HN 0.239 nan 8.360 nan 0.000 0.420 318 L N 2.379 123.378 121.223 -0.372 0.000 2.334 318 L HA 0.468 4.808 4.340 0.000 0.000 0.277 318 L C -0.971 175.505 176.870 -0.657 0.000 1.075 318 L CA 0.236 54.889 54.840 -0.311 0.000 0.804 318 L CB 0.078 42.005 42.059 -0.219 0.000 1.174 318 L HN 0.451 nan 8.230 nan 0.000 0.438 319 F N 0.509 120.326 119.950 -0.222 0.000 2.588 319 F HA 0.401 4.928 4.527 0.000 0.000 0.314 319 F C -0.041 175.659 175.800 -0.168 0.000 1.134 319 F CA -0.789 56.980 58.000 -0.384 0.000 0.961 319 F CB 1.650 40.218 39.000 -0.720 0.000 1.239 319 F HN 0.382 nan 8.300 nan 0.000 0.448 320 E N 3.640 123.873 120.200 0.055 0.000 2.156 320 E HA 0.444 4.794 4.350 0.000 0.000 0.279 320 E C -0.532 176.235 176.600 0.278 0.000 0.965 320 E CA -0.697 55.783 56.400 0.133 0.000 0.789 320 E CB 2.158 31.932 29.700 0.123 0.000 1.098 320 E HN 0.478 nan 8.360 nan 0.000 0.397 321 I N 5.460 126.171 120.570 0.235 0.000 2.662 321 I HA 0.002 4.172 4.170 0.000 0.000 0.285 321 I C -1.741 174.473 176.117 0.161 0.000 1.161 321 I CA -1.532 59.894 61.300 0.210 0.000 1.415 321 I CB -0.079 37.963 38.000 0.069 0.000 1.385 321 I HN 0.204 nan 8.210 nan 0.000 0.552 322 P HA -0.011 nan 4.420 nan 0.000 0.260 322 P C -1.973 175.374 177.300 0.078 0.000 1.185 322 P CA -1.007 62.165 63.100 0.121 0.000 0.763 322 P CB -0.002 31.761 31.700 0.105 0.000 0.776 323 P HA -0.241 nan 4.420 nan 0.000 0.218 323 P C 1.011 178.340 177.300 0.049 0.000 1.147 323 P CA 1.603 64.744 63.100 0.069 0.000 0.827 323 P CB -0.126 31.620 31.700 0.078 0.000 0.778 324 D N -0.553 119.873 120.400 0.043 0.000 2.348 324 D HA -0.089 4.551 4.640 0.000 0.000 0.216 324 D C 1.744 178.055 176.300 0.019 0.000 0.970 324 D CA 0.556 54.574 54.000 0.029 0.000 0.889 324 D CB -0.546 40.271 40.800 0.028 0.000 0.912 324 D HN 0.284 nan 8.370 nan 0.000 0.524 325 L N 0.742 121.975 121.223 0.016 0.000 2.607 325 L HA 0.137 4.478 4.340 0.000 0.000 0.228 325 L C 0.226 177.095 176.870 -0.002 0.000 1.123 325 L CA -0.046 54.794 54.840 0.000 0.000 0.890 325 L CB 0.918 42.966 42.059 -0.018 0.000 1.103 325 L HN -0.154 nan 8.230 nan 0.000 0.468 326 V N 1.806 121.726 119.914 0.010 0.000 2.259 326 V HA 0.181 4.301 4.120 0.000 0.000 0.267 326 V C 0.027 176.139 176.094 0.029 0.000 1.051 326 V CA -0.555 61.751 62.300 0.010 0.000 0.830 326 V CB 1.399 33.230 31.823 0.014 0.000 1.080 326 V HN 0.050 nan 8.190 nan 0.000 0.467 327 L N 4.791 126.032 121.223 0.030 0.000 2.380 327 L HA 0.490 4.830 4.340 0.000 0.000 0.273 327 L C 0.131 177.021 176.870 0.032 0.000 1.138 327 L CA 0.895 55.746 54.840 0.018 0.000 0.832 327 L CB 0.580 42.643 42.059 0.007 0.000 1.124 327 L HN 0.648 nan 8.230 nan 0.000 0.454 328 E N 2.854 123.050 120.200 -0.006 0.000 2.393 328 E HA 0.601 4.951 4.350 0.000 0.000 0.273 328 E C -1.624 174.905 176.600 -0.118 0.000 0.918 328 E CA -0.965 55.427 56.400 -0.014 0.000 0.773 328 E CB 2.454 32.181 29.700 0.044 0.000 1.275 328 E HN 0.375 nan 8.360 nan 0.000 0.451 329 V N 1.289 121.101 119.914 -0.171 0.000 2.487 329 V HA 0.545 4.666 4.120 0.000 0.000 0.298 329 V C -0.310 175.739 176.094 -0.073 0.000 1.028 329 V CA -0.841 61.317 62.300 -0.237 0.000 0.860 329 V CB 1.433 32.889 31.823 -0.612 0.000 0.991 329 V HN 0.787 nan 8.190 nan 0.000 0.427 330 A N 6.573 129.367 122.820 -0.044 0.000 2.366 330 A HA 0.718 5.038 4.320 0.000 0.000 0.272 330 A C 0.021 177.653 177.584 0.080 0.000 1.135 330 A CA -0.440 51.605 52.037 0.013 0.000 0.804 330 A CB 0.282 19.291 19.000 0.014 0.000 1.064 330 A HN 0.712 nan 8.150 nan 0.000 0.499 331 M N 2.577 122.273 119.600 0.160 0.000 2.120 331 M HA 0.323 4.803 4.480 0.000 0.000 0.354 331 M C 0.008 176.483 176.300 0.293 0.000 1.287 331 M CA 0.621 56.081 55.300 0.267 0.000 1.103 331 M CB -0.093 32.769 32.600 0.437 0.000 1.623 331 M HN 0.756 nan 8.290 nan 0.000 0.471 332 E N 0.833 121.157 120.200 0.206 0.000 2.369 332 E HA 0.468 4.818 4.350 0.000 0.000 0.270 332 E C -1.443 175.155 176.600 -0.004 0.000 0.909 332 E CA -0.769 55.742 56.400 0.186 0.000 0.775 332 E CB 2.735 32.553 29.700 0.197 0.000 1.270 332 E HN 0.630 nan 8.360 nan 0.000 0.445 333 H N 1.723 120.632 119.070 -0.269 0.000 2.538 333 H HA 0.260 4.816 4.556 0.000 0.000 0.353 333 H C -1.895 173.081 175.328 -0.587 0.000 1.109 333 H CA -2.196 53.513 56.048 -0.565 0.000 1.192 333 H CB 1.621 30.992 29.762 -0.651 0.000 1.555 333 H HN 0.240 nan 8.280 nan 0.000 0.518 334 P HA -0.135 nan 4.420 nan 0.000 0.222 334 P C 0.279 177.358 177.300 -0.369 0.000 1.147 334 P CA 1.273 63.872 63.100 -0.835 0.000 0.790 334 P CB 0.398 31.552 31.700 -0.910 0.000 0.780 335 K N -2.397 117.875 120.400 -0.214 0.000 2.436 335 K HA 0.069 4.389 4.320 0.000 0.000 0.198 335 K C 0.085 176.627 176.600 -0.096 0.000 1.174 335 K CA -0.150 56.033 56.287 -0.173 0.000 0.951 335 K CB -0.010 32.325 32.500 -0.276 0.000 1.040 335 K HN -0.118 nan 8.250 nan 0.000 0.536 336 Y N 3.996 124.270 120.300 -0.043 0.000 2.595 336 Y HA 0.170 4.720 4.550 0.000 0.000 0.347 336 Y C 0.467 176.103 175.900 -0.441 0.000 1.025 336 Y CA -1.300 56.510 58.100 -0.483 0.000 1.295 336 Y CB 0.795 38.516 38.460 -1.232 0.000 1.147 336 Y HN 0.201 nan 8.280 nan 0.000 0.515 337 E N 1.742 121.923 120.200 -0.032 0.000 2.097 337 E HA -0.268 4.083 4.350 0.000 0.000 0.196 337 E C 1.732 178.369 176.600 0.062 0.000 1.000 337 E CA 1.800 58.225 56.400 0.042 0.000 0.804 337 E CB -0.697 29.075 29.700 0.120 0.000 0.740 337 E HN 0.827 nan 8.360 nan 0.000 0.454 338 W N 0.168 121.558 121.300 0.150 0.000 2.611 338 W HA 0.043 4.703 4.660 0.000 0.000 0.251 338 W C 1.269 177.845 176.519 0.095 0.000 1.265 338 W CA -0.010 57.385 57.345 0.083 0.000 1.295 338 W CB -0.895 28.570 29.460 0.009 0.000 1.129 338 W HN -0.018 nan 8.180 nan 0.000 0.630 339 F N 3.792 123.455 119.950 -0.479 0.000 2.134 339 F HA -0.221 4.306 4.527 0.000 0.000 0.299 339 F C 2.943 178.732 175.800 -0.018 0.000 1.097 339 F CA 3.045 60.826 58.000 -0.365 0.000 1.264 339 F CB -0.344 38.395 39.000 -0.435 0.000 1.001 339 F HN -0.161 nan 8.300 nan 0.000 0.479 340 R N 0.506 121.126 120.500 0.200 0.000 2.159 340 R HA -0.194 4.147 4.340 0.000 0.000 0.237 340 R C 1.556 177.919 176.300 0.106 0.000 1.131 340 R CA 1.973 58.173 56.100 0.166 0.000 0.982 340 R CB -1.196 29.188 30.300 0.139 0.000 0.868 340 R HN 0.375 nan 8.270 nan 0.000 0.453 341 E N 1.277 121.545 120.200 0.114 0.000 2.268 341 E HA -0.072 4.279 4.350 0.000 0.000 0.195 341 E C 1.951 178.580 176.600 0.048 0.000 0.995 341 E CA 0.792 57.250 56.400 0.096 0.000 0.836 341 E CB -0.104 29.676 29.700 0.134 0.000 0.763 341 E HN 0.402 nan 8.360 nan 0.000 0.491 342 L N 0.782 121.995 121.223 -0.017 0.000 2.353 342 L HA -0.115 4.225 4.340 0.000 0.000 0.220 342 L C 0.352 177.217 176.870 -0.007 0.000 1.133 342 L CA 0.690 55.476 54.840 -0.091 0.000 0.798 342 L CB -0.535 41.312 42.059 -0.354 0.000 0.922 342 L HN 0.137 nan 8.230 nan 0.000 0.445 343 E N 0.391 120.613 120.200 0.037 0.000 2.320 343 E HA -0.210 4.140 4.350 0.000 0.000 0.234 343 E C -0.476 176.210 176.600 0.143 0.000 1.183 343 E CA 0.034 56.492 56.400 0.097 0.000 0.713 343 E CB -1.599 28.174 29.700 0.123 0.000 1.226 343 E HN 0.422 nan 8.360 nan 0.000 0.382 344 L N 0.572 121.830 121.223 0.057 0.000 2.352 344 L HA 0.622 4.963 4.340 0.000 0.000 0.269 344 L C 0.452 177.265 176.870 -0.096 0.000 1.034 344 L CA -0.394 54.445 54.840 -0.001 0.000 0.806 344 L CB 1.292 43.268 42.059 -0.138 0.000 1.244 344 L HN 0.135 nan 8.230 nan 0.000 0.447 345 K N 0.221 120.420 120.400 -0.336 0.000 2.607 345 K HA 0.474 4.794 4.320 0.000 0.000 0.287 345 K C -2.109 174.501 176.600 0.015 0.000 0.996 345 K CA -1.042 55.142 56.287 -0.171 0.000 0.876 345 K CB 2.215 34.517 32.500 -0.330 0.000 1.496 345 K HN 0.591 nan 8.250 nan 0.000 0.415 346 W N 2.059 123.327 121.300 -0.053 0.000 3.137 346 W HA 0.346 5.006 4.660 0.000 0.000 0.324 346 W C -1.294 175.249 176.519 0.039 0.000 1.253 346 W CA -0.825 56.524 57.345 0.008 0.000 1.183 346 W CB 1.663 30.989 29.460 -0.224 0.000 1.424 346 W HN 0.708 nan 8.180 nan 0.000 0.566 347 Y N 1.066 121.242 120.300 -0.206 0.000 2.300 347 Y HA 0.546 5.096 4.550 0.000 0.000 0.328 347 Y C 0.786 176.866 175.900 0.301 0.000 1.270 347 Y CA 0.137 58.204 58.100 -0.055 0.000 1.352 347 Y CB 0.255 38.551 38.460 -0.273 0.000 1.286 347 Y HN 0.343 nan 8.280 nan 0.000 0.536 348 A N 2.070 125.105 122.820 0.357 0.000 1.975 348 A HA 0.071 4.392 4.320 0.000 0.000 0.215 348 A C 0.566 178.446 177.584 0.494 0.000 1.170 348 A CA 0.286 52.578 52.037 0.426 0.000 0.656 348 A CB -0.287 18.810 19.000 0.162 0.000 0.821 348 A HN 0.654 nan 8.150 nan 0.000 0.449 349 L N 2.329 123.792 121.223 0.399 0.000 2.259 349 L HA 0.359 4.699 4.340 0.000 0.000 0.288 349 L C -2.430 174.538 176.870 0.162 0.000 1.051 349 L CA -2.276 52.694 54.840 0.216 0.000 0.824 349 L CB 1.195 43.308 42.059 0.090 0.000 1.206 349 L HN 0.018 nan 8.230 nan 0.000 0.429 350 P HA 0.303 nan 4.420 nan 0.000 0.286 350 P C -1.385 175.810 177.300 -0.175 0.000 1.321 350 P CA -0.288 62.623 63.100 -0.316 0.000 0.790 350 P CB 1.200 32.368 31.700 -0.887 0.000 0.897 351 A N 4.407 127.139 122.820 -0.147 0.000 2.411 351 A HA 0.437 4.757 4.320 0.000 0.000 0.285 351 A C -0.464 176.927 177.584 -0.323 0.000 1.129 351 A CA -0.665 51.232 52.037 -0.233 0.000 0.736 351 A CB 1.188 20.031 19.000 -0.262 0.000 1.186 351 A HN 0.289 nan 8.150 nan 0.000 0.445 352 V N 2.443 122.034 119.914 -0.539 0.000 2.455 352 V HA 0.408 4.528 4.120 0.000 0.000 0.273 352 V C 1.166 176.802 176.094 -0.764 0.000 1.045 352 V CA 0.874 62.763 62.300 -0.686 0.000 0.976 352 V CB 0.915 32.161 31.823 -0.962 0.000 0.993 352 V HN 1.120 nan 8.190 nan 0.000 0.475 353 A N 4.317 126.889 122.820 -0.413 0.000 2.382 353 A HA 0.149 4.469 4.320 0.000 0.000 0.228 353 A C 1.292 178.792 177.584 -0.140 0.000 1.217 353 A CA 0.228 52.107 52.037 -0.263 0.000 0.923 353 A CB -0.009 18.899 19.000 -0.154 0.000 0.979 353 A HN 0.800 nan 8.150 nan 0.000 0.515 354 N N -0.523 118.095 118.700 -0.138 0.000 2.234 354 N HA 0.228 4.968 4.740 0.000 0.000 0.227 354 N C -0.013 175.496 175.510 -0.001 0.000 1.151 354 N CA -0.126 52.898 53.050 -0.044 0.000 0.865 354 N CB -0.233 38.223 38.487 -0.051 0.000 1.066 354 N HN 0.364 nan 8.380 nan 0.000 0.515 355 M N 0.469 120.060 119.600 -0.015 0.000 2.368 355 M HA 0.375 4.855 4.480 0.000 0.000 0.311 355 M C -0.451 175.948 176.300 0.165 0.000 1.168 355 M CA -0.862 54.492 55.300 0.092 0.000 1.044 355 M CB 2.033 34.689 32.600 0.094 0.000 1.506 355 M HN 0.050 nan 8.290 nan 0.000 0.475 356 L N 2.090 123.452 121.223 0.232 0.000 2.333 356 L HA 0.525 4.865 4.340 0.000 0.000 0.280 356 L C -1.452 175.636 176.870 0.363 0.000 1.004 356 L CA -0.622 54.381 54.840 0.271 0.000 0.820 356 L CB 1.070 43.253 42.059 0.207 0.000 1.247 356 L HN 0.620 nan 8.230 nan 0.000 0.416 357 L N 4.998 126.448 121.223 0.378 0.000 2.290 357 L HA 0.375 4.716 4.340 0.000 0.000 0.284 357 L C -0.257 176.785 176.870 0.287 0.000 1.078 357 L CA -0.158 54.860 54.840 0.296 0.000 0.815 357 L CB 1.004 43.176 42.059 0.188 0.000 1.162 357 L HN 0.691 nan 8.230 nan 0.000 0.435 358 E N 4.704 125.045 120.200 0.235 0.000 2.151 358 E HA 0.442 4.792 4.350 0.000 0.000 0.275 358 E C -1.718 174.949 176.600 0.113 0.000 0.936 358 E CA -0.509 56.035 56.400 0.239 0.000 0.777 358 E CB 1.838 31.773 29.700 0.391 0.000 1.108 358 E HN 0.388 nan 8.360 nan 0.000 0.401 359 V N 1.900 121.863 119.914 0.081 0.000 2.612 359 V HA 0.348 4.468 4.120 0.000 0.000 0.301 359 V C 0.740 176.818 176.094 -0.027 0.000 1.059 359 V CA -0.506 61.732 62.300 -0.103 0.000 0.886 359 V CB 1.583 33.215 31.823 -0.319 0.000 1.007 359 V HN 0.855 nan 8.190 nan 0.000 0.426 360 G N 2.725 111.567 108.800 0.070 0.000 2.449 360 G HA2 0.069 4.029 3.960 0.000 0.000 0.304 360 G HA3 0.069 4.029 3.960 0.000 0.000 0.304 360 G C 1.339 176.393 174.900 0.256 0.000 0.962 360 G CA 1.478 46.740 45.100 0.270 0.000 0.943 360 G HN 2.530 nan 8.290 nan 0.000 0.514 361 G N -2.672 106.227 108.800 0.165 0.000 2.234 361 G HA2 -0.127 3.833 3.960 0.000 0.000 0.235 361 G HA3 -0.127 3.833 3.960 0.000 0.000 0.235 361 G C 0.311 175.258 174.900 0.079 0.000 0.997 361 G CA 0.370 45.547 45.100 0.129 0.000 0.623 361 G HN 1.084 nan 8.290 nan 0.000 0.514 362 L N 1.640 122.901 121.223 0.063 0.000 2.371 362 L HA 0.613 4.953 4.340 0.000 0.000 0.272 362 L C 0.415 177.281 176.870 -0.008 0.000 1.124 362 L CA -0.344 54.464 54.840 -0.054 0.000 0.816 362 L CB 1.146 43.121 42.059 -0.140 0.000 1.129 362 L HN 0.347 nan 8.230 nan 0.000 0.448 363 E N 3.144 123.269 120.200 -0.125 0.000 2.176 363 E HA 0.370 4.721 4.350 0.000 0.000 0.267 363 E C -1.380 175.116 176.600 -0.173 0.000 0.893 363 E CA -0.270 56.116 56.400 -0.023 0.000 0.761 363 E CB 1.399 31.085 29.700 -0.023 0.000 1.133 363 E HN 0.218 nan 8.360 nan 0.000 0.409 364 F N 3.414 123.389 119.950 0.041 0.000 2.307 364 F HA 0.301 4.828 4.527 0.000 0.000 0.369 364 F C -1.823 174.049 175.800 0.119 0.000 1.076 364 F CA -2.293 55.748 58.000 0.068 0.000 1.149 364 F CB 1.371 40.400 39.000 0.048 0.000 1.410 364 F HN 0.372 nan 8.300 nan 0.000 0.481 365 P HA 0.034 nan 4.420 nan 0.000 0.234 365 P C 0.420 177.865 177.300 0.241 0.000 1.167 365 P CA 0.550 63.767 63.100 0.195 0.000 0.763 365 P CB 0.503 32.288 31.700 0.143 0.000 0.835 366 G N -0.075 108.926 108.800 0.335 0.000 2.737 366 G HA2 0.484 4.444 3.960 0.000 0.000 0.290 366 G HA3 0.484 4.444 3.960 0.000 0.000 0.290 366 G C -0.785 174.348 174.900 0.389 0.000 1.482 366 G CA -0.457 44.892 45.100 0.414 0.000 1.017 366 G HN 0.139 nan 8.290 nan 0.000 0.529 367 C N 1.370 120.816 119.300 0.243 0.000 3.079 367 C HA 0.435 4.896 4.460 0.000 0.000 0.246 367 C C -2.593 172.423 174.990 0.044 0.000 1.025 367 C CA -1.847 57.245 59.018 0.124 0.000 1.081 367 C CB 0.304 28.151 27.740 0.180 0.000 1.757 367 C HN 0.537 nan 8.230 nan 0.000 0.646 368 P HA 0.339 nan 4.420 nan 0.000 0.265 368 P C -0.577 176.709 177.300 -0.023 0.000 1.193 368 P CA 0.974 63.984 63.100 -0.151 0.000 0.765 368 P CB 0.462 32.113 31.700 -0.083 0.000 0.823 369 F N 0.639 120.516 119.950 -0.121 0.000 2.613 369 F HA 0.692 5.219 4.527 0.000 0.000 0.314 369 F C -0.524 175.169 175.800 -0.177 0.000 1.075 369 F CA -1.236 56.680 58.000 -0.141 0.000 0.945 369 F CB 1.647 40.400 39.000 -0.411 0.000 1.310 369 F HN 0.345 nan 8.300 nan 0.000 0.467 370 N N -0.184 118.602 118.700 0.143 0.000 2.610 370 N HA 0.760 5.500 4.740 0.000 0.000 0.264 370 N C -1.265 174.179 175.510 -0.110 0.000 1.348 370 N CA -0.454 52.601 53.050 0.007 0.000 0.819 370 N CB 2.033 40.541 38.487 0.035 0.000 1.521 370 N HN 1.102 nan 8.380 nan 0.000 0.497 371 G N -0.989 107.708 108.800 -0.171 0.000 3.085 371 G HA2 0.656 4.616 3.960 0.000 0.000 0.264 371 G HA3 0.656 4.616 3.960 0.000 0.000 0.264 371 G C -1.729 173.101 174.900 -0.116 0.000 1.206 371 G CA -0.838 44.078 45.100 -0.308 0.000 0.809 371 G HN 0.699 nan 8.290 nan 0.000 0.592 372 W N -1.756 119.543 121.300 -0.002 0.000 2.758 372 W HA 0.826 5.486 4.660 0.000 0.000 0.355 372 W C -1.269 175.242 176.519 -0.013 0.000 1.223 372 W CA -1.870 55.486 57.345 0.019 0.000 1.182 372 W CB 0.356 29.867 29.460 0.085 0.000 1.464 372 W HN 0.368 nan 8.180 nan 0.000 0.630 373 Y N 1.812 122.317 120.300 0.342 0.000 2.304 373 Y HA 0.324 4.874 4.550 0.000 0.000 0.327 373 Y C 0.529 176.484 175.900 0.092 0.000 1.209 373 Y CA -1.215 56.950 58.100 0.110 0.000 1.299 373 Y CB 1.468 39.894 38.460 -0.057 0.000 1.249 373 Y HN 0.352 nan 8.280 nan 0.000 0.519 374 M N 2.578 122.328 119.600 0.250 0.000 2.101 374 M HA 0.348 4.828 4.480 0.000 0.000 0.340 374 M C 1.088 177.358 176.300 -0.049 0.000 1.057 374 M CA -0.094 55.269 55.300 0.105 0.000 0.984 374 M CB 1.065 33.709 32.600 0.072 0.000 1.560 374 M HN 0.871 nan 8.290 nan 0.000 0.435 375 G N 2.014 110.729 108.800 -0.141 0.000 2.596 375 G HA2 -0.336 3.624 3.960 0.000 0.000 0.223 375 G HA3 -0.336 3.624 3.960 0.000 0.000 0.223 375 G C 1.136 175.840 174.900 -0.327 0.000 1.120 375 G CA 1.856 46.779 45.100 -0.295 0.000 0.752 375 G HN 0.866 nan 8.290 nan 0.000 0.596 376 T N -0.759 113.633 114.554 -0.271 0.000 2.881 376 T HA -0.041 4.309 4.350 0.000 0.000 0.270 376 T C 1.933 176.449 174.700 -0.307 0.000 1.068 376 T CA 1.586 63.492 62.100 -0.322 0.000 1.131 376 T CB -0.272 68.366 68.868 -0.382 0.000 0.871 376 T HN 0.562 nan 8.240 nan 0.000 0.479 377 E N 0.951 120.988 120.200 -0.272 0.000 2.110 377 E HA -0.030 4.321 4.350 0.000 0.000 0.193 377 E C 2.038 178.335 176.600 -0.505 0.000 0.988 377 E CA 1.271 57.518 56.400 -0.254 0.000 0.804 377 E CB -0.300 29.386 29.700 -0.025 0.000 0.745 377 E HN 0.587 nan 8.360 nan 0.000 0.458 378 I N 0.375 120.478 120.570 -0.778 0.000 2.368 378 I HA -0.039 4.131 4.170 0.000 0.000 0.238 378 I C 2.642 178.211 176.117 -0.914 0.000 1.076 378 I CA 0.816 61.376 61.300 -1.233 0.000 1.397 378 I CB -0.663 36.452 38.000 -1.475 0.000 1.141 378 I HN 0.099 nan 8.210 nan 0.000 0.430 379 G N 0.803 109.269 108.800 -0.555 0.000 2.469 379 G HA2 -0.182 3.778 3.960 0.000 0.000 0.220 379 G HA3 -0.182 3.778 3.960 0.000 0.000 0.220 379 G C 1.556 176.395 174.900 -0.101 0.000 1.136 379 G CA 1.531 46.514 45.100 -0.195 0.000 0.759 379 G HN 0.265 nan 8.290 nan 0.000 0.562 380 V N -0.148 119.648 119.914 -0.196 0.000 2.627 380 V HA 0.109 4.229 4.120 0.000 0.000 0.239 380 V C 2.744 178.766 176.094 -0.120 0.000 1.077 380 V CA 0.866 63.083 62.300 -0.137 0.000 1.103 380 V CB -0.245 31.468 31.823 -0.183 0.000 0.802 380 V HN 0.107 nan 8.190 nan 0.000 0.482 381 R N 0.848 121.238 120.500 -0.183 0.000 2.051 381 R HA -0.015 4.325 4.340 0.000 0.000 0.225 381 R C 1.983 178.217 176.300 -0.109 0.000 1.155 381 R CA 1.516 57.532 56.100 -0.140 0.000 0.945 381 R CB -1.129 29.076 30.300 -0.158 0.000 0.840 381 R HN 0.462 nan 8.270 nan 0.000 0.432 382 D N 0.563 120.795 120.400 -0.280 0.000 2.092 382 D HA -0.138 4.502 4.640 0.000 0.000 0.193 382 D C 1.902 178.242 176.300 0.067 0.000 0.994 382 D CA 1.199 55.020 54.000 -0.299 0.000 0.828 382 D CB -0.237 39.819 40.800 -1.241 0.000 0.963 382 D HN 0.082 nan 8.370 nan 0.000 0.450 383 F N 0.235 120.099 119.950 -0.142 0.000 2.335 383 F HA 0.020 4.547 4.527 0.000 0.000 0.296 383 F C 2.386 178.233 175.800 0.079 0.000 1.091 383 F CA -0.179 57.830 58.000 0.015 0.000 1.399 383 F CB -0.584 38.398 39.000 -0.031 0.000 1.067 383 F HN 0.049 nan 8.300 nan 0.000 0.520 384 C N -1.383 118.041 119.300 0.207 0.000 3.019 384 C HA 0.186 4.646 4.460 0.000 0.000 0.295 384 C C 0.529 175.566 174.990 0.078 0.000 1.256 384 C CA -0.672 58.420 59.018 0.124 0.000 1.706 384 C CB -0.545 27.236 27.740 0.068 0.000 2.153 384 C HN 0.082 nan 8.230 nan 0.000 0.618 385 D N 0.848 121.287 120.400 0.065 0.000 2.449 385 D HA 0.062 4.702 4.640 0.000 0.000 0.236 385 D C 1.123 177.463 176.300 0.066 0.000 1.149 385 D CA 0.304 54.330 54.000 0.042 0.000 0.878 385 D CB 0.933 41.754 40.800 0.034 0.000 1.198 385 D HN -0.048 nan 8.370 nan 0.000 0.446 386 V N 1.686 121.627 119.914 0.045 0.000 2.548 386 V HA -0.176 3.944 4.120 0.000 0.000 0.249 386 V C 1.876 177.997 176.094 0.046 0.000 1.055 386 V CA 1.347 63.677 62.300 0.049 0.000 1.065 386 V CB -0.280 31.566 31.823 0.038 0.000 0.681 386 V HN 0.440 nan 8.190 nan 0.000 0.462 387 Q N -0.579 119.245 119.800 0.040 0.000 2.322 387 Q HA 0.114 4.454 4.340 0.000 0.000 0.203 387 Q C 1.168 177.189 176.000 0.034 0.000 0.923 387 Q CA 0.367 56.190 55.803 0.033 0.000 0.949 387 Q CB 0.098 28.855 28.738 0.032 0.000 1.039 387 Q HN 0.456 nan 8.270 nan 0.000 0.496 388 R N -2.134 118.399 120.500 0.055 0.000 3.066 388 R HA 0.230 4.570 4.340 0.000 0.000 0.143 388 R C 0.950 177.274 176.300 0.041 0.000 1.187 388 R CA -0.459 55.684 56.100 0.072 0.000 0.722 388 R CB -1.091 29.319 30.300 0.184 0.000 1.366 388 R HN 0.061 nan 8.270 nan 0.000 0.421 389 Y N 1.617 122.042 120.300 0.209 0.000 2.352 389 Y HA -0.044 4.506 4.550 0.000 0.000 0.292 389 Y C 0.750 176.733 175.900 0.138 0.000 1.136 389 Y CA 1.419 59.648 58.100 0.215 0.000 1.227 389 Y CB -0.149 38.531 38.460 0.368 0.000 0.991 389 Y HN 0.530 nan 8.280 nan 0.000 0.545 390 N N 0.976 119.823 118.700 0.244 0.000 2.667 390 N HA -0.216 4.524 4.740 0.000 0.000 0.263 390 N C 0.367 175.962 175.510 0.142 0.000 1.038 390 N CA 0.392 53.536 53.050 0.157 0.000 0.749 390 N CB -0.985 37.565 38.487 0.105 0.000 0.892 390 N HN 0.624 nan 8.380 nan 0.000 0.546 391 I N -2.703 117.954 120.570 0.144 0.000 3.883 391 I HA 0.035 4.205 4.170 0.000 0.000 0.326 391 I C 1.762 177.948 176.117 0.114 0.000 1.283 391 I CA -0.458 60.895 61.300 0.089 0.000 1.161 391 I CB 0.016 38.015 38.000 -0.001 0.000 1.012 391 I HN 0.132 nan 8.210 nan 0.000 0.421 392 L N 1.568 122.877 121.223 0.145 0.000 1.970 392 L HA -0.181 4.159 4.340 0.000 0.000 0.212 392 L C 2.634 179.701 176.870 0.329 0.000 1.071 392 L CA 1.972 56.925 54.840 0.188 0.000 0.751 392 L CB -0.927 41.190 42.059 0.098 0.000 0.889 392 L HN 0.339 nan 8.230 nan 0.000 0.432 393 E N -0.319 120.072 120.200 0.317 0.000 2.049 393 E HA -0.315 4.035 4.350 0.000 0.000 0.198 393 E C 2.152 178.811 176.600 0.097 0.000 1.007 393 E CA 1.827 58.397 56.400 0.283 0.000 0.809 393 E CB -0.109 29.696 29.700 0.175 0.000 0.749 393 E HN 0.633 nan 8.360 nan 0.000 0.450 394 E N -0.044 120.189 120.200 0.055 0.000 2.110 394 E HA -0.142 4.209 4.350 0.000 0.000 0.193 394 E C 2.131 178.701 176.600 -0.050 0.000 0.988 394 E CA 1.171 57.555 56.400 -0.027 0.000 0.804 394 E CB 0.195 29.877 29.700 -0.030 0.000 0.745 394 E HN 0.063 nan 8.360 nan 0.000 0.458 395 V N 0.403 120.348 119.914 0.052 0.000 2.453 395 V HA -0.123 3.997 4.120 0.000 0.000 0.247 395 V C 2.395 178.542 176.094 0.087 0.000 1.048 395 V CA 1.696 64.064 62.300 0.113 0.000 1.049 395 V CB -0.738 31.233 31.823 0.248 0.000 0.672 395 V HN 0.480 nan 8.190 nan 0.000 0.457 396 G N -0.042 108.869 108.800 0.185 0.000 2.418 396 G HA2 -0.239 3.722 3.960 0.000 0.000 0.217 396 G HA3 -0.239 3.722 3.960 0.000 0.000 0.217 396 G C 1.756 176.598 174.900 -0.097 0.000 1.158 396 G CA 0.652 45.871 45.100 0.198 0.000 0.771 396 G HN 0.408 nan 8.290 nan 0.000 0.545 397 R N -0.133 120.252 120.500 -0.191 0.000 2.081 397 R HA 0.005 4.346 4.340 0.000 0.000 0.235 397 R C 2.762 178.857 176.300 -0.342 0.000 1.131 397 R CA 1.153 57.094 56.100 -0.266 0.000 0.960 397 R CB -0.235 29.922 30.300 -0.238 0.000 0.856 397 R HN 0.264 nan 8.270 nan 0.000 0.436 398 R N -0.103 120.107 120.500 -0.484 0.000 2.148 398 R HA 0.053 4.393 4.340 0.000 0.000 0.223 398 R C 2.024 177.792 176.300 -0.888 0.000 1.088 398 R CA 0.933 56.489 56.100 -0.908 0.000 0.985 398 R CB 0.017 29.356 30.300 -1.601 0.000 0.880 398 R HN 0.181 nan 8.270 nan 0.000 0.451 399 M N -0.707 118.606 119.600 -0.477 0.000 2.619 399 M HA 0.099 4.579 4.480 0.000 0.000 0.251 399 M C 0.826 177.035 176.300 -0.152 0.000 1.106 399 M CA 0.884 56.042 55.300 -0.237 0.000 1.086 399 M CB 0.624 33.211 32.600 -0.022 0.000 1.465 399 M HN 0.419 nan 8.290 nan 0.000 0.506 400 G N 1.488 110.172 108.800 -0.192 0.000 2.137 400 G HA2 -0.216 3.744 3.960 0.000 0.000 0.237 400 G HA3 -0.216 3.744 3.960 0.000 0.000 0.237 400 G C -0.019 174.833 174.900 -0.081 0.000 1.002 400 G CA -0.331 44.689 45.100 -0.133 0.000 0.702 400 G HN 0.380 nan 8.290 nan 0.000 0.515 401 L N -0.389 120.786 121.223 -0.080 0.000 2.466 401 L HA 0.351 4.692 4.340 0.000 0.000 0.257 401 L C 1.104 177.886 176.870 -0.148 0.000 1.189 401 L CA -0.465 54.349 54.840 -0.044 0.000 0.813 401 L CB 0.435 42.541 42.059 0.078 0.000 1.118 401 L HN 0.160 nan 8.230 nan 0.000 0.471 402 E N 0.505 120.627 120.200 -0.131 0.000 2.467 402 E HA -0.005 4.345 4.350 0.000 0.000 0.321 402 E C 0.652 176.902 176.600 -0.583 0.000 1.388 402 E CA -0.168 56.070 56.400 -0.270 0.000 1.508 402 E CB 0.004 29.555 29.700 -0.249 0.000 1.250 402 E HN 0.567 nan 8.360 nan 0.000 0.500 403 T N 0.916 115.027 114.554 -0.738 0.000 2.869 403 T HA -0.197 4.153 4.350 0.000 0.000 0.270 403 T C 1.643 175.861 174.700 -0.803 0.000 1.082 403 T CA 1.301 62.563 62.100 -1.397 0.000 1.123 403 T CB -0.266 67.988 68.868 -1.024 0.000 0.856 403 T HN 0.586 nan 8.240 nan 0.000 0.499 404 H N 1.627 120.486 119.070 -0.351 0.000 2.462 404 H HA 0.088 4.645 4.556 0.000 0.000 0.292 404 H C 0.686 176.006 175.328 -0.014 0.000 1.049 404 H CA 0.500 56.459 56.048 -0.147 0.000 1.334 404 H CB -0.037 29.662 29.762 -0.106 0.000 1.404 404 H HN 0.387 nan 8.280 nan 0.000 0.544 405 K N 0.564 120.766 120.400 -0.331 0.000 2.324 405 K HA 0.339 4.659 4.320 0.000 0.000 0.253 405 K C 0.450 177.134 176.600 0.141 0.000 0.932 405 K CA -0.719 55.547 56.287 -0.034 0.000 0.799 405 K CB 2.495 34.958 32.500 -0.063 0.000 1.154 405 K HN -0.044 nan 8.250 nan 0.000 0.425 406 L N 1.578 122.901 121.223 0.167 0.000 2.042 406 L HA -0.211 4.130 4.340 0.000 0.000 0.210 406 L C 2.465 179.385 176.870 0.082 0.000 1.076 406 L CA 1.831 56.756 54.840 0.142 0.000 0.749 406 L CB -0.581 41.519 42.059 0.069 0.000 0.893 406 L HN 1.009 nan 8.230 nan 0.000 0.432 407 A N 0.110 122.967 122.820 0.062 0.000 2.131 407 A HA -0.194 4.126 4.320 0.000 0.000 0.220 407 A C 2.413 180.024 177.584 0.046 0.000 1.158 407 A CA 1.725 53.786 52.037 0.041 0.000 0.665 407 A CB -0.578 18.443 19.000 0.036 0.000 0.795 407 A HN 0.570 nan 8.150 nan 0.000 0.460 408 S N -0.761 114.984 115.700 0.074 0.000 2.515 408 S HA 0.119 4.589 4.470 0.000 0.000 0.231 408 S C 0.866 175.525 174.600 0.098 0.000 0.987 408 S CA 0.628 58.877 58.200 0.081 0.000 0.936 408 S CB -0.667 62.580 63.200 0.079 0.000 0.766 408 S HN 0.834 nan 8.310 nan 0.000 0.528 409 L N 0.599 121.862 121.223 0.066 0.000 3.865 409 L HA -0.173 4.167 4.340 0.000 0.000 0.408 409 L C 1.652 178.523 176.870 0.002 0.000 1.209 409 L CA 0.709 55.540 54.840 -0.015 0.000 0.940 409 L CB -2.477 39.581 42.059 -0.002 0.000 1.971 409 L HN 0.751 nan 8.230 nan 0.000 0.899 410 W N 0.275 121.563 121.300 -0.020 0.000 2.363 410 W HA -0.151 4.509 4.660 0.000 0.000 0.296 410 W C 1.687 178.213 176.519 0.012 0.000 1.212 410 W CA 1.407 58.746 57.345 -0.010 0.000 1.260 410 W CB -0.754 28.683 29.460 -0.038 0.000 1.131 410 W HN 0.263 nan 8.180 nan 0.000 0.530 411 K N 0.999 120.840 120.400 -0.933 0.000 2.147 411 K HA -0.164 4.157 4.320 0.000 0.000 0.205 411 K C 1.383 177.790 176.600 -0.323 0.000 1.049 411 K CA 2.302 58.070 56.287 -0.864 0.000 0.936 411 K CB -0.305 31.604 32.500 -0.985 0.000 0.722 411 K HN 0.187 nan 8.250 nan 0.000 0.446 412 D N 0.291 120.562 120.400 -0.214 0.000 2.249 412 D HA -0.083 4.557 4.640 0.000 0.000 0.205 412 D C 1.796 178.091 176.300 -0.008 0.000 0.962 412 D CA 0.659 54.604 54.000 -0.092 0.000 0.860 412 D CB 0.151 40.909 40.800 -0.071 0.000 0.955 412 D HN 0.203 nan 8.370 nan 0.000 0.505 413 Q N 0.537 120.358 119.800 0.034 0.000 2.137 413 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 413 Q C 2.243 178.330 176.000 0.146 0.000 0.960 413 Q CA 1.066 56.932 55.803 0.104 0.000 0.847 413 Q CB -0.064 28.758 28.738 0.141 0.000 0.915 413 Q HN 0.273 nan 8.270 nan 0.000 0.448 414 A N 0.799 123.710 122.820 0.150 0.000 1.845 414 A HA -0.150 4.170 4.320 0.000 0.000 0.215 414 A C 2.280 179.963 177.584 0.165 0.000 1.195 414 A CA 1.392 53.550 52.037 0.201 0.000 0.616 414 A CB -1.123 18.014 19.000 0.228 0.000 0.832 414 A HN 0.245 nan 8.150 nan 0.000 0.443 415 V N -0.085 119.875 119.914 0.078 0.000 2.453 415 V HA -0.226 3.894 4.120 0.000 0.000 0.252 415 V C 2.428 178.559 176.094 0.063 0.000 1.068 415 V CA 2.338 64.671 62.300 0.054 0.000 1.070 415 V CB -0.363 31.447 31.823 -0.022 0.000 0.664 415 V HN 0.341 nan 8.190 nan 0.000 0.461 416 V N -0.321 119.639 119.914 0.076 0.000 2.323 416 V HA -0.113 4.007 4.120 0.000 0.000 0.244 416 V C 2.587 178.752 176.094 0.118 0.000 1.041 416 V CA 1.918 64.267 62.300 0.081 0.000 1.025 416 V CB -0.633 31.243 31.823 0.088 0.000 0.656 416 V HN 0.531 nan 8.190 nan 0.000 0.451 417 E N 0.141 120.455 120.200 0.191 0.000 2.110 417 E HA -0.149 4.201 4.350 0.000 0.000 0.193 417 E C 2.136 178.875 176.600 0.233 0.000 0.988 417 E CA 1.265 57.837 56.400 0.286 0.000 0.804 417 E CB -0.319 29.620 29.700 0.399 0.000 0.745 417 E HN 0.567 nan 8.360 nan 0.000 0.458 418 I N 1.531 122.247 120.570 0.244 0.000 2.179 418 I HA -0.266 3.904 4.170 0.000 0.000 0.242 418 I C 2.148 178.333 176.117 0.113 0.000 1.088 418 I CA 0.913 62.372 61.300 0.265 0.000 1.357 418 I CB -0.326 37.879 38.000 0.342 0.000 1.051 418 I HN 0.084 nan 8.210 nan 0.000 0.409 419 N N 0.870 119.610 118.700 0.067 0.000 2.223 419 N HA -0.116 4.625 4.740 0.000 0.000 0.185 419 N C 1.954 177.441 175.510 -0.038 0.000 1.016 419 N CA 1.278 54.319 53.050 -0.015 0.000 0.863 419 N CB 0.020 38.473 38.487 -0.057 0.000 0.983 419 N HN 0.384 nan 8.380 nan 0.000 0.429 420 I N 1.152 121.700 120.570 -0.037 0.000 2.252 420 I HA -0.202 3.968 4.170 0.000 0.000 0.245 420 I C 2.475 178.473 176.117 -0.199 0.000 1.102 420 I CA 0.537 61.767 61.300 -0.116 0.000 1.385 420 I CB -0.354 37.547 38.000 -0.165 0.000 1.064 420 I HN 0.043 nan 8.210 nan 0.000 0.414 421 A N 0.858 123.522 122.820 -0.260 0.000 1.865 421 A HA -0.183 4.137 4.320 0.000 0.000 0.217 421 A C 2.442 179.984 177.584 -0.070 0.000 1.191 421 A CA 2.008 53.839 52.037 -0.344 0.000 0.623 421 A CB -1.088 17.414 19.000 -0.830 0.000 0.826 421 A HN 0.221 nan 8.150 nan 0.000 0.444 422 V N 0.384 120.291 119.914 -0.012 0.000 2.252 422 V HA -0.281 3.839 4.120 0.000 0.000 0.249 422 V C 2.468 178.562 176.094 0.001 0.000 1.056 422 V CA 1.961 64.281 62.300 0.035 0.000 1.022 422 V CB -0.695 31.066 31.823 -0.103 0.000 0.641 422 V HN 0.522 nan 8.190 nan 0.000 0.445 423 I N 0.075 120.612 120.570 -0.056 0.000 2.179 423 I HA -0.256 3.914 4.170 0.000 0.000 0.242 423 I C 2.465 178.601 176.117 0.032 0.000 1.088 423 I CA 2.425 63.699 61.300 -0.044 0.000 1.357 423 I CB -1.306 36.673 38.000 -0.035 0.000 1.051 423 I HN 0.561 nan 8.210 nan 0.000 0.409 424 H N 0.365 119.387 119.070 -0.081 0.000 2.423 424 H HA -0.074 4.482 4.556 0.000 0.000 0.297 424 H C 2.266 177.581 175.328 -0.023 0.000 1.075 424 H CA 2.017 58.011 56.048 -0.089 0.000 1.342 424 H CB 0.207 29.847 29.762 -0.204 0.000 1.395 424 H HN 0.151 nan 8.280 nan 0.000 0.530 425 S N -0.337 115.334 115.700 -0.049 0.000 2.357 425 S HA -0.052 4.418 4.470 0.000 0.000 0.221 425 S C 1.729 176.337 174.600 0.013 0.000 1.031 425 S CA 0.921 59.086 58.200 -0.059 0.000 0.982 425 S CB -0.366 62.902 63.200 0.114 0.000 0.853 425 S HN 0.311 nan 8.310 nan 0.000 0.458 426 F N 2.258 122.154 119.950 -0.090 0.000 2.095 426 F HA -0.142 4.385 4.527 0.000 0.000 0.298 426 F C 2.637 178.382 175.800 -0.092 0.000 1.104 426 F CA 1.163 59.126 58.000 -0.060 0.000 1.232 426 F CB -0.864 38.121 39.000 -0.025 0.000 0.987 426 F HN 0.221 nan 8.300 nan 0.000 0.475 427 Q N -0.160 119.688 119.800 0.080 0.000 2.084 427 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 427 Q C 2.283 178.227 176.000 -0.093 0.000 0.978 427 Q CA 1.687 57.478 55.803 -0.020 0.000 0.844 427 Q CB -0.288 28.426 28.738 -0.040 0.000 0.898 427 Q HN 0.347 nan 8.270 nan 0.000 0.426 428 K N 0.365 120.650 120.400 -0.191 0.000 2.032 428 K HA -0.178 4.143 4.320 0.000 0.000 0.209 428 K C 1.565 178.086 176.600 -0.132 0.000 1.048 428 K CA 1.208 57.364 56.287 -0.218 0.000 0.927 428 K CB 0.216 32.494 32.500 -0.370 0.000 0.712 428 K HN 0.153 nan 8.250 nan 0.000 0.441 429 Q N 0.424 120.149 119.800 -0.125 0.000 2.365 429 Q HA 0.018 4.359 4.340 0.000 0.000 0.203 429 Q C -0.486 175.461 176.000 -0.089 0.000 0.929 429 Q CA 0.233 55.970 55.803 -0.111 0.000 0.948 429 Q CB -0.041 28.605 28.738 -0.154 0.000 1.043 429 Q HN 0.362 nan 8.270 nan 0.000 0.505 430 N N -0.419 118.240 118.700 -0.068 0.000 2.725 430 N HA -0.150 4.591 4.740 0.000 0.000 0.251 430 N C -1.326 174.162 175.510 -0.036 0.000 1.031 430 N CA 0.400 53.422 53.050 -0.048 0.000 0.720 430 N CB -1.043 37.415 38.487 -0.049 0.000 0.930 430 N HN 0.006 nan 8.380 nan 0.000 0.543 431 V N 0.102 120.010 119.914 -0.010 0.000 2.495 431 V HA 0.350 4.470 4.120 0.000 0.000 0.298 431 V C 0.815 177.016 176.094 0.178 0.000 1.031 431 V CA -0.799 61.525 62.300 0.040 0.000 0.871 431 V CB 1.974 33.746 31.823 -0.084 0.000 0.988 431 V HN 0.189 nan 8.190 nan 0.000 0.432 432 T N 6.296 120.913 114.554 0.104 0.000 2.905 432 T HA 0.362 4.712 4.350 0.000 0.000 0.299 432 T C -0.263 174.535 174.700 0.164 0.000 1.024 432 T CA 0.989 63.089 62.100 0.001 0.000 1.151 432 T CB -0.113 68.652 68.868 -0.173 0.000 0.987 432 T HN 0.566 nan 8.240 nan 0.000 0.535 433 I N 2.975 123.553 120.570 0.013 0.000 2.785 433 I HA 0.453 4.623 4.170 0.000 0.000 0.293 433 I C -1.448 174.667 176.117 -0.004 0.000 1.446 433 I CA -0.870 60.440 61.300 0.017 0.000 1.028 433 I CB 1.941 39.795 38.000 -0.244 0.000 1.349 433 I HN 0.589 nan 8.210 nan 0.000 0.438 434 M N 6.911 126.581 119.600 0.117 0.000 2.383 434 M HA 0.372 4.852 4.480 0.000 0.000 0.325 434 M C -1.077 175.271 176.300 0.080 0.000 1.092 434 M CA -0.674 54.697 55.300 0.120 0.000 0.961 434 M CB 1.461 34.227 32.600 0.276 0.000 1.672 434 M HN 0.555 nan 8.290 nan 0.000 0.438 435 D N 2.533 122.967 120.400 0.058 0.000 2.362 435 D HA -0.013 4.627 4.640 0.000 0.000 0.242 435 D C 0.528 176.860 176.300 0.054 0.000 1.132 435 D CA -0.043 53.995 54.000 0.064 0.000 0.907 435 D CB 0.621 41.451 40.800 0.051 0.000 1.195 435 D HN 0.934 nan 8.370 nan 0.000 0.429 436 H N -0.240 118.738 119.070 -0.154 0.000 2.489 436 H HA -0.137 4.419 4.556 0.000 0.000 0.293 436 H C 1.261 176.500 175.328 -0.148 0.000 1.066 436 H CA 1.139 57.079 56.048 -0.179 0.000 1.305 436 H CB -0.229 29.379 29.762 -0.257 0.000 1.386 436 H HN 0.440 nan 8.280 nan 0.000 0.551 437 H N 0.882 119.747 119.070 -0.342 0.000 2.307 437 H HA 0.013 4.569 4.556 0.000 0.000 0.303 437 H C 2.418 177.717 175.328 -0.049 0.000 1.073 437 H CA 1.395 57.312 56.048 -0.217 0.000 1.338 437 H CB -0.133 29.484 29.762 -0.242 0.000 1.389 437 H HN 0.409 nan 8.280 nan 0.000 0.503 438 S N 0.894 116.657 115.700 0.106 0.000 2.382 438 S HA -0.107 4.364 4.470 0.000 0.000 0.228 438 S C 2.453 177.129 174.600 0.127 0.000 1.027 438 S CA 0.867 59.130 58.200 0.105 0.000 0.991 438 S CB -0.284 62.971 63.200 0.091 0.000 0.823 438 S HN 0.524 nan 8.310 nan 0.000 0.469 439 A N 1.865 124.759 122.820 0.122 0.000 1.865 439 A HA 0.051 4.371 4.320 0.000 0.000 0.217 439 A C 2.403 180.086 177.584 0.164 0.000 1.191 439 A CA 1.827 53.953 52.037 0.149 0.000 0.623 439 A CB -1.246 17.829 19.000 0.126 0.000 0.826 439 A HN 0.527 nan 8.150 nan 0.000 0.444 440 A N -0.317 122.582 122.820 0.131 0.000 1.902 440 A HA -0.180 4.140 4.320 0.000 0.000 0.217 440 A C 1.910 179.628 177.584 0.225 0.000 1.181 440 A CA 1.656 53.792 52.037 0.164 0.000 0.623 440 A CB -0.584 18.484 19.000 0.115 0.000 0.818 440 A HN 0.649 nan 8.150 nan 0.000 0.443 441 E N 0.134 120.440 120.200 0.177 0.000 2.153 441 E HA -0.163 4.187 4.350 0.000 0.000 0.194 441 E C 2.326 179.032 176.600 0.176 0.000 0.988 441 E CA 1.392 57.890 56.400 0.165 0.000 0.811 441 E CB -0.187 29.586 29.700 0.122 0.000 0.746 441 E HN 0.804 nan 8.360 nan 0.000 0.466 442 S N 0.406 116.220 115.700 0.190 0.000 2.406 442 S HA -0.140 4.330 4.470 0.000 0.000 0.228 442 S C 1.869 176.614 174.600 0.241 0.000 1.020 442 S CA 0.381 58.694 58.200 0.189 0.000 0.965 442 S CB -0.361 62.949 63.200 0.183 0.000 0.798 442 S HN 0.301 nan 8.310 nan 0.000 0.488 443 F N 2.075 122.110 119.950 0.142 0.000 2.186 443 F HA 0.103 4.630 4.527 0.000 0.000 0.299 443 F C 2.206 178.139 175.800 0.223 0.000 1.090 443 F CA 1.198 59.312 58.000 0.190 0.000 1.307 443 F CB -0.280 38.808 39.000 0.147 0.000 1.019 443 F HN 0.105 nan 8.300 nan 0.000 0.489 444 M N 0.464 120.214 119.600 0.250 0.000 2.117 444 M HA -0.206 4.274 4.480 0.000 0.000 0.262 444 M C 2.244 178.580 176.300 0.060 0.000 1.065 444 M CA 1.513 56.910 55.300 0.161 0.000 1.114 444 M CB -1.396 31.328 32.600 0.208 0.000 1.361 444 M HN 0.167 nan 8.290 nan 0.000 0.408 445 K N -0.683 119.765 120.400 0.080 0.000 2.026 445 K HA -0.228 4.093 4.320 0.000 0.000 0.208 445 K C 2.203 178.805 176.600 0.002 0.000 1.048 445 K CA 1.477 57.799 56.287 0.059 0.000 0.929 445 K CB -0.347 32.205 32.500 0.086 0.000 0.713 445 K HN 0.264 nan 8.250 nan 0.000 0.439 446 Y N 1.197 121.410 120.300 -0.144 0.000 2.145 446 Y HA -0.248 4.303 4.550 0.000 0.000 0.286 446 Y C 2.244 177.932 175.900 -0.352 0.000 1.145 446 Y CA 2.140 60.105 58.100 -0.224 0.000 1.148 446 Y CB -0.370 37.934 38.460 -0.260 0.000 0.981 446 Y HN 0.084 nan 8.280 nan 0.000 0.507 447 M N 0.257 119.424 119.600 -0.722 0.000 2.108 447 M HA -0.297 4.184 4.480 0.000 0.000 0.261 447 M C 2.472 178.427 176.300 -0.576 0.000 1.066 447 M CA 2.413 57.269 55.300 -0.740 0.000 1.107 447 M CB -0.347 31.977 32.600 -0.460 0.000 1.356 447 M HN 0.543 nan 8.290 nan 0.000 0.406 448 Q N 0.208 119.812 119.800 -0.327 0.000 2.084 448 Q HA -0.210 4.130 4.340 0.000 0.000 0.202 448 Q C 1.419 177.273 176.000 -0.242 0.000 0.978 448 Q CA 2.322 57.995 55.803 -0.217 0.000 0.844 448 Q CB -0.226 28.568 28.738 0.094 0.000 0.898 448 Q HN 0.731 nan 8.270 nan 0.000 0.426 449 N N -0.318 118.237 118.700 -0.243 0.000 2.166 449 N HA -0.149 4.591 4.740 0.000 0.000 0.186 449 N C 1.613 176.933 175.510 -0.317 0.000 1.019 449 N CA 0.951 53.881 53.050 -0.200 0.000 0.856 449 N CB 0.057 38.474 38.487 -0.116 0.000 0.993 449 N HN 0.242 nan 8.380 nan 0.000 0.426 450 E N 0.580 120.445 120.200 -0.558 0.000 2.047 450 E HA -0.139 4.211 4.350 0.000 0.000 0.191 450 E C 1.601 177.848 176.600 -0.588 0.000 0.987 450 E CA 1.067 57.071 56.400 -0.661 0.000 0.799 450 E CB -0.341 28.778 29.700 -0.969 0.000 0.752 450 E HN 0.510 nan 8.360 nan 0.000 0.449 451 Y N 0.998 120.976 120.300 -0.537 0.000 2.274 451 Y HA -0.123 4.427 4.550 0.000 0.000 0.290 451 Y C 2.629 178.377 175.900 -0.252 0.000 1.145 451 Y CA 1.342 59.182 58.100 -0.433 0.000 1.203 451 Y CB -0.133 37.891 38.460 -0.726 0.000 0.984 451 Y HN -0.029 nan 8.280 nan 0.000 0.533 452 R N -0.003 120.423 120.500 -0.124 0.000 2.075 452 R HA -0.150 4.190 4.340 0.000 0.000 0.232 452 R C 2.400 178.649 176.300 -0.085 0.000 1.126 452 R CA 1.743 57.804 56.100 -0.065 0.000 0.963 452 R CB -0.213 30.055 30.300 -0.052 0.000 0.858 452 R HN 0.424 nan 8.270 nan 0.000 0.435 453 S N 0.367 115.983 115.700 -0.140 0.000 2.371 453 S HA -0.086 4.384 4.470 0.000 0.000 0.221 453 S C 1.685 176.200 174.600 -0.141 0.000 1.036 453 S CA 0.615 58.740 58.200 -0.125 0.000 0.965 453 S CB -0.082 63.039 63.200 -0.131 0.000 0.845 453 S HN 0.550 nan 8.310 nan 0.000 0.475 454 R N 0.534 120.909 120.500 -0.209 0.000 2.565 454 R HA 0.480 4.820 4.340 0.000 0.000 0.347 454 R C 0.920 177.108 176.300 -0.188 0.000 1.010 454 R CA 0.087 56.074 56.100 -0.189 0.000 1.126 454 R CB -0.374 29.796 30.300 -0.217 0.000 1.331 454 R HN 0.439 nan 8.270 nan 0.000 0.552 455 G N 0.461 109.145 108.800 -0.194 0.000 2.350 455 G HA2 -0.055 3.906 3.960 0.000 0.000 0.298 455 G HA3 -0.055 3.906 3.960 0.000 0.000 0.298 455 G C 0.181 174.934 174.900 -0.246 0.000 1.037 455 G CA 0.289 45.327 45.100 -0.103 0.000 1.074 455 G HN 0.885 nan 8.290 nan 0.000 0.511 456 G N -2.380 105.924 108.800 -0.828 0.000 2.358 456 G HA2 0.563 4.524 3.960 0.000 0.000 0.301 456 G HA3 0.563 4.524 3.960 0.000 0.000 0.301 456 G C -0.786 173.542 174.900 -0.954 0.000 1.539 456 G CA 0.221 44.796 45.100 -0.875 0.000 0.893 456 G HN 1.932 nan 8.290 nan 0.000 0.636 457 C N 2.952 121.874 119.300 -0.629 0.000 3.140 457 C HA 0.583 5.043 4.460 0.000 0.000 0.374 457 C C -2.581 172.256 174.990 -0.254 0.000 1.055 457 C CA -1.125 57.625 59.018 -0.446 0.000 1.315 457 C CB 0.799 28.216 27.740 -0.538 0.000 1.732 457 C HN 0.692 nan 8.230 nan 0.000 0.532 458 P HA 0.374 nan 4.420 nan 0.000 0.267 458 P C -0.505 176.678 177.300 -0.196 0.000 1.209 458 P CA 0.754 63.404 63.100 -0.750 0.000 0.763 458 P CB 1.050 32.196 31.700 -0.923 0.000 0.816 459 A N 2.734 125.522 122.820 -0.054 0.000 2.455 459 A HA 0.453 4.774 4.320 0.000 0.000 0.300 459 A C -1.131 176.520 177.584 0.111 0.000 1.040 459 A CA -0.527 51.583 52.037 0.121 0.000 0.697 459 A CB 1.387 20.576 19.000 0.315 0.000 1.265 459 A HN 0.435 nan 8.150 nan 0.000 0.407 460 D N 1.785 122.243 120.400 0.098 0.000 2.460 460 D HA 0.175 4.815 4.640 0.000 0.000 0.232 460 D C 0.747 177.175 176.300 0.212 0.000 1.079 460 D CA -0.546 53.542 54.000 0.147 0.000 0.864 460 D CB 0.404 41.250 40.800 0.077 0.000 1.048 460 D HN 0.585 nan 8.370 nan 0.000 0.523 461 W N 4.541 125.890 121.300 0.082 0.000 2.305 461 W HA -0.228 4.432 4.660 0.000 0.000 0.308 461 W C 1.676 178.243 176.519 0.080 0.000 1.226 461 W CA 1.305 58.687 57.345 0.061 0.000 1.253 461 W CB -0.065 29.415 29.460 0.034 0.000 1.146 461 W HN 0.482 nan 8.180 nan 0.000 0.507 462 I N -1.151 119.711 120.570 0.486 0.000 2.335 462 I HA -0.300 3.870 4.170 0.000 0.000 0.251 462 I C 1.719 177.954 176.117 0.196 0.000 1.129 462 I CA 1.450 62.986 61.300 0.394 0.000 1.402 462 I CB -0.651 37.598 38.000 0.415 0.000 1.069 462 I HN 0.105 nan 8.210 nan 0.000 0.424 463 W N -0.653 120.638 121.300 -0.015 0.000 2.683 463 W HA 0.068 4.728 4.660 0.000 0.000 0.267 463 W C 2.100 178.524 176.519 -0.159 0.000 1.243 463 W CA -0.060 57.249 57.345 -0.059 0.000 1.380 463 W CB -0.197 29.253 29.460 -0.016 0.000 1.063 463 W HN -0.068 nan 8.180 nan 0.000 0.599 464 L N -0.176 121.025 121.223 -0.036 0.000 2.109 464 L HA 0.007 4.347 4.340 0.000 0.000 0.207 464 L C 0.796 177.473 176.870 -0.322 0.000 1.086 464 L CA 0.905 55.588 54.840 -0.262 0.000 0.760 464 L CB -1.615 40.178 42.059 -0.444 0.000 0.910 464 L HN -0.381 nan 8.230 nan 0.000 0.437 465 V N 1.715 121.361 119.914 -0.448 0.000 2.479 465 V HA 0.093 4.213 4.120 0.000 0.000 0.281 465 V C -1.758 174.184 176.094 -0.252 0.000 1.031 465 V CA -1.306 60.723 62.300 -0.452 0.000 1.038 465 V CB 0.186 31.491 31.823 -0.862 0.000 0.981 465 V HN 0.169 nan 8.190 nan 0.000 0.478 466 P HA 0.100 nan 4.420 nan 0.000 0.268 466 P C -2.016 175.196 177.300 -0.146 0.000 1.208 466 P CA -0.904 62.121 63.100 -0.126 0.000 0.777 466 P CB 0.075 31.764 31.700 -0.019 0.000 0.875 467 P HA 0.153 nan 4.420 nan 0.000 0.257 467 P C -0.139 177.069 177.300 -0.153 0.000 1.325 467 P CA 0.864 63.867 63.100 -0.161 0.000 0.850 467 P CB 0.404 31.993 31.700 -0.184 0.000 1.324 468 M N -0.611 118.883 119.600 -0.178 0.000 2.421 468 M HA 0.252 4.732 4.480 0.000 0.000 0.287 468 M C -0.645 175.619 176.300 -0.060 0.000 1.183 468 M CA -0.349 54.854 55.300 -0.162 0.000 0.916 468 M CB 1.942 34.363 32.600 -0.298 0.000 1.701 468 M HN -0.286 nan 8.290 nan 0.000 0.470 469 S N 1.924 117.623 115.700 -0.001 0.000 3.614 469 S HA -0.179 4.291 4.470 0.000 0.000 0.360 469 S C 1.009 175.615 174.600 0.009 0.000 1.023 469 S CA 0.721 58.954 58.200 0.055 0.000 1.114 469 S CB -1.813 61.516 63.200 0.215 0.000 0.907 469 S HN 1.126 nan 8.310 nan 0.000 0.470 470 G N 2.557 111.320 108.800 -0.061 0.000 2.672 470 G HA2 -0.344 3.616 3.960 0.000 0.000 0.218 470 G HA3 -0.344 3.616 3.960 0.000 0.000 0.218 470 G C 1.491 176.223 174.900 -0.280 0.000 1.238 470 G CA 1.596 46.640 45.100 -0.094 0.000 0.791 470 G HN 1.324 nan 8.290 nan 0.000 0.606 471 S N 0.285 115.513 115.700 -0.786 0.000 2.547 471 S HA 0.043 4.513 4.470 0.000 0.000 0.235 471 S C 2.052 176.549 174.600 -0.171 0.000 0.980 471 S CA 0.755 58.366 58.200 -0.981 0.000 0.941 471 S CB -0.122 62.388 63.200 -1.151 0.000 0.763 471 S HN 0.232 nan 8.310 nan 0.000 0.532 472 I N 2.818 123.352 120.570 -0.060 0.000 2.928 472 I HA 0.022 4.192 4.170 0.000 0.000 0.266 472 I C 1.350 177.558 176.117 0.151 0.000 1.234 472 I CA 0.709 62.056 61.300 0.079 0.000 1.483 472 I CB -1.954 36.113 38.000 0.113 0.000 1.097 472 I HN 0.505 nan 8.210 nan 0.000 0.455 473 T N -1.977 112.661 114.554 0.140 0.000 2.902 473 T HA 0.350 4.700 4.350 0.000 0.000 0.283 473 T C -1.819 173.029 174.700 0.247 0.000 1.009 473 T CA -1.809 60.398 62.100 0.179 0.000 1.051 473 T CB 2.283 71.221 68.868 0.117 0.000 0.999 473 T HN -0.196 nan 8.240 nan 0.000 0.474 474 P HA -0.064 nan 4.420 nan 0.000 0.219 474 P C 1.635 179.132 177.300 0.327 0.000 1.146 474 P CA 0.416 63.714 63.100 0.330 0.000 0.808 474 P CB -0.079 31.767 31.700 0.245 0.000 0.779 475 V N -0.980 119.072 119.914 0.229 0.000 2.407 475 V HA -0.236 3.884 4.120 0.000 0.000 0.248 475 V C 2.106 178.256 176.094 0.093 0.000 1.055 475 V CA 1.556 63.946 62.300 0.149 0.000 1.049 475 V CB -1.385 30.429 31.823 -0.015 0.000 0.662 475 V HN 0.055 nan 8.190 nan 0.000 0.455 476 F N 1.457 121.356 119.950 -0.086 0.000 2.126 476 F HA -0.240 4.287 4.527 0.000 0.000 0.299 476 F C 2.176 178.168 175.800 0.319 0.000 1.096 476 F CA 2.178 60.167 58.000 -0.018 0.000 1.255 476 F CB -0.356 38.504 39.000 -0.234 0.000 0.997 476 F HN 0.311 nan 8.300 nan 0.000 0.479 477 H N -1.535 117.858 119.070 0.538 0.000 2.543 477 H HA 0.114 4.670 4.556 0.000 0.000 0.269 477 H C 0.150 175.716 175.328 0.397 0.000 1.005 477 H CA 0.016 56.340 56.048 0.460 0.000 1.146 477 H CB -0.083 29.941 29.762 0.436 0.000 1.353 477 H HN 0.164 nan 8.280 nan 0.000 0.595 478 Q N 1.906 121.984 119.800 0.463 0.000 2.325 478 Q HA 0.155 4.495 4.340 0.000 0.000 0.262 478 Q C -0.798 175.443 176.000 0.401 0.000 0.968 478 Q CA -0.546 55.479 55.803 0.370 0.000 0.877 478 Q CB 0.749 29.699 28.738 0.354 0.000 1.253 478 Q HN 0.334 nan 8.270 nan 0.000 0.448 479 E N 3.574 123.937 120.200 0.272 0.000 2.383 479 E HA 0.356 4.707 4.350 0.000 0.000 0.264 479 E C -0.488 176.260 176.600 0.247 0.000 1.050 479 E CA 0.144 56.679 56.400 0.225 0.000 0.896 479 E CB 0.937 30.736 29.700 0.165 0.000 0.982 479 E HN 0.603 nan 8.360 nan 0.000 0.424 480 M N 1.715 121.462 119.600 0.246 0.000 2.618 480 M HA 0.433 4.913 4.480 0.000 0.000 0.281 480 M C -1.224 175.205 176.300 0.215 0.000 1.267 480 M CA -0.659 54.805 55.300 0.274 0.000 0.845 480 M CB 1.889 34.691 32.600 0.337 0.000 1.732 480 M HN 0.244 nan 8.290 nan 0.000 0.461 481 L N 1.416 122.785 121.223 0.243 0.000 2.362 481 L HA 0.543 4.883 4.340 0.000 0.000 0.275 481 L C -1.023 175.955 176.870 0.179 0.000 0.998 481 L CA -0.695 54.289 54.840 0.239 0.000 0.820 481 L CB 1.933 44.197 42.059 0.343 0.000 1.270 481 L HN 0.628 nan 8.230 nan 0.000 0.415 482 N N 2.976 121.769 118.700 0.155 0.000 2.446 482 N HA 0.511 5.251 4.740 0.000 0.000 0.265 482 N C -1.644 173.932 175.510 0.111 0.000 0.975 482 N CA -0.248 52.823 53.050 0.034 0.000 0.928 482 N CB 0.797 39.323 38.487 0.063 0.000 1.160 482 N HN 0.364 nan 8.380 nan 0.000 0.495 483 Y N -0.024 120.275 120.300 -0.002 0.000 2.571 483 Y HA 0.613 5.163 4.550 0.000 0.000 0.341 483 Y C -1.185 174.630 175.900 -0.141 0.000 1.076 483 Y CA -1.370 56.699 58.100 -0.052 0.000 1.029 483 Y CB 0.634 39.088 38.460 -0.010 0.000 1.308 483 Y HN -0.010 nan 8.280 nan 0.000 0.461 484 V N 4.354 124.189 119.914 -0.130 0.000 2.348 484 V HA 0.346 4.466 4.120 0.000 0.000 0.270 484 V C 0.215 176.129 176.094 -0.300 0.000 1.037 484 V CA -0.380 61.585 62.300 -0.557 0.000 0.872 484 V CB 0.262 31.602 31.823 -0.805 0.000 1.002 484 V HN 0.747 nan 8.190 nan 0.000 0.464 485 L N 2.926 124.018 121.223 -0.218 0.000 2.874 485 L HA 0.706 5.047 4.340 0.000 0.000 0.229 485 L C 0.415 177.269 176.870 -0.027 0.000 1.200 485 L CA -0.415 54.405 54.840 -0.034 0.000 0.976 485 L CB 1.252 43.339 42.059 0.046 0.000 1.887 485 L HN 0.606 nan 8.230 nan 0.000 0.543 486 S N -0.033 115.700 115.700 0.055 0.000 2.572 486 S HA 0.490 4.961 4.470 0.000 0.000 0.274 486 S C -2.758 171.914 174.600 0.120 0.000 1.150 486 S CA -1.200 57.065 58.200 0.110 0.000 0.944 486 S CB 1.868 65.153 63.200 0.142 0.000 1.071 486 S HN 0.226 nan 8.310 nan 0.000 0.479 487 P HA 0.334 nan 4.420 nan 0.000 0.269 487 P C -1.118 176.166 177.300 -0.028 0.000 1.215 487 P CA -0.158 62.943 63.100 0.000 0.000 0.780 487 P CB 0.251 31.872 31.700 -0.131 0.000 0.898 488 F N 1.235 121.029 119.950 -0.260 0.000 2.619 488 F HA 0.392 4.919 4.527 0.000 0.000 0.308 488 F C -1.344 174.230 175.800 -0.376 0.000 1.097 488 F CA -0.976 56.782 58.000 -0.404 0.000 0.953 488 F CB 1.407 40.108 39.000 -0.499 0.000 1.287 488 F HN 0.120 nan 8.300 nan 0.000 0.446 489 Y N 5.129 124.889 120.300 -0.900 0.000 2.518 489 Y HA 0.376 4.926 4.550 0.000 0.000 0.344 489 Y C -0.819 174.651 175.900 -0.716 0.000 0.982 489 Y CA -0.738 57.017 58.100 -0.575 0.000 1.234 489 Y CB -0.097 38.048 38.460 -0.525 0.000 1.114 489 Y HN 0.383 nan 8.280 nan 0.000 0.515 490 Y N 1.207 121.478 120.300 -0.049 0.000 2.432 490 Y HA 0.379 4.930 4.550 0.000 0.000 0.322 490 Y C -0.110 175.772 175.900 -0.031 0.000 1.246 490 Y CA -0.982 57.118 58.100 -0.001 0.000 1.268 490 Y CB 0.789 39.350 38.460 0.168 0.000 1.276 490 Y HN 0.393 nan 8.280 nan 0.000 0.499 491 Y N 0.308 120.756 120.300 0.247 0.000 2.289 491 Y HA 0.381 4.931 4.550 0.000 0.000 0.332 491 Y C 0.097 176.051 175.900 0.091 0.000 1.324 491 Y CA -0.946 57.221 58.100 0.112 0.000 1.478 491 Y CB 0.563 39.064 38.460 0.069 0.000 1.378 491 Y HN 0.444 nan 8.280 nan 0.000 0.558 492 Q N -0.723 119.195 119.800 0.196 0.000 2.544 492 Q HA 0.556 4.896 4.340 0.000 0.000 0.291 492 Q C -1.566 174.404 176.000 -0.050 0.000 1.068 492 Q CA -1.279 54.555 55.803 0.051 0.000 0.785 492 Q CB 2.496 31.235 28.738 0.001 0.000 1.481 492 Q HN 0.303 nan 8.270 nan 0.000 0.430 493 V N 1.471 121.317 119.914 -0.115 0.000 2.614 493 V HA 0.030 4.150 4.120 0.000 0.000 0.291 493 V C -0.026 175.848 176.094 -0.368 0.000 1.049 493 V CA -0.070 62.109 62.300 -0.201 0.000 1.038 493 V CB 0.754 32.470 31.823 -0.178 0.000 0.980 493 V HN 0.659 nan 8.190 nan 0.000 0.481 494 E N 2.866 122.739 120.200 -0.544 0.000 2.652 494 E HA 0.065 4.415 4.350 0.000 0.000 0.255 494 E C 1.285 177.222 176.600 -1.104 0.000 0.952 494 E CA 0.540 56.330 56.400 -1.017 0.000 0.947 494 E CB 0.580 29.347 29.700 -1.554 0.000 0.912 494 E HN 0.803 nan 8.360 nan 0.000 0.489 495 A N 4.520 126.690 122.820 -1.084 0.000 1.903 495 A HA -0.236 4.084 4.320 0.000 0.000 0.219 495 A C 1.737 178.672 177.584 -1.081 0.000 1.191 495 A CA 2.131 53.501 52.037 -1.112 0.000 0.638 495 A CB -1.013 16.961 19.000 -1.710 0.000 0.823 495 A HN 0.973 nan 8.150 nan 0.000 0.451 496 W N -0.213 120.473 121.300 -1.023 0.000 2.421 496 W HA -0.009 4.652 4.660 0.000 0.000 0.270 496 W C 1.485 177.969 176.519 -0.058 0.000 1.233 496 W CA 1.066 58.162 57.345 -0.414 0.000 1.226 496 W CB -0.256 29.219 29.460 0.026 0.000 1.121 496 W HN 0.168 nan 8.180 nan 0.000 0.579 497 K N 0.259 120.462 120.400 -0.329 0.000 2.228 497 K HA -0.027 4.294 4.320 0.000 0.000 0.202 497 K C 1.964 178.517 176.600 -0.077 0.000 1.051 497 K CA 1.785 57.991 56.287 -0.135 0.000 0.960 497 K CB -0.197 32.137 32.500 -0.277 0.000 0.743 497 K HN 0.373 nan 8.250 nan 0.000 0.458 498 T N -3.314 111.155 114.554 -0.143 0.000 2.990 498 T HA -0.002 4.348 4.350 0.000 0.000 0.249 498 T C 0.525 175.203 174.700 -0.037 0.000 1.039 498 T CA -0.259 61.788 62.100 -0.088 0.000 1.036 498 T CB -0.254 68.536 68.868 -0.131 0.000 0.994 498 T HN 0.095 nan 8.240 nan 0.000 0.489 499 H N 2.083 121.089 119.070 -0.106 0.000 3.091 499 H HA 0.401 4.957 4.556 0.000 0.000 0.289 499 H C -0.194 175.117 175.328 -0.028 0.000 0.995 499 H CA -0.194 55.803 56.048 -0.086 0.000 1.461 499 H CB 0.430 30.150 29.762 -0.070 0.000 1.510 499 H HN 0.178 nan 8.280 nan 0.000 0.546 500 V N 8.127 127.658 119.914 -0.638 0.000 2.389 500 V HA 0.144 4.264 4.120 0.000 0.000 0.264 500 V C -0.694 175.021 176.094 -0.633 0.000 1.049 500 V CA -0.607 61.468 62.300 -0.375 0.000 0.932 500 V CB -0.444 31.257 31.823 -0.204 0.000 1.011 500 V HN 0.745 nan 8.190 nan 0.000 0.475 501 W N 6.807 127.964 121.300 -0.238 0.000 2.216 501 W HA 0.414 5.074 4.660 0.000 0.000 0.326 501 W C 0.608 177.116 176.519 -0.018 0.000 1.319 501 W CA -0.036 57.307 57.345 -0.005 0.000 1.213 501 W CB 0.589 30.135 29.460 0.143 0.000 1.171 501 W HN 0.700 nan 8.180 nan 0.000 0.557 502 Q N 1.562 121.488 119.800 0.211 0.000 2.990 502 Q HA 0.865 5.205 4.340 0.000 0.000 0.255 502 Q C -0.596 175.489 176.000 0.141 0.000 1.040 502 Q CA -0.080 55.796 55.803 0.121 0.000 0.897 502 Q CB 1.266 30.031 28.738 0.045 0.000 1.429 502 Q HN 0.563 nan 8.270 nan 0.000 0.497 503 D N 0.000 120.453 120.400 0.088 0.000 6.856 503 D HA 0.000 4.640 4.640 0.000 0.000 0.175 503 D CA 0.000 nan 54.000 nan 0.000 0.868 503 D CB 0.000 nan 40.800 nan 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683