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 2z1f_1_A DATA FIRST_RESID 5 DATA SEQUENCE IKLXXGAGGE XXXXXXXXXX XXXXXXXXXX XXXXXXXXDG ATIPFGDKHI DATA SEQUENCE VFTIDGHTVK PLFFPGGDIG RLAVSGTVND LAVMGAEPIA LANSMIIGEG DATA SEQUENCE LDMEVLKRVL KSMDETAREV PVPIVTGDTK VVEDKIEMFV ITAGIGIAEH DATA SEQUENCE PVSDAGAKVG DAVLVSGTIG DHGIALMSHR EGIAFETELK SDVAPIWDVV DATA SEQUENCE KAVAETIGWE NIHAMKDPTR AGLSNALNEI ARKSNVGILV READIPIRPE DATA SEQUENCE VRAASEMLGI SPYDVANEGK VVMVVAREYA EEALEAMRKT EKGRNAAIIG DATA SEQUENCE EVIADYRGKV LLETGIGGKR FMEPPEGDPV PRIC 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.098 176.117 -0.032 0.000 1.063 5 I CA 0.000 61.286 61.300 -0.024 0.000 1.566 5 I CB 0.000 37.987 38.000 -0.022 0.000 1.214 6 K N 2.391 122.773 120.400 -0.030 0.000 2.244 6 K HA 1.165 5.586 4.320 0.169 0.000 0.260 6 K C -0.507 176.079 176.600 -0.023 0.000 0.951 6 K CA 0.290 56.554 56.287 -0.039 0.000 0.826 6 K CB 1.461 33.934 32.500 -0.044 0.000 1.108 6 K HN 2.547 nan 8.250 nan 0.000 0.433 11 A N 0.411 123.231 122.820 0.001 0.000 2.587 11 A HA 0.526 4.947 4.320 0.169 0.000 0.235 11 A C 1.432 179.019 177.584 0.004 0.000 1.044 11 A CA 1.106 53.143 52.037 0.001 0.000 0.754 11 A CB 0.026 19.026 19.000 0.000 0.000 0.968 11 A HN 2.161 nan 8.150 nan 0.000 0.509 12 G N 0.900 109.702 108.800 0.003 0.000 2.732 12 G HA2 0.568 4.629 3.960 0.169 0.000 0.244 12 G HA3 0.568 4.629 3.960 0.169 0.000 0.244 12 G C 0.923 175.827 174.900 0.006 0.000 1.226 12 G CA 0.567 45.671 45.100 0.005 0.000 0.860 12 G HN 2.473 nan 8.290 nan 0.000 0.583 13 G N -0.323 108.483 108.800 0.009 0.000 2.693 13 G HA2 -0.027 4.035 3.960 0.169 0.000 0.226 13 G HA3 -0.027 4.035 3.960 0.169 0.000 0.226 13 G C 0.049 174.953 174.900 0.006 0.000 1.354 13 G CA 0.341 45.445 45.100 0.007 0.000 0.873 13 G HN 1.170 nan 8.290 nan 0.000 0.562 44 G N 0.994 109.772 108.800 -0.036 0.000 2.562 44 G HA2 0.450 4.511 3.960 0.169 0.000 0.233 44 G HA3 0.450 4.511 3.960 0.169 0.000 0.233 44 G C 0.004 174.898 174.900 -0.011 0.000 1.266 44 G CA 0.079 45.156 45.100 -0.039 0.000 0.852 44 G HN 0.440 nan 8.290 nan 0.000 0.581 45 A N 0.787 123.613 122.820 0.010 0.000 2.340 45 A HA 0.809 5.230 4.320 0.169 0.000 0.331 45 A C 0.208 177.849 177.584 0.095 0.000 1.140 45 A CA -0.512 51.557 52.037 0.053 0.000 0.801 45 A CB 1.595 20.637 19.000 0.070 0.000 1.234 45 A HN 0.687 nan 8.150 nan 0.000 0.469 46 T N 1.846 116.451 114.554 0.086 0.000 2.823 46 T HA 0.599 5.050 4.350 0.169 0.000 0.279 46 T C -0.496 174.268 174.700 0.107 0.000 0.998 46 T CA 0.090 62.251 62.100 0.101 0.000 0.994 46 T CB 0.463 69.388 68.868 0.094 0.000 0.960 46 T HN 0.419 nan 8.240 nan 0.000 0.448 47 I N 5.481 126.117 120.570 0.109 0.000 2.439 47 I HA 0.322 4.594 4.170 0.169 0.000 0.285 47 I C -2.268 173.881 176.117 0.053 0.000 1.021 47 I CA -2.618 58.730 61.300 0.079 0.000 1.091 47 I CB 2.406 40.454 38.000 0.079 0.000 1.242 47 I HN 0.330 nan 8.210 nan 0.000 0.439 48 P HA 0.077 nan 4.420 nan 0.000 0.276 48 P C -0.979 176.283 177.300 -0.063 0.000 1.235 48 P CA 0.123 63.140 63.100 -0.138 0.000 0.772 48 P CB 0.630 32.238 31.700 -0.154 0.000 0.871 49 F N 3.718 123.542 119.950 -0.209 0.000 2.552 49 F HA 0.458 5.086 4.527 0.168 0.000 0.369 49 F C 1.011 176.723 175.800 -0.147 0.000 1.112 49 F CA 0.436 58.350 58.000 -0.143 0.000 1.129 49 F CB 0.696 39.627 39.000 -0.115 0.000 1.360 49 F HN 0.695 nan 8.300 nan 0.000 0.473 50 G N 3.107 111.866 108.800 -0.068 0.000 2.596 50 G HA2 -0.466 3.595 3.960 0.169 0.000 0.304 50 G HA3 -0.466 3.595 3.960 0.169 0.000 0.304 50 G C 0.668 175.548 174.900 -0.033 0.000 1.189 50 G CA 0.792 45.882 45.100 -0.017 0.000 0.986 50 G HN 0.783 nan 8.290 nan 0.000 0.548 51 D N 0.726 121.129 120.400 0.005 0.000 2.333 51 D HA 0.398 5.139 4.640 0.169 0.000 0.208 51 D C 1.358 177.623 176.300 -0.059 0.000 0.984 51 D CA 1.962 55.945 54.000 -0.028 0.000 0.873 51 D CB -0.003 40.796 40.800 -0.003 0.000 0.935 51 D HN 0.674 nan 8.370 nan 0.000 0.521 52 K N -0.673 119.696 120.400 -0.052 0.000 2.288 52 K HA 0.541 4.962 4.320 0.169 0.000 0.234 52 K C -0.801 175.685 176.600 -0.191 0.000 1.037 52 K CA -0.691 55.567 56.287 -0.047 0.000 0.914 52 K CB 1.610 34.093 32.500 -0.027 0.000 1.197 52 K HN 0.337 nan 8.250 nan 0.000 0.471 53 H N 0.902 119.950 119.070 -0.038 0.000 2.547 53 H HA 0.296 4.953 4.556 0.168 0.000 0.342 53 H C -0.693 174.612 175.328 -0.040 0.000 1.048 53 H CA -0.839 55.197 56.048 -0.020 0.000 1.204 53 H CB 1.231 30.966 29.762 -0.045 0.000 1.493 53 H HN 0.171 nan 8.280 nan 0.000 0.511 54 I N 3.923 124.541 120.570 0.080 0.000 2.353 54 I HA 0.130 4.402 4.170 0.169 0.000 0.293 54 I C 0.466 176.620 176.117 0.061 0.000 0.992 54 I CA -0.638 60.676 61.300 0.024 0.000 1.268 54 I CB 1.436 39.438 38.000 0.002 0.000 1.387 54 I HN 0.250 nan 8.210 nan 0.000 0.478 55 V N 7.130 127.069 119.914 0.041 0.000 2.483 55 V HA 0.433 4.654 4.120 0.169 0.000 0.295 55 V C -0.632 175.558 176.094 0.159 0.000 1.035 55 V CA -0.683 61.663 62.300 0.077 0.000 0.896 55 V CB 2.097 33.930 31.823 0.017 0.000 0.986 55 V HN 0.487 nan 8.190 nan 0.000 0.447 56 F N 3.516 123.455 119.950 -0.018 0.000 2.539 56 F HA 0.766 5.395 4.527 0.170 0.000 0.318 56 F C -0.277 175.515 175.800 -0.015 0.000 1.135 56 F CA -0.406 57.584 58.000 -0.018 0.000 0.915 56 F CB 1.968 40.964 39.000 -0.006 0.000 1.176 56 F HN 0.530 nan 8.300 nan 0.000 0.440 57 T N 6.895 121.368 114.554 -0.136 0.000 2.883 57 T HA 0.757 5.208 4.350 0.169 0.000 0.301 57 T C -1.835 172.687 174.700 -0.298 0.000 1.158 57 T CA -0.526 61.423 62.100 -0.252 0.000 1.007 57 T CB 1.363 70.179 68.868 -0.087 0.000 1.186 57 T HN 0.712 nan 8.240 nan 0.000 0.499 58 I N 2.010 122.421 120.570 -0.265 0.000 2.827 58 I HA 0.670 4.941 4.170 0.169 0.000 0.298 58 I C -2.099 173.931 176.117 -0.146 0.000 1.235 58 I CA -0.507 60.679 61.300 -0.191 0.000 1.021 58 I CB 2.245 40.102 38.000 -0.239 0.000 1.259 58 I HN 0.701 nan 8.210 nan 0.000 0.427 59 D N 3.795 124.120 120.400 -0.125 0.000 2.886 59 D HA 0.573 5.314 4.640 0.169 0.000 0.216 59 D C -0.798 175.294 176.300 -0.347 0.000 1.256 59 D CA -0.024 53.848 54.000 -0.215 0.000 0.844 59 D CB 2.249 42.948 40.800 -0.168 0.000 1.669 59 D HN 0.722 nan 8.370 nan 0.000 0.513 60 G N 1.397 109.951 108.800 -0.410 0.000 2.412 60 G HA2 0.539 4.600 3.960 0.169 0.000 0.318 60 G HA3 0.539 4.600 3.960 0.169 0.000 0.318 60 G C -0.881 173.618 174.900 -0.668 0.000 1.146 60 G CA -0.361 44.510 45.100 -0.381 0.000 0.882 60 G HN 0.485 nan 8.290 nan 0.000 0.501 61 H N 0.363 119.426 119.070 -0.012 0.000 2.689 61 H HA 0.363 5.019 4.556 0.166 0.000 0.346 61 H C -0.080 175.292 175.328 0.074 0.000 1.037 61 H CA -0.270 55.793 56.048 0.025 0.000 1.234 61 H CB 2.067 31.860 29.762 0.050 0.000 1.572 61 H HN 0.608 nan 8.280 nan 0.000 0.524 62 T N -0.615 114.026 114.554 0.145 0.000 3.288 62 T HA 0.096 4.548 4.350 0.169 0.000 0.293 62 T C 0.562 175.396 174.700 0.224 0.000 1.008 62 T CA -0.329 61.884 62.100 0.190 0.000 0.929 62 T CB -0.202 68.618 68.868 -0.079 0.000 1.152 62 T HN 0.238 nan 8.240 nan 0.000 0.517 63 V N 2.215 122.256 119.914 0.212 0.000 2.720 63 V HA 0.296 4.517 4.120 0.169 0.000 0.307 63 V C -0.005 176.202 176.094 0.188 0.000 1.071 63 V CA 0.537 62.944 62.300 0.179 0.000 1.199 63 V CB 0.552 32.496 31.823 0.201 0.000 0.900 63 V HN 0.644 nan 8.190 nan 0.000 0.494 64 K N 8.323 128.816 120.400 0.155 0.000 2.535 64 K HA 0.573 4.994 4.320 0.169 0.000 0.250 64 K C -2.735 173.953 176.600 0.146 0.000 0.948 64 K CA -1.661 54.718 56.287 0.153 0.000 0.796 64 K CB 2.342 34.927 32.500 0.142 0.000 1.216 64 K HN 0.568 nan 8.250 nan 0.000 0.432 65 P HA 0.048 nan 4.420 nan 0.000 0.272 65 P C 0.790 178.215 177.300 0.208 0.000 1.240 65 P CA -0.368 62.843 63.100 0.185 0.000 0.791 65 P CB 0.828 32.648 31.700 0.201 0.000 0.978 66 L N -0.915 120.413 121.223 0.174 0.000 2.201 66 L HA -0.020 4.421 4.340 0.169 0.000 0.212 66 L C 0.823 177.569 176.870 -0.206 0.000 1.105 66 L CA 1.228 56.093 54.840 0.043 0.000 0.775 66 L CB -0.482 41.600 42.059 0.037 0.000 0.913 66 L HN 0.252 nan 8.230 nan 0.000 0.440 67 F N -0.648 119.305 119.950 0.005 0.000 2.495 67 F HA 0.494 5.121 4.527 0.167 0.000 0.327 67 F C -0.058 175.686 175.800 -0.093 0.000 1.103 67 F CA -1.109 56.790 58.000 -0.168 0.000 0.949 67 F CB 1.773 40.690 39.000 -0.140 0.000 1.142 67 F HN -0.218 nan 8.300 nan 0.000 0.457 68 F N 0.345 120.315 119.950 0.034 0.000 2.664 68 F HA 0.781 5.406 4.527 0.163 0.000 0.317 68 F C -3.197 172.556 175.800 -0.079 0.000 1.108 68 F CA -3.716 54.215 58.000 -0.116 0.000 0.957 68 F CB 0.137 39.074 39.000 -0.104 0.000 1.365 68 F HN 0.060 nan 8.300 nan 0.000 0.475 69 P HA 0.292 nan 4.420 nan 0.000 0.266 69 P C 0.625 178.054 177.300 0.215 0.000 1.215 69 P CA 1.443 64.614 63.100 0.118 0.000 0.763 69 P CB 0.590 32.356 31.700 0.109 0.000 0.806 70 G N 1.959 110.823 108.800 0.107 0.000 2.175 70 G HA2 0.024 4.086 3.960 0.169 0.000 0.244 70 G HA3 0.024 4.086 3.960 0.169 0.000 0.244 70 G C 0.364 175.293 174.900 0.048 0.000 0.982 70 G CA -0.186 44.984 45.100 0.117 0.000 0.641 70 G HN 0.975 nan 8.290 nan 0.000 0.527 71 G N -0.762 107.891 108.800 -0.246 0.000 2.348 71 G HA2 0.749 4.810 3.960 0.169 0.000 0.296 71 G HA3 0.749 4.810 3.960 0.169 0.000 0.296 71 G C -1.464 172.642 174.900 -1.323 0.000 1.258 71 G CA 0.739 45.488 45.100 -0.585 0.000 0.868 71 G HN 1.518 nan 8.290 nan 0.000 0.488 72 D N -2.425 117.254 120.400 -1.201 0.000 2.692 72 D HA 0.349 5.090 4.640 0.169 0.000 0.290 72 D C 0.938 176.953 176.300 -0.476 0.000 1.281 72 D CA -0.605 52.729 54.000 -1.110 0.000 0.804 72 D CB 1.111 41.189 40.800 -1.203 0.000 1.331 72 D HN 0.607 nan 8.370 nan 0.000 0.432 73 I N 0.257 120.628 120.570 -0.332 0.000 2.423 73 I HA -0.057 4.214 4.170 0.169 0.000 0.254 73 I C 1.800 177.826 176.117 -0.151 0.000 1.151 73 I CA 2.008 63.251 61.300 -0.095 0.000 1.421 73 I CB -0.250 37.725 38.000 -0.042 0.000 1.079 73 I HN 0.622 nan 8.210 nan 0.000 0.431 74 G N 0.272 108.944 108.800 -0.214 0.000 2.404 74 G HA2 -0.265 3.796 3.960 0.169 0.000 0.214 74 G HA3 -0.265 3.796 3.960 0.169 0.000 0.214 74 G C 1.752 176.577 174.900 -0.126 0.000 1.189 74 G CA 0.649 45.664 45.100 -0.141 0.000 0.789 74 G HN 0.347 nan 8.290 nan 0.000 0.533 75 R N -0.327 120.089 120.500 -0.139 0.000 2.096 75 R HA -0.001 4.440 4.340 0.169 0.000 0.235 75 R C 2.438 178.687 176.300 -0.085 0.000 1.127 75 R CA 1.259 57.305 56.100 -0.090 0.000 0.968 75 R CB -0.347 29.903 30.300 -0.084 0.000 0.861 75 R HN 0.350 nan 8.270 nan 0.000 0.440 76 L N 0.527 121.694 121.223 -0.094 0.000 2.046 76 L HA -0.034 4.407 4.340 0.169 0.000 0.208 76 L C 2.234 178.862 176.870 -0.403 0.000 1.077 76 L CA 2.137 56.882 54.840 -0.157 0.000 0.747 76 L CB -0.661 41.359 42.059 -0.064 0.000 0.896 76 L HN 0.217 nan 8.230 nan 0.000 0.432 77 A N -0.966 121.576 122.820 -0.463 0.000 1.883 77 A HA -0.156 4.265 4.320 0.169 0.000 0.217 77 A C 2.245 179.743 177.584 -0.144 0.000 1.186 77 A CA 2.213 53.978 52.037 -0.453 0.000 0.624 77 A CB -1.163 17.751 19.000 -0.144 0.000 0.822 77 A HN 0.320 nan 8.150 nan 0.000 0.444 78 V N -0.263 119.596 119.914 -0.092 0.000 2.307 78 V HA -0.192 4.029 4.120 0.169 0.000 0.245 78 V C 2.795 178.876 176.094 -0.022 0.000 1.045 78 V CA 2.261 64.541 62.300 -0.033 0.000 1.024 78 V CB -0.826 30.983 31.823 -0.023 0.000 0.651 78 V HN 0.554 nan 8.190 nan 0.000 0.449 79 S N 0.721 116.398 115.700 -0.039 0.000 2.356 79 S HA -0.139 4.432 4.470 0.169 0.000 0.223 79 S C 2.103 176.701 174.600 -0.003 0.000 1.032 79 S CA 1.459 59.652 58.200 -0.012 0.000 1.005 79 S CB -0.807 62.383 63.200 -0.017 0.000 0.867 79 S HN 0.685 nan 8.310 nan 0.000 0.449 80 G N 1.130 109.914 108.800 -0.026 0.000 2.440 80 G HA2 -0.202 3.859 3.960 0.169 0.000 0.218 80 G HA3 -0.202 3.859 3.960 0.169 0.000 0.218 80 G C 1.463 176.395 174.900 0.053 0.000 1.154 80 G CA 1.551 46.668 45.100 0.029 0.000 0.767 80 G HN 0.490 nan 8.290 nan 0.000 0.552 81 T N 0.618 115.206 114.554 0.057 0.000 2.737 81 T HA -0.072 4.379 4.350 0.169 0.000 0.265 81 T C 2.551 177.262 174.700 0.019 0.000 1.038 81 T CA 1.088 63.213 62.100 0.042 0.000 1.144 81 T CB -0.246 68.649 68.868 0.044 0.000 0.866 81 T HN 0.047 nan 8.240 nan 0.000 0.434 82 V N 2.686 122.610 119.914 0.017 0.000 2.332 82 V HA -0.182 4.039 4.120 0.169 0.000 0.248 82 V C 2.334 178.458 176.094 0.050 0.000 1.055 82 V CA 1.536 63.843 62.300 0.012 0.000 1.038 82 V CB -0.602 31.242 31.823 0.036 0.000 0.651 82 V HN 0.455 nan 8.190 nan 0.000 0.450 83 N N 0.097 118.836 118.700 0.065 0.000 2.244 83 N HA -0.125 4.717 4.740 0.169 0.000 0.183 83 N C 1.498 177.054 175.510 0.077 0.000 1.016 83 N CA 1.298 54.402 53.050 0.089 0.000 0.866 83 N CB -0.406 38.122 38.487 0.068 0.000 0.980 83 N HN 0.465 nan 8.380 nan 0.000 0.430 84 D N 0.538 120.966 120.400 0.046 0.000 2.178 84 D HA -0.015 4.726 4.640 0.169 0.000 0.202 84 D C 2.072 178.390 176.300 0.029 0.000 0.974 84 D CA 0.358 54.378 54.000 0.034 0.000 0.841 84 D CB -0.030 40.778 40.800 0.013 0.000 0.953 84 D HN 0.246 nan 8.370 nan 0.000 0.478 85 L N 0.561 121.789 121.223 0.010 0.000 2.072 85 L HA -0.060 4.381 4.340 0.169 0.000 0.205 85 L C 2.541 179.411 176.870 -0.000 0.000 1.079 85 L CA 0.917 55.738 54.840 -0.031 0.000 0.752 85 L CB -0.387 41.609 42.059 -0.106 0.000 0.906 85 L HN -0.043 nan 8.230 nan 0.000 0.436 86 A N 0.292 123.161 122.820 0.083 0.000 1.908 86 A HA -0.183 4.239 4.320 0.169 0.000 0.218 86 A C 2.194 179.973 177.584 0.326 0.000 1.181 86 A CA 1.961 54.192 52.037 0.324 0.000 0.627 86 A CB -0.975 18.321 19.000 0.493 0.000 0.818 86 A HN 0.350 nan 8.150 nan 0.000 0.445 87 V N -3.578 116.456 119.914 0.200 0.000 3.305 87 V HA -0.012 4.209 4.120 0.169 0.000 0.269 87 V C 1.519 177.700 176.094 0.145 0.000 1.157 87 V CA 1.394 63.798 62.300 0.174 0.000 1.157 87 V CB -0.679 31.214 31.823 0.116 0.000 0.772 87 V HN 0.458 nan 8.190 nan 0.000 0.498 88 M N 0.732 120.398 119.600 0.110 0.000 2.383 88 M HA 0.415 4.996 4.480 0.169 0.000 0.247 88 M C 1.590 177.902 176.300 0.020 0.000 1.117 88 M CA 0.831 56.164 55.300 0.055 0.000 0.995 88 M CB -0.034 32.577 32.600 0.018 0.000 1.480 88 M HN 0.682 nan 8.290 nan 0.000 0.485 89 G N 1.456 110.322 108.800 0.109 0.000 2.143 89 G HA2 -0.187 3.874 3.960 0.169 0.000 0.248 89 G HA3 -0.187 3.874 3.960 0.169 0.000 0.248 89 G C 0.192 174.994 174.900 -0.163 0.000 0.991 89 G CA 0.310 45.380 45.100 -0.050 0.000 0.689 89 G HN 0.731 nan 8.290 nan 0.000 0.522 90 A N 0.130 122.880 122.820 -0.115 0.000 2.274 90 A HA 0.685 5.106 4.320 0.169 0.000 0.309 90 A C 0.381 177.554 177.584 -0.686 0.000 1.226 90 A CA 0.206 52.074 52.037 -0.283 0.000 0.853 90 A CB 0.647 19.532 19.000 -0.191 0.000 1.146 90 A HN 0.663 nan 8.150 nan 0.000 0.518 91 E N 3.779 123.557 120.200 -0.703 0.000 2.324 91 E HA 0.217 4.668 4.350 0.169 0.000 0.271 91 E C -2.405 173.801 176.600 -0.656 0.000 1.028 91 E CA -1.621 54.167 56.400 -1.019 0.000 0.890 91 E CB 0.455 29.978 29.700 -0.294 0.000 1.004 91 E HN 0.306 nan 8.360 nan 0.000 0.431 92 P HA 0.014 nan 4.420 nan 0.000 0.271 92 P C -0.286 176.877 177.300 -0.228 0.000 1.220 92 P CA 0.055 62.937 63.100 -0.364 0.000 0.768 92 P CB 0.666 32.182 31.700 -0.306 0.000 0.848 93 I N 2.418 122.895 120.570 -0.154 0.000 3.883 93 I HA 0.355 4.627 4.170 0.169 0.000 0.305 93 I C 0.625 176.698 176.117 -0.074 0.000 1.247 93 I CA 0.456 61.692 61.300 -0.108 0.000 1.350 93 I CB 0.064 37.996 38.000 -0.112 0.000 1.194 93 I HN 0.338 nan 8.210 nan 0.000 0.441 94 A N 0.188 122.971 122.820 -0.062 0.000 2.594 94 A HA 0.738 5.159 4.320 0.169 0.000 0.296 94 A C -1.592 175.984 177.584 -0.013 0.000 1.061 94 A CA -0.457 51.558 52.037 -0.035 0.000 0.689 94 A CB 0.945 19.924 19.000 -0.036 0.000 1.280 94 A HN -0.022 nan 8.150 nan 0.000 0.406 95 L N 0.743 121.965 121.223 -0.001 0.000 2.341 95 L HA 0.896 5.337 4.340 0.169 0.000 0.267 95 L C 0.250 177.137 176.870 0.028 0.000 1.009 95 L CA -0.897 53.954 54.840 0.019 0.000 0.819 95 L CB 2.200 44.268 42.059 0.014 0.000 1.323 95 L HN 0.969 nan 8.230 nan 0.000 0.425 96 A N 1.643 124.490 122.820 0.046 0.000 2.356 96 A HA 0.681 5.102 4.320 0.169 0.000 0.310 96 A C -1.234 176.380 177.584 0.050 0.000 1.075 96 A CA -0.512 51.553 52.037 0.047 0.000 0.746 96 A CB 1.453 20.493 19.000 0.066 0.000 1.221 96 A HN 0.683 nan 8.150 nan 0.000 0.443 97 N N 0.804 119.530 118.700 0.043 0.000 2.354 97 N HA 0.524 5.365 4.740 0.169 0.000 0.287 97 N C -0.995 174.544 175.510 0.048 0.000 1.016 97 N CA -0.023 53.056 53.050 0.047 0.000 0.871 97 N CB 1.935 40.446 38.487 0.040 0.000 1.299 97 N HN 0.531 nan 8.380 nan 0.000 0.482 98 S N 3.789 119.523 115.700 0.057 0.000 2.449 98 S HA 0.643 5.214 4.470 0.169 0.000 0.310 98 S C -0.793 173.849 174.600 0.070 0.000 1.096 98 S CA -0.681 57.553 58.200 0.057 0.000 1.095 98 S CB 0.211 63.444 63.200 0.055 0.000 1.007 98 S HN 0.568 nan 8.310 nan 0.000 0.474 99 M N 4.819 124.456 119.600 0.063 0.000 2.393 99 M HA 0.545 5.126 4.480 0.169 0.000 0.316 99 M C -1.082 175.257 176.300 0.066 0.000 1.087 99 M CA -0.475 54.866 55.300 0.069 0.000 0.937 99 M CB 2.032 34.660 32.600 0.047 0.000 1.668 99 M HN 0.517 nan 8.290 nan 0.000 0.438 100 I N 5.042 125.662 120.570 0.083 0.000 2.410 100 I HA 0.479 4.750 4.170 0.169 0.000 0.286 100 I C -0.753 175.349 176.117 -0.025 0.000 1.009 100 I CA -0.749 60.588 61.300 0.062 0.000 1.111 100 I CB 1.332 39.424 38.000 0.154 0.000 1.262 100 I HN 0.666 nan 8.210 nan 0.000 0.443 101 I N 2.601 123.149 120.570 -0.036 0.000 2.530 101 I HA 0.836 5.107 4.170 0.169 0.000 0.297 101 I C 0.324 176.396 176.117 -0.075 0.000 1.011 101 I CA -0.636 60.620 61.300 -0.073 0.000 1.107 101 I CB 1.933 39.912 38.000 -0.034 0.000 1.285 101 I HN 0.488 nan 8.210 nan 0.000 0.436 102 G N 3.554 112.294 108.800 -0.101 0.000 2.432 102 G HA2 0.238 4.299 3.960 0.169 0.000 0.257 102 G HA3 0.238 4.299 3.960 0.169 0.000 0.257 102 G C 0.604 175.479 174.900 -0.041 0.000 1.238 102 G CA -0.291 44.764 45.100 -0.075 0.000 0.838 102 G HN 0.952 nan 8.290 nan 0.000 0.547 103 E N 1.300 121.484 120.200 -0.026 0.000 2.267 103 E HA -0.096 4.355 4.350 0.169 0.000 0.197 103 E C 1.860 178.452 176.600 -0.014 0.000 0.998 103 E CA 0.917 57.308 56.400 -0.015 0.000 0.830 103 E CB -0.059 29.635 29.700 -0.009 0.000 0.751 103 E HN 0.479 nan 8.360 nan 0.000 0.491 104 G N 1.308 110.098 108.800 -0.017 0.000 2.920 104 G HA2 0.059 4.120 3.960 0.169 0.000 0.208 104 G HA3 0.059 4.120 3.960 0.169 0.000 0.208 104 G C 0.330 175.224 174.900 -0.011 0.000 1.159 104 G CA -0.438 44.654 45.100 -0.012 0.000 0.784 104 G HN 0.145 nan 8.290 nan 0.000 0.535 105 L N 1.384 122.599 121.223 -0.015 0.000 2.410 105 L HA 0.302 4.744 4.340 0.169 0.000 0.273 105 L C 0.023 176.893 176.870 0.000 0.000 1.152 105 L CA -0.872 53.964 54.840 -0.008 0.000 0.855 105 L CB 0.936 42.987 42.059 -0.013 0.000 1.129 105 L HN 0.085 nan 8.230 nan 0.000 0.463 106 D N 3.742 124.146 120.400 0.005 0.000 2.425 106 D HA -0.027 4.714 4.640 0.169 0.000 0.247 106 D C 1.089 177.394 176.300 0.009 0.000 1.147 106 D CA -0.068 53.934 54.000 0.004 0.000 0.879 106 D CB 0.974 41.774 40.800 0.000 0.000 1.179 106 D HN 0.651 nan 8.370 nan 0.000 0.456 107 M N 3.207 122.810 119.600 0.005 0.000 2.202 107 M HA -0.146 4.436 4.480 0.169 0.000 0.262 107 M C 1.568 177.875 176.300 0.012 0.000 1.063 107 M CA 1.772 57.078 55.300 0.009 0.000 1.097 107 M CB -0.485 32.117 32.600 0.005 0.000 1.382 107 M HN 0.624 nan 8.290 nan 0.000 0.413 108 E N -0.781 119.421 120.200 0.004 0.000 2.106 108 E HA -0.108 4.343 4.350 0.169 0.000 0.192 108 E C 1.732 178.339 176.600 0.013 0.000 0.984 108 E CA 1.534 57.933 56.400 -0.002 0.000 0.806 108 E CB -0.335 29.352 29.700 -0.022 0.000 0.750 108 E HN 0.393 nan 8.360 nan 0.000 0.458 109 V N 0.662 120.592 119.914 0.027 0.000 2.307 109 V HA -0.206 4.015 4.120 0.169 0.000 0.245 109 V C 2.371 178.544 176.094 0.131 0.000 1.045 109 V CA 1.589 63.943 62.300 0.090 0.000 1.024 109 V CB -0.621 31.264 31.823 0.103 0.000 0.651 109 V HN 0.342 nan 8.190 nan 0.000 0.449 110 L N 0.381 121.649 121.223 0.075 0.000 2.012 110 L HA -0.194 4.247 4.340 0.169 0.000 0.210 110 L C 2.389 179.296 176.870 0.061 0.000 1.073 110 L CA 2.044 56.920 54.840 0.060 0.000 0.748 110 L CB -0.785 41.293 42.059 0.032 0.000 0.891 110 L HN 0.210 nan 8.230 nan 0.000 0.431 111 K N -0.889 119.540 120.400 0.048 0.000 2.063 111 K HA -0.222 4.199 4.320 0.169 0.000 0.208 111 K C 2.349 178.985 176.600 0.060 0.000 1.048 111 K CA 1.769 58.080 56.287 0.041 0.000 0.928 111 K CB -0.256 32.259 32.500 0.024 0.000 0.713 111 K HN 0.287 nan 8.250 nan 0.000 0.442 112 R N 0.669 121.225 120.500 0.093 0.000 2.092 112 R HA -0.095 4.346 4.340 0.169 0.000 0.231 112 R C 2.067 178.483 176.300 0.193 0.000 1.119 112 R CA 0.949 57.136 56.100 0.145 0.000 0.970 112 R CB -0.030 30.363 30.300 0.156 0.000 0.864 112 R HN -0.011 nan 8.270 nan 0.000 0.440 113 V N 1.217 121.240 119.914 0.183 0.000 2.358 113 V HA -0.238 3.983 4.120 0.169 0.000 0.246 113 V C 2.286 178.390 176.094 0.016 0.000 1.047 113 V CA 1.582 63.909 62.300 0.045 0.000 1.035 113 V CB -0.332 31.488 31.823 -0.005 0.000 0.658 113 V HN 0.340 nan 8.190 nan 0.000 0.452 114 L N -0.601 120.641 121.223 0.032 0.000 2.046 114 L HA -0.191 4.250 4.340 0.169 0.000 0.208 114 L C 2.607 179.489 176.870 0.019 0.000 1.077 114 L CA 1.638 56.490 54.840 0.020 0.000 0.747 114 L CB -0.630 41.443 42.059 0.023 0.000 0.896 114 L HN 0.279 nan 8.230 nan 0.000 0.432 115 K N -0.635 119.784 120.400 0.031 0.000 2.057 115 K HA -0.174 4.247 4.320 0.169 0.000 0.207 115 K C 2.430 179.042 176.600 0.020 0.000 1.049 115 K CA 1.613 57.916 56.287 0.026 0.000 0.931 115 K CB -0.189 32.331 32.500 0.033 0.000 0.714 115 K HN 0.128 nan 8.250 nan 0.000 0.440 116 S N 0.773 116.486 115.700 0.021 0.000 2.368 116 S HA -0.086 4.485 4.470 0.169 0.000 0.224 116 S C 1.972 176.562 174.600 -0.018 0.000 1.029 116 S CA 0.972 59.171 58.200 -0.001 0.000 0.988 116 S CB -0.027 63.157 63.200 -0.025 0.000 0.838 116 S HN 0.171 nan 8.310 nan 0.000 0.462 117 M N 0.785 120.372 119.600 -0.021 0.000 2.086 117 M HA -0.123 4.459 4.480 0.169 0.000 0.261 117 M C 2.067 178.363 176.300 -0.005 0.000 1.067 117 M CA 2.068 57.356 55.300 -0.020 0.000 1.116 117 M CB -0.646 31.945 32.600 -0.015 0.000 1.348 117 M HN 0.384 nan 8.290 nan 0.000 0.407 118 D N 0.486 120.887 120.400 0.002 0.000 2.104 118 D HA -0.229 4.512 4.640 0.169 0.000 0.194 118 D C 2.022 178.326 176.300 0.008 0.000 0.994 118 D CA 1.387 55.391 54.000 0.007 0.000 0.830 118 D CB -0.050 40.755 40.800 0.009 0.000 0.959 118 D HN 0.214 nan 8.370 nan 0.000 0.452 119 E N -0.385 119.820 120.200 0.008 0.000 2.077 119 E HA -0.154 4.298 4.350 0.169 0.000 0.193 119 E C 1.965 178.571 176.600 0.011 0.000 0.989 119 E CA 1.571 57.977 56.400 0.010 0.000 0.800 119 E CB -0.361 29.345 29.700 0.010 0.000 0.746 119 E HN 0.346 nan 8.360 nan 0.000 0.452 120 T N 0.904 115.461 114.554 0.005 0.000 2.746 120 T HA -0.057 4.394 4.350 0.169 0.000 0.267 120 T C 1.908 176.618 174.700 0.016 0.000 1.039 120 T CA 1.555 63.660 62.100 0.008 0.000 1.142 120 T CB -0.314 68.551 68.868 -0.006 0.000 0.866 120 T HN 0.321 nan 8.240 nan 0.000 0.444 121 A N 1.683 124.510 122.820 0.011 0.000 1.972 121 A HA -0.075 4.346 4.320 0.169 0.000 0.219 121 A C 2.331 179.929 177.584 0.023 0.000 1.169 121 A CA 1.193 53.239 52.037 0.015 0.000 0.635 121 A CB -0.458 18.547 19.000 0.009 0.000 0.810 121 A HN 0.395 nan 8.150 nan 0.000 0.446 122 R N -0.261 120.251 120.500 0.022 0.000 2.237 122 R HA -0.058 4.384 4.340 0.169 0.000 0.219 122 R C 1.664 177.985 176.300 0.035 0.000 1.080 122 R CA 1.160 57.275 56.100 0.025 0.000 0.995 122 R CB -0.144 30.168 30.300 0.020 0.000 0.875 122 R HN 0.670 nan 8.270 nan 0.000 0.462 123 E N -0.019 120.204 120.200 0.038 0.000 2.274 123 E HA -0.101 4.350 4.350 0.169 0.000 0.194 123 E C 1.776 178.419 176.600 0.072 0.000 0.996 123 E CA 0.793 57.221 56.400 0.048 0.000 0.840 123 E CB 0.232 29.958 29.700 0.044 0.000 0.772 123 E HN 0.116 nan 8.360 nan 0.000 0.491 124 V N 1.750 121.713 119.914 0.081 0.000 2.229 124 V HA -0.075 4.146 4.120 0.169 0.000 0.243 124 V C -1.182 175.003 176.094 0.152 0.000 1.042 124 V CA 1.197 63.575 62.300 0.129 0.000 1.000 124 V CB -1.377 30.504 31.823 0.097 0.000 0.637 124 V HN 0.298 nan 8.190 nan 0.000 0.446 125 P HA 0.564 nan 4.420 nan 0.000 0.290 125 P C -1.380 175.943 177.300 0.038 0.000 1.283 125 P CA -0.202 62.934 63.100 0.060 0.000 0.869 125 P CB 2.722 34.451 31.700 0.048 0.000 1.100 126 V N 2.423 122.348 119.914 0.017 0.000 2.891 126 V HA 0.444 4.665 4.120 0.169 0.000 0.304 126 V C -2.757 173.335 176.094 -0.004 0.000 1.171 126 V CA -2.074 60.221 62.300 -0.007 0.000 0.943 126 V CB 2.504 34.309 31.823 -0.030 0.000 1.037 126 V HN 0.549 nan 8.190 nan 0.000 0.427 127 P HA 0.424 nan 4.420 nan 0.000 0.278 127 P C -0.671 176.626 177.300 -0.004 0.000 1.238 127 P CA -0.255 62.842 63.100 -0.005 0.000 0.794 127 P CB 1.269 32.964 31.700 -0.008 0.000 0.955 128 I N 3.094 123.664 120.570 0.001 0.000 2.287 128 I HA 0.029 4.300 4.170 0.169 0.000 0.290 128 I C 1.699 177.819 176.117 0.004 0.000 1.069 128 I CA -0.479 60.824 61.300 0.006 0.000 1.237 128 I CB 1.187 39.193 38.000 0.010 0.000 1.418 128 I HN 0.169 nan 8.210 nan 0.000 0.481 129 V N 1.545 121.460 119.914 0.002 0.000 3.235 129 V HA 0.172 4.393 4.120 0.169 0.000 0.259 129 V C 0.676 176.772 176.094 0.003 0.000 1.133 129 V CA 0.775 63.074 62.300 -0.001 0.000 1.128 129 V CB 0.134 31.951 31.823 -0.010 0.000 0.757 129 V HN 0.756 nan 8.190 nan 0.000 0.469 130 T N -1.780 112.779 114.554 0.010 0.000 2.749 130 T HA 0.702 5.153 4.350 0.169 0.000 0.310 130 T C -0.501 174.212 174.700 0.021 0.000 1.496 130 T CA 0.243 62.350 62.100 0.013 0.000 1.006 130 T CB 1.392 70.266 68.868 0.011 0.000 1.457 130 T HN 1.009 nan 8.240 nan 0.000 0.497 131 G N 0.782 109.595 108.800 0.022 0.000 2.489 131 G HA2 0.561 4.622 3.960 0.169 0.000 0.305 131 G HA3 0.561 4.622 3.960 0.169 0.000 0.305 131 G C -2.170 172.747 174.900 0.027 0.000 1.311 131 G CA -0.158 44.959 45.100 0.028 0.000 0.813 131 G HN 0.861 nan 8.290 nan 0.000 0.480 132 D N -1.837 118.582 120.400 0.030 0.000 2.717 132 D HA 0.629 5.370 4.640 0.169 0.000 0.223 132 D C -1.120 175.199 176.300 0.032 0.000 1.240 132 D CA -0.131 53.886 54.000 0.029 0.000 0.801 132 D CB 2.150 42.969 40.800 0.032 0.000 1.556 132 D HN 0.409 nan 8.370 nan 0.000 0.462 133 T N 2.948 117.518 114.554 0.027 0.000 2.881 133 T HA 0.551 5.002 4.350 0.169 0.000 0.290 133 T C -1.014 173.701 174.700 0.025 0.000 1.000 133 T CA -0.888 61.228 62.100 0.027 0.000 0.978 133 T CB 1.393 70.274 68.868 0.021 0.000 0.997 133 T HN 0.139 nan 8.240 nan 0.000 0.443 134 K N 2.203 122.620 120.400 0.028 0.000 2.371 134 K HA 0.723 5.144 4.320 0.169 0.000 0.251 134 K C -1.041 175.569 176.600 0.018 0.000 0.934 134 K CA -0.726 55.576 56.287 0.025 0.000 0.798 134 K CB 2.784 35.305 32.500 0.034 0.000 1.204 134 K HN 0.356 nan 8.250 nan 0.000 0.427 135 V N 2.271 122.192 119.914 0.012 0.000 2.513 135 V HA 0.524 4.745 4.120 0.169 0.000 0.299 135 V C -0.164 175.932 176.094 0.004 0.000 1.035 135 V CA -0.945 61.357 62.300 0.003 0.000 0.889 135 V CB 1.867 33.690 31.823 0.001 0.000 0.988 135 V HN 0.587 nan 8.190 nan 0.000 0.440 136 V N 1.616 121.528 119.914 -0.004 0.000 3.001 136 V HA 0.680 4.902 4.120 0.169 0.000 0.314 136 V C 0.766 176.856 176.094 -0.006 0.000 1.099 136 V CA -0.551 61.750 62.300 0.001 0.000 0.989 136 V CB 2.168 33.997 31.823 0.010 0.000 1.040 136 V HN 0.831 nan 8.190 nan 0.000 0.434 137 E N 0.286 120.486 120.200 0.001 0.000 2.371 137 E HA -0.007 4.445 4.350 0.169 0.000 0.194 137 E C -0.067 176.532 176.600 -0.002 0.000 1.012 137 E CA 0.099 56.499 56.400 -0.001 0.000 0.860 137 E CB -0.432 29.270 29.700 0.004 0.000 0.811 137 E HN 0.821 nan 8.360 nan 0.000 0.502 138 D N 3.195 123.596 120.400 0.001 0.000 2.478 138 D HA -0.057 4.684 4.640 0.169 0.000 0.234 138 D C 0.598 176.890 176.300 -0.013 0.000 1.154 138 D CA 0.302 54.304 54.000 0.005 0.000 0.874 138 D CB 0.579 41.392 40.800 0.021 0.000 1.198 138 D HN 0.038 nan 8.370 nan 0.000 0.455 139 K N 2.590 122.986 120.400 -0.006 0.000 2.715 139 K HA 0.126 4.547 4.320 0.169 0.000 0.248 139 K C 0.132 176.713 176.600 -0.031 0.000 1.276 139 K CA -0.152 56.126 56.287 -0.014 0.000 1.209 139 K CB -1.099 31.402 32.500 0.001 0.000 1.509 139 K HN 0.555 nan 8.250 nan 0.000 0.261 140 I N -3.314 117.207 120.570 -0.082 0.000 2.982 140 I HA 0.343 4.614 4.170 0.169 0.000 0.312 140 I C 0.502 176.508 176.117 -0.185 0.000 1.041 140 I CA -1.021 60.174 61.300 -0.175 0.000 1.053 140 I CB 1.729 39.500 38.000 -0.382 0.000 1.248 140 I HN 0.006 nan 8.210 nan 0.000 0.471 141 E N 1.468 121.531 120.200 -0.229 0.000 2.110 141 E HA 0.308 4.759 4.350 0.169 0.000 0.194 141 E C -0.047 176.425 176.600 -0.213 0.000 0.944 141 E CA 0.377 56.688 56.400 -0.149 0.000 0.899 141 E CB 0.804 30.464 29.700 -0.066 0.000 0.907 141 E HN 0.636 nan 8.360 nan 0.000 0.473 142 M N 0.329 119.748 119.600 -0.301 0.000 2.373 142 M HA 0.325 4.906 4.480 0.169 0.000 0.290 142 M C -2.015 174.141 176.300 -0.240 0.000 1.143 142 M CA -0.404 54.741 55.300 -0.259 0.000 0.949 142 M CB 1.508 34.065 32.600 -0.072 0.000 1.756 142 M HN -0.088 nan 8.290 nan 0.000 0.494 143 F N 2.832 122.806 119.950 0.039 0.000 2.532 143 F HA 0.782 5.319 4.527 0.016 0.000 0.321 143 F C -0.438 175.393 175.800 0.051 0.000 1.089 143 F CA -1.018 57.010 58.000 0.046 0.000 0.926 143 F CB 2.196 41.215 39.000 0.032 0.000 1.168 143 F HN 0.238 nan 8.300 nan 0.000 0.459 144 V N 4.440 124.523 119.914 0.282 0.000 2.531 144 V HA 0.534 4.755 4.120 0.169 0.000 0.301 144 V C -0.746 175.472 176.094 0.206 0.000 1.034 144 V CA -0.622 61.794 62.300 0.194 0.000 0.865 144 V CB 1.968 33.879 31.823 0.148 0.000 0.995 144 V HN 0.470 nan 8.190 nan 0.000 0.424 145 I N 4.007 124.660 120.570 0.138 0.000 2.418 145 I HA 0.592 4.863 4.170 0.169 0.000 0.287 145 I C 0.205 176.377 176.117 0.090 0.000 1.008 145 I CA -0.088 61.262 61.300 0.085 0.000 1.104 145 I CB 2.336 40.354 38.000 0.030 0.000 1.264 145 I HN 0.746 nan 8.210 nan 0.000 0.438 146 T N 2.745 117.362 114.554 0.104 0.000 2.824 146 T HA 0.938 5.389 4.350 0.169 0.000 0.282 146 T C -0.417 174.312 174.700 0.048 0.000 0.993 146 T CA -0.814 61.338 62.100 0.086 0.000 0.967 146 T CB 1.804 70.739 68.868 0.112 0.000 0.960 146 T HN 0.660 nan 8.240 nan 0.000 0.441 147 A N 1.905 124.757 122.820 0.052 0.000 2.337 147 A HA 1.014 5.435 4.320 0.169 0.000 0.331 147 A C 0.217 177.854 177.584 0.089 0.000 1.137 147 A CA -0.707 51.363 52.037 0.055 0.000 0.807 147 A CB 1.430 20.504 19.000 0.123 0.000 1.250 147 A HN 1.415 nan 8.150 nan 0.000 0.468 148 G N 0.300 109.165 108.800 0.107 0.000 2.659 148 G HA2 0.632 4.693 3.960 0.169 0.000 0.296 148 G HA3 0.632 4.693 3.960 0.169 0.000 0.296 148 G C -0.862 174.133 174.900 0.159 0.000 1.369 148 G CA -0.490 44.667 45.100 0.095 0.000 0.937 148 G HN 1.130 nan 8.290 nan 0.000 0.485 149 I N -0.503 120.111 120.570 0.073 0.000 2.545 149 I HA 0.891 5.162 4.170 0.169 0.000 0.292 149 I C 0.011 176.099 176.117 -0.048 0.000 1.040 149 I CA -1.088 60.235 61.300 0.039 0.000 1.068 149 I CB 1.356 39.337 38.000 -0.031 0.000 1.251 149 I HN 0.754 nan 8.210 nan 0.000 0.424 150 G N 5.035 113.796 108.800 -0.066 0.000 2.680 150 G HA2 0.702 4.763 3.960 0.169 0.000 0.290 150 G HA3 0.702 4.763 3.960 0.169 0.000 0.290 150 G C -1.764 173.059 174.900 -0.128 0.000 1.355 150 G CA -0.788 44.226 45.100 -0.143 0.000 0.903 150 G HN 0.785 nan 8.290 nan 0.000 0.474 151 I N 0.547 121.020 120.570 -0.161 0.000 2.418 151 I HA 0.685 4.956 4.170 0.169 0.000 0.287 151 I C -0.165 175.863 176.117 -0.148 0.000 1.008 151 I CA -1.120 60.103 61.300 -0.128 0.000 1.104 151 I CB 1.578 39.504 38.000 -0.125 0.000 1.264 151 I HN 0.586 nan 8.210 nan 0.000 0.438 152 A N 5.829 128.572 122.820 -0.128 0.000 2.273 152 A HA 0.403 4.825 4.320 0.169 0.000 0.320 152 A C 0.523 177.968 177.584 -0.231 0.000 1.358 152 A CA -0.494 51.412 52.037 -0.219 0.000 0.910 152 A CB 0.424 19.292 19.000 -0.220 0.000 1.159 152 A HN 0.899 nan 8.150 nan 0.000 0.526 153 E N 0.947 120.968 120.200 -0.297 0.000 2.208 153 E HA -0.071 4.380 4.350 0.169 0.000 0.193 153 E C -0.272 175.963 176.600 -0.609 0.000 0.988 153 E CA 0.869 57.056 56.400 -0.355 0.000 0.828 153 E CB 0.085 29.598 29.700 -0.312 0.000 0.763 153 E HN 0.741 nan 8.360 nan 0.000 0.478 154 H N -0.032 118.768 119.070 -0.450 0.000 2.569 154 H HA 0.251 4.908 4.556 0.169 0.000 0.247 154 H C -2.501 172.565 175.328 -0.437 0.000 1.346 154 H CA -2.324 53.487 56.048 -0.394 0.000 1.502 154 H CB 0.628 30.177 29.762 -0.355 0.000 1.512 154 H HN -0.002 nan 8.280 nan 0.000 0.502 155 P HA -0.066 nan 4.420 nan 0.000 0.263 155 P C -0.166 177.071 177.300 -0.105 0.000 1.175 155 P CA 0.238 63.176 63.100 -0.270 0.000 0.761 155 P CB 0.970 32.428 31.700 -0.405 0.000 0.794 156 V N 2.594 122.485 119.914 -0.040 0.000 2.735 156 V HA 0.645 4.866 4.120 0.169 0.000 0.310 156 V C 0.138 176.260 176.094 0.048 0.000 1.061 156 V CA -0.299 62.038 62.300 0.062 0.000 0.913 156 V CB 2.060 33.985 31.823 0.170 0.000 1.005 156 V HN 0.748 nan 8.190 nan 0.000 0.428 157 S N 0.953 116.686 115.700 0.056 0.000 2.720 157 S HA 0.465 5.036 4.470 0.169 0.000 0.287 157 S C -0.012 174.622 174.600 0.056 0.000 1.168 157 S CA -0.201 58.026 58.200 0.046 0.000 0.832 157 S CB 1.885 65.101 63.200 0.027 0.000 1.166 157 S HN 0.772 nan 8.310 nan 0.000 0.493 158 D N 0.007 120.434 120.400 0.046 0.000 2.336 158 D HA 0.237 4.978 4.640 0.169 0.000 0.229 158 D C 1.178 177.503 176.300 0.041 0.000 1.061 158 D CA 0.543 54.571 54.000 0.047 0.000 0.875 158 D CB -0.277 40.546 40.800 0.038 0.000 0.904 158 D HN 0.628 nan 8.370 nan 0.000 0.525 159 A N 0.042 122.884 122.820 0.036 0.000 2.348 159 A HA 0.482 4.903 4.320 0.169 0.000 0.224 159 A C 1.929 179.528 177.584 0.025 0.000 1.227 159 A CA 0.200 52.253 52.037 0.027 0.000 0.885 159 A CB -0.087 18.924 19.000 0.019 0.000 0.933 159 A HN 0.291 nan 8.150 nan 0.000 0.506 160 G N -0.402 108.420 108.800 0.037 0.000 3.337 160 G HA2 0.433 4.495 3.960 0.169 0.000 0.246 160 G HA3 0.433 4.495 3.960 0.169 0.000 0.246 160 G C 0.608 175.531 174.900 0.038 0.000 1.131 160 G CA 0.565 45.679 45.100 0.023 0.000 0.773 160 G HN 0.654 nan 8.290 nan 0.000 0.544 161 A N 0.742 123.604 122.820 0.070 0.000 2.462 161 A HA 0.592 5.013 4.320 0.169 0.000 0.243 161 A C 0.187 177.812 177.584 0.068 0.000 1.076 161 A CA 0.186 52.287 52.037 0.106 0.000 0.773 161 A CB 0.625 19.678 19.000 0.089 0.000 1.010 161 A HN 0.122 nan 8.150 nan 0.000 0.493 162 K N 1.217 121.688 120.400 0.118 0.000 2.328 162 K HA 0.461 4.882 4.320 0.169 0.000 0.246 162 K C -0.706 175.948 176.600 0.091 0.000 0.955 162 K CA -0.868 55.462 56.287 0.072 0.000 0.817 162 K CB 1.818 34.343 32.500 0.042 0.000 1.208 162 K HN 0.401 nan 8.250 nan 0.000 0.432 163 V N 1.464 121.414 119.914 0.060 0.000 2.599 163 V HA 0.164 4.385 4.120 0.169 0.000 0.300 163 V C 1.509 177.641 176.094 0.063 0.000 1.034 163 V CA 1.704 64.037 62.300 0.056 0.000 1.115 163 V CB 0.138 31.985 31.823 0.041 0.000 0.934 163 V HN 1.083 nan 8.190 nan 0.000 0.485 164 G N 3.637 112.471 108.800 0.056 0.000 2.234 164 G HA2 -0.189 3.872 3.960 0.169 0.000 0.235 164 G HA3 -0.189 3.872 3.960 0.169 0.000 0.235 164 G C -0.015 174.915 174.900 0.052 0.000 0.997 164 G CA 0.012 45.141 45.100 0.048 0.000 0.623 164 G HN 0.672 nan 8.290 nan 0.000 0.514 165 D N 1.284 121.729 120.400 0.075 0.000 2.400 165 D HA 0.543 5.285 4.640 0.169 0.000 0.238 165 D C 0.832 177.150 176.300 0.030 0.000 1.157 165 D CA 0.999 55.038 54.000 0.064 0.000 0.889 165 D CB 1.031 41.896 40.800 0.108 0.000 1.199 165 D HN 0.787 nan 8.370 nan 0.000 0.436 166 A N 1.148 123.972 122.820 0.006 0.000 2.304 166 A HA 0.507 4.928 4.320 0.169 0.000 0.301 166 A C -0.455 177.127 177.584 -0.004 0.000 1.132 166 A CA -0.625 51.410 52.037 -0.003 0.000 0.819 166 A CB 0.858 19.850 19.000 -0.014 0.000 1.094 166 A HN 0.311 nan 8.150 nan 0.000 0.492 167 V N 3.215 123.127 119.914 -0.004 0.000 2.370 167 V HA 0.431 4.652 4.120 0.169 0.000 0.283 167 V C -0.655 175.431 176.094 -0.013 0.000 1.023 167 V CA -0.225 62.072 62.300 -0.004 0.000 0.857 167 V CB 0.729 32.549 31.823 -0.004 0.000 0.985 167 V HN 0.711 nan 8.190 nan 0.000 0.443 168 L N 5.677 126.893 121.223 -0.012 0.000 2.341 168 L HA 0.798 5.239 4.340 0.169 0.000 0.267 168 L C -0.184 176.680 176.870 -0.010 0.000 1.009 168 L CA -0.533 54.298 54.840 -0.016 0.000 0.819 168 L CB 2.234 44.281 42.059 -0.021 0.000 1.323 168 L HN 0.575 nan 8.230 nan 0.000 0.425 169 V N -1.700 118.208 119.914 -0.011 0.000 2.769 169 V HA 0.605 4.826 4.120 0.169 0.000 0.312 169 V C 0.617 176.709 176.094 -0.003 0.000 1.061 169 V CA -0.085 62.213 62.300 -0.003 0.000 0.931 169 V CB 1.608 33.431 31.823 -0.000 0.000 1.010 169 V HN 0.830 nan 8.190 nan 0.000 0.433 170 S N 1.424 117.125 115.700 0.002 0.000 2.603 170 S HA 0.549 5.120 4.470 0.169 0.000 0.220 170 S C 0.789 175.390 174.600 0.002 0.000 0.967 170 S CA 0.416 58.615 58.200 -0.002 0.000 0.920 170 S CB -0.472 62.728 63.200 -0.000 0.000 0.773 170 S HN 2.005 nan 8.310 nan 0.000 0.529 171 G N 0.728 109.533 108.800 0.009 0.000 2.341 171 G HA2 0.411 4.472 3.960 0.169 0.000 0.299 171 G HA3 0.411 4.472 3.960 0.169 0.000 0.299 171 G C -0.704 174.207 174.900 0.019 0.000 1.274 171 G CA -0.263 44.844 45.100 0.012 0.000 0.853 171 G HN 0.510 nan 8.290 nan 0.000 0.493 172 T N -0.599 113.968 114.554 0.021 0.000 2.932 172 T HA 0.504 4.955 4.350 0.169 0.000 0.312 172 T C 0.243 174.968 174.700 0.042 0.000 1.071 172 T CA -0.106 62.011 62.100 0.028 0.000 1.128 172 T CB 0.723 69.601 68.868 0.018 0.000 0.984 172 T HN 0.461 nan 8.240 nan 0.000 0.549 173 I N 2.147 122.752 120.570 0.058 0.000 2.441 173 I HA 0.546 4.817 4.170 0.169 0.000 0.295 173 I C 1.469 177.632 176.117 0.077 0.000 0.994 173 I CA 0.104 61.453 61.300 0.082 0.000 1.144 173 I CB 0.564 38.639 38.000 0.126 0.000 1.314 173 I HN 1.137 nan 8.210 nan 0.000 0.445 174 G N 4.926 113.769 108.800 0.072 0.000 2.175 174 G HA2 -0.267 3.794 3.960 0.169 0.000 0.244 174 G HA3 -0.267 3.794 3.960 0.169 0.000 0.244 174 G C 0.593 175.513 174.900 0.034 0.000 0.982 174 G CA 0.386 45.515 45.100 0.049 0.000 0.641 174 G HN 0.533 nan 8.290 nan 0.000 0.527 175 D N -0.308 120.118 120.400 0.043 0.000 2.106 175 D HA -0.066 4.676 4.640 0.169 0.000 0.191 175 D C 1.741 178.061 176.300 0.034 0.000 0.997 175 D CA 1.793 55.814 54.000 0.035 0.000 0.834 175 D CB -0.326 40.506 40.800 0.052 0.000 0.956 175 D HN 0.667 nan 8.370 nan 0.000 0.448 176 H N -0.287 118.772 119.070 -0.018 0.000 2.256 176 H HA -0.026 4.629 4.556 0.166 0.000 0.299 176 H C 2.226 177.498 175.328 -0.094 0.000 1.071 176 H CA 2.415 58.423 56.048 -0.066 0.000 1.280 176 H CB -0.642 29.075 29.762 -0.075 0.000 1.370 176 H HN 0.132 nan 8.280 nan 0.000 0.490 177 G N 0.936 109.696 108.800 -0.067 0.000 2.440 177 G HA2 -0.208 3.853 3.960 0.169 0.000 0.218 177 G HA3 -0.208 3.853 3.960 0.169 0.000 0.218 177 G C 1.521 176.350 174.900 -0.118 0.000 1.154 177 G CA 1.052 46.086 45.100 -0.111 0.000 0.767 177 G HN 0.391 nan 8.290 nan 0.000 0.552 178 I N 1.774 122.306 120.570 -0.063 0.000 2.315 178 I HA -0.040 4.231 4.170 0.169 0.000 0.248 178 I C 3.201 179.305 176.117 -0.021 0.000 1.117 178 I CA 0.957 62.239 61.300 -0.031 0.000 1.404 178 I CB -1.309 36.681 38.000 -0.015 0.000 1.071 178 I HN 0.254 nan 8.210 nan 0.000 0.419 179 A N 0.790 123.577 122.820 -0.055 0.000 1.902 179 A HA -0.164 4.257 4.320 0.169 0.000 0.217 179 A C 2.253 179.820 177.584 -0.027 0.000 1.181 179 A CA 1.401 53.431 52.037 -0.012 0.000 0.623 179 A CB -0.698 18.289 19.000 -0.021 0.000 0.818 179 A HN 0.309 nan 8.150 nan 0.000 0.443 180 L N -0.974 120.138 121.223 -0.184 0.000 2.072 180 L HA -0.047 4.394 4.340 0.169 0.000 0.205 180 L C 2.726 179.582 176.870 -0.023 0.000 1.079 180 L CA 1.692 56.437 54.840 -0.159 0.000 0.752 180 L CB -0.604 41.218 42.059 -0.395 0.000 0.906 180 L HN 0.368 nan 8.230 nan 0.000 0.436 181 M N -1.706 117.869 119.600 -0.041 0.000 2.175 181 M HA -0.177 4.404 4.480 0.169 0.000 0.264 181 M C 2.384 178.704 176.300 0.033 0.000 1.063 181 M CA 1.374 56.673 55.300 -0.001 0.000 1.119 181 M CB -0.395 32.199 32.600 -0.010 0.000 1.377 181 M HN 0.140 nan 8.290 nan 0.000 0.415 182 S N -0.673 115.062 115.700 0.058 0.000 2.356 182 S HA -0.214 4.357 4.470 0.169 0.000 0.223 182 S C 1.771 176.414 174.600 0.072 0.000 1.032 182 S CA 1.611 59.860 58.200 0.082 0.000 1.005 182 S CB -0.539 62.758 63.200 0.161 0.000 0.867 182 S HN 0.531 nan 8.310 nan 0.000 0.449 183 H N 1.600 120.687 119.070 0.029 0.000 2.352 183 H HA 0.036 4.692 4.556 0.167 0.000 0.299 183 H C 2.278 177.620 175.328 0.023 0.000 1.097 183 H CA 1.688 57.757 56.048 0.035 0.000 1.311 183 H CB -0.019 29.779 29.762 0.059 0.000 1.377 183 H HN 0.162 nan 8.280 nan 0.000 0.504 184 R N -0.035 120.509 120.500 0.073 0.000 2.127 184 R HA -0.097 4.344 4.340 0.169 0.000 0.238 184 R C 1.109 177.385 176.300 -0.041 0.000 1.134 184 R CA 1.388 57.502 56.100 0.022 0.000 0.975 184 R CB 0.089 30.417 30.300 0.046 0.000 0.865 184 R HN 0.459 nan 8.270 nan 0.000 0.447 185 E N -0.753 119.422 120.200 -0.042 0.000 2.463 185 E HA 0.082 4.533 4.350 0.169 0.000 0.193 185 E C 0.884 177.434 176.600 -0.084 0.000 1.041 185 E CA 0.387 56.757 56.400 -0.051 0.000 0.879 185 E CB 0.776 30.458 29.700 -0.030 0.000 0.997 185 E HN 0.490 nan 8.360 nan 0.000 0.478 186 G N 1.855 110.575 108.800 -0.134 0.000 2.153 186 G HA2 -0.308 3.753 3.960 0.169 0.000 0.252 186 G HA3 -0.308 3.753 3.960 0.169 0.000 0.252 186 G C 0.368 175.184 174.900 -0.139 0.000 0.994 186 G CA 0.209 45.217 45.100 -0.152 0.000 0.698 186 G HN 0.312 nan 8.290 nan 0.000 0.521 187 I N 1.141 121.635 120.570 -0.128 0.000 2.441 187 I HA 0.510 4.782 4.170 0.169 0.000 0.287 187 I C 0.713 176.692 176.117 -0.230 0.000 1.049 187 I CA 0.365 61.549 61.300 -0.193 0.000 1.381 187 I CB 1.319 39.233 38.000 -0.143 0.000 1.409 187 I HN 0.351 nan 8.210 nan 0.000 0.523 188 A N 6.838 129.431 122.820 -0.379 0.000 2.475 188 A HA 0.848 5.269 4.320 0.169 0.000 0.301 188 A C -1.247 176.026 177.584 -0.518 0.000 1.059 188 A CA -0.403 51.462 52.037 -0.286 0.000 0.710 188 A CB 1.035 19.964 19.000 -0.117 0.000 1.288 188 A HN 0.501 nan 8.150 nan 0.000 0.408 189 F N -0.264 119.700 119.950 0.022 0.000 2.556 189 F HA 0.604 5.232 4.527 0.168 0.000 0.327 189 F C 1.751 177.563 175.800 0.019 0.000 1.059 189 F CA 0.270 58.281 58.000 0.017 0.000 0.953 189 F CB 1.385 40.395 39.000 0.018 0.000 1.227 189 F HN 0.805 nan 8.300 nan 0.000 0.478 190 E N -0.450 119.882 120.200 0.220 0.000 2.049 190 E HA -0.123 4.328 4.350 0.169 0.000 0.198 190 E C 0.764 177.435 176.600 0.117 0.000 1.007 190 E CA 1.919 58.394 56.400 0.125 0.000 0.809 190 E CB -1.351 28.408 29.700 0.100 0.000 0.749 190 E HN 0.544 nan 8.360 nan 0.000 0.450 191 T N 0.424 115.056 114.554 0.130 0.000 2.762 191 T HA 0.448 4.899 4.350 0.169 0.000 0.303 191 T C -0.129 174.645 174.700 0.122 0.000 0.977 191 T CA -0.349 61.805 62.100 0.089 0.000 0.961 191 T CB 1.226 70.122 68.868 0.046 0.000 0.944 191 T HN 0.428 nan 8.240 nan 0.000 0.481 192 E N 2.141 122.412 120.200 0.118 0.000 2.652 192 E HA -0.043 4.409 4.350 0.169 0.000 0.255 192 E C -0.440 176.237 176.600 0.128 0.000 0.952 192 E CA -0.479 56.007 56.400 0.142 0.000 0.947 192 E CB 0.320 30.086 29.700 0.110 0.000 0.912 192 E HN 0.493 nan 8.360 nan 0.000 0.489 193 L N 5.846 127.177 121.223 0.180 0.000 2.315 193 L HA 0.231 4.672 4.340 0.169 0.000 0.283 193 L C -0.709 176.230 176.870 0.114 0.000 1.089 193 L CA 0.452 55.361 54.840 0.116 0.000 0.833 193 L CB 0.379 42.533 42.059 0.158 0.000 1.170 193 L HN 0.412 nan 8.230 nan 0.000 0.442 194 K N 2.864 123.315 120.400 0.085 0.000 2.340 194 K HA 0.481 4.902 4.320 0.169 0.000 0.244 194 K C -0.436 176.229 176.600 0.107 0.000 0.973 194 K CA -0.849 55.502 56.287 0.107 0.000 0.828 194 K CB 1.873 34.435 32.500 0.104 0.000 1.226 194 K HN 0.593 nan 8.250 nan 0.000 0.437 195 S N 0.649 116.450 115.700 0.168 0.000 2.584 195 S HA -0.026 4.545 4.470 0.169 0.000 0.270 195 S C 0.371 175.090 174.600 0.200 0.000 1.346 195 S CA -0.090 58.235 58.200 0.209 0.000 1.018 195 S CB 0.320 63.772 63.200 0.420 0.000 0.899 195 S HN 0.725 nan 8.310 nan 0.000 0.542 196 D N 1.836 122.347 120.400 0.186 0.000 2.363 196 D HA 0.037 4.778 4.640 0.169 0.000 0.214 196 D C 0.596 176.967 176.300 0.118 0.000 1.093 196 D CA -0.332 53.742 54.000 0.124 0.000 0.837 196 D CB -0.661 40.192 40.800 0.089 0.000 0.948 196 D HN 0.280 nan 8.370 nan 0.000 0.507 197 V N 0.691 120.708 119.914 0.173 0.000 2.583 197 V HA 0.329 4.550 4.120 0.169 0.000 0.302 197 V C 0.015 176.155 176.094 0.076 0.000 1.033 197 V CA 0.841 63.208 62.300 0.111 0.000 1.194 197 V CB -0.723 31.219 31.823 0.199 0.000 0.879 197 V HN 0.608 nan 8.190 nan 0.000 0.482 198 A N 7.696 130.542 122.820 0.044 0.000 2.581 198 A HA 0.737 5.158 4.320 0.169 0.000 0.294 198 A C -3.191 174.419 177.584 0.044 0.000 1.035 198 A CA -1.004 51.059 52.037 0.042 0.000 0.684 198 A CB 1.781 20.808 19.000 0.047 0.000 1.282 198 A HN 0.610 nan 8.150 nan 0.000 0.417 199 P HA 0.444 nan 4.420 nan 0.000 0.280 199 P C -0.130 177.232 177.300 0.104 0.000 1.244 199 P CA 0.001 63.151 63.100 0.084 0.000 0.784 199 P CB 0.570 32.325 31.700 0.091 0.000 0.913 200 I N -0.280 120.368 120.570 0.130 0.000 3.707 200 I HA 0.269 4.541 4.170 0.169 0.000 0.330 200 I C 1.496 177.717 176.117 0.172 0.000 1.572 200 I CA -0.954 60.415 61.300 0.116 0.000 1.104 200 I CB -0.955 37.089 38.000 0.073 0.000 1.240 200 I HN 0.388 nan 8.210 nan 0.000 0.475 201 W N 3.152 124.477 121.300 0.041 0.000 2.342 201 W HA -0.256 4.506 4.660 0.169 0.000 0.297 201 W C 1.541 178.091 176.519 0.052 0.000 1.213 201 W CA 1.842 59.224 57.345 0.062 0.000 1.251 201 W CB 0.139 29.637 29.460 0.063 0.000 1.136 201 W HN 0.548 nan 8.180 nan 0.000 0.526 202 D N 0.750 121.093 120.400 -0.095 0.000 2.178 202 D HA -0.206 4.535 4.640 0.169 0.000 0.201 202 D C 2.052 178.210 176.300 -0.236 0.000 0.980 202 D CA 1.596 55.455 54.000 -0.235 0.000 0.842 202 D CB -1.061 39.692 40.800 -0.079 0.000 0.948 202 D HN 0.177 nan 8.370 nan 0.000 0.472 203 V N 0.624 120.456 119.914 -0.137 0.000 2.358 203 V HA -0.185 4.036 4.120 0.169 0.000 0.246 203 V C 2.897 178.880 176.094 -0.185 0.000 1.047 203 V CA 1.176 63.402 62.300 -0.123 0.000 1.035 203 V CB -0.324 31.468 31.823 -0.052 0.000 0.658 203 V HN 0.118 nan 8.190 nan 0.000 0.452 204 V N -0.354 119.448 119.914 -0.186 0.000 2.295 204 V HA -0.254 3.968 4.120 0.169 0.000 0.246 204 V C 2.506 178.315 176.094 -0.475 0.000 1.049 204 V CA 1.894 64.064 62.300 -0.216 0.000 1.024 204 V CB -0.680 31.148 31.823 0.009 0.000 0.648 204 V HN 0.484 nan 8.190 nan 0.000 0.447 205 K N -0.023 119.950 120.400 -0.712 0.000 2.063 205 K HA -0.171 4.251 4.320 0.169 0.000 0.208 205 K C 2.308 178.616 176.600 -0.486 0.000 1.048 205 K CA 1.500 57.343 56.287 -0.738 0.000 0.928 205 K CB -0.427 31.552 32.500 -0.870 0.000 0.713 205 K HN 0.479 nan 8.250 nan 0.000 0.442 206 A N 0.944 123.542 122.820 -0.370 0.000 1.908 206 A HA -0.139 4.282 4.320 0.169 0.000 0.218 206 A C 2.346 179.768 177.584 -0.270 0.000 1.181 206 A CA 1.577 53.458 52.037 -0.261 0.000 0.627 206 A CB -0.568 18.319 19.000 -0.188 0.000 0.818 206 A HN 0.091 nan 8.150 nan 0.000 0.445 207 V N -0.348 119.383 119.914 -0.305 0.000 2.323 207 V HA -0.184 4.038 4.120 0.169 0.000 0.244 207 V C 3.053 178.895 176.094 -0.419 0.000 1.041 207 V CA 1.798 63.920 62.300 -0.297 0.000 1.025 207 V CB -1.277 30.391 31.823 -0.259 0.000 0.656 207 V HN 0.605 nan 8.190 nan 0.000 0.451 208 A N -0.265 122.158 122.820 -0.661 0.000 1.940 208 A HA -0.262 4.160 4.320 0.169 0.000 0.219 208 A C 2.139 179.354 177.584 -0.615 0.000 1.176 208 A CA 1.946 53.404 52.037 -0.966 0.000 0.631 208 A CB -0.519 17.285 19.000 -1.993 0.000 0.814 208 A HN 0.632 nan 8.150 nan 0.000 0.446 209 E N -1.049 118.888 120.200 -0.438 0.000 2.268 209 E HA -0.103 4.348 4.350 0.169 0.000 0.195 209 E C 1.785 178.264 176.600 -0.202 0.000 0.995 209 E CA 1.415 57.663 56.400 -0.255 0.000 0.836 209 E CB -0.122 29.463 29.700 -0.192 0.000 0.763 209 E HN 0.657 nan 8.360 nan 0.000 0.491 210 T N 0.911 115.332 114.554 -0.222 0.000 2.925 210 T HA 0.024 4.475 4.350 0.169 0.000 0.245 210 T C 2.014 176.619 174.700 -0.159 0.000 1.025 210 T CA 0.758 62.766 62.100 -0.154 0.000 1.149 210 T CB 0.054 68.846 68.868 -0.127 0.000 0.866 210 T HN 0.273 nan 8.240 nan 0.000 0.437 211 I N -1.014 119.418 120.570 -0.231 0.000 3.968 211 I HA 0.538 4.809 4.170 0.169 0.000 0.328 211 I C 0.795 176.660 176.117 -0.421 0.000 1.290 211 I CA -0.121 60.989 61.300 -0.315 0.000 1.163 211 I CB -0.224 37.588 38.000 -0.314 0.000 1.024 211 I HN 0.289 nan 8.210 nan 0.000 0.413 212 G N 0.925 109.506 108.800 -0.366 0.000 2.879 212 G HA2 -0.251 3.810 3.960 0.169 0.000 0.686 212 G HA3 -0.251 3.810 3.960 0.169 0.000 0.686 212 G C -0.418 174.294 174.900 -0.313 0.000 1.115 212 G CA -0.209 44.697 45.100 -0.323 0.000 0.770 212 G HN 0.456 nan 8.290 nan 0.000 0.601 213 W N 0.626 121.796 121.300 -0.217 0.000 2.350 213 W HA -0.095 4.666 4.660 0.168 0.000 0.289 213 W C 2.722 179.153 176.519 -0.147 0.000 1.215 213 W CA 1.335 58.582 57.345 -0.164 0.000 1.236 213 W CB 0.068 29.436 29.460 -0.154 0.000 1.130 213 W HN 0.841 nan 8.180 nan 0.000 0.541 214 E N 0.311 120.516 120.200 0.008 0.000 2.209 214 E HA -0.218 4.234 4.350 0.169 0.000 0.196 214 E C 0.816 177.461 176.600 0.075 0.000 0.993 214 E CA 1.510 57.927 56.400 0.029 0.000 0.819 214 E CB -1.271 28.410 29.700 -0.033 0.000 0.745 214 E HN 0.498 nan 8.360 nan 0.000 0.477 215 N N 0.154 118.796 118.700 -0.096 0.000 2.336 215 N HA 0.192 5.034 4.740 0.169 0.000 0.189 215 N C -0.099 175.242 175.510 -0.282 0.000 1.113 215 N CA -0.100 52.816 53.050 -0.222 0.000 0.858 215 N CB 0.381 38.571 38.487 -0.496 0.000 0.970 215 N HN 0.110 nan 8.380 nan 0.000 0.471 216 I N 0.680 121.200 120.570 -0.084 0.000 2.287 216 I HA 0.080 4.351 4.170 0.169 0.000 0.290 216 I C 0.491 176.703 176.117 0.159 0.000 1.069 216 I CA -0.246 61.041 61.300 -0.022 0.000 1.237 216 I CB 0.615 38.646 38.000 0.051 0.000 1.418 216 I HN 0.245 nan 8.210 nan 0.000 0.481 217 H N 4.673 123.776 119.070 0.055 0.000 2.497 217 H HA 0.426 5.083 4.556 0.168 0.000 0.282 217 H C 0.641 176.005 175.328 0.060 0.000 1.003 217 H CA -0.078 56.004 56.048 0.056 0.000 1.307 217 H CB 0.632 30.420 29.762 0.044 0.000 1.437 217 H HN 0.675 nan 8.280 nan 0.000 0.544 218 A N 0.715 123.642 122.820 0.179 0.000 2.605 218 A HA 0.617 5.038 4.320 0.169 0.000 0.294 218 A C -1.300 176.346 177.584 0.103 0.000 1.062 218 A CA -0.695 51.417 52.037 0.125 0.000 0.682 218 A CB 1.571 20.633 19.000 0.103 0.000 1.278 218 A HN 0.069 nan 8.150 nan 0.000 0.410 219 M N 0.492 120.151 119.600 0.098 0.000 2.569 219 M HA 0.622 5.203 4.480 0.169 0.000 0.279 219 M C -1.097 175.247 176.300 0.074 0.000 1.253 219 M CA -0.690 54.663 55.300 0.090 0.000 0.867 219 M CB 2.868 35.541 32.600 0.122 0.000 1.727 219 M HN 0.640 nan 8.290 nan 0.000 0.467 220 K N 0.696 121.134 120.400 0.064 0.000 2.546 220 K HA 0.374 4.795 4.320 0.169 0.000 0.264 220 K C -1.933 174.698 176.600 0.052 0.000 0.937 220 K CA -0.504 55.815 56.287 0.053 0.000 0.833 220 K CB 1.721 34.245 32.500 0.041 0.000 1.378 220 K HN 0.527 nan 8.250 nan 0.000 0.432 221 D N 3.926 124.354 120.400 0.047 0.000 2.396 221 D HA 0.251 4.992 4.640 0.169 0.000 0.225 221 D C -2.024 174.296 176.300 0.032 0.000 1.121 221 D CA -1.989 52.037 54.000 0.043 0.000 0.853 221 D CB 1.089 41.914 40.800 0.042 0.000 1.043 221 D HN 0.209 nan 8.370 nan 0.000 0.500 222 P HA 0.047 nan 4.420 nan 0.000 0.226 222 P C 0.448 177.765 177.300 0.029 0.000 1.783 222 P CA -0.097 63.022 63.100 0.033 0.000 0.980 222 P CB -0.110 31.613 31.700 0.038 0.000 1.967 223 T N -0.690 113.876 114.554 0.020 0.000 3.203 223 T HA 0.057 4.508 4.350 0.169 0.000 0.183 223 T C 0.928 175.640 174.700 0.021 0.000 0.730 223 T CA -0.346 61.761 62.100 0.012 0.000 2.473 223 T CB -0.461 68.408 68.868 0.003 0.000 2.163 223 T HN 0.154 nan 8.240 nan 0.000 0.381 224 R N 1.698 122.205 120.500 0.012 0.000 2.494 224 R HA 0.247 4.688 4.340 0.169 0.000 0.291 224 R C 0.825 177.136 176.300 0.018 0.000 0.953 224 R CA 0.757 56.864 56.100 0.012 0.000 1.098 224 R CB -0.699 29.598 30.300 -0.004 0.000 0.911 224 R HN 1.003 nan 8.270 nan 0.000 0.407 225 A N 2.676 125.510 122.820 0.024 0.000 3.021 225 A HA -0.184 4.237 4.320 0.169 0.000 0.257 225 A C 1.053 178.664 177.584 0.044 0.000 1.277 225 A CA 1.309 53.364 52.037 0.030 0.000 1.012 225 A CB -2.324 16.689 19.000 0.022 0.000 1.147 225 A HN 2.017 nan 8.150 nan 0.000 0.861 226 G N -1.861 106.967 108.800 0.048 0.000 2.598 226 G HA2 -0.070 3.992 3.960 0.169 0.000 0.269 226 G HA3 -0.070 3.992 3.960 0.169 0.000 0.269 226 G C 0.770 175.708 174.900 0.063 0.000 1.289 226 G CA 0.788 45.925 45.100 0.063 0.000 0.926 226 G HN 1.888 nan 8.290 nan 0.000 0.567 227 L N 1.129 122.401 121.223 0.081 0.000 2.083 227 L HA 0.014 4.455 4.340 0.169 0.000 0.209 227 L C 3.214 180.111 176.870 0.045 0.000 1.083 227 L CA 3.398 58.273 54.840 0.058 0.000 0.752 227 L CB -0.846 41.249 42.059 0.060 0.000 0.899 227 L HN 1.234 nan 8.230 nan 0.000 0.433 228 S N -0.809 114.936 115.700 0.075 0.000 2.368 228 S HA -0.232 4.339 4.470 0.169 0.000 0.225 228 S C 1.948 176.575 174.600 0.045 0.000 1.030 228 S CA 1.376 59.612 58.200 0.060 0.000 0.999 228 S CB -1.106 62.155 63.200 0.101 0.000 0.844 228 S HN 0.626 nan 8.310 nan 0.000 0.459 229 N N 2.448 121.175 118.700 0.045 0.000 2.120 229 N HA 0.021 4.862 4.740 0.169 0.000 0.188 229 N C 1.830 177.357 175.510 0.027 0.000 1.024 229 N CA 1.581 54.650 53.050 0.032 0.000 0.852 229 N CB -0.771 37.733 38.487 0.028 0.000 1.003 229 N HN 0.509 nan 8.380 nan 0.000 0.424 230 A N 0.621 123.459 122.820 0.029 0.000 1.883 230 A HA -0.095 4.326 4.320 0.169 0.000 0.217 230 A C 2.304 179.903 177.584 0.025 0.000 1.186 230 A CA 1.250 53.303 52.037 0.027 0.000 0.624 230 A CB -0.935 18.082 19.000 0.029 0.000 0.822 230 A HN 0.376 nan 8.150 nan 0.000 0.444 231 L N -0.358 120.877 121.223 0.021 0.000 2.093 231 L HA -0.184 4.257 4.340 0.169 0.000 0.208 231 L C 2.365 179.250 176.870 0.025 0.000 1.085 231 L CA 1.171 56.022 54.840 0.018 0.000 0.755 231 L CB -0.631 41.430 42.059 0.004 0.000 0.904 231 L HN 0.455 nan 8.230 nan 0.000 0.435 232 N N 0.004 118.720 118.700 0.026 0.000 2.188 232 N HA -0.170 4.671 4.740 0.169 0.000 0.184 232 N C 1.692 177.215 175.510 0.021 0.000 1.018 232 N CA 1.180 54.245 53.050 0.025 0.000 0.858 232 N CB 0.043 38.543 38.487 0.021 0.000 0.989 232 N HN 0.478 nan 8.380 nan 0.000 0.426 233 E N 0.830 121.042 120.200 0.021 0.000 2.072 233 E HA -0.078 4.374 4.350 0.169 0.000 0.191 233 E C 2.065 178.679 176.600 0.024 0.000 0.985 233 E CA 0.656 57.068 56.400 0.019 0.000 0.801 233 E CB -0.002 29.709 29.700 0.018 0.000 0.750 233 E HN 0.324 nan 8.360 nan 0.000 0.452 234 I N 1.152 121.740 120.570 0.029 0.000 2.226 234 I HA -0.280 3.991 4.170 0.169 0.000 0.245 234 I C 2.552 178.690 176.117 0.036 0.000 1.100 234 I CA 0.974 62.295 61.300 0.035 0.000 1.374 234 I CB -0.313 37.711 38.000 0.040 0.000 1.057 234 I HN 0.092 nan 8.210 nan 0.000 0.413 235 A N 0.894 123.736 122.820 0.036 0.000 1.877 235 A HA -0.213 4.209 4.320 0.169 0.000 0.216 235 A C 2.414 180.018 177.584 0.034 0.000 1.186 235 A CA 1.625 53.686 52.037 0.041 0.000 0.620 235 A CB -0.561 18.467 19.000 0.048 0.000 0.822 235 A HN 0.320 nan 8.150 nan 0.000 0.443 236 R N -0.663 119.851 120.500 0.025 0.000 2.073 236 R HA -0.039 4.402 4.340 0.169 0.000 0.229 236 R C 2.008 178.317 176.300 0.016 0.000 1.120 236 R CA 1.235 57.346 56.100 0.017 0.000 0.967 236 R CB -0.193 30.112 30.300 0.009 0.000 0.862 236 R HN 0.290 nan 8.270 nan 0.000 0.436 237 K N 0.242 120.653 120.400 0.018 0.000 2.155 237 K HA 0.037 4.458 4.320 0.169 0.000 0.203 237 K C 1.855 178.466 176.600 0.019 0.000 1.052 237 K CA 1.036 57.333 56.287 0.017 0.000 0.948 237 K CB 0.033 32.545 32.500 0.019 0.000 0.728 237 K HN 0.007 nan 8.250 nan 0.000 0.448 238 S N 0.917 116.631 115.700 0.025 0.000 2.558 238 S HA -0.042 4.530 4.470 0.169 0.000 0.217 238 S C 0.247 174.861 174.600 0.022 0.000 0.975 238 S CA -0.086 58.129 58.200 0.025 0.000 0.912 238 S CB -0.262 62.959 63.200 0.035 0.000 0.776 238 S HN 0.385 nan 8.310 nan 0.000 0.526 239 N N 1.073 119.787 118.700 0.023 0.000 2.714 239 N HA -0.162 4.680 4.740 0.169 0.000 0.253 239 N C -0.616 174.912 175.510 0.030 0.000 1.024 239 N CA 0.798 53.861 53.050 0.022 0.000 0.726 239 N CB -1.581 36.915 38.487 0.014 0.000 0.908 239 N HN 0.324 nan 8.380 nan 0.000 0.542 240 V N -2.722 117.216 119.914 0.041 0.000 3.130 240 V HA 1.031 5.253 4.120 0.169 0.000 0.310 240 V C 0.904 177.040 176.094 0.071 0.000 1.158 240 V CA -0.406 61.925 62.300 0.052 0.000 1.029 240 V CB 1.891 33.744 31.823 0.051 0.000 1.057 240 V HN 0.263 nan 8.190 nan 0.000 0.436 241 G N 0.733 109.588 108.800 0.091 0.000 2.412 241 G HA2 0.741 4.802 3.960 0.169 0.000 0.318 241 G HA3 0.741 4.802 3.960 0.169 0.000 0.318 241 G C -0.961 173.995 174.900 0.094 0.000 1.146 241 G CA -0.794 44.381 45.100 0.126 0.000 0.882 241 G HN 0.825 nan 8.290 nan 0.000 0.501 242 I N 0.789 121.410 120.570 0.085 0.000 2.466 242 I HA 0.265 4.537 4.170 0.169 0.000 0.289 242 I C -1.156 174.980 176.117 0.031 0.000 1.026 242 I CA -0.746 60.584 61.300 0.051 0.000 1.078 242 I CB 2.233 40.254 38.000 0.036 0.000 1.249 242 I HN 0.234 nan 8.210 nan 0.000 0.429 243 L N 8.336 129.568 121.223 0.014 0.000 2.298 243 L HA 0.595 5.037 4.340 0.169 0.000 0.284 243 L C -0.925 175.926 176.870 -0.031 0.000 1.013 243 L CA -0.325 54.505 54.840 -0.016 0.000 0.824 243 L CB 1.504 43.559 42.059 -0.008 0.000 1.221 243 L HN 0.304 nan 8.230 nan 0.000 0.418 244 V N 4.916 124.796 119.914 -0.055 0.000 2.513 244 V HA 0.543 4.765 4.120 0.169 0.000 0.299 244 V C -0.134 175.912 176.094 -0.079 0.000 1.035 244 V CA -0.815 61.441 62.300 -0.073 0.000 0.889 244 V CB 1.686 33.444 31.823 -0.108 0.000 0.988 244 V HN 0.719 nan 8.190 nan 0.000 0.440 245 R N 2.717 123.176 120.500 -0.068 0.000 2.205 245 R HA 0.234 4.675 4.340 0.169 0.000 0.342 245 R C 1.126 177.387 176.300 -0.066 0.000 1.058 245 R CA 0.071 56.137 56.100 -0.057 0.000 0.904 245 R CB 0.273 30.549 30.300 -0.040 0.000 1.089 245 R HN 0.836 nan 8.270 nan 0.000 0.471 246 E N 3.521 123.682 120.200 -0.065 0.000 2.097 246 E HA -0.275 4.176 4.350 0.169 0.000 0.196 246 E C 1.099 177.692 176.600 -0.012 0.000 1.000 246 E CA 1.823 58.190 56.400 -0.056 0.000 0.804 246 E CB 0.054 29.753 29.700 -0.002 0.000 0.740 246 E HN 0.773 nan 8.360 nan 0.000 0.454 247 A N 0.694 123.511 122.820 -0.006 0.000 2.070 247 A HA -0.174 4.247 4.320 0.169 0.000 0.220 247 A C 1.458 179.041 177.584 -0.001 0.000 1.159 247 A CA 1.676 53.716 52.037 0.005 0.000 0.656 247 A CB -0.197 18.802 19.000 -0.001 0.000 0.800 247 A HN 0.262 nan 8.150 nan 0.000 0.453 248 D N -0.518 119.871 120.400 -0.017 0.000 2.348 248 D HA 0.136 4.877 4.640 0.169 0.000 0.211 248 D C 0.355 176.643 176.300 -0.020 0.000 0.998 248 D CA 0.139 54.128 54.000 -0.019 0.000 0.873 248 D CB -0.058 40.726 40.800 -0.027 0.000 0.925 248 D HN 0.460 nan 8.370 nan 0.000 0.524 249 I N 3.828 124.383 120.570 -0.025 0.000 2.505 249 I HA 0.068 4.340 4.170 0.169 0.000 0.287 249 I C -1.973 174.161 176.117 0.029 0.000 1.104 249 I CA -1.519 59.770 61.300 -0.019 0.000 1.387 249 I CB 0.537 38.498 38.000 -0.065 0.000 1.404 249 I HN -0.265 nan 8.210 nan 0.000 0.528 250 P HA 0.238 nan 4.420 nan 0.000 0.276 250 P C -0.846 176.481 177.300 0.045 0.000 1.253 250 P CA 0.079 63.195 63.100 0.027 0.000 0.766 250 P CB 0.836 32.544 31.700 0.013 0.000 0.845 251 I N 3.717 124.311 120.570 0.040 0.000 2.499 251 I HA 0.331 4.602 4.170 0.169 0.000 0.288 251 I C 0.882 176.995 176.117 -0.006 0.000 1.048 251 I CA -0.988 60.331 61.300 0.032 0.000 1.062 251 I CB 2.049 40.078 38.000 0.049 0.000 1.238 251 I HN 0.252 nan 8.210 nan 0.000 0.426 252 R N 6.034 126.518 120.500 -0.027 0.000 2.590 252 R HA 0.126 4.567 4.340 0.169 0.000 0.274 252 R C -1.422 174.822 176.300 -0.093 0.000 1.061 252 R CA -1.086 54.979 56.100 -0.058 0.000 1.081 252 R CB 0.445 30.700 30.300 -0.075 0.000 0.984 252 R HN 0.317 nan 8.270 nan 0.000 0.448 253 P HA -0.210 nan 4.420 nan 0.000 0.216 253 P C 0.296 177.468 177.300 -0.214 0.000 1.153 253 P CA 1.419 64.451 63.100 -0.114 0.000 0.858 253 P CB 0.206 31.855 31.700 -0.086 0.000 0.789 254 E N -0.880 119.107 120.200 -0.356 0.000 2.204 254 E HA -0.080 4.371 4.350 0.169 0.000 0.194 254 E C 1.898 178.149 176.600 -0.582 0.000 0.989 254 E CA 0.811 56.737 56.400 -0.791 0.000 0.824 254 E CB -0.461 28.602 29.700 -1.062 0.000 0.756 254 E HN 0.113 nan 8.360 nan 0.000 0.477 255 V N 1.212 120.951 119.914 -0.291 0.000 2.453 255 V HA -0.207 4.015 4.120 0.169 0.000 0.247 255 V C 2.381 178.410 176.094 -0.109 0.000 1.048 255 V CA 1.643 63.850 62.300 -0.154 0.000 1.049 255 V CB -0.367 31.403 31.823 -0.089 0.000 0.672 255 V HN 0.100 nan 8.190 nan 0.000 0.457 256 R N 0.974 121.409 120.500 -0.108 0.000 2.081 256 R HA -0.117 4.324 4.340 0.169 0.000 0.235 256 R C 2.183 178.456 176.300 -0.045 0.000 1.131 256 R CA 1.937 57.993 56.100 -0.074 0.000 0.960 256 R CB -0.793 29.473 30.300 -0.058 0.000 0.856 256 R HN 0.445 nan 8.270 nan 0.000 0.436 257 A N 0.180 122.975 122.820 -0.042 0.000 1.877 257 A HA -0.032 4.389 4.320 0.169 0.000 0.216 257 A C 2.383 180.053 177.584 0.143 0.000 1.186 257 A CA 1.744 53.818 52.037 0.063 0.000 0.620 257 A CB -1.137 17.947 19.000 0.140 0.000 0.822 257 A HN 0.497 nan 8.150 nan 0.000 0.443 258 A N 0.317 123.250 122.820 0.188 0.000 1.933 258 A HA -0.091 4.330 4.320 0.169 0.000 0.218 258 A C 2.516 180.153 177.584 0.087 0.000 1.175 258 A CA 2.379 54.559 52.037 0.238 0.000 0.628 258 A CB -1.007 18.163 19.000 0.282 0.000 0.814 258 A HN 1.023 nan 8.150 nan 0.000 0.444 259 S N -0.131 115.583 115.700 0.024 0.000 2.382 259 S HA -0.234 4.337 4.470 0.169 0.000 0.228 259 S C 1.865 176.456 174.600 -0.015 0.000 1.027 259 S CA 1.507 59.697 58.200 -0.017 0.000 0.991 259 S CB -0.439 62.719 63.200 -0.070 0.000 0.823 259 S HN 0.710 nan 8.310 nan 0.000 0.469 260 E N 1.030 121.227 120.200 -0.004 0.000 2.077 260 E HA -0.111 4.340 4.350 0.169 0.000 0.193 260 E C 2.134 178.739 176.600 0.009 0.000 0.989 260 E CA 1.271 57.669 56.400 -0.003 0.000 0.800 260 E CB -0.279 29.423 29.700 0.004 0.000 0.746 260 E HN 0.627 nan 8.360 nan 0.000 0.452 261 M N 0.136 119.754 119.600 0.030 0.000 2.213 261 M HA -0.122 4.459 4.480 0.169 0.000 0.263 261 M C 2.082 178.389 176.300 0.011 0.000 1.062 261 M CA 1.106 56.419 55.300 0.023 0.000 1.105 261 M CB -0.019 32.601 32.600 0.034 0.000 1.385 261 M HN 0.203 nan 8.290 nan 0.000 0.417 262 L N -0.698 120.532 121.223 0.013 0.000 2.418 262 L HA 0.128 4.569 4.340 0.169 0.000 0.218 262 L C 1.303 178.170 176.870 -0.005 0.000 1.125 262 L CA 0.328 55.170 54.840 0.004 0.000 0.835 262 L CB -0.441 41.622 42.059 0.007 0.000 0.953 262 L HN 0.581 nan 8.230 nan 0.000 0.454 263 G N 1.345 110.139 108.800 -0.009 0.000 2.198 263 G HA2 -0.300 3.761 3.960 0.169 0.000 0.257 263 G HA3 -0.300 3.761 3.960 0.169 0.000 0.257 263 G C -0.166 174.721 174.900 -0.021 0.000 1.042 263 G CA 0.495 45.586 45.100 -0.014 0.000 0.791 263 G HN 0.332 nan 8.290 nan 0.000 0.502 264 I N -0.351 120.200 120.570 -0.032 0.000 2.828 264 I HA 0.718 4.989 4.170 0.169 0.000 0.302 264 I C 0.196 176.266 176.117 -0.079 0.000 1.101 264 I CA -0.915 60.361 61.300 -0.040 0.000 1.031 264 I CB 2.052 40.035 38.000 -0.027 0.000 1.231 264 I HN 0.164 nan 8.210 nan 0.000 0.427 265 S N 6.421 122.062 115.700 -0.098 0.000 2.537 265 S HA 0.455 5.026 4.470 0.169 0.000 0.275 265 S C -1.682 172.794 174.600 -0.207 0.000 1.272 265 S CA -1.456 56.618 58.200 -0.210 0.000 1.050 265 S CB 1.198 64.267 63.200 -0.218 0.000 0.961 265 S HN 0.531 nan 8.310 nan 0.000 0.496 266 P HA -0.064 nan 4.420 nan 0.000 0.226 266 P C 0.365 177.652 177.300 -0.021 0.000 1.153 266 P CA 0.895 63.904 63.100 -0.151 0.000 0.777 266 P CB -0.125 31.486 31.700 -0.148 0.000 0.794 267 Y N 0.432 120.738 120.300 0.009 0.000 2.561 267 Y HA 0.013 4.664 4.550 0.168 0.000 0.291 267 Y C 1.510 177.419 175.900 0.014 0.000 1.141 267 Y CA -0.065 58.042 58.100 0.011 0.000 1.303 267 Y CB -1.089 37.378 38.460 0.011 0.000 1.015 267 Y HN 0.008 nan 8.280 nan 0.000 0.547 268 D N -0.493 119.973 120.400 0.110 0.000 2.398 268 D HA 0.118 4.860 4.640 0.169 0.000 0.210 268 D C 0.464 176.793 176.300 0.048 0.000 1.094 268 D CA 0.314 54.358 54.000 0.073 0.000 0.839 268 D CB 0.459 41.286 40.800 0.045 0.000 0.963 268 D HN 0.175 nan 8.370 nan 0.000 0.506 269 V N -2.144 117.797 119.914 0.047 0.000 2.994 269 V HA 0.859 5.081 4.120 0.169 0.000 0.318 269 V C 0.235 176.366 176.094 0.062 0.000 1.085 269 V CA -1.512 60.812 62.300 0.041 0.000 0.998 269 V CB 1.461 33.297 31.823 0.021 0.000 1.063 269 V HN -0.012 nan 8.190 nan 0.000 0.447 270 A N 2.492 125.357 122.820 0.075 0.000 2.498 270 A HA 0.407 4.828 4.320 0.169 0.000 0.239 270 A C 0.237 177.888 177.584 0.112 0.000 1.068 270 A CA -0.148 51.942 52.037 0.089 0.000 0.766 270 A CB -0.538 18.527 19.000 0.108 0.000 1.003 270 A HN 0.940 nan 8.150 nan 0.000 0.497 271 N N 0.944 119.679 118.700 0.059 0.000 2.319 271 N HA 0.365 5.206 4.740 0.169 0.000 0.305 271 N C -0.581 174.908 175.510 -0.036 0.000 1.103 271 N CA -0.490 52.593 53.050 0.054 0.000 0.815 271 N CB 1.847 40.363 38.487 0.049 0.000 1.288 271 N HN 0.663 nan 8.380 nan 0.000 0.493 272 E N 0.053 120.212 120.200 -0.067 0.000 2.759 272 E HA 0.216 4.667 4.350 0.169 0.000 0.220 272 E C 0.215 176.793 176.600 -0.036 0.000 0.974 272 E CA -0.022 56.292 56.400 -0.143 0.000 1.148 272 E CB 1.026 30.477 29.700 -0.415 0.000 1.059 272 E HN 0.810 nan 8.360 nan 0.000 0.493 273 G N 0.920 109.727 108.800 0.011 0.000 5.021 273 G HA2 0.148 4.210 3.960 0.169 0.000 0.254 273 G HA3 0.148 4.210 3.960 0.169 0.000 0.254 273 G C 0.116 175.038 174.900 0.036 0.000 0.932 273 G CA -0.289 44.830 45.100 0.032 0.000 0.743 273 G HN -0.219 nan 8.290 nan 0.000 0.441 274 K N -0.002 120.418 120.400 0.034 0.000 2.482 274 K HA 0.752 5.173 4.320 0.169 0.000 0.257 274 K C -1.452 175.171 176.600 0.039 0.000 0.969 274 K CA -0.897 55.411 56.287 0.035 0.000 0.842 274 K CB 2.808 35.329 32.500 0.035 0.000 1.359 274 K HN 0.084 nan 8.250 nan 0.000 0.441 275 V N 0.738 120.674 119.914 0.036 0.000 2.789 275 V HA 0.473 4.694 4.120 0.169 0.000 0.311 275 V C -1.290 174.823 176.094 0.032 0.000 1.073 275 V CA -0.790 61.536 62.300 0.044 0.000 0.921 275 V CB 2.204 34.061 31.823 0.056 0.000 1.009 275 V HN 0.429 nan 8.190 nan 0.000 0.426 276 V N 7.529 127.464 119.914 0.036 0.000 2.407 276 V HA 0.544 4.765 4.120 0.169 0.000 0.278 276 V C 0.075 176.188 176.094 0.033 0.000 1.037 276 V CA -0.257 62.059 62.300 0.027 0.000 0.900 276 V CB 1.352 33.191 31.823 0.027 0.000 0.983 276 V HN 0.909 nan 8.190 nan 0.000 0.459 277 M N 5.633 125.245 119.600 0.020 0.000 2.327 277 M HA 0.622 5.203 4.480 0.169 0.000 0.298 277 M C -1.807 174.500 176.300 0.011 0.000 1.065 277 M CA -0.527 54.786 55.300 0.021 0.000 0.916 277 M CB 2.091 34.692 32.600 0.003 0.000 1.630 277 M HN 0.401 nan 8.290 nan 0.000 0.442 278 V N 5.605 125.533 119.914 0.024 0.000 2.370 278 V HA 0.592 4.813 4.120 0.169 0.000 0.283 278 V C -0.385 175.690 176.094 -0.032 0.000 1.023 278 V CA -0.649 61.663 62.300 0.020 0.000 0.857 278 V CB 1.314 33.175 31.823 0.064 0.000 0.985 278 V HN 0.686 nan 8.190 nan 0.000 0.443 279 V N 2.404 122.269 119.914 -0.082 0.000 2.864 279 V HA 0.972 5.194 4.120 0.169 0.000 0.314 279 V C 0.367 176.326 176.094 -0.225 0.000 1.073 279 V CA -1.041 61.145 62.300 -0.190 0.000 0.956 279 V CB 1.707 33.468 31.823 -0.103 0.000 1.023 279 V HN 1.056 nan 8.190 nan 0.000 0.435 280 A N 2.875 125.457 122.820 -0.397 0.000 2.567 280 A HA 0.237 4.658 4.320 0.169 0.000 0.240 280 A C 1.400 178.993 177.584 0.016 0.000 1.053 280 A CA 0.683 52.630 52.037 -0.149 0.000 0.755 280 A CB -0.299 18.717 19.000 0.028 0.000 0.978 280 A HN 1.098 nan 8.150 nan 0.000 0.507 281 R N 1.204 121.721 120.500 0.027 0.000 2.113 281 R HA -0.203 4.238 4.340 0.169 0.000 0.244 281 R C 1.865 178.136 176.300 -0.049 0.000 1.142 281 R CA 2.082 58.181 56.100 -0.002 0.000 0.953 281 R CB -0.123 30.180 30.300 0.004 0.000 0.860 281 R HN 0.945 nan 8.270 nan 0.000 0.438 282 E N -0.485 119.656 120.200 -0.097 0.000 2.409 282 E HA -0.201 4.250 4.350 0.169 0.000 0.198 282 E C 0.553 176.852 176.600 -0.501 0.000 1.024 282 E CA 1.198 57.424 56.400 -0.290 0.000 0.861 282 E CB -0.172 29.303 29.700 -0.375 0.000 0.788 282 E HN 0.574 nan 8.360 nan 0.000 0.521 283 Y N -0.094 120.168 120.300 -0.063 0.000 2.481 283 Y HA 0.483 5.134 4.550 0.169 0.000 0.247 283 Y C 2.256 178.107 175.900 -0.082 0.000 1.151 283 Y CA 0.078 58.131 58.100 -0.077 0.000 1.238 283 Y CB 0.424 38.825 38.460 -0.099 0.000 1.179 283 Y HN 0.120 nan 8.280 nan 0.000 0.524 284 A N 0.381 123.206 122.820 0.009 0.000 1.883 284 A HA -0.194 4.227 4.320 0.169 0.000 0.217 284 A C 2.175 179.748 177.584 -0.019 0.000 1.186 284 A CA 1.940 53.971 52.037 -0.011 0.000 0.624 284 A CB -0.262 18.723 19.000 -0.024 0.000 0.822 284 A HN 0.266 nan 8.150 nan 0.000 0.444 285 E N -0.183 119.998 120.200 -0.032 0.000 2.072 285 E HA -0.163 4.288 4.350 0.169 0.000 0.191 285 E C 2.005 178.590 176.600 -0.025 0.000 0.985 285 E CA 1.221 57.601 56.400 -0.033 0.000 0.801 285 E CB -0.338 29.337 29.700 -0.043 0.000 0.750 285 E HN 0.751 nan 8.360 nan 0.000 0.452 286 E N 0.338 120.531 120.200 -0.011 0.000 2.077 286 E HA -0.155 4.297 4.350 0.169 0.000 0.193 286 E C 1.999 178.589 176.600 -0.016 0.000 0.989 286 E CA 0.939 57.339 56.400 0.001 0.000 0.800 286 E CB -0.051 29.683 29.700 0.056 0.000 0.746 286 E HN 0.171 nan 8.360 nan 0.000 0.452 287 A N 1.241 124.053 122.820 -0.014 0.000 1.902 287 A HA -0.171 4.251 4.320 0.169 0.000 0.217 287 A C 2.161 179.714 177.584 -0.051 0.000 1.181 287 A CA 1.015 53.022 52.037 -0.050 0.000 0.623 287 A CB -0.563 18.406 19.000 -0.052 0.000 0.818 287 A HN 0.225 nan 8.150 nan 0.000 0.443 288 L N 0.194 121.394 121.223 -0.038 0.000 2.012 288 L HA -0.188 4.253 4.340 0.169 0.000 0.210 288 L C 2.185 179.033 176.870 -0.037 0.000 1.073 288 L CA 2.586 57.404 54.840 -0.036 0.000 0.748 288 L CB -0.711 41.330 42.059 -0.029 0.000 0.891 288 L HN 0.536 nan 8.230 nan 0.000 0.431 289 E N -0.609 119.570 120.200 -0.036 0.000 2.110 289 E HA -0.202 4.250 4.350 0.169 0.000 0.193 289 E C 2.176 178.749 176.600 -0.045 0.000 0.988 289 E CA 1.077 57.456 56.400 -0.036 0.000 0.804 289 E CB -0.322 29.359 29.700 -0.032 0.000 0.745 289 E HN 0.669 nan 8.360 nan 0.000 0.458 290 A N 0.951 123.737 122.820 -0.056 0.000 1.902 290 A HA -0.198 4.224 4.320 0.169 0.000 0.217 290 A C 2.147 179.685 177.584 -0.075 0.000 1.181 290 A CA 1.376 53.369 52.037 -0.074 0.000 0.623 290 A CB -0.403 18.537 19.000 -0.100 0.000 0.818 290 A HN 0.141 nan 8.150 nan 0.000 0.443 291 M N -1.165 118.393 119.600 -0.070 0.000 2.099 291 M HA -0.115 4.466 4.480 0.169 0.000 0.262 291 M C 2.257 178.529 176.300 -0.046 0.000 1.067 291 M CA 1.402 56.665 55.300 -0.062 0.000 1.124 291 M CB -0.346 32.223 32.600 -0.052 0.000 1.353 291 M HN 0.310 nan 8.290 nan 0.000 0.410 292 R N 0.423 120.900 120.500 -0.039 0.000 2.241 292 R HA -0.095 4.346 4.340 0.169 0.000 0.224 292 R C 1.760 178.042 176.300 -0.030 0.000 1.101 292 R CA 0.875 56.957 56.100 -0.030 0.000 0.995 292 R CB -0.209 30.075 30.300 -0.026 0.000 0.870 292 R HN 0.419 nan 8.270 nan 0.000 0.463 293 K N 0.204 120.582 120.400 -0.037 0.000 2.365 293 K HA -0.017 4.404 4.320 0.169 0.000 0.197 293 K C 0.852 177.430 176.600 -0.036 0.000 1.042 293 K CA 0.814 57.079 56.287 -0.035 0.000 0.987 293 K CB 0.303 32.779 32.500 -0.041 0.000 0.779 293 K HN 0.204 nan 8.250 nan 0.000 0.484 294 T N -2.170 112.360 114.554 -0.040 0.000 2.918 294 T HA 0.265 4.717 4.350 0.169 0.000 0.283 294 T C 1.320 176.006 174.700 -0.023 0.000 1.001 294 T CA -0.132 61.945 62.100 -0.037 0.000 1.041 294 T CB 1.725 70.564 68.868 -0.050 0.000 1.028 294 T HN 0.174 nan 8.240 nan 0.000 0.511 295 E N 1.125 121.316 120.200 -0.016 0.000 2.072 295 E HA -0.109 4.342 4.350 0.169 0.000 0.191 295 E C 1.891 178.490 176.600 -0.002 0.000 0.985 295 E CA 1.454 57.850 56.400 -0.007 0.000 0.801 295 E CB -0.783 28.917 29.700 -0.001 0.000 0.750 295 E HN 0.866 nan 8.360 nan 0.000 0.452 296 K N -0.819 119.579 120.400 -0.002 0.000 2.432 296 K HA 0.102 4.523 4.320 0.169 0.000 0.196 296 K C 1.857 178.457 176.600 -0.001 0.000 1.038 296 K CA 0.480 56.770 56.287 0.005 0.000 0.986 296 K CB 0.438 32.946 32.500 0.012 0.000 0.782 296 K HN 0.318 nan 8.250 nan 0.000 0.485 297 G N 0.316 109.108 108.800 -0.012 0.000 3.393 297 G HA2 -0.034 4.028 3.960 0.169 0.000 0.255 297 G HA3 -0.034 4.028 3.960 0.169 0.000 0.255 297 G C 0.988 175.878 174.900 -0.015 0.000 1.097 297 G CA -0.346 44.744 45.100 -0.016 0.000 0.780 297 G HN -0.009 nan 8.290 nan 0.000 0.540 298 R N 1.154 121.648 120.500 -0.011 0.000 2.117 298 R HA -0.094 4.347 4.340 0.169 0.000 0.243 298 R C 0.976 177.270 176.300 -0.009 0.000 1.143 298 R CA 1.107 57.200 56.100 -0.010 0.000 0.968 298 R CB -0.542 29.755 30.300 -0.006 0.000 0.863 298 R HN 0.446 nan 8.270 nan 0.000 0.444 299 N N 0.238 118.935 118.700 -0.005 0.000 2.276 299 N HA 0.186 5.027 4.740 0.169 0.000 0.212 299 N C -0.266 175.241 175.510 -0.005 0.000 1.127 299 N CA -0.212 52.836 53.050 -0.004 0.000 0.834 299 N CB 0.614 39.102 38.487 0.001 0.000 1.014 299 N HN 0.133 nan 8.380 nan 0.000 0.491 300 A N 0.974 123.788 122.820 -0.010 0.000 2.507 300 A HA 0.575 4.996 4.320 0.169 0.000 0.235 300 A C 0.333 177.909 177.584 -0.014 0.000 1.070 300 A CA 0.107 52.136 52.037 -0.012 0.000 0.768 300 A CB 0.245 19.233 19.000 -0.020 0.000 1.011 300 A HN 0.265 nan 8.150 nan 0.000 0.502 301 A N 1.048 123.860 122.820 -0.014 0.000 2.594 301 A HA 0.629 5.050 4.320 0.169 0.000 0.295 301 A C -0.678 176.894 177.584 -0.020 0.000 1.071 301 A CA -0.570 51.457 52.037 -0.016 0.000 0.685 301 A CB 0.754 19.745 19.000 -0.014 0.000 1.285 301 A HN 0.753 nan 8.150 nan 0.000 0.405 302 I N 2.301 122.858 120.570 -0.021 0.000 2.371 302 I HA 0.247 4.518 4.170 0.169 0.000 0.290 302 I C 0.966 177.067 176.117 -0.026 0.000 1.028 302 I CA 0.019 61.305 61.300 -0.023 0.000 1.345 302 I CB 1.100 39.086 38.000 -0.022 0.000 1.407 302 I HN 0.713 nan 8.210 nan 0.000 0.501 303 I N 2.384 122.936 120.570 -0.030 0.000 4.139 303 I HA 0.609 4.880 4.170 0.169 0.000 0.335 303 I C 0.649 176.740 176.117 -0.043 0.000 1.327 303 I CA -0.116 61.159 61.300 -0.041 0.000 1.112 303 I CB 0.492 38.458 38.000 -0.057 0.000 1.058 303 I HN 0.599 nan 8.210 nan 0.000 0.396 304 G N 1.561 110.343 108.800 -0.031 0.000 2.341 304 G HA2 0.462 4.524 3.960 0.169 0.000 0.299 304 G HA3 0.462 4.524 3.960 0.169 0.000 0.299 304 G C -2.005 172.888 174.900 -0.011 0.000 1.274 304 G CA -0.287 44.797 45.100 -0.025 0.000 0.853 304 G HN 0.433 nan 8.290 nan 0.000 0.493 305 E N -1.544 118.655 120.200 -0.002 0.000 2.413 305 E HA 0.634 5.085 4.350 0.169 0.000 0.277 305 E C -1.432 175.183 176.600 0.024 0.000 0.958 305 E CA -0.994 55.412 56.400 0.011 0.000 0.779 305 E CB 2.170 31.876 29.700 0.010 0.000 1.278 305 E HN 0.417 nan 8.360 nan 0.000 0.456 306 V N 2.483 122.419 119.914 0.037 0.000 2.498 306 V HA 0.358 4.579 4.120 0.169 0.000 0.279 306 V C 0.460 176.585 176.094 0.052 0.000 1.048 306 V CA -0.280 62.050 62.300 0.050 0.000 0.967 306 V CB 0.333 32.193 31.823 0.061 0.000 0.988 306 V HN 0.626 nan 8.190 nan 0.000 0.473 307 I N 1.835 122.442 120.570 0.062 0.000 3.067 307 I HA 0.836 5.107 4.170 0.169 0.000 0.312 307 I C 0.828 176.986 176.117 0.068 0.000 1.073 307 I CA -0.959 60.381 61.300 0.066 0.000 1.016 307 I CB 2.252 40.303 38.000 0.085 0.000 1.227 307 I HN 0.495 nan 8.210 nan 0.000 0.456 308 A N 1.080 123.933 122.820 0.056 0.000 2.238 308 A HA 0.211 4.632 4.320 0.169 0.000 0.210 308 A C 0.440 178.043 177.584 0.032 0.000 1.179 308 A CA 0.297 52.358 52.037 0.039 0.000 0.827 308 A CB -0.517 18.497 19.000 0.023 0.000 0.856 308 A HN 0.823 nan 8.150 nan 0.000 0.488 309 D N -1.971 118.464 120.400 0.058 0.000 2.385 309 D HA 0.424 5.166 4.640 0.169 0.000 0.254 309 D C -0.478 175.900 176.300 0.131 0.000 1.053 309 D CA -0.325 53.678 54.000 0.006 0.000 0.992 309 D CB 0.328 41.109 40.800 -0.033 0.000 1.145 309 D HN 0.181 nan 8.370 nan 0.000 0.523 310 Y N -0.553 119.789 120.300 0.069 0.000 3.108 310 Y HA -0.285 4.366 4.550 0.169 0.000 0.208 310 Y C 0.479 176.417 175.900 0.063 0.000 1.245 310 Y CA 0.368 58.524 58.100 0.094 0.000 1.171 310 Y CB -1.792 36.782 38.460 0.190 0.000 1.331 310 Y HN 0.073 nan 8.280 nan 0.000 0.534 311 R N 0.639 121.208 120.500 0.114 0.000 2.484 311 R HA 0.291 4.732 4.340 0.169 0.000 0.293 311 R C 1.420 177.761 176.300 0.069 0.000 1.023 311 R CA 1.017 57.166 56.100 0.082 0.000 1.037 311 R CB 0.214 30.538 30.300 0.040 0.000 0.951 311 R HN 0.700 nan 8.270 nan 0.000 0.418 312 G N 1.755 110.594 108.800 0.064 0.000 2.195 312 G HA2 -0.202 3.859 3.960 0.169 0.000 0.224 312 G HA3 -0.202 3.859 3.960 0.169 0.000 0.224 312 G C -0.131 174.791 174.900 0.036 0.000 0.990 312 G CA -0.251 44.872 45.100 0.038 0.000 0.639 312 G HN 0.414 nan 8.290 nan 0.000 0.514 313 K N 0.054 120.503 120.400 0.081 0.000 2.281 313 K HA 0.797 5.219 4.320 0.169 0.000 0.242 313 K C -0.374 176.315 176.600 0.148 0.000 0.971 313 K CA -0.810 55.531 56.287 0.090 0.000 0.834 313 K CB 2.492 35.056 32.500 0.108 0.000 1.181 313 K HN 0.232 nan 8.250 nan 0.000 0.435 314 V N 2.797 122.812 119.914 0.169 0.000 2.409 314 V HA 0.321 4.542 4.120 0.169 0.000 0.291 314 V C -0.728 175.453 176.094 0.145 0.000 1.020 314 V CA -0.954 61.419 62.300 0.122 0.000 0.848 314 V CB 1.306 33.170 31.823 0.068 0.000 0.990 314 V HN 0.448 nan 8.190 nan 0.000 0.430 315 L N 5.636 126.872 121.223 0.022 0.000 2.295 315 L HA 0.577 5.019 4.340 0.169 0.000 0.285 315 L C -0.463 176.331 176.870 -0.126 0.000 1.035 315 L CA -0.246 54.507 54.840 -0.146 0.000 0.806 315 L CB 1.487 43.388 42.059 -0.263 0.000 1.214 315 L HN 0.525 nan 8.230 nan 0.000 0.426 316 L N 3.275 124.408 121.223 -0.149 0.000 2.305 316 L HA 0.423 4.864 4.340 0.169 0.000 0.284 316 L C -0.158 176.643 176.870 -0.115 0.000 1.013 316 L CA -0.012 54.760 54.840 -0.113 0.000 0.819 316 L CB 1.156 43.166 42.059 -0.081 0.000 1.227 316 L HN 0.561 nan 8.230 nan 0.000 0.417 317 E N 3.477 123.621 120.200 -0.093 0.000 1.996 317 E HA 0.195 4.646 4.350 0.169 0.000 0.280 317 E C -0.248 176.321 176.600 -0.053 0.000 1.092 317 E CA -0.306 56.048 56.400 -0.077 0.000 0.862 317 E CB 0.448 30.110 29.700 -0.063 0.000 1.066 317 E HN 0.694 nan 8.360 nan 0.000 0.396 318 T N -0.082 114.446 114.554 -0.044 0.000 2.919 318 T HA 0.126 4.577 4.350 0.169 0.000 0.302 318 T C 1.374 176.068 174.700 -0.012 0.000 1.031 318 T CA -0.401 61.690 62.100 -0.016 0.000 1.127 318 T CB 1.590 70.452 68.868 -0.010 0.000 0.952 318 T HN 0.445 nan 8.240 nan 0.000 0.540 319 G N 1.364 110.166 108.800 0.003 0.000 2.408 319 G HA2 -0.031 4.031 3.960 0.169 0.000 0.217 319 G HA3 -0.031 4.031 3.960 0.169 0.000 0.217 319 G C 1.720 176.620 174.900 -0.001 0.000 1.150 319 G CA 0.726 45.827 45.100 0.001 0.000 0.776 319 G HN 1.156 nan 8.290 nan 0.000 0.542 320 I N 0.452 121.023 120.570 0.002 0.000 3.164 320 I HA 0.459 4.730 4.170 0.169 0.000 0.278 320 I C 1.493 177.606 176.117 -0.007 0.000 1.320 320 I CA 1.139 62.439 61.300 -0.001 0.000 1.422 320 I CB -1.510 36.492 38.000 0.002 0.000 1.066 320 I HN 1.249 nan 8.210 nan 0.000 0.503 321 G N -1.401 107.392 108.800 -0.011 0.000 3.209 321 G HA2 0.581 4.643 3.960 0.169 0.000 0.686 321 G HA3 0.581 4.643 3.960 0.169 0.000 0.686 321 G C 0.337 175.222 174.900 -0.025 0.000 1.065 321 G CA -0.162 44.928 45.100 -0.017 0.000 0.812 321 G HN 2.896 nan 8.290 nan 0.000 0.573 322 G N -0.454 108.325 108.800 -0.036 0.000 2.384 322 G HA2 0.691 4.752 3.960 0.169 0.000 0.668 322 G HA3 0.691 4.752 3.960 0.169 0.000 0.668 322 G C -0.451 174.404 174.900 -0.076 0.000 1.280 322 G CA 0.723 45.793 45.100 -0.051 0.000 0.992 322 G HN 2.723 nan 8.290 nan 0.000 0.512 323 K N -0.542 119.793 120.400 -0.109 0.000 2.498 323 K HA 1.022 5.443 4.320 0.169 0.000 0.254 323 K C -0.080 176.385 176.600 -0.225 0.000 0.933 323 K CA 0.236 56.420 56.287 -0.171 0.000 0.806 323 K CB 1.883 34.259 32.500 -0.208 0.000 1.301 323 K HN 1.870 nan 8.250 nan 0.000 0.432 324 R N 0.257 120.598 120.500 -0.264 0.000 2.734 324 R HA 0.703 5.144 4.340 0.169 0.000 0.271 324 R C -1.386 174.710 176.300 -0.340 0.000 1.021 324 R CA -0.820 55.112 56.100 -0.281 0.000 0.893 324 R CB 1.047 31.286 30.300 -0.101 0.000 1.244 324 R HN 0.349 nan 8.270 nan 0.000 0.464 325 F N 1.585 121.494 119.950 -0.068 0.000 2.443 325 F HA 0.288 4.916 4.527 0.169 0.000 0.353 325 F C 0.992 176.775 175.800 -0.029 0.000 1.101 325 F CA -0.508 57.453 58.000 -0.066 0.000 1.226 325 F CB 1.380 40.346 39.000 -0.056 0.000 1.140 325 F HN 0.297 nan 8.300 nan 0.000 0.557 326 M N 4.755 124.452 119.600 0.161 0.000 2.094 326 M HA 0.229 4.811 4.480 0.169 0.000 0.348 326 M C -0.878 175.490 176.300 0.114 0.000 1.267 326 M CA -0.268 55.095 55.300 0.105 0.000 1.125 326 M CB 0.191 32.813 32.600 0.037 0.000 1.527 326 M HN 0.511 nan 8.290 nan 0.000 0.447 327 E N 5.752 126.017 120.200 0.107 0.000 2.214 327 E HA 0.524 4.975 4.350 0.169 0.000 0.274 327 E C -2.523 174.115 176.600 0.064 0.000 0.977 327 E CA -1.778 54.666 56.400 0.073 0.000 0.827 327 E CB 1.094 30.831 29.700 0.062 0.000 1.130 327 E HN 0.476 nan 8.360 nan 0.000 0.394 328 P HA 0.084 nan 4.420 nan 0.000 0.270 328 P C -2.386 174.938 177.300 0.039 0.000 1.223 328 P CA -0.897 62.228 63.100 0.043 0.000 0.785 328 P CB -0.320 31.396 31.700 0.027 0.000 0.923 329 P HA -0.057 nan 4.420 nan 0.000 0.264 329 P C 0.336 177.648 177.300 0.020 0.000 1.193 329 P CA 0.360 63.478 63.100 0.029 0.000 0.763 329 P CB 0.607 32.323 31.700 0.026 0.000 0.810 330 E N 1.615 121.825 120.200 0.017 0.000 2.527 330 E HA 0.017 4.468 4.350 0.169 0.000 0.204 330 E C 1.292 177.896 176.600 0.007 0.000 1.132 330 E CA 0.802 57.209 56.400 0.012 0.000 0.905 330 E CB -0.510 29.197 29.700 0.012 0.000 0.875 330 E HN 0.811 nan 8.360 nan 0.000 0.548 331 G N -0.265 108.540 108.800 0.007 0.000 2.286 331 G HA2 -0.094 3.968 3.960 0.169 0.000 0.118 331 G HA3 -0.094 3.968 3.960 0.169 0.000 0.118 331 G C -0.392 174.510 174.900 0.003 0.000 1.267 331 G CA 0.357 45.458 45.100 0.003 0.000 1.171 331 G HN 0.187 nan 8.290 nan 0.000 0.465 332 D N 0.817 121.217 120.400 0.001 0.000 3.025 332 D HA 0.190 4.932 4.640 0.169 0.000 0.201 332 D C -1.312 174.989 176.300 0.001 0.000 1.267 332 D CA 1.131 55.132 54.000 0.001 0.000 0.736 332 D CB -1.682 39.119 40.800 0.002 0.000 0.883 332 D HN 0.560 nan 8.370 nan 0.000 0.388 333 P HA 0.303 nan 4.420 nan 0.000 0.261 333 P C 0.369 177.670 177.300 0.001 0.000 1.203 333 P CA -0.659 62.440 63.100 -0.001 0.000 0.767 333 P CB 1.183 32.878 31.700 -0.007 0.000 0.785 334 V N 7.104 127.020 119.914 0.004 0.000 2.539 334 V HA -0.062 4.159 4.120 0.169 0.000 0.294 334 V C -1.321 174.776 176.094 0.005 0.000 0.994 334 V CA -0.753 61.549 62.300 0.003 0.000 1.169 334 V CB -1.115 30.709 31.823 0.002 0.000 0.898 334 V HN 0.613 nan 8.190 nan 0.000 0.471 335 P HA -0.007 nan 4.420 nan 0.000 0.262 335 P C 0.275 177.587 177.300 0.020 0.000 1.182 335 P CA -0.082 63.025 63.100 0.011 0.000 0.761 335 P CB 0.215 31.924 31.700 0.015 0.000 0.795 336 R N 2.171 122.686 120.500 0.025 0.000 3.034 336 R HA -0.178 4.263 4.340 0.169 0.000 0.237 336 R C 1.080 177.408 176.300 0.045 0.000 0.861 336 R CA 0.703 56.831 56.100 0.047 0.000 0.588 336 R CB -1.924 28.422 30.300 0.077 0.000 1.035 336 R HN 0.633 nan 8.270 nan 0.000 0.488 337 I N -3.734 116.857 120.570 0.035 0.000 4.139 337 I HA 0.182 4.453 4.170 0.169 0.000 0.335 337 I C 0.801 176.993 176.117 0.124 0.000 1.327 337 I CA -0.458 60.850 61.300 0.013 0.000 1.112 337 I CB 0.664 38.643 38.000 -0.034 0.000 1.058 337 I HN 0.275 nan 8.210 nan 0.000 0.396 338 C N 0.000 119.373 119.300 0.121 0.000 2.653 338 C HA 0.000 4.561 4.460 0.169 0.000 0.325 338 C CA 0.000 59.116 59.018 0.164 0.000 1.963 338 C CB 0.000 27.798 27.740 0.096 0.000 2.134 338 C HN 0.000 nan 8.230 nan 0.000 0.568