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 3kcu_1_C DATA FIRST_RESID 29 DATA SEQUENCE KHPLKTFYLA ITAGVFISIA FVFYITATTG TGTMPFGMAK LVGGICFSLG DATA SEQUENCE LILCVVCGAD LFTSTVLIVV AKAXXXXXXX XXAKNWLNVY FGNLVGALLF DATA SEQUENCE VLLMWLSGEY MTANGQWGLN VLQTADHKVH HTFIEAVCLG ILANLMVCLA DATA SEQUENCE VWMSYSGRSL MDKAFIMVLP VAMFVASGFE HSIANMFMIP MGIVIRDFAS DATA SEQUENCE PEFWTAVGSA PENFSHLTVM NFITDNLIPV TIGNIIGGGL LVGLTYWV 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 29 K HA 0.000 nan 4.320 nan 0.000 0.191 29 K C 0.000 176.613 176.600 0.022 0.000 0.988 29 K CA 0.000 56.312 56.287 0.041 0.000 0.838 29 K CB 0.000 32.481 32.500 -0.031 0.000 1.064 30 H N 2.946 122.060 119.070 0.073 0.000 3.034 30 H HA 0.020 4.576 4.556 -0.000 0.000 0.324 30 H C -2.064 173.313 175.328 0.081 0.000 1.015 30 H CA -0.408 55.684 56.048 0.072 0.000 1.429 30 H CB 1.301 31.112 29.762 0.083 0.000 1.429 30 H HN 0.177 nan 8.280 nan 0.000 0.585 31 P HA -0.140 nan 4.420 nan 0.000 0.220 31 P C 1.658 179.035 177.300 0.128 0.000 1.148 31 P CA 0.437 63.609 63.100 0.120 0.000 0.803 31 P CB 0.293 32.030 31.700 0.061 0.000 0.782 32 L N 0.263 121.564 121.223 0.129 0.000 2.056 32 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 32 L C 2.334 179.284 176.870 0.135 0.000 1.078 32 L CA 1.899 56.773 54.840 0.058 0.000 0.749 32 L CB -1.074 41.022 42.059 0.061 0.000 0.901 32 L HN -0.185 nan 8.230 nan 0.000 0.433 33 K N -1.308 119.237 120.400 0.242 0.000 1.991 33 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 33 K C 1.958 178.698 176.600 0.235 0.000 1.049 33 K CA 2.217 58.668 56.287 0.275 0.000 0.932 33 K CB -0.398 32.249 32.500 0.246 0.000 0.717 33 K HN 0.313 nan 8.250 nan 0.000 0.441 34 T N 0.881 115.559 114.554 0.206 0.000 2.665 34 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 34 T C 1.418 176.237 174.700 0.198 0.000 1.035 34 T CA 1.664 63.878 62.100 0.191 0.000 1.151 34 T CB -0.423 68.560 68.868 0.191 0.000 0.862 34 T HN 0.319 nan 8.240 nan 0.000 0.438 35 F N 0.719 120.682 119.950 0.022 0.000 2.126 35 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 35 F C 1.903 177.683 175.800 -0.032 0.000 1.096 35 F CA 1.108 59.083 58.000 -0.041 0.000 1.255 35 F CB -0.498 38.404 39.000 -0.163 0.000 0.997 35 F HN 0.183 nan 8.300 nan 0.000 0.479 36 Y N 0.076 120.402 120.300 0.043 0.000 2.242 36 Y HA -0.115 4.435 4.550 -0.000 0.000 0.291 36 Y C 2.304 178.132 175.900 -0.121 0.000 1.137 36 Y CA 1.219 59.270 58.100 -0.081 0.000 1.181 36 Y CB -0.895 37.573 38.460 0.013 0.000 0.989 36 Y HN 0.053 nan 8.280 nan 0.000 0.527 37 L N -1.312 119.973 121.223 0.104 0.000 2.291 37 L HA -0.106 4.234 4.340 -0.000 0.000 0.214 37 L C 2.446 179.295 176.870 -0.035 0.000 1.120 37 L CA 0.832 55.688 54.840 0.028 0.000 0.799 37 L CB -0.527 41.581 42.059 0.081 0.000 0.925 37 L HN 0.170 nan 8.230 nan 0.000 0.446 38 A N 0.161 122.957 122.820 -0.041 0.000 1.903 38 A HA -0.042 4.278 4.320 -0.000 0.000 0.213 38 A C 2.180 179.673 177.584 -0.152 0.000 1.185 38 A CA 0.718 52.723 52.037 -0.052 0.000 0.628 38 A CB -0.365 18.643 19.000 0.014 0.000 0.830 38 A HN 0.257 nan 8.150 nan 0.000 0.446 39 I N -0.026 120.388 120.570 -0.260 0.000 2.208 39 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 39 I C 2.547 178.525 176.117 -0.232 0.000 1.097 39 I CA 1.833 62.980 61.300 -0.255 0.000 1.363 39 I CB -0.647 37.183 38.000 -0.284 0.000 1.051 39 I HN 0.254 nan 8.210 nan 0.000 0.413 40 T N 0.774 115.164 114.554 -0.273 0.000 2.720 40 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 40 T C 2.024 176.288 174.700 -0.725 0.000 1.037 40 T CA 1.527 63.318 62.100 -0.514 0.000 1.144 40 T CB -0.322 68.250 68.868 -0.493 0.000 0.864 40 T HN 0.506 nan 8.240 nan 0.000 0.444 41 A N 1.236 123.828 122.820 -0.380 0.000 1.972 41 A HA 0.133 4.453 4.320 -0.000 0.000 0.219 41 A C 2.604 180.121 177.584 -0.110 0.000 1.169 41 A CA 1.786 53.720 52.037 -0.172 0.000 0.635 41 A CB -1.258 17.738 19.000 -0.007 0.000 0.810 41 A HN 0.518 nan 8.150 nan 0.000 0.446 42 G N -0.564 108.158 108.800 -0.130 0.000 2.402 42 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 42 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 42 G C 1.495 176.326 174.900 -0.114 0.000 1.162 42 G CA 1.175 46.230 45.100 -0.073 0.000 0.777 42 G HN 0.303 nan 8.290 nan 0.000 0.539 43 V N 0.617 120.410 119.914 -0.202 0.000 2.343 43 V HA -0.115 4.005 4.120 -0.000 0.000 0.247 43 V C 2.553 178.433 176.094 -0.357 0.000 1.051 43 V CA 1.332 63.454 62.300 -0.296 0.000 1.036 43 V CB -0.596 31.095 31.823 -0.221 0.000 0.654 43 V HN 0.251 nan 8.190 nan 0.000 0.451 44 F N -0.686 119.084 119.950 -0.300 0.000 2.134 44 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 44 F C 2.153 177.737 175.800 -0.359 0.000 1.097 44 F CA 1.011 58.830 58.000 -0.301 0.000 1.264 44 F CB -0.931 37.958 39.000 -0.184 0.000 1.001 44 F HN 0.129 nan 8.300 nan 0.000 0.479 45 I N -0.605 119.910 120.570 -0.091 0.000 2.546 45 I HA -0.191 3.979 4.170 -0.000 0.000 0.255 45 I C 2.279 178.227 176.117 -0.281 0.000 1.163 45 I CA 1.032 62.216 61.300 -0.194 0.000 1.457 45 I CB -0.543 37.450 38.000 -0.010 0.000 1.092 45 I HN -0.088 nan 8.210 nan 0.000 0.434 46 S N 0.215 115.694 115.700 -0.368 0.000 2.371 46 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 46 S C 2.057 176.186 174.600 -0.785 0.000 1.029 46 S CA 1.226 59.004 58.200 -0.703 0.000 0.978 46 S CB -0.332 62.429 63.200 -0.732 0.000 0.833 46 S HN 0.390 nan 8.310 nan 0.000 0.466 47 I N 1.984 122.077 120.570 -0.795 0.000 2.151 47 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 47 I C 2.730 178.701 176.117 -0.243 0.000 1.080 47 I CA 1.280 62.300 61.300 -0.466 0.000 1.339 47 I CB -0.515 37.264 38.000 -0.367 0.000 1.039 47 I HN 0.281 nan 8.210 nan 0.000 0.409 48 A N 0.400 122.991 122.820 -0.381 0.000 1.892 48 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 48 A C 2.190 179.589 177.584 -0.308 0.000 1.188 48 A CA 1.768 53.477 52.037 -0.545 0.000 0.631 48 A CB -0.985 17.228 19.000 -1.312 0.000 0.822 48 A HN 0.376 nan 8.150 nan 0.000 0.447 49 F N -0.030 119.747 119.950 -0.289 0.000 2.259 49 F HA -0.067 4.460 4.527 -0.000 0.000 0.298 49 F C 2.471 178.409 175.800 0.230 0.000 1.088 49 F CA 0.741 58.829 58.000 0.146 0.000 1.358 49 F CB -0.491 38.659 39.000 0.251 0.000 1.040 49 F HN 0.026 nan 8.300 nan 0.000 0.505 50 V N -0.564 119.527 119.914 0.295 0.000 2.343 50 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 50 V C 2.334 178.748 176.094 0.533 0.000 1.051 50 V CA 1.623 64.202 62.300 0.465 0.000 1.036 50 V CB -0.824 31.254 31.823 0.426 0.000 0.654 50 V HN 0.229 nan 8.190 nan 0.000 0.451 51 F N 0.173 120.255 119.950 0.220 0.000 2.102 51 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 51 F C 2.410 178.334 175.800 0.206 0.000 1.105 51 F CA 1.694 59.797 58.000 0.172 0.000 1.239 51 F CB -1.108 37.929 39.000 0.062 0.000 0.991 51 F HN 0.320 nan 8.300 nan 0.000 0.474 52 Y N 0.588 121.057 120.300 0.283 0.000 2.081 52 Y HA -0.294 4.256 4.550 -0.000 0.000 0.280 52 Y C 2.390 178.371 175.900 0.134 0.000 1.163 52 Y CA 2.261 60.468 58.100 0.179 0.000 1.135 52 Y CB -0.545 38.139 38.460 0.375 0.000 0.970 52 Y HN -0.008 nan 8.280 nan 0.000 0.498 53 I N -0.165 120.556 120.570 0.252 0.000 2.179 53 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 53 I C 2.322 178.319 176.117 -0.199 0.000 1.088 53 I CA 1.968 63.178 61.300 -0.149 0.000 1.357 53 I CB -1.706 36.008 38.000 -0.476 0.000 1.051 53 I HN 0.304 nan 8.210 nan 0.000 0.409 54 T N 1.414 116.078 114.554 0.184 0.000 2.652 54 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 54 T C 2.010 176.805 174.700 0.158 0.000 1.039 54 T CA 1.899 64.231 62.100 0.385 0.000 1.153 54 T CB -0.339 68.857 68.868 0.547 0.000 0.863 54 T HN 0.470 nan 8.240 nan 0.000 0.428 55 A N 1.348 124.214 122.820 0.076 0.000 1.972 55 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 55 A C 2.394 179.889 177.584 -0.149 0.000 1.169 55 A CA 2.109 54.115 52.037 -0.051 0.000 0.635 55 A CB -0.877 18.012 19.000 -0.185 0.000 0.810 55 A HN 0.638 nan 8.150 nan 0.000 0.446 56 T N -3.596 110.796 114.554 -0.270 0.000 3.122 56 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 56 T C 0.491 175.074 174.700 -0.195 0.000 1.067 56 T CA 0.416 62.329 62.100 -0.311 0.000 0.966 56 T CB -0.417 68.113 68.868 -0.564 0.000 1.002 56 T HN 0.150 nan 8.240 nan 0.000 0.542 57 T N 2.477 116.960 114.554 -0.117 0.000 2.870 57 T HA 0.465 4.815 4.350 -0.000 0.000 0.300 57 T C 1.349 176.041 174.700 -0.014 0.000 0.989 57 T CA 0.661 62.732 62.100 -0.049 0.000 1.139 57 T CB 0.387 69.285 68.868 0.051 0.000 0.920 57 T HN 0.699 nan 8.240 nan 0.000 0.537 58 G N 2.921 111.716 108.800 -0.009 0.000 2.160 58 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 58 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 58 G C 0.598 175.488 174.900 -0.017 0.000 1.008 58 G CA 0.397 45.497 45.100 -0.000 0.000 0.724 58 G HN 1.018 nan 8.290 nan 0.000 0.514 59 T N -2.799 111.730 114.554 -0.042 0.000 3.243 59 T HA 0.506 4.856 4.350 -0.000 0.000 0.264 59 T C 1.946 176.623 174.700 -0.039 0.000 1.000 59 T CA 0.949 63.016 62.100 -0.054 0.000 0.901 59 T CB 0.901 69.707 68.868 -0.104 0.000 1.083 59 T HN 0.989 nan 8.240 nan 0.000 0.559 60 G N 1.974 110.767 108.800 -0.011 0.000 2.509 60 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.218 60 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.218 60 G C 1.582 176.497 174.900 0.025 0.000 1.124 60 G CA 1.217 46.327 45.100 0.015 0.000 0.776 60 G HN 0.665 nan 8.290 nan 0.000 0.547 61 T N -2.610 111.952 114.554 0.013 0.000 3.031 61 T HA 0.265 4.615 4.350 -0.000 0.000 0.254 61 T C 1.405 176.114 174.700 0.015 0.000 1.060 61 T CA -0.118 61.991 62.100 0.016 0.000 1.135 61 T CB -0.017 68.857 68.868 0.010 0.000 0.896 61 T HN 0.148 nan 8.240 nan 0.000 0.472 62 M N 2.651 122.253 119.600 0.003 0.000 2.245 62 M HA 0.299 4.779 4.480 -0.000 0.000 0.330 62 M C -2.372 173.937 176.300 0.015 0.000 1.098 62 M CA -1.852 53.447 55.300 -0.003 0.000 1.172 62 M CB 0.567 33.150 32.600 -0.028 0.000 1.467 62 M HN -0.052 nan 8.290 nan 0.000 0.454 63 P HA 0.001 nan 4.420 nan 0.000 0.267 63 P C -0.200 177.146 177.300 0.076 0.000 1.205 63 P CA 0.125 63.259 63.100 0.058 0.000 0.765 63 P CB 0.190 31.915 31.700 0.042 0.000 0.828 64 F N 3.845 123.784 119.950 -0.018 0.000 2.045 64 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 64 F C 2.225 178.009 175.800 -0.028 0.000 1.114 64 F CA 2.728 60.715 58.000 -0.021 0.000 1.207 64 F CB -0.868 38.124 39.000 -0.014 0.000 0.964 64 F HN 0.406 nan 8.300 nan 0.000 0.486 65 G N -0.683 108.265 108.800 0.247 0.000 2.443 65 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 65 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 65 G C 1.442 176.323 174.900 -0.032 0.000 1.131 65 G CA 0.936 46.110 45.100 0.123 0.000 0.775 65 G HN 0.391 nan 8.290 nan 0.000 0.547 66 M N 1.034 120.614 119.600 -0.033 0.000 2.123 66 M HA 0.296 4.776 4.480 -0.000 0.000 0.263 66 M C 2.785 179.019 176.300 -0.109 0.000 1.069 66 M CA 1.356 56.621 55.300 -0.057 0.000 1.133 66 M CB -0.360 32.220 32.600 -0.033 0.000 1.356 66 M HN 0.221 nan 8.290 nan 0.000 0.415 67 A N -0.506 122.226 122.820 -0.148 0.000 1.877 67 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 67 A C 2.106 179.537 177.584 -0.256 0.000 1.186 67 A CA 1.813 53.730 52.037 -0.200 0.000 0.620 67 A CB -0.573 18.294 19.000 -0.221 0.000 0.822 67 A HN 0.336 nan 8.150 nan 0.000 0.443 68 K N -0.561 119.654 120.400 -0.309 0.000 2.057 68 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 68 K C 1.821 178.331 176.600 -0.151 0.000 1.049 68 K CA 1.217 57.350 56.287 -0.256 0.000 0.931 68 K CB -0.746 31.540 32.500 -0.358 0.000 0.714 68 K HN 0.457 nan 8.250 nan 0.000 0.440 69 L N 0.071 121.209 121.223 -0.141 0.000 2.017 69 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 69 L C 1.806 178.607 176.870 -0.115 0.000 1.073 69 L CA 1.536 56.309 54.840 -0.113 0.000 0.745 69 L CB -0.509 41.500 42.059 -0.083 0.000 0.894 69 L HN -0.051 nan 8.230 nan 0.000 0.432 70 V N 0.479 120.315 119.914 -0.129 0.000 2.295 70 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 70 V C 2.684 178.666 176.094 -0.187 0.000 1.049 70 V CA 1.822 64.035 62.300 -0.145 0.000 1.024 70 V CB -1.736 30.003 31.823 -0.140 0.000 0.648 70 V HN 0.655 nan 8.190 nan 0.000 0.447 71 G N 0.134 108.811 108.800 -0.205 0.000 2.476 71 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 71 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 71 G C 1.634 176.574 174.900 0.065 0.000 1.164 71 G CA 1.085 46.074 45.100 -0.186 0.000 0.768 71 G HN 0.598 nan 8.290 nan 0.000 0.560 72 G N 0.818 109.621 108.800 0.005 0.000 2.418 72 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 72 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 72 G C 1.787 176.635 174.900 -0.088 0.000 1.158 72 G CA 0.758 45.793 45.100 -0.110 0.000 0.771 72 G HN 0.449 nan 8.290 nan 0.000 0.545 73 I N 0.372 120.881 120.570 -0.102 0.000 2.226 73 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 73 I C 2.769 178.808 176.117 -0.131 0.000 1.100 73 I CA 0.711 61.959 61.300 -0.086 0.000 1.374 73 I CB -0.237 37.714 38.000 -0.082 0.000 1.057 73 I HN 0.200 nan 8.210 nan 0.000 0.413 74 C N 0.001 119.125 119.300 -0.294 0.000 2.440 74 C HA -0.197 4.263 4.460 -0.000 0.000 0.278 74 C C 2.698 177.534 174.990 -0.257 0.000 1.295 74 C CA 0.380 58.984 59.018 -0.690 0.000 1.738 74 C CB -1.132 25.753 27.740 -1.425 0.000 1.987 74 C HN 0.517 nan 8.230 nan 0.000 0.492 75 F N 2.753 122.571 119.950 -0.219 0.000 2.202 75 F HA -0.196 4.331 4.527 -0.000 0.000 0.301 75 F C 2.610 178.331 175.800 -0.132 0.000 1.082 75 F CA 1.779 59.687 58.000 -0.152 0.000 1.313 75 F CB -0.178 38.642 39.000 -0.299 0.000 1.024 75 F HN 0.304 nan 8.300 nan 0.000 0.495 76 S N 0.486 116.234 115.700 0.080 0.000 2.440 76 S HA -0.246 4.224 4.470 -0.000 0.000 0.238 76 S C 2.174 176.735 174.600 -0.065 0.000 1.010 76 S CA 1.148 59.368 58.200 0.033 0.000 0.972 76 S CB -1.131 62.079 63.200 0.017 0.000 0.774 76 S HN 0.583 nan 8.310 nan 0.000 0.501 77 L N 1.486 122.678 121.223 -0.050 0.000 2.054 77 L HA -0.205 4.135 4.340 -0.000 0.000 0.220 77 L C 2.681 179.421 176.870 -0.218 0.000 1.081 77 L CA 2.112 56.900 54.840 -0.087 0.000 0.780 77 L CB -1.450 40.639 42.059 0.051 0.000 0.893 77 L HN 0.572 nan 8.230 nan 0.000 0.438 78 G N -0.513 108.114 108.800 -0.288 0.000 2.446 78 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 78 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 78 G C 1.453 176.233 174.900 -0.199 0.000 1.168 78 G CA 0.819 45.728 45.100 -0.319 0.000 0.771 78 G HN 0.321 nan 8.290 nan 0.000 0.551 79 L N 0.615 121.761 121.223 -0.128 0.000 2.141 79 L HA 0.190 4.530 4.340 -0.000 0.000 0.209 79 L C 2.678 179.496 176.870 -0.087 0.000 1.094 79 L CA 1.012 55.824 54.840 -0.046 0.000 0.763 79 L CB -0.348 41.728 42.059 0.029 0.000 0.908 79 L HN 0.257 nan 8.230 nan 0.000 0.437 80 I N -1.786 118.692 120.570 -0.153 0.000 2.202 80 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 80 I C 2.184 178.152 176.117 -0.249 0.000 1.091 80 I CA 0.537 61.716 61.300 -0.202 0.000 1.368 80 I CB -0.311 37.531 38.000 -0.264 0.000 1.058 80 I HN 0.201 nan 8.210 nan 0.000 0.410 81 L N 0.442 121.438 121.223 -0.379 0.000 1.990 81 L HA -0.300 4.040 4.340 -0.000 0.000 0.213 81 L C 2.688 179.314 176.870 -0.408 0.000 1.072 81 L CA 1.875 56.300 54.840 -0.691 0.000 0.755 81 L CB -1.247 40.022 42.059 -1.317 0.000 0.889 81 L HN 0.384 nan 8.230 nan 0.000 0.432 82 C N -1.926 117.319 119.300 -0.092 0.000 2.413 82 C HA -0.140 4.320 4.460 -0.000 0.000 0.276 82 C C 2.800 177.864 174.990 0.122 0.000 1.236 82 C CA 0.758 59.897 59.018 0.202 0.000 1.735 82 C CB -0.734 27.113 27.740 0.178 0.000 2.031 82 C HN 0.396 nan 8.230 nan 0.000 0.474 83 V N 0.426 120.368 119.914 0.047 0.000 2.283 83 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 83 V C 2.418 178.510 176.094 -0.004 0.000 1.039 83 V CA 1.981 64.314 62.300 0.055 0.000 1.016 83 V CB -0.709 31.139 31.823 0.041 0.000 0.650 83 V HN 0.432 nan 8.190 nan 0.000 0.449 84 V N -0.870 119.007 119.914 -0.061 0.000 2.343 84 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 84 V C 2.303 178.381 176.094 -0.027 0.000 1.051 84 V CA 2.247 64.502 62.300 -0.075 0.000 1.036 84 V CB -0.692 31.059 31.823 -0.119 0.000 0.654 84 V HN 0.660 nan 8.190 nan 0.000 0.451 85 C N 0.075 119.384 119.300 0.015 0.000 2.594 85 C HA 0.479 4.939 4.460 -0.000 0.000 0.265 85 C C 1.829 176.895 174.990 0.127 0.000 1.351 85 C CA 0.146 59.221 59.018 0.094 0.000 1.744 85 C CB -0.856 27.009 27.740 0.208 0.000 1.890 85 C HN 0.855 nan 8.230 nan 0.000 0.551 86 G N 0.914 109.788 108.800 0.123 0.000 2.171 86 G HA2 0.046 4.006 3.960 -0.000 0.000 0.238 86 G HA3 0.046 4.006 3.960 -0.000 0.000 0.238 86 G C 0.026 175.009 174.900 0.138 0.000 1.039 86 G CA 0.197 45.371 45.100 0.122 0.000 0.759 86 G HN 0.874 nan 8.290 nan 0.000 0.501 87 A N -0.551 122.374 122.820 0.175 0.000 2.287 87 A HA 0.644 4.964 4.320 -0.000 0.000 0.273 87 A C 0.191 177.846 177.584 0.118 0.000 1.091 87 A CA 0.046 52.156 52.037 0.122 0.000 0.817 87 A CB 0.748 19.818 19.000 0.116 0.000 1.069 87 A HN 0.326 nan 8.150 nan 0.000 0.492 88 D N 1.068 121.519 120.400 0.086 0.000 2.472 88 D HA 0.394 5.034 4.640 -0.000 0.000 0.234 88 D C -1.467 174.896 176.300 0.105 0.000 1.088 88 D CA -0.192 53.872 54.000 0.107 0.000 0.882 88 D CB 0.743 41.617 40.800 0.122 0.000 1.037 88 D HN 0.271 nan 8.370 nan 0.000 0.520 89 L N 5.409 126.699 121.223 0.112 0.000 2.264 89 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 89 L C -0.383 176.567 176.870 0.135 0.000 1.044 89 L CA -0.694 54.227 54.840 0.134 0.000 0.807 89 L CB 0.621 42.758 42.059 0.129 0.000 1.192 89 L HN 0.234 nan 8.230 nan 0.000 0.425 90 F N 6.207 126.160 119.950 0.004 0.000 2.306 90 F HA -0.004 4.523 4.527 -0.000 0.000 0.412 90 F C 1.489 177.170 175.800 -0.199 0.000 0.951 90 F CA 1.444 59.385 58.000 -0.098 0.000 1.022 90 F CB -0.280 38.684 39.000 -0.059 0.000 0.852 90 F HN 0.947 nan 8.300 nan 0.000 0.511 91 T N 0.148 114.213 114.554 -0.815 0.000 6.974 91 T HA -0.349 4.001 4.350 -0.000 0.000 0.287 91 T C 1.397 175.913 174.700 -0.306 0.000 2.146 91 T CA 1.559 63.188 62.100 -0.785 0.000 3.451 91 T CB -2.522 65.615 68.868 -1.218 0.000 1.630 91 T HN 1.294 nan 8.240 nan 0.000 1.173 92 S N 1.297 116.908 115.700 -0.149 0.000 2.419 92 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 92 S C 1.810 176.385 174.600 -0.041 0.000 1.019 92 S CA 1.677 59.849 58.200 -0.048 0.000 0.982 92 S CB -0.999 62.215 63.200 0.024 0.000 0.789 92 S HN 1.553 nan 8.310 nan 0.000 0.490 93 T N -1.776 112.751 114.554 -0.044 0.000 3.176 93 T HA 0.369 4.719 4.350 -0.000 0.000 0.263 93 T C 1.224 175.900 174.700 -0.041 0.000 1.021 93 T CA 0.202 62.265 62.100 -0.062 0.000 0.905 93 T CB 0.269 69.106 68.868 -0.051 0.000 1.057 93 T HN 0.159 nan 8.240 nan 0.000 0.558 94 V N 1.502 121.402 119.914 -0.023 0.000 2.469 94 V HA -0.075 4.045 4.120 -0.000 0.000 0.251 94 V C 2.157 178.232 176.094 -0.032 0.000 1.064 94 V CA 1.685 63.998 62.300 0.021 0.000 1.066 94 V CB -0.552 31.302 31.823 0.052 0.000 0.667 94 V HN 0.665 nan 8.190 nan 0.000 0.461 95 L N -0.639 120.544 121.223 -0.066 0.000 2.156 95 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 95 L C 2.392 179.276 176.870 0.024 0.000 1.095 95 L CA 0.820 55.581 54.840 -0.131 0.000 0.770 95 L CB -0.511 41.407 42.059 -0.236 0.000 0.914 95 L HN 0.292 nan 8.230 nan 0.000 0.439 96 I N -0.478 120.118 120.570 0.044 0.000 2.252 96 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 96 I C 2.576 178.712 176.117 0.031 0.000 1.102 96 I CA 1.221 62.526 61.300 0.010 0.000 1.385 96 I CB -1.218 36.579 38.000 -0.338 0.000 1.064 96 I HN 0.039 nan 8.210 nan 0.000 0.414 97 V N 0.463 120.382 119.914 0.007 0.000 2.343 97 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 97 V C 2.699 178.801 176.094 0.013 0.000 1.051 97 V CA 1.213 63.528 62.300 0.026 0.000 1.036 97 V CB -0.659 31.190 31.823 0.043 0.000 0.654 97 V HN 0.194 nan 8.190 nan 0.000 0.451 98 V N 0.291 120.181 119.914 -0.039 0.000 2.358 98 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 98 V C 2.744 178.796 176.094 -0.069 0.000 1.047 98 V CA 1.900 64.132 62.300 -0.115 0.000 1.035 98 V CB -1.029 30.600 31.823 -0.322 0.000 0.658 98 V HN 0.548 nan 8.190 nan 0.000 0.452 99 A N -0.261 122.556 122.820 -0.005 0.000 1.940 99 A HA -0.207 4.112 4.320 -0.000 0.000 0.219 99 A C 1.708 179.351 177.584 0.099 0.000 1.176 99 A CA 1.433 53.531 52.037 0.103 0.000 0.631 99 A CB -0.370 18.844 19.000 0.356 0.000 0.814 99 A HN 0.568 nan 8.150 nan 0.000 0.446 100 K N 0.165 120.617 120.400 0.086 0.000 3.001 100 K HA 0.530 4.850 4.320 -0.000 0.000 0.257 100 K C -0.355 176.281 176.600 0.060 0.000 1.290 100 K CA 0.326 56.658 56.287 0.076 0.000 1.252 100 K CB -0.229 32.318 32.500 0.078 0.000 1.656 100 K HN 0.488 nan 8.250 nan 0.000 0.351 112 K N -0.178 120.137 120.400 -0.141 0.000 2.522 112 K HA 0.016 4.336 4.320 -0.000 0.000 0.194 112 K C 0.764 177.416 176.600 0.087 0.000 1.026 112 K CA 0.336 56.598 56.287 -0.043 0.000 1.119 112 K CB -0.015 32.478 32.500 -0.011 0.000 0.856 112 K HN 0.326 nan 8.250 nan 0.000 0.513 113 N N 1.106 119.862 118.700 0.093 0.000 2.272 113 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 113 N C 0.920 176.681 175.510 0.418 0.000 1.014 113 N CA 1.044 54.225 53.050 0.218 0.000 0.870 113 N CB -0.120 38.487 38.487 0.201 0.000 0.975 113 N HN 0.274 nan 8.380 nan 0.000 0.433 114 W N 0.710 122.126 121.300 0.192 0.000 2.318 114 W HA -0.141 4.519 4.660 -0.000 0.000 0.313 114 W C 2.078 178.821 176.519 0.374 0.000 1.221 114 W CA 0.483 58.021 57.345 0.322 0.000 1.266 114 W CB -1.374 28.274 29.460 0.313 0.000 1.150 114 W HN 0.182 nan 8.180 nan 0.000 0.496 115 L N 1.296 122.824 121.223 0.509 0.000 2.043 115 L HA -0.283 4.057 4.340 -0.000 0.000 0.212 115 L C 2.096 179.256 176.870 0.484 0.000 1.075 115 L CA 2.459 57.562 54.840 0.439 0.000 0.752 115 L CB -1.439 40.790 42.059 0.284 0.000 0.891 115 L HN -0.044 nan 8.230 nan 0.000 0.432 116 N N -0.687 118.243 118.700 0.385 0.000 2.058 116 N HA -0.163 4.577 4.740 -0.000 0.000 0.191 116 N C 1.778 177.558 175.510 0.451 0.000 1.037 116 N CA 1.986 55.263 53.050 0.377 0.000 0.848 116 N CB -0.352 38.307 38.487 0.286 0.000 1.021 116 N HN 0.271 nan 8.380 nan 0.000 0.422 117 V N 0.119 120.279 119.914 0.410 0.000 2.358 117 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 117 V C 1.986 178.252 176.094 0.287 0.000 1.047 117 V CA 1.643 64.145 62.300 0.337 0.000 1.035 117 V CB -0.875 31.158 31.823 0.351 0.000 0.658 117 V HN 0.339 nan 8.190 nan 0.000 0.452 118 Y N 0.147 120.544 120.300 0.162 0.000 2.128 118 Y HA -0.273 4.277 4.550 -0.000 0.000 0.284 118 Y C 2.154 177.938 175.900 -0.193 0.000 1.154 118 Y CA 1.995 59.966 58.100 -0.215 0.000 1.149 118 Y CB -0.341 37.827 38.460 -0.486 0.000 0.976 118 Y HN 0.233 nan 8.280 nan 0.000 0.505 119 F N -0.711 119.359 119.950 0.199 0.000 2.367 119 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 119 F C 2.494 178.378 175.800 0.140 0.000 1.094 119 F CA 1.062 59.160 58.000 0.164 0.000 1.409 119 F CB -0.830 38.318 39.000 0.246 0.000 1.064 119 F HN 0.080 nan 8.300 nan 0.000 0.528 120 G N -0.073 108.890 108.800 0.272 0.000 2.418 120 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 120 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 120 G C 1.469 176.278 174.900 -0.152 0.000 1.158 120 G CA 1.040 46.034 45.100 -0.175 0.000 0.771 120 G HN 0.352 nan 8.290 nan 0.000 0.545 121 N N -0.073 118.573 118.700 -0.090 0.000 2.036 121 N HA -0.154 4.586 4.740 -0.000 0.000 0.195 121 N C 2.103 177.540 175.510 -0.122 0.000 1.037 121 N CA 1.138 54.119 53.050 -0.115 0.000 0.855 121 N CB -0.198 38.203 38.487 -0.143 0.000 1.033 121 N HN 0.220 nan 8.380 nan 0.000 0.423 122 L N 1.352 122.461 121.223 -0.191 0.000 2.013 122 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 122 L C 2.047 178.923 176.870 0.009 0.000 1.073 122 L CA 1.432 56.197 54.840 -0.125 0.000 0.753 122 L CB -0.565 41.374 42.059 -0.199 0.000 0.890 122 L HN -0.003 nan 8.230 nan 0.000 0.432 123 V N -0.004 119.931 119.914 0.035 0.000 2.343 123 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 123 V C 2.567 178.684 176.094 0.038 0.000 1.051 123 V CA 1.870 64.206 62.300 0.060 0.000 1.036 123 V CB -1.495 30.359 31.823 0.052 0.000 0.654 123 V HN 0.658 nan 8.190 nan 0.000 0.451 124 G N -0.748 108.044 108.800 -0.014 0.000 2.402 124 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 124 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 124 G C 1.784 176.745 174.900 0.102 0.000 1.162 124 G CA 0.940 46.043 45.100 0.006 0.000 0.777 124 G HN 0.596 nan 8.290 nan 0.000 0.539 125 A N 0.723 123.607 122.820 0.106 0.000 1.883 125 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 125 A C 2.435 180.195 177.584 0.293 0.000 1.186 125 A CA 1.365 53.542 52.037 0.233 0.000 0.624 125 A CB -0.458 18.662 19.000 0.201 0.000 0.822 125 A HN 0.350 nan 8.150 nan 0.000 0.444 126 L N -0.753 120.573 121.223 0.172 0.000 2.093 126 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 126 L C 2.559 179.519 176.870 0.151 0.000 1.085 126 L CA 0.876 55.795 54.840 0.133 0.000 0.755 126 L CB -0.580 41.535 42.059 0.093 0.000 0.904 126 L HN 0.376 nan 8.230 nan 0.000 0.435 127 L N -1.308 120.009 121.223 0.157 0.000 2.042 127 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 127 L C 2.513 179.504 176.870 0.202 0.000 1.076 127 L CA 1.431 56.360 54.840 0.148 0.000 0.749 127 L CB -0.496 41.642 42.059 0.132 0.000 0.893 127 L HN 0.153 nan 8.230 nan 0.000 0.432 128 F N -0.491 119.549 119.950 0.150 0.000 2.259 128 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 128 F C 2.239 178.252 175.800 0.354 0.000 1.088 128 F CA 0.882 59.009 58.000 0.213 0.000 1.358 128 F CB -0.066 39.042 39.000 0.180 0.000 1.040 128 F HN -0.271 nan 8.300 nan 0.000 0.505 129 V N 0.070 120.257 119.914 0.455 0.000 2.287 129 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 129 V C 2.344 178.517 176.094 0.131 0.000 1.053 129 V CA 1.848 64.275 62.300 0.212 0.000 1.027 129 V CB -0.758 31.048 31.823 -0.028 0.000 0.646 129 V HN 0.344 nan 8.190 nan 0.000 0.447 130 L N -0.302 120.977 121.223 0.093 0.000 1.994 130 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 130 L C 2.212 179.106 176.870 0.039 0.000 1.071 130 L CA 2.015 56.896 54.840 0.068 0.000 0.745 130 L CB -0.842 41.241 42.059 0.040 0.000 0.892 130 L HN 0.298 nan 8.230 nan 0.000 0.431 131 L N -0.893 120.298 121.223 -0.053 0.000 2.042 131 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 131 L C 2.327 179.078 176.870 -0.198 0.000 1.076 131 L CA 1.956 56.691 54.840 -0.176 0.000 0.749 131 L CB -0.644 41.213 42.059 -0.337 0.000 0.893 131 L HN 0.284 nan 8.230 nan 0.000 0.432 132 M N -1.579 117.923 119.600 -0.163 0.000 2.175 132 M HA -0.254 4.226 4.480 -0.000 0.000 0.264 132 M C 2.166 178.460 176.300 -0.009 0.000 1.063 132 M CA 1.492 56.750 55.300 -0.070 0.000 1.119 132 M CB -1.720 31.001 32.600 0.202 0.000 1.377 132 M HN 0.611 nan 8.290 nan 0.000 0.415 133 W N 1.114 122.346 121.300 -0.113 0.000 2.355 133 W HA -0.195 4.465 4.660 -0.000 0.000 0.309 133 W C 1.720 178.152 176.519 -0.146 0.000 1.206 133 W CA 1.082 58.334 57.345 -0.156 0.000 1.284 133 W CB -0.319 29.027 29.460 -0.190 0.000 1.145 133 W HN 0.147 nan 8.180 nan 0.000 0.502 134 L N 1.558 122.632 121.223 -0.247 0.000 2.275 134 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 134 L C 2.791 179.470 176.870 -0.318 0.000 1.119 134 L CA 1.545 56.194 54.840 -0.317 0.000 0.790 134 L CB -0.872 41.102 42.059 -0.142 0.000 0.919 134 L HN 0.003 nan 8.230 nan 0.000 0.443 135 S N -0.553 114.979 115.700 -0.281 0.000 2.481 135 S HA -0.013 4.457 4.470 -0.000 0.000 0.231 135 S C 1.710 176.141 174.600 -0.281 0.000 0.996 135 S CA 0.666 58.713 58.200 -0.255 0.000 0.942 135 S CB -0.031 63.023 63.200 -0.244 0.000 0.768 135 S HN 0.549 nan 8.310 nan 0.000 0.520 136 G N 1.014 109.605 108.800 -0.348 0.000 2.179 136 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.260 136 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.260 136 G C 0.516 175.280 174.900 -0.226 0.000 0.977 136 G CA 0.684 45.610 45.100 -0.290 0.000 0.641 136 G HN 0.567 nan 8.290 nan 0.000 0.533 137 E N 0.156 120.173 120.200 -0.306 0.000 2.233 137 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 137 E C 1.973 178.320 176.600 -0.422 0.000 1.004 137 E CA 2.337 58.427 56.400 -0.516 0.000 0.819 137 E CB -0.443 28.756 29.700 -0.836 0.000 0.738 137 E HN 1.060 nan 8.360 nan 0.000 0.478 138 Y N -1.283 118.857 120.300 -0.267 0.000 2.403 138 Y HA -0.024 4.526 4.550 -0.000 0.000 0.291 138 Y C 1.442 177.413 175.900 0.118 0.000 1.143 138 Y CA 0.838 58.978 58.100 0.067 0.000 1.257 138 Y CB -0.359 38.101 38.460 -0.001 0.000 0.984 138 Y HN 0.017 nan 8.280 nan 0.000 0.550 139 M N 0.773 120.054 119.600 -0.531 0.000 2.618 139 M HA 0.075 4.555 4.480 -0.000 0.000 0.240 139 M C 0.258 176.477 176.300 -0.136 0.000 1.123 139 M CA 0.270 55.341 55.300 -0.382 0.000 1.060 139 M CB -1.242 31.088 32.600 -0.449 0.000 1.535 139 M HN 0.100 nan 8.290 nan 0.000 0.507 140 T N 1.904 116.402 114.554 -0.093 0.000 2.934 140 T HA 0.245 4.595 4.350 -0.000 0.000 0.306 140 T C 0.858 175.610 174.700 0.087 0.000 1.042 140 T CA 0.796 62.873 62.100 -0.038 0.000 1.145 140 T CB 0.361 69.148 68.868 -0.135 0.000 0.982 140 T HN 0.510 nan 8.240 nan 0.000 0.544 141 A N 4.451 127.301 122.820 0.050 0.000 2.739 141 A HA -0.237 4.083 4.320 -0.000 0.000 0.296 141 A C 1.011 178.617 177.584 0.037 0.000 1.488 141 A CA 1.017 53.089 52.037 0.059 0.000 0.746 141 A CB -2.495 16.568 19.000 0.105 0.000 1.047 141 A HN 1.221 nan 8.150 nan 0.000 0.477 142 N N -2.374 116.327 118.700 0.001 0.000 2.735 142 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 142 N C 1.185 176.677 175.510 -0.029 0.000 1.083 142 N CA 1.717 54.754 53.050 -0.023 0.000 0.703 142 N CB -1.040 37.435 38.487 -0.020 0.000 1.005 142 N HN 2.607 nan 8.380 nan 0.000 0.550 143 G N -1.009 107.800 108.800 0.014 0.000 2.199 143 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.254 143 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.254 143 G C 0.663 175.670 174.900 0.179 0.000 0.982 143 G CA 0.540 45.695 45.100 0.092 0.000 0.632 143 G HN 0.467 nan 8.290 nan 0.000 0.529 144 Q N -0.919 118.954 119.800 0.122 0.000 2.170 144 Q HA -0.074 4.266 4.340 -0.000 0.000 0.203 144 Q C 2.010 178.131 176.000 0.202 0.000 0.976 144 Q CA 1.778 57.657 55.803 0.126 0.000 0.858 144 Q CB -0.234 28.552 28.738 0.079 0.000 0.907 144 Q HN 0.830 nan 8.270 nan 0.000 0.433 145 W N 1.152 122.504 121.300 0.086 0.000 2.333 145 W HA -0.180 4.480 4.660 -0.000 0.000 0.316 145 W C 2.275 178.887 176.519 0.155 0.000 1.215 145 W CA 2.261 59.669 57.345 0.105 0.000 1.278 145 W CB -0.668 28.844 29.460 0.088 0.000 1.154 145 W HN 0.228 nan 8.180 nan 0.000 0.486 146 G N 0.394 109.560 108.800 0.611 0.000 2.440 146 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 146 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 146 G C 1.346 176.441 174.900 0.325 0.000 1.154 146 G CA 1.209 46.613 45.100 0.506 0.000 0.767 146 G HN 0.306 nan 8.290 nan 0.000 0.552 147 L N 1.264 122.696 121.223 0.348 0.000 2.046 147 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 147 L C 2.346 179.268 176.870 0.086 0.000 1.077 147 L CA 2.196 57.154 54.840 0.198 0.000 0.747 147 L CB -0.744 41.399 42.059 0.140 0.000 0.896 147 L HN 0.234 nan 8.230 nan 0.000 0.432 148 N N -0.402 118.312 118.700 0.023 0.000 2.069 148 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 148 N C 1.816 177.267 175.510 -0.097 0.000 1.031 148 N CA 2.025 55.038 53.050 -0.061 0.000 0.852 148 N CB -0.428 37.955 38.487 -0.174 0.000 1.018 148 N HN 0.267 nan 8.380 nan 0.000 0.423 149 V N 1.369 121.174 119.914 -0.183 0.000 2.287 149 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 149 V C 2.530 178.551 176.094 -0.121 0.000 1.053 149 V CA 1.461 63.650 62.300 -0.185 0.000 1.027 149 V CB -0.613 31.100 31.823 -0.183 0.000 0.646 149 V HN 0.307 nan 8.190 nan 0.000 0.447 150 L N -0.599 120.550 121.223 -0.124 0.000 1.990 150 L HA -0.302 4.038 4.340 -0.000 0.000 0.213 150 L C 2.722 179.578 176.870 -0.022 0.000 1.072 150 L CA 2.008 56.698 54.840 -0.251 0.000 0.755 150 L CB -0.617 41.040 42.059 -0.670 0.000 0.889 150 L HN 0.385 nan 8.230 nan 0.000 0.432 151 Q N -1.167 118.706 119.800 0.122 0.000 2.123 151 Q HA -0.141 4.199 4.340 -0.000 0.000 0.199 151 Q C 2.182 178.311 176.000 0.216 0.000 0.966 151 Q CA 1.812 57.787 55.803 0.286 0.000 0.845 151 Q CB -0.138 28.755 28.738 0.257 0.000 0.907 151 Q HN 0.480 nan 8.270 nan 0.000 0.439 152 T N 0.916 115.541 114.554 0.118 0.000 2.737 152 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 152 T C 1.945 176.705 174.700 0.100 0.000 1.038 152 T CA 1.221 63.387 62.100 0.109 0.000 1.144 152 T CB -0.286 68.606 68.868 0.039 0.000 0.866 152 T HN 0.383 nan 8.240 nan 0.000 0.434 153 A N 1.470 124.297 122.820 0.013 0.000 1.902 153 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 153 A C 2.105 179.734 177.584 0.075 0.000 1.181 153 A CA 2.123 54.152 52.037 -0.014 0.000 0.623 153 A CB -0.825 18.115 19.000 -0.100 0.000 0.818 153 A HN 0.501 nan 8.150 nan 0.000 0.443 154 D N -1.666 118.839 120.400 0.174 0.000 2.117 154 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 154 D C 1.857 178.312 176.300 0.260 0.000 0.982 154 D CA 1.360 55.516 54.000 0.260 0.000 0.828 154 D CB -0.362 40.736 40.800 0.497 0.000 0.967 154 D HN 0.621 nan 8.370 nan 0.000 0.464 155 H N 0.786 119.972 119.070 0.193 0.000 2.390 155 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 155 H C 1.375 176.689 175.328 -0.023 0.000 1.106 155 H CA 1.394 57.533 56.048 0.152 0.000 1.297 155 H CB 0.209 30.067 29.762 0.159 0.000 1.375 155 H HN 0.146 nan 8.280 nan 0.000 0.509 156 K N 0.739 121.130 120.400 -0.016 0.000 2.504 156 K HA -0.017 4.303 4.320 -0.000 0.000 0.195 156 K C 1.632 178.109 176.600 -0.205 0.000 1.036 156 K CA 0.832 57.070 56.287 -0.083 0.000 0.984 156 K CB 0.353 32.941 32.500 0.147 0.000 0.788 156 K HN 0.275 nan 8.250 nan 0.000 0.488 157 V N -2.739 117.008 119.914 -0.279 0.000 3.214 157 V HA 0.173 4.293 4.120 -0.000 0.000 0.330 157 V C 0.215 175.991 176.094 -0.530 0.000 1.403 157 V CA -0.109 62.005 62.300 -0.309 0.000 1.143 157 V CB -0.522 31.176 31.823 -0.208 0.000 1.098 157 V HN 0.157 nan 8.190 nan 0.000 0.463 158 H N -0.661 118.188 119.070 -0.370 0.000 2.581 158 H HA 0.429 4.985 4.556 -0.000 0.000 0.275 158 H C 0.285 175.449 175.328 -0.273 0.000 1.126 158 H CA -0.414 55.449 56.048 -0.308 0.000 1.097 158 H CB 0.195 29.794 29.762 -0.271 0.000 1.626 158 H HN 0.491 nan 8.280 nan 0.000 0.565 159 H N 0.484 119.540 119.070 -0.023 0.000 2.547 159 H HA 0.121 4.677 4.556 -0.000 0.000 0.362 159 H C 0.947 176.286 175.328 0.018 0.000 1.181 159 H CA 0.162 56.201 56.048 -0.015 0.000 1.376 159 H CB 0.837 30.577 29.762 -0.036 0.000 1.488 159 H HN 0.282 nan 8.280 nan 0.000 0.583 160 T N -1.900 112.756 114.554 0.170 0.000 2.788 160 T HA 0.013 4.363 4.350 -0.000 0.000 0.287 160 T C 1.359 176.157 174.700 0.163 0.000 1.007 160 T CA -0.598 61.589 62.100 0.146 0.000 1.005 160 T CB 0.521 69.460 68.868 0.118 0.000 1.012 160 T HN 0.485 nan 8.240 nan 0.000 0.530 161 F N 0.463 120.436 119.950 0.039 0.000 2.134 161 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 161 F C 2.054 177.861 175.800 0.011 0.000 1.097 161 F CA 1.284 59.299 58.000 0.025 0.000 1.264 161 F CB -0.360 38.648 39.000 0.013 0.000 1.001 161 F HN 0.545 nan 8.300 nan 0.000 0.479 162 I N 0.750 121.440 120.570 0.200 0.000 2.179 162 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 162 I C 2.505 178.596 176.117 -0.044 0.000 1.088 162 I CA 1.829 63.179 61.300 0.083 0.000 1.357 162 I CB -0.701 37.364 38.000 0.108 0.000 1.051 162 I HN 0.288 nan 8.210 nan 0.000 0.409 163 E N 1.833 122.015 120.200 -0.030 0.000 2.106 163 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 163 E C 2.250 178.730 176.600 -0.201 0.000 0.984 163 E CA 1.255 57.600 56.400 -0.092 0.000 0.806 163 E CB -0.411 29.261 29.700 -0.046 0.000 0.750 163 E HN 0.450 nan 8.360 nan 0.000 0.458 164 A N 2.041 124.751 122.820 -0.184 0.000 1.873 164 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 164 A C 2.621 180.053 177.584 -0.254 0.000 1.193 164 A CA 1.902 53.807 52.037 -0.220 0.000 0.629 164 A CB -1.078 17.848 19.000 -0.124 0.000 0.826 164 A HN 0.180 nan 8.150 nan 0.000 0.447 165 V N -0.711 119.006 119.914 -0.330 0.000 2.282 165 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 165 V C 2.680 178.657 176.094 -0.195 0.000 1.057 165 V CA 2.275 64.405 62.300 -0.284 0.000 1.032 165 V CB -1.162 30.498 31.823 -0.272 0.000 0.645 165 V HN 0.729 nan 8.190 nan 0.000 0.447 166 C N -0.570 118.623 119.300 -0.179 0.000 2.435 166 C HA -0.041 4.419 4.460 -0.000 0.000 0.279 166 C C 2.572 177.414 174.990 -0.245 0.000 1.321 166 C CA 0.611 59.522 59.018 -0.178 0.000 1.752 166 C CB -1.131 26.523 27.740 -0.144 0.000 1.959 166 C HN 0.533 nan 8.230 nan 0.000 0.500 167 L N 0.663 121.740 121.223 -0.244 0.000 2.217 167 L HA 0.036 4.376 4.340 -0.000 0.000 0.211 167 L C 2.734 179.497 176.870 -0.179 0.000 1.107 167 L CA 1.418 56.110 54.840 -0.247 0.000 0.783 167 L CB -0.850 41.098 42.059 -0.184 0.000 0.919 167 L HN 0.478 nan 8.230 nan 0.000 0.442 168 G N 0.232 108.938 108.800 -0.157 0.000 2.403 168 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.216 168 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.216 168 G C 1.595 176.406 174.900 -0.148 0.000 1.154 168 G CA 0.351 45.377 45.100 -0.124 0.000 0.784 168 G HN 0.228 nan 8.290 nan 0.000 0.538 169 I N 0.342 120.811 120.570 -0.169 0.000 2.179 169 I HA -0.149 4.021 4.170 -0.000 0.000 0.242 169 I C 2.710 178.704 176.117 -0.206 0.000 1.088 169 I CA 0.809 62.012 61.300 -0.163 0.000 1.357 169 I CB -0.227 37.683 38.000 -0.150 0.000 1.051 169 I HN 0.119 nan 8.210 nan 0.000 0.409 170 L N 0.433 121.459 121.223 -0.327 0.000 2.046 170 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 170 L C 2.821 179.555 176.870 -0.228 0.000 1.077 170 L CA 1.374 55.927 54.840 -0.479 0.000 0.747 170 L CB -0.704 40.593 42.059 -1.270 0.000 0.896 170 L HN 0.249 nan 8.230 nan 0.000 0.432 171 A N -0.037 122.685 122.820 -0.164 0.000 1.873 171 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 171 A C 2.092 179.438 177.584 -0.397 0.000 1.186 171 A CA 2.119 54.010 52.037 -0.245 0.000 0.616 171 A CB -0.601 18.267 19.000 -0.220 0.000 0.823 171 A HN 0.414 nan 8.150 nan 0.000 0.442 172 N N -0.276 118.294 118.700 -0.217 0.000 2.354 172 N HA 0.030 4.770 4.740 -0.000 0.000 0.179 172 N C 1.535 176.970 175.510 -0.125 0.000 1.021 172 N CA 0.690 53.647 53.050 -0.155 0.000 0.887 172 N CB -0.375 38.041 38.487 -0.118 0.000 0.974 172 N HN 0.472 nan 8.380 nan 0.000 0.437 173 L N -0.211 120.947 121.223 -0.109 0.000 2.013 173 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 173 L C 2.069 178.922 176.870 -0.028 0.000 1.073 173 L CA 1.017 55.817 54.840 -0.066 0.000 0.753 173 L CB -0.384 41.639 42.059 -0.059 0.000 0.890 173 L HN 0.239 nan 8.230 nan 0.000 0.432 174 M N -1.083 118.509 119.600 -0.014 0.000 2.099 174 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 174 M C 2.368 178.690 176.300 0.038 0.000 1.067 174 M CA 1.407 56.744 55.300 0.062 0.000 1.124 174 M CB -1.210 31.505 32.600 0.193 0.000 1.353 174 M HN 0.057 nan 8.290 nan 0.000 0.410 175 V N -0.091 119.774 119.914 -0.082 0.000 2.295 175 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 175 V C 2.617 178.718 176.094 0.011 0.000 1.049 175 V CA 1.753 64.028 62.300 -0.042 0.000 1.024 175 V CB -0.834 30.909 31.823 -0.134 0.000 0.648 175 V HN 0.493 nan 8.190 nan 0.000 0.447 176 C N -0.410 118.881 119.300 -0.015 0.000 2.425 176 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 176 C C 2.639 177.671 174.990 0.069 0.000 1.280 176 C CA 0.654 59.673 59.018 0.003 0.000 1.744 176 C CB -1.128 26.583 27.740 -0.049 0.000 1.989 176 C HN 0.519 nan 8.230 nan 0.000 0.491 177 L N 0.966 122.230 121.223 0.068 0.000 2.093 177 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 177 L C 2.867 179.850 176.870 0.188 0.000 1.085 177 L CA 1.493 56.412 54.840 0.132 0.000 0.755 177 L CB -0.700 41.415 42.059 0.094 0.000 0.904 177 L HN 0.341 nan 8.230 nan 0.000 0.435 178 A N -0.281 122.623 122.820 0.140 0.000 1.873 178 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 178 A C 2.300 179.971 177.584 0.145 0.000 1.186 178 A CA 1.657 53.775 52.037 0.134 0.000 0.616 178 A CB -0.799 18.273 19.000 0.121 0.000 0.823 178 A HN 0.176 nan 8.150 nan 0.000 0.442 179 V N -1.037 118.964 119.914 0.146 0.000 2.407 179 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 179 V C 2.232 178.452 176.094 0.210 0.000 1.055 179 V CA 1.763 64.161 62.300 0.164 0.000 1.049 179 V CB -1.000 30.883 31.823 0.099 0.000 0.662 179 V HN 0.832 nan 8.190 nan 0.000 0.455 180 W N 0.329 121.634 121.300 0.009 0.000 2.354 180 W HA -0.209 4.451 4.660 -0.000 0.000 0.315 180 W C 2.447 179.017 176.519 0.085 0.000 1.206 180 W CA 1.938 59.287 57.345 0.007 0.000 1.290 180 W CB -0.258 29.192 29.460 -0.017 0.000 1.152 180 W HN 0.225 nan 8.180 nan 0.000 0.489 181 M N 0.414 120.073 119.600 0.097 0.000 2.080 181 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 181 M C 2.460 178.735 176.300 -0.041 0.000 1.068 181 M CA 2.176 57.467 55.300 -0.015 0.000 1.109 181 M CB -1.149 31.502 32.600 0.085 0.000 1.342 181 M HN -0.054 nan 8.290 nan 0.000 0.405 182 S N -0.272 115.456 115.700 0.047 0.000 2.374 182 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 182 S C 1.740 176.339 174.600 -0.002 0.000 1.037 182 S CA 1.441 59.665 58.200 0.040 0.000 1.024 182 S CB -0.421 62.837 63.200 0.097 0.000 0.861 182 S HN 0.496 nan 8.310 nan 0.000 0.456 183 Y N 1.694 121.884 120.300 -0.183 0.000 2.421 183 Y HA -0.068 4.482 4.550 -0.000 0.000 0.292 183 Y C 2.770 178.510 175.900 -0.267 0.000 1.136 183 Y CA 1.007 58.976 58.100 -0.219 0.000 1.255 183 Y CB -0.113 38.199 38.460 -0.246 0.000 0.991 183 Y HN 0.490 nan 8.280 nan 0.000 0.552 184 S N -0.548 115.028 115.700 -0.207 0.000 2.607 184 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 184 S C 1.073 175.601 174.600 -0.120 0.000 0.969 184 S CA 0.043 58.127 58.200 -0.194 0.000 0.927 184 S CB -0.535 62.528 63.200 -0.227 0.000 0.772 184 S HN 0.219 nan 8.310 nan 0.000 0.533 185 G N 0.502 109.235 108.800 -0.113 0.000 2.444 185 G HA2 0.427 4.387 3.960 -0.000 0.000 0.268 185 G HA3 0.427 4.387 3.960 -0.000 0.000 0.268 185 G C 0.537 175.384 174.900 -0.090 0.000 1.203 185 G CA -0.690 44.360 45.100 -0.084 0.000 0.835 185 G HN 0.131 nan 8.290 nan 0.000 0.543 186 R N 0.106 120.570 120.500 -0.061 0.000 2.102 186 R HA 0.110 4.450 4.340 -0.000 0.000 0.208 186 R C 1.791 178.060 176.300 -0.051 0.000 1.131 186 R CA 0.817 56.883 56.100 -0.056 0.000 1.054 186 R CB -0.374 29.904 30.300 -0.038 0.000 0.954 186 R HN 0.639 nan 8.270 nan 0.000 0.465 187 S N -0.101 115.579 115.700 -0.033 0.000 2.730 187 S HA 0.132 4.602 4.470 -0.000 0.000 0.284 187 S C 1.246 175.832 174.600 -0.023 0.000 1.153 187 S CA -0.699 57.488 58.200 -0.021 0.000 0.995 187 S CB 1.211 64.410 63.200 -0.001 0.000 1.058 187 S HN 0.043 nan 8.310 nan 0.000 0.552 188 L N 0.696 121.910 121.223 -0.015 0.000 1.989 188 L HA -0.062 4.278 4.340 -0.000 0.000 0.211 188 L C 2.486 179.369 176.870 0.021 0.000 1.071 188 L CA 1.918 56.747 54.840 -0.019 0.000 0.749 188 L CB -1.117 40.936 42.059 -0.010 0.000 0.890 188 L HN 0.739 nan 8.230 nan 0.000 0.431 189 M N -0.688 118.974 119.600 0.104 0.000 2.088 189 M HA -0.278 4.202 4.480 -0.000 0.000 0.256 189 M C 2.043 178.468 176.300 0.208 0.000 1.071 189 M CA 1.907 57.360 55.300 0.255 0.000 1.097 189 M CB -1.525 31.175 32.600 0.167 0.000 1.315 189 M HN 0.294 nan 8.290 nan 0.000 0.406 190 D N 0.322 120.775 120.400 0.088 0.000 2.106 190 D HA -0.171 4.469 4.640 -0.000 0.000 0.191 190 D C 2.052 178.362 176.300 0.017 0.000 0.997 190 D CA 1.490 55.519 54.000 0.048 0.000 0.834 190 D CB -0.235 40.566 40.800 0.001 0.000 0.956 190 D HN 0.429 nan 8.370 nan 0.000 0.448 191 K N 0.244 120.625 120.400 -0.032 0.000 2.167 191 K HA 0.090 4.410 4.320 -0.000 0.000 0.203 191 K C 2.075 178.614 176.600 -0.101 0.000 1.052 191 K CA 0.898 57.141 56.287 -0.073 0.000 0.956 191 K CB 0.091 32.521 32.500 -0.116 0.000 0.735 191 K HN 0.031 nan 8.250 nan 0.000 0.451 192 A N 0.873 123.585 122.820 -0.179 0.000 1.843 192 A HA -0.035 4.284 4.320 -0.000 0.000 0.213 192 A C 1.727 179.090 177.584 -0.369 0.000 1.202 192 A CA 1.008 52.808 52.037 -0.394 0.000 0.607 192 A CB -0.551 17.997 19.000 -0.754 0.000 0.847 192 A HN 0.175 nan 8.150 nan 0.000 0.445 193 F N -0.996 118.948 119.950 -0.011 0.000 2.710 193 F HA 0.117 4.644 4.527 -0.000 0.000 0.298 193 F C 1.739 177.541 175.800 0.003 0.000 1.137 193 F CA 0.107 58.104 58.000 -0.005 0.000 1.444 193 F CB -0.183 38.812 39.000 -0.009 0.000 1.111 193 F HN 0.190 nan 8.300 nan 0.000 0.580 194 I N -0.058 120.586 120.570 0.123 0.000 2.830 194 I HA -0.179 3.991 4.170 -0.000 0.000 0.263 194 I C 1.873 178.034 176.117 0.073 0.000 1.230 194 I CA 1.494 62.846 61.300 0.087 0.000 1.480 194 I CB -0.391 37.644 38.000 0.058 0.000 1.095 194 I HN 0.078 nan 8.210 nan 0.000 0.455 195 M N -1.756 117.873 119.600 0.048 0.000 2.541 195 M HA -0.011 4.469 4.480 -0.000 0.000 0.252 195 M C 1.944 178.276 176.300 0.055 0.000 1.125 195 M CA 0.332 55.660 55.300 0.048 0.000 1.091 195 M CB 0.087 32.698 32.600 0.018 0.000 1.420 195 M HN 0.030 nan 8.290 nan 0.000 0.486 196 V N 0.725 120.676 119.914 0.062 0.000 2.261 196 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 196 V C 2.309 178.432 176.094 0.047 0.000 1.047 196 V CA 1.472 63.812 62.300 0.066 0.000 1.015 196 V CB -0.540 31.360 31.823 0.129 0.000 0.642 196 V HN 0.329 nan 8.190 nan 0.000 0.446 197 L N 0.091 121.347 121.223 0.056 0.000 1.989 197 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 197 L C 0.232 177.127 176.870 0.042 0.000 1.071 197 L CA 2.414 57.276 54.840 0.038 0.000 0.749 197 L CB -2.546 39.539 42.059 0.044 0.000 0.890 197 L HN 0.325 nan 8.230 nan 0.000 0.431 198 P HA -0.092 nan 4.420 nan 0.000 0.216 198 P C 2.160 179.551 177.300 0.153 0.000 1.153 198 P CA 1.035 64.203 63.100 0.113 0.000 0.848 198 P CB 0.068 31.842 31.700 0.124 0.000 0.787 199 V N 0.450 120.441 119.914 0.127 0.000 2.270 199 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 199 V C 2.587 178.556 176.094 -0.208 0.000 1.043 199 V CA 2.216 64.581 62.300 0.108 0.000 1.014 199 V CB -1.797 30.102 31.823 0.127 0.000 0.645 199 V HN 0.088 nan 8.190 nan 0.000 0.447 200 A N -0.186 122.549 122.820 -0.143 0.000 1.940 200 A HA -0.290 4.030 4.320 -0.000 0.000 0.219 200 A C 2.278 179.708 177.584 -0.257 0.000 1.176 200 A CA 2.397 54.307 52.037 -0.211 0.000 0.631 200 A CB -0.592 18.344 19.000 -0.107 0.000 0.814 200 A HN 0.464 nan 8.150 nan 0.000 0.446 201 M N -0.215 119.295 119.600 -0.150 0.000 2.065 201 M HA -0.160 4.320 4.480 -0.000 0.000 0.259 201 M C 2.178 178.306 176.300 -0.287 0.000 1.069 201 M CA 2.633 57.844 55.300 -0.148 0.000 1.110 201 M CB -0.753 31.834 32.600 -0.022 0.000 1.328 201 M HN 0.613 nan 8.290 nan 0.000 0.405 202 F N 0.292 120.086 119.950 -0.261 0.000 2.234 202 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 202 F C 1.704 177.227 175.800 -0.462 0.000 1.087 202 F CA 1.155 58.942 58.000 -0.356 0.000 1.340 202 F CB -1.437 37.581 39.000 0.030 0.000 1.031 202 F HN -0.026 nan 8.300 nan 0.000 0.500 203 V N 1.242 120.414 119.914 -1.237 0.000 2.323 203 V HA -0.138 3.982 4.120 -0.000 0.000 0.244 203 V C 2.959 178.706 176.094 -0.579 0.000 1.041 203 V CA 1.689 63.289 62.300 -1.166 0.000 1.025 203 V CB -1.417 29.534 31.823 -1.454 0.000 0.656 203 V HN 0.532 nan 8.190 nan 0.000 0.451 204 A N -0.355 122.208 122.820 -0.428 0.000 1.972 204 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 204 A C 2.339 179.796 177.584 -0.212 0.000 1.169 204 A CA 2.007 53.900 52.037 -0.239 0.000 0.635 204 A CB -0.546 18.342 19.000 -0.187 0.000 0.810 204 A HN 0.503 nan 8.150 nan 0.000 0.446 205 S N -1.301 114.169 115.700 -0.383 0.000 2.561 205 S HA 0.294 4.764 4.470 -0.000 0.000 0.225 205 S C 1.436 175.889 174.600 -0.245 0.000 0.977 205 S CA 0.818 58.752 58.200 -0.443 0.000 0.926 205 S CB -0.241 62.304 63.200 -1.091 0.000 0.769 205 S HN 1.620 nan 8.310 nan 0.000 0.533 206 G N 1.429 110.143 108.800 -0.143 0.000 2.160 206 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 206 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 206 G C -0.005 175.091 174.900 0.325 0.000 1.008 206 G CA -0.245 44.924 45.100 0.115 0.000 0.724 206 G HN 0.360 nan 8.290 nan 0.000 0.514 207 F N 0.624 120.673 119.950 0.164 0.000 2.490 207 F HA 0.419 4.946 4.527 -0.000 0.000 0.336 207 F C 1.060 176.993 175.800 0.221 0.000 1.178 207 F CA -1.085 57.023 58.000 0.180 0.000 1.301 207 F CB 0.476 39.607 39.000 0.218 0.000 1.175 207 F HN 0.044 nan 8.300 nan 0.000 0.593 208 E N 0.922 121.310 120.200 0.314 0.000 2.113 208 E HA 0.096 4.446 4.350 -0.000 0.000 0.273 208 E C -0.709 176.000 176.600 0.181 0.000 0.924 208 E CA -0.264 56.282 56.400 0.243 0.000 0.764 208 E CB 1.207 30.992 29.700 0.142 0.000 1.104 208 E HN 0.484 nan 8.360 nan 0.000 0.406 209 H N 2.383 121.553 119.070 0.167 0.000 2.541 209 H HA 0.099 4.655 4.556 -0.000 0.000 0.316 209 H C 1.019 176.451 175.328 0.174 0.000 1.043 209 H CA -0.095 56.013 56.048 0.100 0.000 1.232 209 H CB 1.154 30.970 29.762 0.091 0.000 1.406 209 H HN 0.483 nan 8.280 nan 0.000 0.469 210 S N 5.000 120.548 115.700 -0.253 0.000 2.370 210 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 210 S C 1.928 176.521 174.600 -0.012 0.000 1.033 210 S CA 0.786 58.941 58.200 -0.076 0.000 1.011 210 S CB -0.023 63.124 63.200 -0.088 0.000 0.852 210 S HN 0.578 nan 8.310 nan 0.000 0.457 211 I N 3.123 123.645 120.570 -0.081 0.000 2.252 211 I HA -0.021 4.149 4.170 -0.000 0.000 0.245 211 I C 3.103 179.419 176.117 0.331 0.000 1.102 211 I CA 1.045 62.403 61.300 0.097 0.000 1.385 211 I CB -2.141 35.976 38.000 0.195 0.000 1.064 211 I HN 0.409 nan 8.210 nan 0.000 0.414 212 A N 1.505 124.684 122.820 0.597 0.000 1.908 212 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 212 A C 2.031 180.022 177.584 0.679 0.000 1.181 212 A CA 1.980 54.402 52.037 0.642 0.000 0.627 212 A CB -0.814 18.565 19.000 0.631 0.000 0.818 212 A HN 0.440 nan 8.150 nan 0.000 0.445 213 N N -0.523 118.483 118.700 0.509 0.000 2.364 213 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 213 N C 1.539 177.185 175.510 0.227 0.000 1.022 213 N CA 1.349 54.624 53.050 0.374 0.000 0.883 213 N CB -0.460 38.246 38.487 0.366 0.000 0.965 213 N HN 0.591 nan 8.380 nan 0.000 0.438 214 M N -1.032 118.719 119.600 0.252 0.000 2.296 214 M HA -0.063 4.417 4.480 -0.000 0.000 0.265 214 M C 1.638 177.989 176.300 0.085 0.000 1.064 214 M CA 0.978 56.379 55.300 0.168 0.000 1.109 214 M CB -0.119 32.549 32.600 0.113 0.000 1.396 214 M HN 0.063 nan 8.290 nan 0.000 0.430 215 F N 0.563 120.562 119.950 0.082 0.000 2.118 215 F HA -0.150 4.377 4.527 -0.000 0.000 0.293 215 F C 2.271 178.050 175.800 -0.035 0.000 1.102 215 F CA 1.354 59.401 58.000 0.079 0.000 1.247 215 F CB -0.191 38.926 39.000 0.196 0.000 1.017 215 F HN 0.009 nan 8.300 nan 0.000 0.475 216 M N 0.956 120.514 119.600 -0.069 0.000 2.086 216 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 216 M C 1.908 177.964 176.300 -0.408 0.000 1.067 216 M CA 1.944 57.036 55.300 -0.347 0.000 1.116 216 M CB -0.863 31.431 32.600 -0.509 0.000 1.348 216 M HN 0.291 nan 8.290 nan 0.000 0.407 217 I N -0.331 120.001 120.570 -0.396 0.000 2.252 217 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 217 I C -0.683 175.101 176.117 -0.555 0.000 1.102 217 I CA 1.002 62.023 61.300 -0.464 0.000 1.385 217 I CB -1.874 35.828 38.000 -0.497 0.000 1.064 217 I HN 0.218 nan 8.210 nan 0.000 0.414 218 P HA -0.175 nan 4.420 nan 0.000 0.217 218 P C 1.781 178.844 177.300 -0.396 0.000 1.150 218 P CA 1.307 64.115 63.100 -0.485 0.000 0.832 218 P CB -0.012 31.439 31.700 -0.415 0.000 0.787 219 M N -0.106 119.185 119.600 -0.514 0.000 2.080 219 M HA -0.061 4.419 4.480 -0.000 0.000 0.260 219 M C 1.983 178.100 176.300 -0.305 0.000 1.068 219 M CA 2.207 57.227 55.300 -0.466 0.000 1.109 219 M CB -1.652 30.489 32.600 -0.765 0.000 1.342 219 M HN -0.102 nan 8.290 nan 0.000 0.405 220 G N -0.107 108.514 108.800 -0.299 0.000 2.440 220 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 220 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 220 G C 1.561 176.341 174.900 -0.201 0.000 1.154 220 G CA 1.283 46.249 45.100 -0.224 0.000 0.767 220 G HN 0.552 nan 8.290 nan 0.000 0.552 221 I N 0.312 120.757 120.570 -0.208 0.000 2.163 221 I HA -0.181 3.989 4.170 -0.000 0.000 0.243 221 I C 2.796 178.792 176.117 -0.201 0.000 1.085 221 I CA 0.597 61.797 61.300 -0.167 0.000 1.347 221 I CB -0.386 37.523 38.000 -0.152 0.000 1.044 221 I HN 0.028 nan 8.210 nan 0.000 0.408 222 V N 1.096 120.872 119.914 -0.231 0.000 2.332 222 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 222 V C 2.308 178.134 176.094 -0.446 0.000 1.055 222 V CA 1.999 64.137 62.300 -0.270 0.000 1.038 222 V CB -0.409 31.196 31.823 -0.364 0.000 0.651 222 V HN 0.336 nan 8.190 nan 0.000 0.450 223 I N -0.542 119.783 120.570 -0.408 0.000 2.202 223 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 223 I C 2.749 178.685 176.117 -0.301 0.000 1.091 223 I CA 1.670 62.698 61.300 -0.453 0.000 1.368 223 I CB -0.440 37.360 38.000 -0.334 0.000 1.058 223 I HN 0.208 nan 8.210 nan 0.000 0.410 224 R N 0.879 121.296 120.500 -0.139 0.000 2.091 224 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 224 R C 1.572 177.918 176.300 0.078 0.000 1.136 224 R CA 2.122 58.298 56.100 0.128 0.000 0.959 224 R CB -0.145 30.206 30.300 0.085 0.000 0.856 224 R HN 0.325 nan 8.270 nan 0.000 0.437 225 D N -1.098 119.150 120.400 -0.253 0.000 2.249 225 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 225 D C 0.812 176.671 176.300 -0.735 0.000 0.962 225 D CA 0.968 54.629 54.000 -0.565 0.000 0.860 225 D CB 0.164 40.413 40.800 -0.919 0.000 0.955 225 D HN 0.249 nan 8.370 nan 0.000 0.505 226 F N 0.497 120.290 119.950 -0.261 0.000 2.706 226 F HA 0.403 4.930 4.527 -0.000 0.000 0.313 226 F C 0.928 176.691 175.800 -0.063 0.000 1.096 226 F CA -0.759 57.079 58.000 -0.271 0.000 1.219 226 F CB -0.145 38.456 39.000 -0.665 0.000 1.051 226 F HN -0.254 nan 8.300 nan 0.000 0.568 227 A N 1.178 124.014 122.820 0.027 0.000 2.565 227 A HA 0.328 4.648 4.320 -0.000 0.000 0.237 227 A C 0.887 178.652 177.584 0.303 0.000 1.053 227 A CA 0.231 52.296 52.037 0.046 0.000 0.755 227 A CB -0.215 18.490 19.000 -0.492 0.000 0.980 227 A HN 0.364 nan 8.150 nan 0.000 0.506 228 S N 2.541 118.464 115.700 0.372 0.000 2.608 228 S HA 0.326 4.796 4.470 -0.000 0.000 0.261 228 S C -1.895 172.935 174.600 0.384 0.000 1.314 228 S CA -0.594 57.812 58.200 0.345 0.000 0.992 228 S CB 0.228 63.600 63.200 0.286 0.000 0.935 228 S HN 0.468 nan 8.310 nan 0.000 0.564 229 P HA -0.032 nan 4.420 nan 0.000 0.217 229 P C 1.065 178.541 177.300 0.294 0.000 1.150 229 P CA 1.082 64.415 63.100 0.388 0.000 0.832 229 P CB -0.033 31.818 31.700 0.252 0.000 0.787 230 E N -1.177 119.146 120.200 0.203 0.000 2.085 230 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 230 E C 1.718 178.380 176.600 0.102 0.000 0.994 230 E CA 1.039 57.514 56.400 0.126 0.000 0.801 230 E CB -1.313 28.436 29.700 0.082 0.000 0.743 230 E HN 0.270 nan 8.360 nan 0.000 0.453 231 F N -0.564 119.358 119.950 -0.046 0.000 2.102 231 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 231 F C 1.683 177.414 175.800 -0.115 0.000 1.105 231 F CA 1.573 59.466 58.000 -0.178 0.000 1.239 231 F CB -0.476 38.374 39.000 -0.250 0.000 0.991 231 F HN 0.047 nan 8.300 nan 0.000 0.474 232 W N 0.504 121.875 121.300 0.117 0.000 2.358 232 W HA -0.171 4.489 4.660 -0.000 0.000 0.303 232 W C 2.581 179.056 176.519 -0.072 0.000 1.208 232 W CA 1.508 58.848 57.345 -0.008 0.000 1.274 232 W CB -1.112 28.440 29.460 0.154 0.000 1.138 232 W HN -0.125 nan 8.180 nan 0.000 0.515 233 T N 0.362 115.028 114.554 0.187 0.000 2.746 233 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 233 T C 2.001 176.701 174.700 0.001 0.000 1.039 233 T CA 1.785 63.941 62.100 0.093 0.000 1.142 233 T CB -0.800 68.120 68.868 0.086 0.000 0.866 233 T HN 0.220 nan 8.240 nan 0.000 0.444 234 A N 0.354 123.128 122.820 -0.077 0.000 1.940 234 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 234 A C 2.396 179.892 177.584 -0.147 0.000 1.176 234 A CA 1.336 53.300 52.037 -0.122 0.000 0.631 234 A CB -0.679 18.218 19.000 -0.171 0.000 0.814 234 A HN 0.385 nan 8.150 nan 0.000 0.446 235 V N -1.467 118.310 119.914 -0.229 0.000 3.643 235 V HA 0.356 4.476 4.120 -0.000 0.000 0.280 235 V C 1.423 177.502 176.094 -0.024 0.000 1.351 235 V CA 0.973 63.145 62.300 -0.213 0.000 1.073 235 V CB -0.220 31.256 31.823 -0.578 0.000 0.863 235 V HN 1.164 nan 8.190 nan 0.000 0.436 236 G N 0.660 109.474 108.800 0.023 0.000 2.225 236 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 236 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 236 G C 0.148 175.123 174.900 0.125 0.000 1.060 236 G CA 0.731 45.871 45.100 0.068 0.000 0.833 236 G HN 0.687 nan 8.290 nan 0.000 0.498 237 S N -1.631 114.202 115.700 0.223 0.000 2.880 237 S HA 1.031 5.501 4.470 -0.000 0.000 0.308 237 S C -0.401 174.346 174.600 0.245 0.000 1.195 237 S CA 0.595 58.969 58.200 0.290 0.000 0.866 237 S CB 1.647 65.150 63.200 0.505 0.000 1.254 237 S HN 2.081 nan 8.310 nan 0.000 0.571 238 A N 0.632 123.445 122.820 -0.012 0.000 2.608 238 A HA 0.714 5.034 4.320 -0.000 0.000 0.292 238 A C -2.742 174.321 177.584 -0.869 0.000 1.066 238 A CA -1.062 50.560 52.037 -0.691 0.000 0.676 238 A CB 0.514 19.304 19.000 -0.350 0.000 1.277 238 A HN 0.434 nan 8.150 nan 0.000 0.413 239 P HA -0.149 nan 4.420 nan 0.000 0.216 239 P C 0.713 177.943 177.300 -0.117 0.000 1.150 239 P CA 1.820 64.632 63.100 -0.480 0.000 0.843 239 P CB 0.183 31.672 31.700 -0.351 0.000 0.787 240 E N -0.953 119.137 120.200 -0.184 0.000 2.338 240 E HA -0.118 4.232 4.350 -0.000 0.000 0.197 240 E C 1.395 177.935 176.600 -0.099 0.000 1.007 240 E CA 0.641 56.973 56.400 -0.113 0.000 0.849 240 E CB -0.928 28.698 29.700 -0.124 0.000 0.774 240 E HN 0.282 nan 8.360 nan 0.000 0.506 241 N N -0.224 118.398 118.700 -0.130 0.000 2.494 241 N HA -0.029 4.711 4.740 -0.000 0.000 0.182 241 N C -0.336 174.867 175.510 -0.511 0.000 1.076 241 N CA 0.612 53.477 53.050 -0.308 0.000 0.908 241 N CB 0.174 38.423 38.487 -0.396 0.000 0.967 241 N HN 0.179 nan 8.380 nan 0.000 0.449 242 F N -0.537 119.452 119.950 0.066 0.000 2.818 242 F HA 0.221 4.748 4.527 -0.000 0.000 0.369 242 F C 1.394 177.240 175.800 0.077 0.000 1.327 242 F CA -0.551 57.526 58.000 0.128 0.000 1.211 242 F CB 0.032 39.136 39.000 0.173 0.000 1.036 242 F HN -0.098 nan 8.300 nan 0.000 0.510 243 S N -1.981 113.777 115.700 0.097 0.000 2.507 243 S HA -0.197 4.273 4.470 -0.000 0.000 0.235 243 S C 1.208 175.731 174.600 -0.128 0.000 0.988 243 S CA 1.189 59.357 58.200 -0.053 0.000 0.944 243 S CB -0.649 62.450 63.200 -0.169 0.000 0.762 243 S HN 0.554 nan 8.310 nan 0.000 0.526 244 H N 0.211 119.344 119.070 0.104 0.000 2.539 244 H HA 0.411 4.967 4.556 -0.000 0.000 0.269 244 H C 0.244 175.587 175.328 0.025 0.000 0.980 244 H CA -0.055 56.022 56.048 0.049 0.000 1.152 244 H CB 0.004 29.776 29.762 0.017 0.000 1.407 244 H HN 0.296 nan 8.280 nan 0.000 0.564 245 L N 3.071 124.389 121.223 0.158 0.000 2.382 245 L HA 0.103 4.443 4.340 -0.000 0.000 0.259 245 L C 0.165 177.063 176.870 0.047 0.000 1.291 245 L CA -0.239 54.659 54.840 0.096 0.000 1.176 245 L CB -0.571 41.552 42.059 0.107 0.000 1.373 245 L HN 0.310 nan 8.230 nan 0.000 0.426 246 T N -2.887 111.702 114.554 0.058 0.000 2.916 246 T HA 0.341 4.691 4.350 -0.000 0.000 0.292 246 T C 1.081 175.842 174.700 0.101 0.000 1.064 246 T CA -0.837 61.291 62.100 0.046 0.000 1.011 246 T CB 2.048 70.936 68.868 0.033 0.000 1.152 246 T HN -0.118 nan 8.240 nan 0.000 0.510 247 V N 0.949 120.922 119.914 0.098 0.000 2.255 247 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 247 V C 2.690 178.883 176.094 0.166 0.000 1.051 247 V CA 2.462 64.867 62.300 0.175 0.000 1.018 247 V CB -0.884 31.012 31.823 0.122 0.000 0.641 247 V HN 0.930 nan 8.190 nan 0.000 0.445 248 M N 0.879 120.534 119.600 0.092 0.000 2.073 248 M HA -0.200 4.280 4.480 -0.000 0.000 0.258 248 M C 1.853 178.191 176.300 0.063 0.000 1.070 248 M CA 1.968 57.304 55.300 0.060 0.000 1.103 248 M CB -1.025 31.602 32.600 0.044 0.000 1.321 248 M HN 0.347 nan 8.290 nan 0.000 0.405 249 N N -0.574 118.179 118.700 0.088 0.000 2.166 249 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 249 N C 1.589 177.169 175.510 0.116 0.000 1.019 249 N CA 1.390 54.493 53.050 0.087 0.000 0.856 249 N CB -0.754 37.788 38.487 0.091 0.000 0.993 249 N HN 0.483 nan 8.380 nan 0.000 0.426 250 F N 1.984 121.935 119.950 0.001 0.000 2.046 250 F HA -0.075 4.452 4.527 -0.000 0.000 0.297 250 F C 2.074 177.884 175.800 0.016 0.000 1.123 250 F CA 1.167 59.166 58.000 -0.001 0.000 1.199 250 F CB -0.799 38.198 39.000 -0.006 0.000 0.972 250 F HN -0.087 nan 8.300 nan 0.000 0.474 251 I N 0.338 120.684 120.570 -0.373 0.000 2.163 251 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 251 I C 2.518 178.505 176.117 -0.216 0.000 1.085 251 I CA 2.094 63.109 61.300 -0.475 0.000 1.347 251 I CB -0.852 37.001 38.000 -0.245 0.000 1.044 251 I HN 0.431 nan 8.210 nan 0.000 0.408 252 T N -2.974 111.534 114.554 -0.076 0.000 2.894 252 T HA -0.057 4.293 4.350 -0.000 0.000 0.258 252 T C 1.494 176.224 174.700 0.050 0.000 1.043 252 T CA 0.868 62.971 62.100 0.006 0.000 1.141 252 T CB -0.239 68.648 68.868 0.032 0.000 0.873 252 T HN 0.174 nan 8.240 nan 0.000 0.449 253 D N 0.733 121.156 120.400 0.038 0.000 2.333 253 D HA 0.074 4.714 4.640 -0.000 0.000 0.208 253 D C 1.792 178.117 176.300 0.042 0.000 0.984 253 D CA 0.427 54.460 54.000 0.055 0.000 0.873 253 D CB 0.071 40.885 40.800 0.023 0.000 0.935 253 D HN 0.463 nan 8.370 nan 0.000 0.521 254 N N 0.034 118.749 118.700 0.025 0.000 2.909 254 N HA -0.045 4.695 4.740 -0.000 0.000 0.243 254 N C 1.690 177.185 175.510 -0.025 0.000 1.018 254 N CA -0.190 52.891 53.050 0.052 0.000 1.068 254 N CB -0.013 38.577 38.487 0.172 0.000 1.651 254 N HN -0.057 nan 8.380 nan 0.000 0.509 255 L N 2.336 123.471 121.223 -0.148 0.000 2.042 255 L HA 0.054 4.394 4.340 -0.000 0.000 0.210 255 L C 2.226 179.023 176.870 -0.121 0.000 1.076 255 L CA 1.305 56.024 54.840 -0.201 0.000 0.749 255 L CB -0.607 41.112 42.059 -0.567 0.000 0.893 255 L HN 0.242 nan 8.230 nan 0.000 0.432 256 I N -0.206 120.300 120.570 -0.108 0.000 2.090 256 I HA -0.211 3.959 4.170 -0.000 0.000 0.236 256 I C -0.311 175.758 176.117 -0.080 0.000 1.064 256 I CA 1.454 62.728 61.300 -0.043 0.000 1.324 256 I CB -1.726 36.301 38.000 0.045 0.000 1.044 256 I HN 0.240 nan 8.210 nan 0.000 0.399 257 P HA -0.090 nan 4.420 nan 0.000 0.217 257 P C 1.926 179.039 177.300 -0.312 0.000 1.150 257 P CA 1.142 63.918 63.100 -0.540 0.000 0.832 257 P CB -0.033 31.141 31.700 -0.876 0.000 0.787 258 V N -0.340 119.470 119.914 -0.174 0.000 2.358 258 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 258 V C 2.374 178.421 176.094 -0.078 0.000 1.047 258 V CA 2.479 64.718 62.300 -0.102 0.000 1.035 258 V CB -1.857 29.956 31.823 -0.018 0.000 0.658 258 V HN 0.174 nan 8.190 nan 0.000 0.452 259 T N 0.338 114.859 114.554 -0.055 0.000 2.708 259 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 259 T C 1.855 176.552 174.700 -0.006 0.000 1.037 259 T CA 1.824 63.918 62.100 -0.011 0.000 1.146 259 T CB -0.306 68.538 68.868 -0.041 0.000 0.865 259 T HN 0.313 nan 8.240 nan 0.000 0.435 260 I N 1.168 121.716 120.570 -0.037 0.000 2.151 260 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 260 I C 2.857 178.952 176.117 -0.037 0.000 1.080 260 I CA 1.510 62.801 61.300 -0.016 0.000 1.339 260 I CB -0.700 37.291 38.000 -0.015 0.000 1.039 260 I HN 0.337 nan 8.210 nan 0.000 0.409 261 G N 0.232 108.977 108.800 -0.092 0.000 2.421 261 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 261 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 261 G C 1.362 176.212 174.900 -0.084 0.000 1.171 261 G CA 1.119 46.158 45.100 -0.102 0.000 0.775 261 G HN 0.452 nan 8.290 nan 0.000 0.543 262 N N 0.233 118.888 118.700 -0.076 0.000 2.036 262 N HA -0.126 4.614 4.740 -0.000 0.000 0.195 262 N C 2.215 177.675 175.510 -0.082 0.000 1.037 262 N CA 1.175 54.176 53.050 -0.082 0.000 0.855 262 N CB -0.214 38.239 38.487 -0.057 0.000 1.033 262 N HN 0.294 nan 8.380 nan 0.000 0.423 263 I N 1.218 121.767 120.570 -0.036 0.000 2.163 263 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 263 I C 2.146 178.269 176.117 0.010 0.000 1.085 263 I CA 1.156 62.446 61.300 -0.017 0.000 1.347 263 I CB -0.261 37.798 38.000 0.098 0.000 1.044 263 I HN 0.175 nan 8.210 nan 0.000 0.408 264 I N 0.480 121.052 120.570 0.003 0.000 2.179 264 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 264 I C 2.718 178.820 176.117 -0.025 0.000 1.088 264 I CA 1.652 62.952 61.300 0.000 0.000 1.357 264 I CB -1.027 36.967 38.000 -0.011 0.000 1.051 264 I HN 0.291 nan 8.210 nan 0.000 0.409 265 G N 0.645 109.411 108.800 -0.057 0.000 2.529 265 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 265 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 265 G C 1.699 176.559 174.900 -0.067 0.000 1.177 265 G CA 1.019 46.074 45.100 -0.075 0.000 0.773 265 G HN 0.513 nan 8.290 nan 0.000 0.573 266 G N 0.567 109.322 108.800 -0.075 0.000 2.432 266 G HA2 0.097 4.057 3.960 -0.000 0.000 0.219 266 G HA3 0.097 4.057 3.960 -0.000 0.000 0.219 266 G C 1.746 176.633 174.900 -0.021 0.000 1.135 266 G CA 1.349 46.407 45.100 -0.069 0.000 0.767 266 G HN 0.649 nan 8.290 nan 0.000 0.550 267 G N 0.895 109.704 108.800 0.016 0.000 2.408 267 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 267 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 267 G C 1.779 176.696 174.900 0.029 0.000 1.150 267 G CA 0.598 45.727 45.100 0.048 0.000 0.776 267 G HN 0.419 nan 8.290 nan 0.000 0.542 268 L N -0.202 121.023 121.223 0.003 0.000 2.079 268 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 268 L C 2.883 179.741 176.870 -0.020 0.000 1.081 268 L CA 0.673 55.510 54.840 -0.004 0.000 0.752 268 L CB -0.293 41.749 42.059 -0.027 0.000 0.896 268 L HN 0.207 nan 8.230 nan 0.000 0.433 269 L N -1.462 119.728 121.223 -0.053 0.000 2.072 269 L HA -0.147 4.192 4.340 -0.000 0.000 0.205 269 L C 2.498 179.291 176.870 -0.129 0.000 1.079 269 L CA 0.539 55.317 54.840 -0.104 0.000 0.752 269 L CB -0.374 41.604 42.059 -0.136 0.000 0.906 269 L HN 0.022 nan 8.230 nan 0.000 0.436 270 V N 0.345 120.200 119.914 -0.097 0.000 2.287 270 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 270 V C 2.544 178.609 176.094 -0.048 0.000 1.053 270 V CA 2.178 64.402 62.300 -0.127 0.000 1.027 270 V CB -1.200 30.602 31.823 -0.035 0.000 0.646 270 V HN 0.585 nan 8.190 nan 0.000 0.447 271 G N -0.998 107.856 108.800 0.091 0.000 2.471 271 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.219 271 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.219 271 G C 1.487 176.576 174.900 0.315 0.000 1.125 271 G CA 0.338 45.583 45.100 0.243 0.000 0.775 271 G HN 0.370 nan 8.290 nan 0.000 0.548 272 L N 0.844 122.146 121.223 0.131 0.000 2.162 272 L HA 0.043 4.383 4.340 -0.000 0.000 0.205 272 L C 2.706 179.628 176.870 0.085 0.000 1.086 272 L CA 1.658 56.559 54.840 0.102 0.000 0.778 272 L CB -1.139 40.909 42.059 -0.019 0.000 0.928 272 L HN 0.160 nan 8.230 nan 0.000 0.446 273 T N -0.659 113.860 114.554 -0.059 0.000 2.746 273 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 273 T C 1.751 176.405 174.700 -0.077 0.000 1.039 273 T CA 1.541 63.537 62.100 -0.175 0.000 1.142 273 T CB -0.311 68.322 68.868 -0.392 0.000 0.866 273 T HN 0.207 nan 8.240 nan 0.000 0.444 274 Y N -0.014 120.290 120.300 0.008 0.000 2.114 274 Y HA -0.111 4.439 4.550 -0.000 0.000 0.284 274 Y C 2.143 178.025 175.900 -0.031 0.000 1.143 274 Y CA 0.520 58.591 58.100 -0.049 0.000 1.135 274 Y CB -0.942 37.442 38.460 -0.127 0.000 0.980 274 Y HN 0.290 nan 8.280 nan 0.000 0.499 275 W N -0.575 120.802 121.300 0.128 0.000 2.341 275 W HA -0.077 4.583 4.660 -0.000 0.000 0.283 275 W C 0.785 177.327 176.519 0.039 0.000 1.215 275 W CA 0.907 58.288 57.345 0.061 0.000 1.211 275 W CB -0.856 28.623 29.460 0.032 0.000 1.131 275 W HN -0.281 nan 8.180 nan 0.000 0.552 276 V N 0.000 120.049 119.914 0.224 0.000 2.409 276 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 276 V CA 0.000 62.376 62.300 0.127 0.000 1.235 276 V CB 0.000 31.871 31.823 0.079 0.000 1.184 276 V HN 0.000 nan 8.190 nan 0.000 0.556