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 1p7c_1_A DATA FIRST_RESID 45 DATA SEQUENCE KMPTLLRVYI DGPHGMGKTT TTQLLVALXX XXDIVYVPEP XXXXRVLGAS DATA SEQUENCE ETIANIYTTQ HRLDQGEISA GDAAVVMTSA QITMGMPYAV TDAVLAPHIG DATA SEQUENCE GEAGXXXXPP PALTLIFDRH PIAALLCYPA ARYLMGSMTP QAVLAFVALI DATA SEQUENCE PPTLPGTNIV LGALPEDRHI DRLAKRQRPG ERLDLAMLAA IRRVYGLLAN DATA SEQUENCE TVRYLQCGGS WREDWGQLSG XXXXXXXXXX XXXXGPRPHI GDTLFTLFRA DATA SEQUENCE PELLAPNGDL YNVFAWALDV LAKRLRSMHV FILDYDQSPA GCRDALLQLT DATA SEQUENCE SGMVQTHVTT PGSIPTICDL ARTFARE 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 45 K HA 0.000 nan 4.320 nan 0.000 0.191 45 K C 0.000 176.584 176.600 -0.026 0.000 0.988 45 K CA 0.000 56.248 56.287 -0.065 0.000 0.838 45 K CB 0.000 32.460 32.500 -0.067 0.000 1.064 46 M N 2.976 122.546 119.600 -0.049 0.000 2.242 46 M HA 0.283 4.763 4.480 0.000 0.000 0.344 46 M C -2.087 174.298 176.300 0.141 0.000 1.140 46 M CA -2.178 53.145 55.300 0.040 0.000 1.160 46 M CB -0.419 32.207 32.600 0.042 0.000 1.491 46 M HN 0.385 nan 8.290 nan 0.000 0.459 47 P HA 0.127 nan 4.420 nan 0.000 0.270 47 P C -0.392 176.990 177.300 0.136 0.000 1.223 47 P CA -0.159 63.008 63.100 0.112 0.000 0.785 47 P CB 0.191 31.931 31.700 0.066 0.000 0.923 48 T N -0.469 114.131 114.554 0.077 0.000 2.922 48 T HA 0.592 4.942 4.350 0.000 0.000 0.285 48 T C -0.325 174.376 174.700 0.002 0.000 1.005 48 T CA -0.837 61.264 62.100 0.003 0.000 1.061 48 T CB 0.681 69.505 68.868 -0.073 0.000 1.007 48 T HN 0.268 nan 8.240 nan 0.000 0.502 49 L N 2.169 123.387 121.223 -0.008 0.000 2.386 49 L HA 0.641 4.981 4.340 0.000 0.000 0.271 49 L C -1.632 175.240 176.870 0.003 0.000 0.993 49 L CA -1.313 53.533 54.840 0.010 0.000 0.819 49 L CB 2.021 44.106 42.059 0.045 0.000 1.294 49 L HN 0.691 nan 8.230 nan 0.000 0.414 50 L N 5.217 126.437 121.223 -0.005 0.000 2.319 50 L HA 0.506 4.846 4.340 0.000 0.000 0.281 50 L C -0.638 176.239 176.870 0.012 0.000 1.005 50 L CA -0.118 54.720 54.840 -0.003 0.000 0.828 50 L CB 1.169 43.205 42.059 -0.038 0.000 1.227 50 L HN 0.530 nan 8.230 nan 0.000 0.415 51 R N 4.334 124.877 120.500 0.072 0.000 2.346 51 R HA 0.732 5.072 4.340 0.000 0.000 0.311 51 R C -1.323 175.014 176.300 0.063 0.000 0.983 51 R CA -0.828 55.331 56.100 0.100 0.000 0.880 51 R CB 1.908 32.339 30.300 0.218 0.000 1.100 51 R HN 0.439 nan 8.270 nan 0.000 0.453 52 V N 4.239 124.145 119.914 -0.013 0.000 2.443 52 V HA 0.280 4.400 4.120 0.000 0.000 0.293 52 V C -1.158 174.963 176.094 0.044 0.000 1.021 52 V CA -0.970 61.347 62.300 0.028 0.000 0.848 52 V CB 1.138 32.944 31.823 -0.029 0.000 0.998 52 V HN 0.631 nan 8.190 nan 0.000 0.424 53 Y N 4.620 125.087 120.300 0.280 0.000 2.385 53 Y HA 0.519 5.069 4.550 0.000 0.000 0.341 53 Y C 0.354 176.381 175.900 0.211 0.000 0.965 53 Y CA -0.984 57.291 58.100 0.291 0.000 1.180 53 Y CB 1.118 39.728 38.460 0.250 0.000 1.139 53 Y HN 0.407 nan 8.280 nan 0.000 0.502 54 I N 4.238 124.994 120.570 0.309 0.000 2.322 54 I HA 0.158 4.328 4.170 0.000 0.000 0.292 54 I C 0.198 176.447 176.117 0.221 0.000 1.060 54 I CA 0.124 61.560 61.300 0.226 0.000 1.309 54 I CB 0.288 38.393 38.000 0.174 0.000 1.415 54 I HN 0.748 nan 8.210 nan 0.000 0.492 55 D N 3.456 123.959 120.400 0.171 0.000 2.961 55 D HA 0.670 5.310 4.640 0.000 0.000 0.257 55 D C -0.046 176.194 176.300 -0.101 0.000 1.211 55 D CA 0.303 54.361 54.000 0.096 0.000 1.066 55 D CB 2.704 43.608 40.800 0.174 0.000 1.291 55 D HN 0.631 nan 8.370 nan 0.000 0.629 56 G N 0.328 108.828 108.800 -0.500 0.000 2.655 56 G HA2 -0.096 3.864 3.960 0.000 0.000 0.680 56 G HA3 -0.096 3.864 3.960 0.000 0.000 0.680 56 G C -2.874 171.513 174.900 -0.855 0.000 1.302 56 G CA -0.819 43.625 45.100 -1.092 0.000 0.872 56 G HN 0.360 nan 8.290 nan 0.000 0.540 57 P HA 0.207 nan 4.420 nan 0.000 0.268 57 P C 0.307 177.633 177.300 0.044 0.000 1.205 57 P CA 0.010 63.063 63.100 -0.078 0.000 0.771 57 P CB 0.185 31.909 31.700 0.040 0.000 0.858 58 H N 1.028 120.236 119.070 0.229 0.000 2.871 58 H HA 0.229 4.785 4.556 0.000 0.000 0.355 58 H C 1.131 176.590 175.328 0.219 0.000 1.092 58 H CA 0.220 56.378 56.048 0.183 0.000 1.420 58 H CB -0.423 29.473 29.762 0.223 0.000 1.400 58 H HN 0.805 nan 8.280 nan 0.000 0.604 59 G N 2.096 110.979 108.800 0.138 0.000 2.141 59 G HA2 -0.247 3.713 3.960 0.000 0.000 0.231 59 G HA3 -0.247 3.713 3.960 0.000 0.000 0.231 59 G C 0.762 175.651 174.900 -0.020 0.000 0.984 59 G CA 0.330 45.498 45.100 0.114 0.000 0.660 59 G HN 0.594 nan 8.290 nan 0.000 0.525 60 M N -0.214 119.213 119.600 -0.289 0.000 2.492 60 M HA 0.350 4.830 4.480 0.000 0.000 0.255 60 M C 1.833 177.766 176.300 -0.612 0.000 1.139 60 M CA 1.370 56.298 55.300 -0.619 0.000 1.096 60 M CB 0.594 32.617 32.600 -0.960 0.000 1.360 60 M HN 1.181 nan 8.290 nan 0.000 0.480 61 G N 1.041 109.608 108.800 -0.390 0.000 2.148 61 G HA2 -0.201 3.759 3.960 0.000 0.000 0.157 61 G HA3 -0.201 3.759 3.960 0.000 0.000 0.157 61 G C 0.633 175.468 174.900 -0.109 0.000 1.012 61 G CA 0.388 45.369 45.100 -0.198 0.000 0.677 61 G HN 0.352 nan 8.290 nan 0.000 0.506 62 K N 0.025 120.321 120.400 -0.174 0.000 2.015 62 K HA -0.149 4.171 4.320 0.000 0.000 0.216 62 K C 2.583 179.235 176.600 0.086 0.000 1.052 62 K CA 2.729 59.023 56.287 0.012 0.000 0.937 62 K CB -0.330 32.181 32.500 0.017 0.000 0.719 62 K HN 0.318 nan 8.250 nan 0.000 0.446 63 T N -0.064 114.544 114.554 0.089 0.000 2.737 63 T HA -0.104 4.246 4.350 0.000 0.000 0.265 63 T C 1.834 176.586 174.700 0.087 0.000 1.038 63 T CA 1.754 63.935 62.100 0.135 0.000 1.144 63 T CB -0.488 68.469 68.868 0.148 0.000 0.866 63 T HN 0.362 nan 8.240 nan 0.000 0.434 64 T N 1.996 116.589 114.554 0.065 0.000 2.635 64 T HA -0.158 4.192 4.350 0.000 0.000 0.267 64 T C 2.275 176.995 174.700 0.034 0.000 1.040 64 T CA 1.882 64.011 62.100 0.049 0.000 1.156 64 T CB -0.832 68.062 68.868 0.044 0.000 0.863 64 T HN 0.401 nan 8.240 nan 0.000 0.430 65 T N 1.761 116.350 114.554 0.058 0.000 2.684 65 T HA -0.131 4.219 4.350 0.000 0.000 0.267 65 T C 2.295 176.970 174.700 -0.042 0.000 1.036 65 T CA 1.820 63.947 62.100 0.045 0.000 1.148 65 T CB -0.757 68.202 68.868 0.151 0.000 0.863 65 T HN 0.438 nan 8.240 nan 0.000 0.436 66 T N 2.228 116.724 114.554 -0.096 0.000 2.708 66 T HA -0.116 4.234 4.350 0.000 0.000 0.266 66 T C 2.158 176.659 174.700 -0.332 0.000 1.037 66 T CA 1.143 63.057 62.100 -0.309 0.000 1.146 66 T CB -0.355 68.179 68.868 -0.556 0.000 0.865 66 T HN 0.465 nan 8.240 nan 0.000 0.435 67 Q N 0.378 120.077 119.800 -0.169 0.000 2.135 67 Q HA -0.046 4.294 4.340 0.000 0.000 0.204 67 Q C 2.373 178.349 176.000 -0.040 0.000 0.981 67 Q CA 1.174 56.956 55.803 -0.035 0.000 0.856 67 Q CB -0.405 28.372 28.738 0.065 0.000 0.902 67 Q HN 0.467 nan 8.270 nan 0.000 0.425 68 L N 0.199 121.396 121.223 -0.043 0.000 2.027 68 L HA -0.173 4.167 4.340 0.000 0.000 0.206 68 L C 2.369 179.208 176.870 -0.051 0.000 1.074 68 L CA 0.700 55.520 54.840 -0.033 0.000 0.745 68 L CB -0.378 41.668 42.059 -0.021 0.000 0.898 68 L HN 0.360 nan 8.230 nan 0.000 0.433 69 L N -0.357 120.817 121.223 -0.082 0.000 2.046 69 L HA -0.189 4.151 4.340 0.000 0.000 0.208 69 L C 2.419 179.237 176.870 -0.086 0.000 1.077 69 L CA 1.548 56.334 54.840 -0.090 0.000 0.747 69 L CB -0.153 41.835 42.059 -0.117 0.000 0.896 69 L HN 0.096 nan 8.230 nan 0.000 0.432 70 V N 0.581 120.434 119.914 -0.103 0.000 2.667 70 V HA -0.073 4.047 4.120 0.000 0.000 0.252 70 V C 1.784 177.859 176.094 -0.031 0.000 1.065 70 V CA 0.992 63.250 62.300 -0.071 0.000 1.083 70 V CB -0.842 30.942 31.823 -0.064 0.000 0.692 70 V HN 0.512 nan 8.190 nan 0.000 0.468 71 A N 0.428 123.233 122.820 -0.025 0.000 3.052 71 A HA 0.579 4.899 4.320 0.000 0.000 0.266 71 A C -0.122 177.452 177.584 -0.017 0.000 1.855 71 A CA 1.074 53.104 52.037 -0.011 0.000 1.473 71 A CB -1.150 17.847 19.000 -0.005 0.000 1.038 71 A HN 0.719 nan 8.150 nan 0.000 0.619 78 I N 1.300 121.845 120.570 -0.043 0.000 2.499 78 I HA 0.663 4.833 4.170 0.000 0.000 0.288 78 I C -1.632 174.456 176.117 -0.047 0.000 1.048 78 I CA -0.943 60.324 61.300 -0.055 0.000 1.062 78 I CB 1.802 39.768 38.000 -0.057 0.000 1.238 78 I HN -0.123 nan 8.210 nan 0.000 0.426 79 V N 7.385 127.259 119.914 -0.066 0.000 2.760 79 V HA 0.355 4.475 4.120 0.000 0.000 0.309 79 V C -1.357 174.716 176.094 -0.035 0.000 1.077 79 V CA -0.684 61.587 62.300 -0.048 0.000 0.910 79 V CB 2.015 33.791 31.823 -0.078 0.000 1.008 79 V HN 0.531 nan 8.190 nan 0.000 0.424 80 Y N 4.366 124.582 120.300 -0.141 0.000 2.342 80 Y HA 0.622 5.172 4.550 0.000 0.000 0.338 80 Y C -0.281 175.541 175.900 -0.131 0.000 0.965 80 Y CA -1.489 56.526 58.100 -0.142 0.000 1.159 80 Y CB 1.740 40.163 38.460 -0.063 0.000 1.157 80 Y HN 0.349 nan 8.280 nan 0.000 0.486 81 V N 10.125 129.946 119.914 -0.154 0.000 2.284 81 V HA 0.294 4.414 4.120 0.000 0.000 0.260 81 V C -2.081 173.875 176.094 -0.230 0.000 1.084 81 V CA -1.437 60.698 62.300 -0.274 0.000 0.894 81 V CB 0.136 31.665 31.823 -0.490 0.000 1.119 81 V HN 0.630 nan 8.190 nan 0.000 0.484 82 P HA 0.332 nan 4.420 nan 0.000 0.284 82 P C -0.307 177.030 177.300 0.061 0.000 1.292 82 P CA -0.741 62.078 63.100 -0.470 0.000 0.800 82 P CB 0.979 32.246 31.700 -0.722 0.000 1.188 83 E N 1.155 121.405 120.200 0.083 0.000 2.415 83 E HA 0.118 4.468 4.350 0.000 0.000 0.263 83 E C -1.517 175.124 176.600 0.068 0.000 0.995 83 E CA -1.033 55.461 56.400 0.158 0.000 0.915 83 E CB -0.788 29.003 29.700 0.151 0.000 0.951 83 E HN 0.300 nan 8.360 nan 0.000 0.449 90 V N -0.883 118.984 119.914 -0.078 0.000 0.532 90 V HA -0.097 4.023 4.120 0.000 0.000 0.092 90 V C 1.726 177.749 176.094 -0.119 0.000 2.164 90 V CA 3.988 66.220 62.300 -0.113 0.000 3.538 90 V CB -1.628 30.127 31.823 -0.113 0.000 0.829 90 V HN 2.643 nan 8.190 nan 0.000 0.866 91 L N -2.830 118.341 121.223 -0.087 0.000 2.977 91 L HA 0.875 5.215 4.340 0.000 0.000 0.338 91 L C 1.776 178.615 176.870 -0.052 0.000 1.291 91 L CA 1.449 56.244 54.840 -0.076 0.000 0.747 91 L CB 0.277 42.289 42.059 -0.078 0.000 1.160 91 L HN 2.675 nan 8.230 nan 0.000 0.567 92 G N -0.968 107.805 108.800 -0.046 0.000 2.131 92 G HA2 0.294 4.254 3.960 0.000 0.000 0.223 92 G HA3 0.294 4.254 3.960 0.000 0.000 0.223 92 G C 0.510 175.395 174.900 -0.025 0.000 0.990 92 G CA 0.316 45.396 45.100 -0.033 0.000 0.671 92 G HN 2.535 nan 8.290 nan 0.000 0.521 93 A N 0.007 122.811 122.820 -0.027 0.000 2.425 93 A HA 0.772 5.092 4.320 0.000 0.000 0.249 93 A C 1.373 178.949 177.584 -0.013 0.000 1.084 93 A CA 1.273 53.298 52.037 -0.019 0.000 0.781 93 A CB 0.333 19.320 19.000 -0.022 0.000 1.019 93 A HN 1.965 nan 8.150 nan 0.000 0.490 94 S N 1.522 117.218 115.700 -0.006 0.000 3.613 94 S HA 0.368 4.838 4.470 0.000 0.000 0.220 94 S C 0.533 175.135 174.600 0.002 0.000 1.261 94 S CA 0.576 58.775 58.200 -0.002 0.000 1.143 94 S CB -0.754 62.448 63.200 0.002 0.000 1.315 94 S HN 1.001 nan 8.310 nan 0.000 0.450 95 E N 0.383 120.583 120.200 -0.000 0.000 2.055 95 E HA -0.152 4.198 4.350 0.000 0.000 0.251 95 E C 0.960 177.567 176.600 0.012 0.000 1.718 95 E CA 0.842 57.245 56.400 0.005 0.000 0.881 95 E CB -1.423 28.283 29.700 0.010 0.000 0.890 95 E HN 0.566 nan 8.360 nan 0.000 0.319 96 T N 3.834 118.392 114.554 0.005 0.000 2.788 96 T HA -0.113 4.237 4.350 0.000 0.000 0.268 96 T C 1.829 176.537 174.700 0.014 0.000 1.044 96 T CA 1.350 63.452 62.100 0.004 0.000 1.139 96 T CB -0.103 68.760 68.868 -0.009 0.000 0.867 96 T HN 0.504 nan 8.240 nan 0.000 0.454 97 I N 1.349 121.938 120.570 0.030 0.000 2.226 97 I HA -0.197 3.973 4.170 0.000 0.000 0.245 97 I C 2.879 179.096 176.117 0.167 0.000 1.100 97 I CA 1.061 62.414 61.300 0.089 0.000 1.374 97 I CB -0.467 37.589 38.000 0.094 0.000 1.057 97 I HN 0.193 nan 8.210 nan 0.000 0.413 98 A N 1.204 124.086 122.820 0.104 0.000 1.865 98 A HA -0.230 4.090 4.320 0.000 0.000 0.217 98 A C 2.059 179.702 177.584 0.098 0.000 1.191 98 A CA 2.071 54.170 52.037 0.102 0.000 0.623 98 A CB -0.731 18.300 19.000 0.052 0.000 0.826 98 A HN 0.422 nan 8.150 nan 0.000 0.444 99 N N 0.114 118.849 118.700 0.058 0.000 2.223 99 N HA -0.098 4.642 4.740 0.000 0.000 0.185 99 N C 1.626 177.151 175.510 0.025 0.000 1.016 99 N CA 1.411 54.486 53.050 0.041 0.000 0.863 99 N CB -0.484 38.018 38.487 0.025 0.000 0.983 99 N HN 0.598 nan 8.380 nan 0.000 0.429 100 I N -0.083 120.481 120.570 -0.009 0.000 2.142 100 I HA -0.289 3.881 4.170 0.000 0.000 0.240 100 I C 1.752 177.778 176.117 -0.151 0.000 1.078 100 I CA 1.252 62.480 61.300 -0.119 0.000 1.343 100 I CB -0.307 37.549 38.000 -0.241 0.000 1.046 100 I HN 0.055 nan 8.210 nan 0.000 0.405 101 Y N 0.513 120.826 120.300 0.022 0.000 2.293 101 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 101 Y C 2.824 178.757 175.900 0.055 0.000 1.137 101 Y CA 1.547 59.666 58.100 0.032 0.000 1.202 101 Y CB -0.693 37.773 38.460 0.008 0.000 0.990 101 Y HN 0.113 nan 8.280 nan 0.000 0.537 102 T N -1.083 113.572 114.554 0.168 0.000 2.777 102 T HA -0.155 4.195 4.350 0.000 0.000 0.266 102 T C 1.921 176.700 174.700 0.131 0.000 1.040 102 T CA 1.895 64.081 62.100 0.143 0.000 1.141 102 T CB -0.507 68.421 68.868 0.099 0.000 0.868 102 T HN 0.340 nan 8.240 nan 0.000 0.444 103 T N 1.801 116.401 114.554 0.077 0.000 2.684 103 T HA -0.182 4.169 4.350 0.000 0.000 0.267 103 T C 2.099 176.829 174.700 0.050 0.000 1.036 103 T CA 1.599 63.728 62.100 0.049 0.000 1.148 103 T CB -0.353 68.529 68.868 0.023 0.000 0.863 103 T HN 0.294 nan 8.240 nan 0.000 0.436 104 Q N 0.238 120.068 119.800 0.050 0.000 2.084 104 Q HA -0.159 4.181 4.340 0.000 0.000 0.202 104 Q C 1.985 178.039 176.000 0.090 0.000 0.978 104 Q CA 1.854 57.688 55.803 0.050 0.000 0.844 104 Q CB -0.422 28.338 28.738 0.036 0.000 0.898 104 Q HN 0.721 nan 8.270 nan 0.000 0.426 105 H N -0.270 118.827 119.070 0.045 0.000 2.321 105 H HA -0.034 4.522 4.556 0.000 0.000 0.300 105 H C 1.648 176.992 175.328 0.027 0.000 1.087 105 H CA 1.965 58.039 56.048 0.044 0.000 1.319 105 H CB 0.165 29.962 29.762 0.058 0.000 1.379 105 H HN 0.081 nan 8.280 nan 0.000 0.501 106 R N 0.079 120.580 120.500 0.002 0.000 2.091 106 R HA -0.106 4.234 4.340 0.000 0.000 0.238 106 R C 2.461 178.718 176.300 -0.072 0.000 1.136 106 R CA 1.116 57.182 56.100 -0.055 0.000 0.959 106 R CB -1.261 29.047 30.300 0.013 0.000 0.856 106 R HN 0.388 nan 8.270 nan 0.000 0.437 107 L N 1.698 122.898 121.223 -0.037 0.000 2.017 107 L HA -0.137 4.203 4.340 0.000 0.000 0.208 107 L C 1.371 178.206 176.870 -0.058 0.000 1.073 107 L CA 1.974 56.793 54.840 -0.036 0.000 0.745 107 L CB -0.631 41.419 42.059 -0.015 0.000 0.894 107 L HN 0.030 nan 8.230 nan 0.000 0.432 108 D N -0.769 119.590 120.400 -0.069 0.000 2.221 108 D HA -0.214 4.426 4.640 0.000 0.000 0.204 108 D C 2.035 178.272 176.300 -0.105 0.000 0.982 108 D CA 1.063 55.020 54.000 -0.072 0.000 0.857 108 D CB 0.043 40.816 40.800 -0.045 0.000 0.934 108 D HN 0.483 nan 8.370 nan 0.000 0.475 109 Q N -0.827 118.874 119.800 -0.166 0.000 2.360 109 Q HA 0.223 4.563 4.340 0.000 0.000 0.202 109 Q C 0.896 176.842 176.000 -0.090 0.000 0.915 109 Q CA 0.499 56.210 55.803 -0.153 0.000 0.943 109 Q CB 0.530 29.124 28.738 -0.239 0.000 1.064 109 Q HN 0.266 nan 8.270 nan 0.000 0.511 110 G N 0.533 109.291 108.800 -0.071 0.000 2.176 110 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 110 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 110 G C 0.394 175.271 174.900 -0.039 0.000 1.024 110 G CA 0.582 45.654 45.100 -0.046 0.000 0.755 110 G HN 0.485 nan 8.290 nan 0.000 0.507 111 E N -0.860 119.312 120.200 -0.047 0.000 2.250 111 E HA 0.224 4.574 4.350 0.000 0.000 0.192 111 E C 1.527 178.117 176.600 -0.017 0.000 0.986 111 E CA 1.082 57.464 56.400 -0.031 0.000 0.849 111 E CB 0.242 29.921 29.700 -0.034 0.000 0.797 111 E HN 0.905 nan 8.360 nan 0.000 0.482 112 I N -2.720 117.839 120.570 -0.017 0.000 3.174 112 I HA 0.404 4.574 4.170 0.000 0.000 0.313 112 I C -0.052 176.060 176.117 -0.009 0.000 1.155 112 I CA -1.293 60.003 61.300 -0.007 0.000 0.977 112 I CB 2.004 40.004 38.000 -0.000 0.000 1.248 112 I HN -0.241 nan 8.210 nan 0.000 0.453 113 S N 2.257 117.955 115.700 -0.003 0.000 2.669 113 S HA 0.630 5.100 4.470 0.000 0.000 0.270 113 S C 1.220 175.820 174.600 0.000 0.000 1.225 113 S CA -0.049 58.150 58.200 -0.002 0.000 0.991 113 S CB 1.574 64.775 63.200 0.001 0.000 0.987 113 S HN 1.072 nan 8.310 nan 0.000 0.552 114 A N 2.032 124.852 122.820 -0.000 0.000 1.892 114 A HA 0.037 4.357 4.320 0.000 0.000 0.218 114 A C 2.230 179.822 177.584 0.013 0.000 1.188 114 A CA 2.176 54.216 52.037 0.004 0.000 0.631 114 A CB -1.995 17.007 19.000 0.003 0.000 0.822 114 A HN 1.268 nan 8.150 nan 0.000 0.447 115 G N -0.549 108.259 108.800 0.013 0.000 2.440 115 G HA2 -0.260 3.700 3.960 0.000 0.000 0.218 115 G HA3 -0.260 3.700 3.960 0.000 0.000 0.218 115 G C 1.168 176.078 174.900 0.017 0.000 1.154 115 G CA 1.308 46.418 45.100 0.017 0.000 0.767 115 G HN 0.475 nan 8.290 nan 0.000 0.552 116 D N 0.871 121.279 120.400 0.014 0.000 2.117 116 D HA 0.008 4.648 4.640 0.000 0.000 0.198 116 D C 2.832 179.143 176.300 0.018 0.000 0.982 116 D CA 1.167 55.176 54.000 0.015 0.000 0.828 116 D CB -0.485 40.321 40.800 0.011 0.000 0.967 116 D HN 0.291 nan 8.370 nan 0.000 0.464 117 A N 1.054 123.884 122.820 0.017 0.000 1.902 117 A HA -0.083 4.237 4.320 0.000 0.000 0.217 117 A C 2.314 179.915 177.584 0.029 0.000 1.181 117 A CA 2.303 54.352 52.037 0.019 0.000 0.623 117 A CB -0.783 18.224 19.000 0.013 0.000 0.818 117 A HN 0.234 nan 8.150 nan 0.000 0.443 118 A N -0.027 122.813 122.820 0.033 0.000 1.902 118 A HA -0.038 4.282 4.320 0.000 0.000 0.217 118 A C 2.358 179.972 177.584 0.050 0.000 1.181 118 A CA 2.354 54.419 52.037 0.047 0.000 0.623 118 A CB -1.290 17.736 19.000 0.044 0.000 0.818 118 A HN 1.209 nan 8.150 nan 0.000 0.443 119 V N -2.517 117.419 119.914 0.038 0.000 2.427 119 V HA -0.141 3.979 4.120 0.000 0.000 0.248 119 V C 2.143 178.265 176.094 0.047 0.000 1.051 119 V CA 2.078 64.401 62.300 0.039 0.000 1.048 119 V CB -1.197 30.643 31.823 0.027 0.000 0.666 119 V HN 0.196 nan 8.190 nan 0.000 0.456 120 V N -0.099 119.840 119.914 0.040 0.000 2.307 120 V HA -0.182 3.938 4.120 0.000 0.000 0.245 120 V C 2.810 178.933 176.094 0.048 0.000 1.045 120 V CA 2.440 64.763 62.300 0.038 0.000 1.024 120 V CB -0.631 31.208 31.823 0.027 0.000 0.651 120 V HN 0.401 nan 8.190 nan 0.000 0.449 121 M N -0.226 119.405 119.600 0.053 0.000 2.117 121 M HA -0.130 4.350 4.480 0.000 0.000 0.262 121 M C 2.251 178.628 176.300 0.128 0.000 1.065 121 M CA 1.911 57.251 55.300 0.067 0.000 1.114 121 M CB -1.746 30.896 32.600 0.070 0.000 1.361 121 M HN 0.399 nan 8.290 nan 0.000 0.408 122 T N 0.614 115.265 114.554 0.161 0.000 2.701 122 T HA -0.082 4.268 4.350 0.000 0.000 0.263 122 T C 2.093 176.951 174.700 0.264 0.000 1.040 122 T CA 1.890 64.152 62.100 0.270 0.000 1.147 122 T CB -0.236 68.717 68.868 0.142 0.000 0.865 122 T HN 0.357 nan 8.240 nan 0.000 0.426 123 S N 1.594 117.382 115.700 0.146 0.000 2.370 123 S HA -0.091 4.380 4.470 0.000 0.000 0.226 123 S C 2.569 177.223 174.600 0.091 0.000 1.033 123 S CA 1.035 59.303 58.200 0.113 0.000 1.011 123 S CB -0.638 62.602 63.200 0.068 0.000 0.852 123 S HN 0.586 nan 8.310 nan 0.000 0.457 124 A N 1.457 124.317 122.820 0.067 0.000 1.902 124 A HA -0.150 4.170 4.320 0.000 0.000 0.217 124 A C 2.174 179.763 177.584 0.007 0.000 1.181 124 A CA 1.264 53.318 52.037 0.028 0.000 0.623 124 A CB -0.552 18.453 19.000 0.008 0.000 0.818 124 A HN 0.344 nan 8.150 nan 0.000 0.443 125 Q N -0.568 119.239 119.800 0.011 0.000 2.167 125 Q HA -0.077 4.263 4.340 0.000 0.000 0.202 125 Q C 2.112 178.019 176.000 -0.155 0.000 0.970 125 Q CA 0.779 56.513 55.803 -0.116 0.000 0.855 125 Q CB -0.384 28.212 28.738 -0.238 0.000 0.911 125 Q HN 0.642 nan 8.270 nan 0.000 0.438 126 I N 0.597 121.169 120.570 0.003 0.000 2.179 126 I HA -0.244 3.926 4.170 0.000 0.000 0.242 126 I C 1.930 178.059 176.117 0.020 0.000 1.088 126 I CA 1.430 62.767 61.300 0.063 0.000 1.357 126 I CB -0.962 37.143 38.000 0.175 0.000 1.051 126 I HN 0.195 nan 8.210 nan 0.000 0.409 127 T N 1.006 115.569 114.554 0.015 0.000 2.708 127 T HA -0.169 4.181 4.350 0.000 0.000 0.266 127 T C 1.951 176.636 174.700 -0.024 0.000 1.037 127 T CA 1.211 63.309 62.100 -0.004 0.000 1.146 127 T CB -0.098 68.769 68.868 -0.001 0.000 0.865 127 T HN 0.135 nan 8.240 nan 0.000 0.435 128 M N 1.044 120.629 119.600 -0.023 0.000 2.159 128 M HA 0.017 4.497 4.480 0.000 0.000 0.263 128 M C 2.732 179.070 176.300 0.063 0.000 1.063 128 M CA 1.382 56.681 55.300 -0.002 0.000 1.110 128 M CB -1.669 30.919 32.600 -0.019 0.000 1.374 128 M HN 0.398 nan 8.290 nan 0.000 0.411 129 G N -0.457 108.372 108.800 0.048 0.000 2.421 129 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 129 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 129 G C 1.645 176.586 174.900 0.068 0.000 1.143 129 G CA 0.551 45.735 45.100 0.141 0.000 0.784 129 G HN 0.402 nan 8.290 nan 0.000 0.541 130 M N 1.090 120.678 119.600 -0.020 0.000 2.088 130 M HA -0.103 4.377 4.480 0.000 0.000 0.256 130 M C -0.328 175.929 176.300 -0.071 0.000 1.071 130 M CA 2.104 57.385 55.300 -0.030 0.000 1.097 130 M CB -0.692 31.892 32.600 -0.026 0.000 1.315 130 M HN 0.100 nan 8.290 nan 0.000 0.406 131 P HA -0.166 nan 4.420 nan 0.000 0.215 131 P C 0.775 177.995 177.300 -0.132 0.000 1.157 131 P CA 1.683 64.676 63.100 -0.178 0.000 0.874 131 P CB -0.392 31.087 31.700 -0.367 0.000 0.790 132 Y N -0.314 120.029 120.300 0.072 0.000 2.200 132 Y HA -0.043 4.507 4.550 0.000 0.000 0.290 132 Y C 2.611 178.477 175.900 -0.057 0.000 1.137 132 Y CA 0.874 58.972 58.100 -0.003 0.000 1.163 132 Y CB -1.847 36.591 38.460 -0.036 0.000 0.988 132 Y HN -0.101 nan 8.280 nan 0.000 0.518 133 A N -0.179 122.701 122.820 0.099 0.000 1.873 133 A HA -0.128 4.192 4.320 0.000 0.000 0.215 133 A C 2.470 180.072 177.584 0.031 0.000 1.186 133 A CA 1.754 53.815 52.037 0.040 0.000 0.616 133 A CB -1.295 17.732 19.000 0.044 0.000 0.823 133 A HN 0.274 nan 8.150 nan 0.000 0.442 134 V N -0.208 119.730 119.914 0.041 0.000 2.407 134 V HA -0.220 3.900 4.120 0.000 0.000 0.248 134 V C 2.714 178.845 176.094 0.062 0.000 1.055 134 V CA 2.753 65.085 62.300 0.054 0.000 1.049 134 V CB -0.789 31.072 31.823 0.063 0.000 0.662 134 V HN 0.660 nan 8.190 nan 0.000 0.455 135 T N -0.659 113.929 114.554 0.057 0.000 2.674 135 T HA -0.241 4.109 4.350 0.000 0.000 0.265 135 T C 1.606 176.318 174.700 0.021 0.000 1.039 135 T CA 2.062 64.177 62.100 0.024 0.000 1.150 135 T CB -0.378 68.466 68.868 -0.039 0.000 0.864 135 T HN 0.706 nan 8.240 nan 0.000 0.427 136 D N 0.657 121.047 120.400 -0.016 0.000 2.104 136 D HA -0.063 4.577 4.640 0.000 0.000 0.194 136 D C 2.222 178.532 176.300 0.017 0.000 0.994 136 D CA 1.184 55.163 54.000 -0.036 0.000 0.830 136 D CB -0.218 40.519 40.800 -0.105 0.000 0.959 136 D HN 0.349 nan 8.370 nan 0.000 0.452 137 A N 0.036 122.871 122.820 0.025 0.000 1.902 137 A HA -0.131 4.189 4.320 0.000 0.000 0.217 137 A C 2.471 180.093 177.584 0.063 0.000 1.181 137 A CA 2.104 54.165 52.037 0.039 0.000 0.623 137 A CB -1.047 17.974 19.000 0.036 0.000 0.818 137 A HN 0.358 nan 8.150 nan 0.000 0.443 138 V N -3.235 116.725 119.914 0.078 0.000 2.719 138 V HA -0.043 4.077 4.120 0.000 0.000 0.252 138 V C 2.058 178.256 176.094 0.173 0.000 1.065 138 V CA 1.421 63.788 62.300 0.111 0.000 1.086 138 V CB -0.656 31.230 31.823 0.105 0.000 0.700 138 V HN 0.227 nan 8.190 nan 0.000 0.467 139 L N 1.188 122.500 121.223 0.149 0.000 2.109 139 L HA 0.251 4.591 4.340 0.000 0.000 0.207 139 L C 2.890 179.888 176.870 0.213 0.000 1.086 139 L CA 1.802 56.758 54.840 0.193 0.000 0.760 139 L CB -1.623 40.531 42.059 0.158 0.000 0.910 139 L HN 0.392 nan 8.230 nan 0.000 0.437 140 A N 1.041 123.942 122.820 0.134 0.000 1.896 140 A HA -0.203 4.117 4.320 0.000 0.000 0.220 140 A C -0.011 177.622 177.584 0.082 0.000 1.206 140 A CA 2.342 54.439 52.037 0.099 0.000 0.647 140 A CB -2.182 16.855 19.000 0.060 0.000 0.828 140 A HN 0.404 nan 8.150 nan 0.000 0.455 141 P HA -0.182 nan 4.420 nan 0.000 0.218 141 P C 0.728 177.950 177.300 -0.130 0.000 1.146 141 P CA 1.449 64.509 63.100 -0.068 0.000 0.813 141 P CB -0.470 31.144 31.700 -0.143 0.000 0.778 142 H N -1.138 117.964 119.070 0.055 0.000 2.551 142 H HA 0.102 4.658 4.556 0.000 0.000 0.266 142 H C 0.816 176.187 175.328 0.071 0.000 0.977 142 H CA 0.131 56.215 56.048 0.060 0.000 1.163 142 H CB 0.266 30.064 29.762 0.061 0.000 1.381 142 H HN 0.124 nan 8.280 nan 0.000 0.581 143 I N 1.653 122.322 120.570 0.165 0.000 2.342 143 I HA 0.181 4.351 4.170 0.000 0.000 0.291 143 I C 1.261 177.446 176.117 0.113 0.000 1.010 143 I CA -0.061 61.324 61.300 0.142 0.000 1.308 143 I CB 0.956 39.038 38.000 0.137 0.000 1.400 143 I HN 0.039 nan 8.210 nan 0.000 0.488 144 G N 4.265 113.140 108.800 0.125 0.000 2.857 144 G HA2 0.634 4.594 3.960 0.000 0.000 0.217 144 G HA3 0.634 4.594 3.960 0.000 0.000 0.217 144 G C 0.073 175.048 174.900 0.125 0.000 1.357 144 G CA -0.577 44.596 45.100 0.121 0.000 1.033 144 G HN 0.704 nan 8.290 nan 0.000 0.571 145 G N -1.104 107.780 108.800 0.140 0.000 2.572 145 G HA2 0.428 4.388 3.960 0.000 0.000 0.261 145 G HA3 0.428 4.388 3.960 0.000 0.000 0.261 145 G C -0.111 174.868 174.900 0.132 0.000 1.197 145 G CA -0.388 44.791 45.100 0.131 0.000 0.870 145 G HN 0.534 nan 8.290 nan 0.000 0.548 146 E N -0.268 119.990 120.200 0.097 0.000 2.465 146 E HA 0.220 4.570 4.350 0.000 0.000 0.260 146 E C 0.899 177.508 176.600 0.015 0.000 0.980 146 E CA 0.231 56.661 56.400 0.050 0.000 0.927 146 E CB 1.056 30.793 29.700 0.062 0.000 0.934 146 E HN 0.479 nan 8.360 nan 0.000 0.459 147 A N 3.597 126.336 122.820 -0.135 0.000 2.383 147 A HA 0.532 4.852 4.320 0.000 0.000 0.225 147 A C 0.754 178.293 177.584 -0.075 0.000 1.946 147 A CA 0.894 52.791 52.037 -0.234 0.000 0.739 147 A CB -0.009 18.610 19.000 -0.634 0.000 1.405 147 A HN 0.651 nan 8.150 nan 0.000 0.548 154 P HA 0.324 nan 4.420 nan 0.000 0.274 154 P C -2.508 174.781 177.300 -0.018 0.000 1.237 154 P CA -0.961 62.128 63.100 -0.019 0.000 0.793 154 P CB -0.442 31.247 31.700 -0.019 0.000 0.977 155 P HA 0.015 nan 4.420 nan 0.000 0.265 155 P C 0.491 177.782 177.300 -0.016 0.000 1.193 155 P CA -0.021 63.064 63.100 -0.025 0.000 0.765 155 P CB 0.549 32.228 31.700 -0.035 0.000 0.823 156 A N 3.336 126.153 122.820 -0.005 0.000 2.019 156 A HA -0.032 4.288 4.320 0.000 0.000 0.219 156 A C 0.867 178.443 177.584 -0.013 0.000 1.164 156 A CA 1.304 53.339 52.037 -0.002 0.000 0.644 156 A CB -0.517 18.489 19.000 0.011 0.000 0.805 156 A HN 0.542 nan 8.150 nan 0.000 0.449 157 L N -1.588 119.624 121.223 -0.019 0.000 2.526 157 L HA 0.481 4.821 4.340 0.000 0.000 0.263 157 L C -1.194 175.650 176.870 -0.043 0.000 0.943 157 L CA 0.092 54.913 54.840 -0.032 0.000 0.859 157 L CB 2.214 44.254 42.059 -0.030 0.000 1.313 157 L HN -0.064 nan 8.230 nan 0.000 0.406 158 T N 5.787 120.304 114.554 -0.061 0.000 2.770 158 T HA 0.589 4.939 4.350 0.000 0.000 0.283 158 T C -0.438 174.187 174.700 -0.125 0.000 0.988 158 T CA -0.249 61.803 62.100 -0.080 0.000 0.957 158 T CB 0.705 69.525 68.868 -0.080 0.000 0.930 158 T HN 0.407 nan 8.240 nan 0.000 0.443 159 L N 4.680 125.804 121.223 -0.165 0.000 2.265 159 L HA 0.552 4.892 4.340 0.000 0.000 0.289 159 L C -0.292 176.333 176.870 -0.409 0.000 1.033 159 L CA -0.750 53.881 54.840 -0.350 0.000 0.814 159 L CB 1.051 42.831 42.059 -0.464 0.000 1.203 159 L HN 0.517 nan 8.230 nan 0.000 0.423 160 I N 3.461 123.811 120.570 -0.366 0.000 2.321 160 I HA 0.309 4.479 4.170 0.000 0.000 0.291 160 I C -0.556 175.417 176.117 -0.239 0.000 0.998 160 I CA -0.268 60.891 61.300 -0.235 0.000 1.227 160 I CB 0.981 38.885 38.000 -0.160 0.000 1.368 160 I HN 0.340 nan 8.210 nan 0.000 0.466 161 F N 3.405 123.330 119.950 -0.041 0.000 2.422 161 F HA 0.227 4.754 4.527 -0.000 0.000 0.333 161 F C 0.516 176.455 175.800 0.232 0.000 1.095 161 F CA -0.652 57.378 58.000 0.049 0.000 1.038 161 F CB 1.084 40.013 39.000 -0.118 0.000 1.156 161 F HN 0.411 nan 8.300 nan 0.000 0.483 162 D N 3.842 124.547 120.400 0.508 0.000 2.422 162 D HA 0.377 5.017 4.640 0.000 0.000 0.227 162 D C -0.505 176.040 176.300 0.409 0.000 1.190 162 D CA 0.270 54.542 54.000 0.454 0.000 0.905 162 D CB 0.069 41.119 40.800 0.417 0.000 1.034 162 D HN 0.472 nan 8.370 nan 0.000 0.507 163 R N 1.313 122.008 120.500 0.326 0.000 3.415 163 R HA -0.169 4.171 4.340 0.000 0.000 0.423 163 R C -0.935 175.487 176.300 0.203 0.000 0.781 163 R CA -0.198 55.993 56.100 0.152 0.000 1.292 163 R CB -0.615 29.560 30.300 -0.209 0.000 2.124 163 R HN 0.642 nan 8.270 nan 0.000 0.482 164 H N 2.537 121.573 119.070 -0.056 0.000 2.573 164 H HA 0.257 4.813 4.556 0.000 0.000 0.351 164 H C -1.837 173.325 175.328 -0.276 0.000 1.163 164 H CA -2.123 53.786 56.048 -0.232 0.000 1.205 164 H CB 2.039 31.572 29.762 -0.381 0.000 1.605 164 H HN 0.209 nan 8.280 nan 0.000 0.525 165 P HA -0.175 nan 4.420 nan 0.000 0.218 165 P C 1.629 178.905 177.300 -0.040 0.000 1.146 165 P CA 1.689 64.640 63.100 -0.249 0.000 0.820 165 P CB -0.194 31.319 31.700 -0.311 0.000 0.778 166 I N -4.187 116.503 120.570 0.201 0.000 2.567 166 I HA -0.125 4.045 4.170 0.000 0.000 0.257 166 I C 2.011 178.159 176.117 0.053 0.000 1.184 166 I CA 1.353 62.719 61.300 0.111 0.000 1.451 166 I CB -1.034 37.009 38.000 0.072 0.000 1.089 166 I HN -0.184 nan 8.210 nan 0.000 0.441 167 A N 1.682 124.546 122.820 0.073 0.000 1.877 167 A HA 0.001 4.321 4.320 0.000 0.000 0.216 167 A C 2.512 180.195 177.584 0.166 0.000 1.186 167 A CA 2.066 54.212 52.037 0.182 0.000 0.620 167 A CB -0.933 18.173 19.000 0.177 0.000 0.822 167 A HN 0.593 nan 8.150 nan 0.000 0.443 168 A N -1.443 121.383 122.820 0.010 0.000 2.081 168 A HA 0.406 4.726 4.320 0.000 0.000 0.214 168 A C 1.783 179.254 177.584 -0.188 0.000 1.158 168 A CA 0.639 52.653 52.037 -0.039 0.000 0.724 168 A CB -0.191 18.813 19.000 0.006 0.000 0.826 168 A HN 0.405 nan 8.150 nan 0.000 0.463 169 L N -1.242 119.909 121.223 -0.120 0.000 2.640 169 L HA 0.253 4.593 4.340 0.000 0.000 0.230 169 L C 1.535 178.412 176.870 0.011 0.000 1.123 169 L CA 0.140 54.905 54.840 -0.125 0.000 0.900 169 L CB 0.670 42.722 42.059 -0.011 0.000 1.146 169 L HN 0.461 nan 8.230 nan 0.000 0.484 170 L N -3.090 118.134 121.223 0.002 0.000 2.186 170 L HA 0.135 4.475 4.340 0.000 0.000 0.182 170 L C 1.831 178.684 176.870 -0.030 0.000 1.190 170 L CA 0.977 55.827 54.840 0.017 0.000 1.051 170 L CB -0.252 41.794 42.059 -0.022 0.000 2.162 170 L HN -0.068 nan 8.230 nan 0.000 0.494 171 C N -0.139 119.097 119.300 -0.106 0.000 2.508 171 C HA -0.033 4.427 4.460 0.000 0.000 0.280 171 C C 2.495 177.343 174.990 -0.236 0.000 1.262 171 C CA 0.997 59.832 59.018 -0.305 0.000 1.706 171 C CB -0.997 26.345 27.740 -0.664 0.000 2.078 171 C HN 0.630 nan 8.230 nan 0.000 0.480 172 Y N 1.476 121.751 120.300 -0.041 0.000 2.181 172 Y HA -0.093 4.457 4.550 0.000 0.000 0.288 172 Y C 0.001 175.904 175.900 0.005 0.000 1.146 172 Y CA 1.922 60.025 58.100 0.004 0.000 1.164 172 Y CB -2.050 36.414 38.460 0.008 0.000 0.982 172 Y HN 0.318 nan 8.280 nan 0.000 0.515 173 P HA -0.221 nan 4.420 nan 0.000 0.215 173 P C 1.387 178.776 177.300 0.149 0.000 1.153 173 P CA 2.398 65.597 63.100 0.165 0.000 0.853 173 P CB -0.151 31.694 31.700 0.241 0.000 0.788 174 A N -0.323 122.548 122.820 0.085 0.000 1.969 174 A HA -0.052 4.268 4.320 0.000 0.000 0.218 174 A C 2.280 179.892 177.584 0.046 0.000 1.169 174 A CA 1.894 53.968 52.037 0.062 0.000 0.635 174 A CB -1.481 17.503 19.000 -0.026 0.000 0.810 174 A HN 0.200 nan 8.150 nan 0.000 0.445 175 A N -0.524 122.281 122.820 -0.024 0.000 1.929 175 A HA -0.071 4.249 4.320 0.000 0.000 0.216 175 A C 2.168 179.750 177.584 -0.004 0.000 1.176 175 A CA 1.125 53.134 52.037 -0.047 0.000 0.628 175 A CB -0.357 18.574 19.000 -0.114 0.000 0.816 175 A HN 0.345 nan 8.150 nan 0.000 0.444 176 R N -1.325 119.202 120.500 0.046 0.000 2.096 176 R HA -0.139 4.201 4.340 0.000 0.000 0.235 176 R C 1.964 178.292 176.300 0.047 0.000 1.127 176 R CA 1.576 57.705 56.100 0.048 0.000 0.968 176 R CB -1.212 29.134 30.300 0.077 0.000 0.861 176 R HN 0.752 nan 8.270 nan 0.000 0.440 177 Y N 1.721 122.012 120.300 -0.016 0.000 2.097 177 Y HA -0.189 4.361 4.550 0.000 0.000 0.282 177 Y C 2.063 177.925 175.900 -0.062 0.000 1.152 177 Y CA 1.508 59.584 58.100 -0.040 0.000 1.136 177 Y CB -0.651 37.769 38.460 -0.067 0.000 0.975 177 Y HN -0.070 nan 8.280 nan 0.000 0.498 178 L N -0.207 120.798 121.223 -0.362 0.000 2.261 178 L HA -0.235 4.105 4.340 0.000 0.000 0.216 178 L C 1.881 178.586 176.870 -0.274 0.000 1.114 178 L CA 0.926 55.525 54.840 -0.402 0.000 0.777 178 L CB -0.436 41.505 42.059 -0.197 0.000 0.910 178 L HN 0.363 nan 8.230 nan 0.000 0.440 179 M N -0.913 118.581 119.600 -0.176 0.000 2.495 179 M HA 0.199 4.679 4.480 0.000 0.000 0.237 179 M C 1.501 177.737 176.300 -0.106 0.000 1.131 179 M CA 0.630 55.866 55.300 -0.106 0.000 1.032 179 M CB -0.418 32.154 32.600 -0.046 0.000 1.513 179 M HN 0.339 nan 8.290 nan 0.000 0.488 180 G N 0.991 109.693 108.800 -0.163 0.000 2.155 180 G HA2 -0.259 3.701 3.960 0.000 0.000 0.257 180 G HA3 -0.259 3.701 3.960 0.000 0.000 0.257 180 G C 0.664 175.539 174.900 -0.041 0.000 0.983 180 G CA 0.739 45.768 45.100 -0.118 0.000 0.676 180 G HN 0.567 nan 8.290 nan 0.000 0.528 181 S N -1.616 114.075 115.700 -0.015 0.000 2.593 181 S HA 0.693 5.163 4.470 0.000 0.000 0.236 181 S C 0.255 174.889 174.600 0.057 0.000 0.991 181 S CA 0.580 58.790 58.200 0.017 0.000 0.963 181 S CB 0.489 63.694 63.200 0.009 0.000 0.865 181 S HN 0.906 nan 8.310 nan 0.000 0.488 182 M N 2.473 122.129 119.600 0.095 0.000 2.421 182 M HA 0.408 4.888 4.480 0.000 0.000 0.287 182 M C -0.846 175.566 176.300 0.187 0.000 1.183 182 M CA -0.273 55.110 55.300 0.138 0.000 0.916 182 M CB 2.161 34.866 32.600 0.175 0.000 1.701 182 M HN 0.246 nan 8.290 nan 0.000 0.470 183 T N 1.030 115.658 114.554 0.123 0.000 2.898 183 T HA 0.410 4.760 4.350 0.000 0.000 0.301 183 T C -2.078 172.639 174.700 0.029 0.000 1.049 183 T CA -1.205 60.953 62.100 0.097 0.000 1.095 183 T CB 0.502 69.388 68.868 0.031 0.000 0.976 183 T HN 0.576 nan 8.240 nan 0.000 0.539 184 P HA -0.070 nan 4.420 nan 0.000 0.221 184 P C 1.213 178.405 177.300 -0.181 0.000 1.150 184 P CA 0.964 63.872 63.100 -0.319 0.000 0.800 184 P CB 0.123 31.494 31.700 -0.547 0.000 0.787 185 Q N 0.335 120.021 119.800 -0.189 0.000 2.124 185 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 185 Q C 2.435 178.400 176.000 -0.059 0.000 0.977 185 Q CA 2.087 57.818 55.803 -0.119 0.000 0.850 185 Q CB -1.174 27.555 28.738 -0.014 0.000 0.901 185 Q HN 0.226 nan 8.270 nan 0.000 0.429 186 A N 0.030 122.801 122.820 -0.082 0.000 1.898 186 A HA -0.118 4.202 4.320 0.000 0.000 0.216 186 A C 2.321 179.786 177.584 -0.199 0.000 1.181 186 A CA 1.267 53.194 52.037 -0.184 0.000 0.620 186 A CB -0.771 18.147 19.000 -0.136 0.000 0.819 186 A HN 0.214 nan 8.150 nan 0.000 0.442 187 V N 0.305 120.228 119.914 0.016 0.000 2.282 187 V HA -0.291 3.829 4.120 0.000 0.000 0.249 187 V C 2.534 178.682 176.094 0.089 0.000 1.057 187 V CA 2.115 64.518 62.300 0.172 0.000 1.032 187 V CB -0.782 31.161 31.823 0.200 0.000 0.645 187 V HN 0.576 nan 8.190 nan 0.000 0.447 188 L N -0.220 120.992 121.223 -0.019 0.000 2.201 188 L HA -0.086 4.254 4.340 0.000 0.000 0.212 188 L C 2.654 179.501 176.870 -0.039 0.000 1.105 188 L CA 1.101 55.885 54.840 -0.093 0.000 0.775 188 L CB -0.716 41.264 42.059 -0.132 0.000 0.913 188 L HN 0.369 nan 8.230 nan 0.000 0.440 189 A N 0.054 122.825 122.820 -0.080 0.000 1.933 189 A HA -0.187 4.133 4.320 0.000 0.000 0.218 189 A C 2.079 179.611 177.584 -0.085 0.000 1.175 189 A CA 1.355 53.316 52.037 -0.127 0.000 0.628 189 A CB -0.725 18.129 19.000 -0.242 0.000 0.814 189 A HN 0.339 nan 8.150 nan 0.000 0.444 190 F N -0.418 119.543 119.950 0.019 0.000 2.146 190 F HA -0.145 4.382 4.527 0.000 0.000 0.298 190 F C 2.410 178.212 175.800 0.003 0.000 1.096 190 F CA 0.898 58.909 58.000 0.020 0.000 1.275 190 F CB -0.202 38.818 39.000 0.033 0.000 1.008 190 F HN 0.028 nan 8.300 nan 0.000 0.480 191 V N 0.272 120.282 119.914 0.159 0.000 2.332 191 V HA -0.357 3.763 4.120 0.000 0.000 0.248 191 V C 2.536 178.652 176.094 0.037 0.000 1.055 191 V CA 1.901 64.230 62.300 0.049 0.000 1.038 191 V CB -1.254 30.528 31.823 -0.067 0.000 0.651 191 V HN 0.383 nan 8.190 nan 0.000 0.450 192 A N -0.714 122.125 122.820 0.032 0.000 2.125 192 A HA -0.070 4.250 4.320 0.000 0.000 0.219 192 A C 2.025 179.636 177.584 0.045 0.000 1.156 192 A CA 1.427 53.482 52.037 0.030 0.000 0.671 192 A CB -0.433 18.582 19.000 0.024 0.000 0.794 192 A HN 0.569 nan 8.150 nan 0.000 0.459 193 L N -0.570 120.700 121.223 0.078 0.000 2.607 193 L HA 0.273 4.613 4.340 0.000 0.000 0.228 193 L C -0.025 176.891 176.870 0.076 0.000 1.123 193 L CA -0.383 54.509 54.840 0.087 0.000 0.890 193 L CB -0.059 42.080 42.059 0.135 0.000 1.103 193 L HN 0.222 nan 8.230 nan 0.000 0.468 194 I N 2.138 122.748 120.570 0.067 0.000 2.668 194 I HA 0.014 4.184 4.170 0.000 0.000 0.285 194 I C -1.800 174.338 176.117 0.035 0.000 1.168 194 I CA -1.512 59.818 61.300 0.049 0.000 1.424 194 I CB 0.244 38.271 38.000 0.044 0.000 1.377 194 I HN -0.154 nan 8.210 nan 0.000 0.560 195 P HA 0.117 nan 4.420 nan 0.000 0.269 195 P C -2.441 174.872 177.300 0.022 0.000 1.215 195 P CA -1.033 62.076 63.100 0.015 0.000 0.780 195 P CB -0.253 31.443 31.700 -0.007 0.000 0.898 196 P HA -0.001 nan 4.420 nan 0.000 0.264 196 P C -0.346 176.972 177.300 0.029 0.000 1.183 196 P CA 0.558 63.672 63.100 0.024 0.000 0.763 196 P CB -0.091 31.622 31.700 0.022 0.000 0.807 197 T N 4.915 119.485 114.554 0.025 0.000 2.752 197 T HA 0.165 4.515 4.350 0.000 0.000 0.295 197 T C 0.567 175.288 174.700 0.034 0.000 0.923 197 T CA -0.260 61.854 62.100 0.024 0.000 1.112 197 T CB -0.169 68.689 68.868 -0.016 0.000 0.884 197 T HN 0.084 nan 8.240 nan 0.000 0.525 198 L N 5.417 126.676 121.223 0.059 0.000 2.476 198 L HA 0.363 4.703 4.340 0.000 0.000 0.255 198 L C -1.748 175.178 176.870 0.094 0.000 1.218 198 L CA -2.378 52.510 54.840 0.079 0.000 0.819 198 L CB -0.747 41.374 42.059 0.103 0.000 1.119 198 L HN 0.381 nan 8.230 nan 0.000 0.485 199 P HA 0.195 nan 4.420 nan 0.000 0.269 199 P C 0.292 177.700 177.300 0.181 0.000 1.215 199 P CA 0.327 63.511 63.100 0.139 0.000 0.780 199 P CB 0.418 32.190 31.700 0.121 0.000 0.898 200 G N 1.164 110.115 108.800 0.252 0.000 2.249 200 G HA2 -0.223 3.737 3.960 0.000 0.000 0.273 200 G HA3 -0.223 3.737 3.960 0.000 0.000 0.273 200 G C 0.049 175.141 174.900 0.320 0.000 1.036 200 G CA 0.043 45.306 45.100 0.273 0.000 0.824 200 G HN 0.573 nan 8.290 nan 0.000 0.504 201 T N 1.777 116.511 114.554 0.301 0.000 2.863 201 T HA 0.331 4.681 4.350 0.000 0.000 0.299 201 T C 0.309 175.207 174.700 0.330 0.000 0.973 201 T CA -0.320 61.949 62.100 0.282 0.000 0.994 201 T CB 0.217 69.123 68.868 0.064 0.000 0.961 201 T HN 0.377 nan 8.240 nan 0.000 0.552 202 N N 3.697 122.667 118.700 0.450 0.000 2.425 202 N HA 0.422 5.162 4.740 0.000 0.000 0.268 202 N C -0.810 174.976 175.510 0.460 0.000 0.991 202 N CA -0.416 52.927 53.050 0.488 0.000 0.931 202 N CB 2.145 40.829 38.487 0.329 0.000 1.130 202 N HN 0.550 nan 8.380 nan 0.000 0.493 203 I N 1.927 122.737 120.570 0.399 0.000 2.433 203 I HA 0.311 4.482 4.170 0.000 0.000 0.292 203 I C -0.980 175.334 176.117 0.328 0.000 1.001 203 I CA -0.824 60.661 61.300 0.308 0.000 1.119 203 I CB 1.398 39.462 38.000 0.107 0.000 1.289 203 I HN 0.050 nan 8.210 nan 0.000 0.438 204 V N 8.212 128.290 119.914 0.273 0.000 2.370 204 V HA 0.411 4.532 4.120 0.000 0.000 0.279 204 V C 0.060 176.257 176.094 0.171 0.000 1.029 204 V CA -0.432 62.003 62.300 0.224 0.000 0.870 204 V CB 1.195 33.108 31.823 0.149 0.000 0.984 204 V HN 0.547 nan 8.190 nan 0.000 0.451 205 L N 3.829 125.139 121.223 0.145 0.000 2.330 205 L HA 0.776 5.116 4.340 0.000 0.000 0.271 205 L C 0.771 177.711 176.870 0.117 0.000 1.013 205 L CA -0.571 54.329 54.840 0.100 0.000 0.816 205 L CB 1.873 43.995 42.059 0.105 0.000 1.287 205 L HN 0.709 nan 8.230 nan 0.000 0.435 206 G N 0.662 109.545 108.800 0.138 0.000 2.400 206 G HA2 0.626 4.586 3.960 0.000 0.000 0.301 206 G HA3 0.626 4.586 3.960 0.000 0.000 0.301 206 G C -0.925 174.056 174.900 0.136 0.000 1.154 206 G CA -0.338 44.928 45.100 0.276 0.000 0.852 206 G HN 0.707 nan 8.290 nan 0.000 0.511 207 A N 0.995 123.895 122.820 0.134 0.000 2.318 207 A HA 0.755 5.076 4.320 0.000 0.000 0.317 207 A C -1.187 176.443 177.584 0.077 0.000 1.159 207 A CA -0.515 51.565 52.037 0.071 0.000 0.799 207 A CB 1.498 20.522 19.000 0.040 0.000 1.194 207 A HN 1.025 nan 8.150 nan 0.000 0.479 208 L N 3.842 125.084 121.223 0.031 0.000 2.588 208 L HA 0.560 4.900 4.340 0.000 0.000 0.263 208 L C -2.744 174.143 176.870 0.028 0.000 0.935 208 L CA -1.249 53.596 54.840 0.008 0.000 0.891 208 L CB 2.106 44.102 42.059 -0.106 0.000 1.318 208 L HN 0.453 nan 8.230 nan 0.000 0.409 209 P HA 0.130 nan 4.420 nan 0.000 0.266 209 P C 0.445 177.788 177.300 0.073 0.000 1.195 209 P CA 0.059 63.187 63.100 0.047 0.000 0.768 209 P CB 0.684 32.406 31.700 0.036 0.000 0.838 210 E N 1.665 121.908 120.200 0.073 0.000 2.097 210 E HA -0.280 4.070 4.350 0.000 0.000 0.196 210 E C 0.745 177.386 176.600 0.068 0.000 1.000 210 E CA 1.563 58.014 56.400 0.084 0.000 0.804 210 E CB 0.005 29.729 29.700 0.040 0.000 0.740 210 E HN 0.402 nan 8.360 nan 0.000 0.454 211 D N -0.088 120.339 120.400 0.045 0.000 2.117 211 D HA -0.128 4.512 4.640 0.000 0.000 0.197 211 D C 2.018 178.344 176.300 0.043 0.000 0.987 211 D CA 0.852 54.870 54.000 0.031 0.000 0.829 211 D CB -0.189 40.623 40.800 0.021 0.000 0.961 211 D HN 0.154 nan 8.370 nan 0.000 0.460 212 R N -0.368 120.164 120.500 0.053 0.000 2.120 212 R HA -0.098 4.242 4.340 0.000 0.000 0.234 212 R C 2.182 178.537 176.300 0.090 0.000 1.123 212 R CA 0.781 56.913 56.100 0.054 0.000 0.975 212 R CB -0.461 29.864 30.300 0.041 0.000 0.866 212 R HN 0.500 nan 8.270 nan 0.000 0.446 213 H N 0.574 119.631 119.070 -0.021 0.000 2.326 213 H HA -0.050 4.506 4.556 0.000 0.000 0.301 213 H C 2.164 177.464 175.328 -0.046 0.000 1.081 213 H CA 1.330 57.351 56.048 -0.045 0.000 1.334 213 H CB 0.107 29.836 29.762 -0.055 0.000 1.385 213 H HN 0.049 nan 8.280 nan 0.000 0.504 214 I N 1.092 121.688 120.570 0.042 0.000 2.151 214 I HA -0.331 3.839 4.170 0.000 0.000 0.243 214 I C 2.037 178.156 176.117 0.004 0.000 1.080 214 I CA 1.508 62.789 61.300 -0.032 0.000 1.339 214 I CB -0.278 37.703 38.000 -0.032 0.000 1.039 214 I HN 0.379 nan 8.210 nan 0.000 0.409 215 D N 0.448 120.863 120.400 0.025 0.000 2.116 215 D HA -0.214 4.426 4.640 0.000 0.000 0.193 215 D C 2.279 178.594 176.300 0.025 0.000 0.998 215 D CA 1.305 55.317 54.000 0.020 0.000 0.836 215 D CB -0.334 40.479 40.800 0.022 0.000 0.951 215 D HN 0.263 nan 8.370 nan 0.000 0.449 216 R N 0.067 120.595 120.500 0.046 0.000 2.081 216 R HA -0.031 4.309 4.340 0.000 0.000 0.235 216 R C 2.560 178.885 176.300 0.043 0.000 1.131 216 R CA 0.588 56.714 56.100 0.044 0.000 0.960 216 R CB -0.287 30.041 30.300 0.047 0.000 0.856 216 R HN 0.175 nan 8.270 nan 0.000 0.436 217 L N -0.467 120.786 121.223 0.050 0.000 2.083 217 L HA -0.139 4.201 4.340 0.000 0.000 0.209 217 L C 2.371 179.242 176.870 0.001 0.000 1.083 217 L CA 1.258 56.111 54.840 0.021 0.000 0.752 217 L CB -0.312 41.728 42.059 -0.031 0.000 0.899 217 L HN 0.302 nan 8.230 nan 0.000 0.433 218 A N -0.998 121.819 122.820 -0.004 0.000 2.067 218 A HA -0.158 4.162 4.320 0.000 0.000 0.217 218 A C 2.289 179.869 177.584 -0.006 0.000 1.156 218 A CA 0.917 52.947 52.037 -0.011 0.000 0.683 218 A CB -0.255 18.738 19.000 -0.011 0.000 0.808 218 A HN 0.222 nan 8.150 nan 0.000 0.455 219 K N -0.186 120.215 120.400 0.003 0.000 2.147 219 K HA -0.140 4.180 4.320 0.000 0.000 0.205 219 K C 0.758 177.359 176.600 0.002 0.000 1.049 219 K CA 1.250 57.539 56.287 0.004 0.000 0.936 219 K CB -0.033 32.473 32.500 0.009 0.000 0.722 219 K HN 0.727 nan 8.250 nan 0.000 0.446 220 R N -1.236 119.265 120.500 0.001 0.000 2.686 220 R HA 0.329 4.669 4.340 0.000 0.000 0.286 220 R C -0.823 175.471 176.300 -0.009 0.000 0.969 220 R CA -0.619 55.481 56.100 -0.001 0.000 0.898 220 R CB 0.869 31.173 30.300 0.007 0.000 1.183 220 R HN -0.148 nan 8.270 nan 0.000 0.456 221 Q N 2.653 122.446 119.800 -0.013 0.000 2.315 221 Q HA 0.162 4.502 4.340 0.000 0.000 0.289 221 Q C -0.476 175.508 176.000 -0.026 0.000 1.044 221 Q CA 0.403 56.192 55.803 -0.023 0.000 0.920 221 Q CB 0.056 28.782 28.738 -0.019 0.000 1.214 221 Q HN 0.749 nan 8.270 nan 0.000 0.392 222 R N 2.855 123.327 120.500 -0.046 0.000 2.576 222 R HA 0.340 4.680 4.340 0.000 0.000 0.283 222 R C -2.862 173.394 176.300 -0.073 0.000 1.493 222 R CA -1.915 54.151 56.100 -0.057 0.000 1.170 222 R CB 1.211 31.464 30.300 -0.078 0.000 1.189 222 R HN 0.490 nan 8.270 nan 0.000 0.542 223 P HA -0.028 nan 4.420 nan 0.000 0.261 223 P C 0.999 178.274 177.300 -0.041 0.000 1.183 223 P CA 1.245 64.322 63.100 -0.039 0.000 0.761 223 P CB 0.764 32.450 31.700 -0.022 0.000 0.785 224 G N 2.141 110.917 108.800 -0.040 0.000 2.284 224 G HA2 -0.255 3.706 3.960 0.000 0.000 0.247 224 G HA3 -0.255 3.706 3.960 0.000 0.000 0.247 224 G C 0.178 175.041 174.900 -0.061 0.000 1.012 224 G CA -0.222 44.869 45.100 -0.015 0.000 0.618 224 G HN 0.562 nan 8.290 nan 0.000 0.521 225 E N 0.578 120.650 120.200 -0.214 0.000 2.366 225 E HA 0.544 4.894 4.350 0.000 0.000 0.266 225 E C 0.305 176.640 176.600 -0.441 0.000 1.051 225 E CA -0.269 55.766 56.400 -0.608 0.000 0.884 225 E CB 0.600 29.930 29.700 -0.617 0.000 1.006 225 E HN 0.374 nan 8.360 nan 0.000 0.417 226 R N 1.605 121.775 120.500 -0.550 0.000 2.494 226 R HA 0.275 4.615 4.340 0.000 0.000 0.305 226 R C -0.756 175.428 176.300 -0.193 0.000 0.959 226 R CA -0.938 55.024 56.100 -0.229 0.000 0.864 226 R CB 1.031 31.288 30.300 -0.071 0.000 1.159 226 R HN 0.268 nan 8.270 nan 0.000 0.446 227 L N 3.164 124.320 121.223 -0.112 0.000 2.597 227 L HA 0.058 4.398 4.340 0.000 0.000 0.271 227 L C -0.406 176.472 176.870 0.013 0.000 1.157 227 L CA 1.001 55.812 54.840 -0.048 0.000 0.928 227 L CB -0.102 41.930 42.059 -0.045 0.000 1.216 227 L HN 0.649 nan 8.230 nan 0.000 0.481 228 D N 4.556 124.999 120.400 0.071 0.000 2.469 228 D HA 0.174 4.814 4.640 0.000 0.000 0.251 228 D C 0.960 177.300 176.300 0.067 0.000 1.173 228 D CA -0.439 53.623 54.000 0.103 0.000 0.882 228 D CB 1.017 41.938 40.800 0.202 0.000 1.129 228 D HN 0.422 nan 8.370 nan 0.000 0.549 229 L N 2.441 123.680 121.223 0.028 0.000 2.217 229 L HA -0.010 4.330 4.340 0.000 0.000 0.211 229 L C 2.321 179.192 176.870 0.000 0.000 1.107 229 L CA 0.926 55.764 54.840 -0.003 0.000 0.783 229 L CB -0.250 41.802 42.059 -0.012 0.000 0.919 229 L HN 0.408 nan 8.230 nan 0.000 0.442 230 A N -0.018 122.813 122.820 0.018 0.000 1.897 230 A HA -0.241 4.079 4.320 0.000 0.000 0.215 230 A C 2.239 179.833 177.584 0.016 0.000 1.181 230 A CA 1.657 53.699 52.037 0.008 0.000 0.620 230 A CB -0.410 18.594 19.000 0.007 0.000 0.821 230 A HN 0.327 nan 8.150 nan 0.000 0.443 231 M N -0.481 119.152 119.600 0.054 0.000 2.117 231 M HA -0.090 4.390 4.480 0.000 0.000 0.262 231 M C 1.831 178.175 176.300 0.073 0.000 1.065 231 M CA 1.672 57.022 55.300 0.084 0.000 1.114 231 M CB -0.670 32.032 32.600 0.169 0.000 1.361 231 M HN 0.338 nan 8.290 nan 0.000 0.408 232 L N 0.457 121.702 121.223 0.037 0.000 2.046 232 L HA -0.016 4.324 4.340 0.000 0.000 0.208 232 L C 2.304 179.139 176.870 -0.057 0.000 1.077 232 L CA 2.305 57.107 54.840 -0.063 0.000 0.747 232 L CB -1.342 40.615 42.059 -0.169 0.000 0.896 232 L HN 0.343 nan 8.230 nan 0.000 0.432 233 A N -0.568 122.231 122.820 -0.035 0.000 1.933 233 A HA -0.054 4.266 4.320 0.000 0.000 0.218 233 A C 2.441 180.014 177.584 -0.017 0.000 1.175 233 A CA 1.723 53.746 52.037 -0.023 0.000 0.628 233 A CB -1.112 17.875 19.000 -0.022 0.000 0.814 233 A HN 0.596 nan 8.150 nan 0.000 0.444 234 A N -0.295 122.514 122.820 -0.020 0.000 1.858 234 A HA -0.069 4.251 4.320 0.000 0.000 0.216 234 A C 2.073 179.634 177.584 -0.039 0.000 1.190 234 A CA 1.722 53.739 52.037 -0.035 0.000 0.617 234 A CB -0.588 18.390 19.000 -0.037 0.000 0.827 234 A HN 0.507 nan 8.150 nan 0.000 0.443 235 I N -0.174 120.381 120.570 -0.024 0.000 2.315 235 I HA -0.165 4.005 4.170 0.000 0.000 0.248 235 I C 2.423 178.591 176.117 0.084 0.000 1.117 235 I CA 1.242 62.522 61.300 -0.034 0.000 1.404 235 I CB -0.447 37.529 38.000 -0.039 0.000 1.071 235 I HN 0.254 nan 8.210 nan 0.000 0.419 236 R N -0.388 120.155 120.500 0.071 0.000 2.073 236 R HA -0.171 4.169 4.340 0.000 0.000 0.234 236 R C 2.506 178.852 176.300 0.077 0.000 1.134 236 R CA 1.599 57.761 56.100 0.103 0.000 0.952 236 R CB -0.456 29.892 30.300 0.079 0.000 0.850 236 R HN 0.315 nan 8.270 nan 0.000 0.433 237 R N 0.636 121.151 120.500 0.024 0.000 2.073 237 R HA -0.130 4.210 4.340 0.000 0.000 0.234 237 R C 2.105 178.391 176.300 -0.024 0.000 1.134 237 R CA 1.548 57.646 56.100 -0.003 0.000 0.952 237 R CB -0.237 30.046 30.300 -0.028 0.000 0.850 237 R HN 0.067 nan 8.270 nan 0.000 0.433 238 V N 0.268 120.144 119.914 -0.064 0.000 2.287 238 V HA -0.276 3.844 4.120 0.000 0.000 0.248 238 V C 1.968 177.955 176.094 -0.177 0.000 1.053 238 V CA 1.850 64.057 62.300 -0.156 0.000 1.027 238 V CB -0.645 31.029 31.823 -0.248 0.000 0.646 238 V HN 0.357 nan 8.190 nan 0.000 0.447 239 Y N 1.157 121.422 120.300 -0.058 0.000 2.242 239 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 239 Y C 2.513 178.403 175.900 -0.016 0.000 1.137 239 Y CA 1.407 59.487 58.100 -0.033 0.000 1.181 239 Y CB -1.072 37.379 38.460 -0.016 0.000 0.989 239 Y HN 0.264 nan 8.280 nan 0.000 0.527 240 G N -0.048 108.825 108.800 0.121 0.000 2.440 240 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 240 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 240 G C 1.629 176.546 174.900 0.029 0.000 1.154 240 G CA 1.237 46.378 45.100 0.068 0.000 0.767 240 G HN 0.375 nan 8.290 nan 0.000 0.552 241 L N -0.351 120.867 121.223 -0.010 0.000 2.156 241 L HA 0.061 4.401 4.340 0.000 0.000 0.208 241 L C 2.642 179.480 176.870 -0.052 0.000 1.095 241 L CA 0.247 55.064 54.840 -0.038 0.000 0.770 241 L CB -0.404 41.612 42.059 -0.073 0.000 0.914 241 L HN 0.225 nan 8.230 nan 0.000 0.439 242 L N 0.489 121.671 121.223 -0.068 0.000 1.989 242 L HA -0.191 4.149 4.340 0.000 0.000 0.211 242 L C 2.680 179.545 176.870 -0.008 0.000 1.071 242 L CA 2.106 56.904 54.840 -0.069 0.000 0.749 242 L CB -0.663 41.336 42.059 -0.099 0.000 0.890 242 L HN 0.149 nan 8.230 nan 0.000 0.431 243 A N -0.343 122.497 122.820 0.033 0.000 1.908 243 A HA -0.237 4.083 4.320 0.000 0.000 0.218 243 A C 2.064 179.672 177.584 0.040 0.000 1.181 243 A CA 1.995 54.055 52.037 0.039 0.000 0.627 243 A CB -0.881 18.151 19.000 0.054 0.000 0.818 243 A HN 0.642 nan 8.150 nan 0.000 0.445 244 N N -0.210 118.516 118.700 0.044 0.000 2.188 244 N HA -0.093 4.647 4.740 0.000 0.000 0.184 244 N C 1.696 177.272 175.510 0.110 0.000 1.018 244 N CA 1.853 54.945 53.050 0.070 0.000 0.858 244 N CB -0.890 37.631 38.487 0.057 0.000 0.989 244 N HN 0.519 nan 8.380 nan 0.000 0.426 245 T N 0.856 115.449 114.554 0.065 0.000 2.708 245 T HA -0.038 4.312 4.350 0.000 0.000 0.266 245 T C 2.189 176.994 174.700 0.175 0.000 1.037 245 T CA 0.808 62.968 62.100 0.101 0.000 1.146 245 T CB -0.380 68.450 68.868 -0.062 0.000 0.865 245 T HN -0.034 nan 8.240 nan 0.000 0.435 246 V N 1.451 121.415 119.914 0.084 0.000 2.287 246 V HA -0.198 3.922 4.120 0.000 0.000 0.248 246 V C 2.674 178.821 176.094 0.089 0.000 1.053 246 V CA 1.683 64.021 62.300 0.063 0.000 1.027 246 V CB -0.561 31.262 31.823 -0.000 0.000 0.646 246 V HN 0.374 nan 8.190 nan 0.000 0.447 247 R N -1.369 119.188 120.500 0.095 0.000 2.081 247 R HA -0.192 4.148 4.340 0.000 0.000 0.235 247 R C 2.332 178.717 176.300 0.142 0.000 1.131 247 R CA 2.030 58.186 56.100 0.093 0.000 0.960 247 R CB -0.559 29.789 30.300 0.080 0.000 0.856 247 R HN 0.644 nan 8.270 nan 0.000 0.436 248 Y N 1.646 121.993 120.300 0.078 0.000 2.081 248 Y HA -0.269 4.281 4.550 0.000 0.000 0.280 248 Y C 1.903 177.869 175.900 0.110 0.000 1.163 248 Y CA 1.764 59.928 58.100 0.106 0.000 1.135 248 Y CB -0.323 38.238 38.460 0.167 0.000 0.970 248 Y HN -0.040 nan 8.280 nan 0.000 0.498 249 L N -0.140 121.211 121.223 0.214 0.000 2.093 249 L HA -0.217 4.123 4.340 0.000 0.000 0.208 249 L C 2.499 179.376 176.870 0.011 0.000 1.085 249 L CA 1.454 56.355 54.840 0.101 0.000 0.755 249 L CB -0.641 41.551 42.059 0.221 0.000 0.904 249 L HN 0.279 nan 8.230 nan 0.000 0.435 250 Q N -0.405 119.412 119.800 0.029 0.000 2.291 250 Q HA -0.175 4.165 4.340 0.000 0.000 0.205 250 Q C 2.268 178.259 176.000 -0.015 0.000 0.970 250 Q CA 1.468 57.277 55.803 0.010 0.000 0.876 250 Q CB -0.297 28.452 28.738 0.019 0.000 0.935 250 Q HN 0.814 nan 8.270 nan 0.000 0.455 251 C N 0.209 119.486 119.300 -0.039 0.000 2.573 251 C HA 0.474 4.934 4.460 0.000 0.000 0.273 251 C C 1.694 176.617 174.990 -0.112 0.000 1.346 251 C CA 0.465 59.445 59.018 -0.062 0.000 1.702 251 C CB -0.998 26.711 27.740 -0.051 0.000 1.751 251 C HN 0.584 nan 8.230 nan 0.000 0.583 252 G N -0.479 108.242 108.800 -0.132 0.000 2.157 252 G HA2 0.160 4.120 3.960 0.000 0.000 0.239 252 G HA3 0.160 4.120 3.960 0.000 0.000 0.239 252 G C 0.572 175.318 174.900 -0.257 0.000 0.982 252 G CA 0.394 45.407 45.100 -0.146 0.000 0.650 252 G HN 1.880 nan 8.290 nan 0.000 0.527 253 G N 0.057 108.550 108.800 -0.512 0.000 2.353 253 G HA2 0.464 4.424 3.960 0.000 0.000 0.239 253 G HA3 0.464 4.424 3.960 0.000 0.000 0.239 253 G C 0.319 174.950 174.900 -0.449 0.000 1.295 253 G CA 1.150 45.681 45.100 -0.949 0.000 0.884 253 G HN 1.414 nan 8.290 nan 0.000 0.537 254 S N 3.426 118.999 115.700 -0.211 0.000 2.669 254 S HA 0.271 4.741 4.470 0.000 0.000 0.315 254 S C 1.124 175.706 174.600 -0.029 0.000 1.106 254 S CA -0.817 57.325 58.200 -0.098 0.000 1.107 254 S CB 0.131 63.239 63.200 -0.153 0.000 0.990 254 S HN 0.772 nan 8.310 nan 0.000 0.471 255 W N 6.178 127.404 121.300 -0.124 0.000 2.325 255 W HA -0.193 4.467 4.660 0.000 0.000 0.299 255 W C 1.056 177.516 176.519 -0.097 0.000 1.215 255 W CA 0.861 58.008 57.345 -0.330 0.000 1.244 255 W CB -0.629 28.095 29.460 -1.227 0.000 1.140 255 W HN 0.661 nan 8.180 nan 0.000 0.523 256 R N 0.869 120.682 120.500 -1.146 0.000 2.081 256 R HA -0.126 4.214 4.340 0.000 0.000 0.235 256 R C 2.304 178.382 176.300 -0.370 0.000 1.131 256 R CA 2.118 57.571 56.100 -1.078 0.000 0.960 256 R CB -0.434 29.202 30.300 -1.106 0.000 0.856 256 R HN 0.308 nan 8.270 nan 0.000 0.436 257 E N 0.114 120.166 120.200 -0.247 0.000 2.106 257 E HA -0.142 4.208 4.350 0.000 0.000 0.192 257 E C 1.037 177.632 176.600 -0.009 0.000 0.984 257 E CA 0.975 57.312 56.400 -0.105 0.000 0.806 257 E CB 0.124 29.766 29.700 -0.096 0.000 0.750 257 E HN 0.278 nan 8.360 nan 0.000 0.458 258 D N -0.477 119.951 120.400 0.045 0.000 2.354 258 D HA -0.085 4.555 4.640 0.000 0.000 0.209 258 D C 1.201 177.582 176.300 0.135 0.000 1.015 258 D CA 0.006 54.056 54.000 0.082 0.000 0.867 258 D CB -0.238 40.639 40.800 0.128 0.000 0.933 258 D HN 0.303 nan 8.370 nan 0.000 0.520 259 W N 2.159 123.465 121.300 0.010 0.000 2.305 259 W HA -0.222 4.438 4.660 0.000 0.000 0.308 259 W C 1.844 178.399 176.519 0.060 0.000 1.226 259 W CA 1.876 59.274 57.345 0.089 0.000 1.253 259 W CB -0.365 29.174 29.460 0.132 0.000 1.146 259 W HN 0.051 nan 8.180 nan 0.000 0.507 260 G N 0.323 109.195 108.800 0.118 0.000 2.479 260 G HA2 -0.318 3.642 3.960 0.000 0.000 0.220 260 G HA3 -0.318 3.642 3.960 0.000 0.000 0.220 260 G C 1.356 176.230 174.900 -0.042 0.000 1.115 260 G CA 0.903 46.011 45.100 0.015 0.000 0.757 260 G HN 0.469 nan 8.290 nan 0.000 0.560 261 Q N -0.463 119.319 119.800 -0.031 0.000 2.369 261 Q HA 0.161 4.501 4.340 0.000 0.000 0.206 261 Q C 2.287 178.292 176.000 0.010 0.000 0.963 261 Q CA 0.306 56.115 55.803 0.010 0.000 0.894 261 Q CB -0.111 28.626 28.738 -0.002 0.000 0.965 261 Q HN 0.469 nan 8.270 nan 0.000 0.475 262 L N -0.501 120.643 121.223 -0.131 0.000 2.376 262 L HA -0.043 4.297 4.340 0.000 0.000 0.219 262 L C 1.749 178.517 176.870 -0.171 0.000 1.133 262 L CA 0.521 55.251 54.840 -0.183 0.000 0.816 262 L CB 0.096 41.905 42.059 -0.417 0.000 0.933 262 L HN 0.047 nan 8.230 nan 0.000 0.449 263 S N -0.896 114.713 115.700 -0.152 0.000 2.524 263 S HA 0.340 4.810 4.470 0.000 0.000 0.215 263 S C 0.897 175.467 174.600 -0.050 0.000 0.986 263 S CA 0.467 58.608 58.200 -0.099 0.000 0.911 263 S CB 0.484 63.630 63.200 -0.090 0.000 0.805 263 S HN 0.599 nan 8.310 nan 0.000 0.501 280 P HA 0.389 nan 4.420 nan 0.000 0.262 280 P C -0.314 177.005 177.300 0.033 0.000 1.182 280 P CA 0.412 63.527 63.100 0.026 0.000 0.761 280 P CB 0.347 32.063 31.700 0.026 0.000 0.795 281 R N 1.768 122.305 120.500 0.061 0.000 2.716 281 R HA 0.649 4.989 4.340 0.000 0.000 0.271 281 R C -3.058 173.340 176.300 0.163 0.000 1.028 281 R CA -2.051 54.109 56.100 0.099 0.000 0.883 281 R CB -0.401 29.936 30.300 0.062 0.000 1.250 281 R HN 0.071 nan 8.270 nan 0.000 0.465 282 P HA -0.028 nan 4.420 nan 0.000 0.267 282 P C -0.862 176.602 177.300 0.273 0.000 1.200 282 P CA -0.013 63.219 63.100 0.220 0.000 0.772 282 P CB 0.297 32.121 31.700 0.207 0.000 0.855 283 H N 2.601 121.743 119.070 0.121 0.000 2.848 283 H HA 0.020 4.576 4.556 0.000 0.000 0.341 283 H C 1.429 176.772 175.328 0.025 0.000 1.060 283 H CA 0.205 56.309 56.048 0.095 0.000 1.444 283 H CB 0.666 30.457 29.762 0.047 0.000 1.446 283 H HN 0.470 nan 8.280 nan 0.000 0.583 284 I N 4.069 124.494 120.570 -0.243 0.000 2.300 284 I HA -0.253 3.917 4.170 0.000 0.000 0.252 284 I C 2.094 178.222 176.117 0.018 0.000 1.119 284 I CA 1.767 62.915 61.300 -0.254 0.000 1.384 284 I CB -0.326 37.540 38.000 -0.224 0.000 1.062 284 I HN 0.793 nan 8.210 nan 0.000 0.426 285 G N -0.374 108.622 108.800 0.325 0.000 2.498 285 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 285 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 285 G C 0.928 175.890 174.900 0.102 0.000 1.119 285 G CA 0.758 46.000 45.100 0.237 0.000 0.766 285 G HN 0.423 nan 8.290 nan 0.000 0.552 286 D N 0.333 120.799 120.400 0.110 0.000 2.491 286 D HA 0.133 4.773 4.640 0.000 0.000 0.228 286 D C 1.042 177.350 176.300 0.014 0.000 1.183 286 D CA 0.286 54.315 54.000 0.049 0.000 0.827 286 D CB 0.514 41.353 40.800 0.066 0.000 0.989 286 D HN 0.408 nan 8.370 nan 0.000 0.494 287 T N -3.609 110.937 114.554 -0.014 0.000 2.888 287 T HA 0.398 4.748 4.350 0.000 0.000 0.288 287 T C 1.434 176.083 174.700 -0.085 0.000 1.063 287 T CA -0.711 61.355 62.100 -0.056 0.000 1.010 287 T CB 1.132 69.945 68.868 -0.091 0.000 1.214 287 T HN -0.158 nan 8.240 nan 0.000 0.533 288 L N -0.412 120.696 121.223 -0.192 0.000 2.261 288 L HA 0.005 4.345 4.340 0.000 0.000 0.216 288 L C 2.210 179.010 176.870 -0.116 0.000 1.114 288 L CA 1.227 55.943 54.840 -0.206 0.000 0.777 288 L CB -0.741 41.169 42.059 -0.247 0.000 0.910 288 L HN 0.584 nan 8.230 nan 0.000 0.440 289 F N -0.525 119.474 119.950 0.082 0.000 2.171 289 F HA -0.242 4.285 4.527 0.000 0.000 0.300 289 F C 2.810 178.707 175.800 0.161 0.000 1.090 289 F CA 1.689 59.800 58.000 0.185 0.000 1.293 289 F CB -1.245 37.836 39.000 0.135 0.000 1.013 289 F HN -0.008 nan 8.300 nan 0.000 0.486 290 T N 0.252 114.902 114.554 0.159 0.000 2.849 290 T HA -0.144 4.206 4.350 0.000 0.000 0.270 290 T C 2.045 176.708 174.700 -0.062 0.000 1.066 290 T CA 1.053 63.162 62.100 0.015 0.000 1.130 290 T CB -0.353 68.507 68.868 -0.014 0.000 0.864 290 T HN 0.191 nan 8.240 nan 0.000 0.481 291 L N -0.608 120.499 121.223 -0.193 0.000 2.201 291 L HA 0.036 4.376 4.340 0.000 0.000 0.212 291 L C 1.465 178.003 176.870 -0.554 0.000 1.105 291 L CA 1.050 55.638 54.840 -0.420 0.000 0.775 291 L CB -0.448 41.147 42.059 -0.774 0.000 0.913 291 L HN 0.297 nan 8.230 nan 0.000 0.440 292 F N -0.839 119.117 119.950 0.011 0.000 2.660 292 F HA 0.148 4.675 4.527 0.000 0.000 0.302 292 F C 1.957 177.897 175.800 0.235 0.000 1.103 292 F CA -0.104 57.905 58.000 0.014 0.000 1.340 292 F CB -0.387 38.595 39.000 -0.029 0.000 1.048 292 F HN -0.113 nan 8.300 nan 0.000 0.551 293 R N 1.300 121.947 120.500 0.245 0.000 2.391 293 R HA 0.322 4.662 4.340 0.000 0.000 0.225 293 R C 0.494 176.862 176.300 0.113 0.000 1.079 293 R CA -0.154 56.044 56.100 0.163 0.000 1.147 293 R CB -0.422 29.788 30.300 -0.150 0.000 1.103 293 R HN 0.149 nan 8.270 nan 0.000 0.499 294 A N 1.534 124.408 122.820 0.090 0.000 2.488 294 A HA 0.183 4.503 4.320 0.000 0.000 0.249 294 A C -1.491 176.132 177.584 0.065 0.000 1.083 294 A CA -1.257 50.818 52.037 0.064 0.000 0.768 294 A CB 0.348 19.335 19.000 -0.023 0.000 1.017 294 A HN 0.239 nan 8.150 nan 0.000 0.496 295 P HA -0.181 nan 4.420 nan 0.000 0.219 295 P C 0.629 177.973 177.300 0.073 0.000 1.146 295 P CA 1.328 64.470 63.100 0.070 0.000 0.808 295 P CB 0.207 31.942 31.700 0.058 0.000 0.779 296 E N -0.013 120.214 120.200 0.046 0.000 2.267 296 E HA -0.105 4.245 4.350 0.000 0.000 0.197 296 E C 1.870 178.487 176.600 0.028 0.000 0.998 296 E CA 0.879 57.298 56.400 0.032 0.000 0.830 296 E CB -0.730 28.961 29.700 -0.014 0.000 0.751 296 E HN 0.341 nan 8.360 nan 0.000 0.491 297 L N 0.033 121.237 121.223 -0.032 0.000 2.607 297 L HA 0.206 4.546 4.340 0.000 0.000 0.228 297 L C 0.168 177.224 176.870 0.310 0.000 1.123 297 L CA -0.157 54.640 54.840 -0.072 0.000 0.890 297 L CB -0.026 41.835 42.059 -0.330 0.000 1.103 297 L HN 0.024 nan 8.230 nan 0.000 0.468 298 L N -0.033 121.310 121.223 0.200 0.000 2.325 298 L HA 0.639 4.979 4.340 0.000 0.000 0.278 298 L C 0.520 177.341 176.870 -0.081 0.000 1.023 298 L CA -0.618 54.249 54.840 0.045 0.000 0.811 298 L CB 1.486 43.590 42.059 0.075 0.000 1.249 298 L HN -0.090 nan 8.230 nan 0.000 0.431 299 A N 3.178 125.699 122.820 -0.499 0.000 2.327 299 A HA 0.383 4.703 4.320 0.000 0.000 0.255 299 A C -1.613 175.914 177.584 -0.095 0.000 1.099 299 A CA -0.967 50.818 52.037 -0.421 0.000 0.801 299 A CB -0.285 18.354 19.000 -0.601 0.000 1.062 299 A HN 0.672 nan 8.150 nan 0.000 0.496 300 P HA -0.158 nan 4.420 nan 0.000 0.218 300 P C 0.725 178.023 177.300 -0.004 0.000 1.146 300 P CA 1.659 64.766 63.100 0.013 0.000 0.813 300 P CB -0.045 31.673 31.700 0.030 0.000 0.778 301 N N -1.432 117.252 118.700 -0.027 0.000 2.383 301 N HA 0.066 4.806 4.740 0.000 0.000 0.192 301 N C 1.239 176.743 175.510 -0.010 0.000 1.141 301 N CA 0.795 53.835 53.050 -0.017 0.000 0.851 301 N CB -0.781 37.693 38.487 -0.022 0.000 0.976 301 N HN 0.194 nan 8.380 nan 0.000 0.465 302 G N -0.512 108.279 108.800 -0.014 0.000 2.217 302 G HA2 -0.247 3.713 3.960 0.000 0.000 0.246 302 G HA3 -0.247 3.713 3.960 0.000 0.000 0.246 302 G C -0.582 174.347 174.900 0.048 0.000 0.990 302 G CA 0.153 45.269 45.100 0.026 0.000 0.627 302 G HN 0.460 nan 8.290 nan 0.000 0.522 303 D N 0.575 120.960 120.400 -0.026 0.000 2.382 303 D HA 0.402 5.042 4.640 0.000 0.000 0.245 303 D C 0.738 176.972 176.300 -0.111 0.000 1.120 303 D CA -0.380 53.598 54.000 -0.037 0.000 0.890 303 D CB 1.346 42.080 40.800 -0.110 0.000 1.201 303 D HN 0.193 nan 8.370 nan 0.000 0.433 304 L N 3.165 124.361 121.223 -0.044 0.000 2.499 304 L HA 0.002 4.342 4.340 0.000 0.000 0.273 304 L C -0.425 176.362 176.870 -0.139 0.000 1.195 304 L CA 0.111 54.916 54.840 -0.058 0.000 0.882 304 L CB -0.191 41.769 42.059 -0.166 0.000 1.133 304 L HN 0.224 nan 8.230 nan 0.000 0.483 305 Y N 4.613 124.941 120.300 0.047 0.000 2.597 305 Y HA -0.047 4.503 4.550 0.000 0.000 0.336 305 Y C 1.833 177.526 175.900 -0.345 0.000 1.216 305 Y CA 0.373 58.391 58.100 -0.138 0.000 1.463 305 Y CB 0.117 38.471 38.460 -0.176 0.000 1.303 305 Y HN 0.642 nan 8.280 nan 0.000 0.576 306 N N 1.139 119.618 118.700 -0.368 0.000 2.149 306 N HA -0.205 4.535 4.740 0.000 0.000 0.188 306 N C 1.994 176.797 175.510 -1.178 0.000 1.019 306 N CA 1.417 53.923 53.050 -0.907 0.000 0.857 306 N CB -0.234 37.569 38.487 -1.140 0.000 0.997 306 N HN 0.569 nan 8.380 nan 0.000 0.426 307 V N 0.890 120.328 119.914 -0.793 0.000 2.392 307 V HA -0.225 3.895 4.120 0.000 0.000 0.249 307 V C 1.624 177.511 176.094 -0.344 0.000 1.059 307 V CA 1.679 63.694 62.300 -0.475 0.000 1.051 307 V CB -0.484 31.038 31.823 -0.501 0.000 0.658 307 V HN 0.083 nan 8.190 nan 0.000 0.455 308 F N 0.584 120.445 119.950 -0.148 0.000 2.335 308 F HA 0.224 4.751 4.527 0.000 0.000 0.296 308 F C 2.406 178.069 175.800 -0.228 0.000 1.091 308 F CA 0.830 58.738 58.000 -0.154 0.000 1.399 308 F CB -1.403 37.532 39.000 -0.108 0.000 1.067 308 F HN 0.196 nan 8.300 nan 0.000 0.520 309 A N -0.016 122.741 122.820 -0.105 0.000 1.933 309 A HA -0.159 4.161 4.320 0.000 0.000 0.218 309 A C 2.013 179.679 177.584 0.136 0.000 1.175 309 A CA 1.283 53.299 52.037 -0.034 0.000 0.628 309 A CB -1.171 17.822 19.000 -0.012 0.000 0.814 309 A HN 0.449 nan 8.150 nan 0.000 0.444 310 W N -0.307 121.033 121.300 0.067 0.000 2.358 310 W HA -0.049 4.611 4.660 0.000 0.000 0.303 310 W C 2.777 179.301 176.519 0.009 0.000 1.208 310 W CA 0.747 58.121 57.345 0.048 0.000 1.274 310 W CB -1.278 28.182 29.460 0.001 0.000 1.138 310 W HN 0.455 nan 8.180 nan 0.000 0.515 311 A N 0.331 123.251 122.820 0.167 0.000 1.940 311 A HA -0.167 4.153 4.320 0.000 0.000 0.219 311 A C 2.172 179.702 177.584 -0.089 0.000 1.176 311 A CA 1.588 53.639 52.037 0.024 0.000 0.631 311 A CB -1.017 17.971 19.000 -0.021 0.000 0.814 311 A HN 0.247 nan 8.150 nan 0.000 0.446 312 L N -0.615 120.492 121.223 -0.193 0.000 2.093 312 L HA -0.164 4.176 4.340 0.000 0.000 0.208 312 L C 1.986 178.868 176.870 0.020 0.000 1.085 312 L CA 1.247 55.887 54.840 -0.334 0.000 0.755 312 L CB -0.712 40.723 42.059 -1.039 0.000 0.904 312 L HN 0.307 nan 8.230 nan 0.000 0.435 313 D N -0.076 120.493 120.400 0.282 0.000 2.117 313 D HA -0.152 4.488 4.640 0.000 0.000 0.197 313 D C 2.346 178.775 176.300 0.216 0.000 0.987 313 D CA 1.091 55.323 54.000 0.387 0.000 0.829 313 D CB -0.220 40.801 40.800 0.369 0.000 0.961 313 D HN 0.095 nan 8.370 nan 0.000 0.460 314 V N 1.183 121.180 119.914 0.138 0.000 2.287 314 V HA -0.235 3.885 4.120 0.000 0.000 0.248 314 V C 2.546 178.671 176.094 0.052 0.000 1.053 314 V CA 1.124 63.470 62.300 0.077 0.000 1.027 314 V CB -0.526 31.326 31.823 0.048 0.000 0.646 314 V HN 0.128 nan 8.190 nan 0.000 0.447 315 L N 0.855 122.083 121.223 0.010 0.000 1.997 315 L HA -0.235 4.105 4.340 0.000 0.000 0.216 315 L C 2.490 179.395 176.870 0.058 0.000 1.074 315 L CA 2.598 57.420 54.840 -0.031 0.000 0.763 315 L CB -1.035 40.926 42.059 -0.164 0.000 0.890 315 L HN 0.267 nan 8.230 nan 0.000 0.434 316 A N -0.972 121.968 122.820 0.200 0.000 1.883 316 A HA -0.274 4.046 4.320 0.000 0.000 0.217 316 A C 2.352 180.032 177.584 0.161 0.000 1.186 316 A CA 2.213 54.423 52.037 0.288 0.000 0.624 316 A CB -0.567 18.683 19.000 0.418 0.000 0.822 316 A HN 0.540 nan 8.150 nan 0.000 0.444 317 K N -1.188 119.286 120.400 0.122 0.000 2.217 317 K HA -0.041 4.279 4.320 0.000 0.000 0.202 317 K C 2.151 178.775 176.600 0.040 0.000 1.051 317 K CA 0.744 57.076 56.287 0.075 0.000 0.952 317 K CB -0.063 32.477 32.500 0.067 0.000 0.736 317 K HN 0.204 nan 8.250 nan 0.000 0.453 318 R N 0.615 121.134 120.500 0.031 0.000 2.115 318 R HA 0.024 4.364 4.340 0.000 0.000 0.226 318 R C 2.083 178.366 176.300 -0.028 0.000 1.100 318 R CA 0.969 57.071 56.100 0.002 0.000 0.980 318 R CB -0.327 29.974 30.300 0.001 0.000 0.875 318 R HN 0.248 nan 8.270 nan 0.000 0.445 319 L N -0.708 120.506 121.223 -0.015 0.000 2.316 319 L HA 0.178 4.518 4.340 0.000 0.000 0.207 319 L C 2.596 179.447 176.870 -0.032 0.000 1.070 319 L CA 0.196 55.012 54.840 -0.040 0.000 0.820 319 L CB -0.328 41.712 42.059 -0.032 0.000 0.992 319 L HN 0.047 nan 8.230 nan 0.000 0.466 320 R N 0.930 121.438 120.500 0.014 0.000 2.103 320 R HA -0.166 4.174 4.340 0.000 0.000 0.242 320 R C 2.181 178.448 176.300 -0.055 0.000 1.142 320 R CA 2.009 58.115 56.100 0.011 0.000 0.960 320 R CB -0.085 30.243 30.300 0.047 0.000 0.858 320 R HN 0.314 nan 8.270 nan 0.000 0.439 321 S N 0.127 115.781 115.700 -0.077 0.000 2.547 321 S HA -0.027 4.443 4.470 0.000 0.000 0.235 321 S C 0.856 175.241 174.600 -0.359 0.000 0.980 321 S CA 0.498 58.609 58.200 -0.148 0.000 0.941 321 S CB -0.103 63.049 63.200 -0.080 0.000 0.763 321 S HN 0.256 nan 8.310 nan 0.000 0.532 322 M N 1.955 121.377 119.600 -0.297 0.000 2.242 322 M HA 0.214 4.694 4.480 0.000 0.000 0.344 322 M C -0.580 175.466 176.300 -0.424 0.000 1.140 322 M CA 0.092 55.186 55.300 -0.343 0.000 1.160 322 M CB 0.451 32.922 32.600 -0.216 0.000 1.491 322 M HN 0.189 nan 8.290 nan 0.000 0.459 323 H N 0.966 120.053 119.070 0.029 0.000 2.541 323 H HA 0.447 5.003 4.556 0.000 0.000 0.316 323 H C -0.956 174.316 175.328 -0.093 0.000 1.043 323 H CA -0.751 55.280 56.048 -0.028 0.000 1.232 323 H CB 0.774 30.631 29.762 0.159 0.000 1.406 323 H HN 0.311 nan 8.280 nan 0.000 0.469 324 V N 4.944 124.706 119.914 -0.253 0.000 2.427 324 V HA 0.291 4.411 4.120 0.000 0.000 0.286 324 V C -0.604 175.186 176.094 -0.508 0.000 1.034 324 V CA -0.532 61.655 62.300 -0.188 0.000 0.893 324 V CB 0.402 32.170 31.823 -0.092 0.000 0.982 324 V HN 0.570 nan 8.190 nan 0.000 0.452 325 F N 4.556 124.547 119.950 0.067 0.000 2.529 325 F HA 0.590 5.117 4.527 -0.000 0.000 0.320 325 F C -0.189 175.626 175.800 0.026 0.000 1.118 325 F CA -0.912 57.114 58.000 0.043 0.000 0.915 325 F CB 1.671 40.693 39.000 0.037 0.000 1.161 325 F HN 0.166 nan 8.300 nan 0.000 0.445 326 I N 4.751 125.405 120.570 0.140 0.000 2.315 326 I HA 0.255 4.425 4.170 0.000 0.000 0.291 326 I C -0.542 175.589 176.117 0.022 0.000 1.006 326 I CA -0.718 60.626 61.300 0.072 0.000 1.265 326 I CB 1.098 39.124 38.000 0.043 0.000 1.387 326 I HN 0.375 nan 8.210 nan 0.000 0.475 327 L N 6.832 128.026 121.223 -0.047 0.000 2.272 327 L HA 0.423 4.763 4.340 0.000 0.000 0.289 327 L C -0.156 176.551 176.870 -0.272 0.000 1.032 327 L CA -0.164 54.543 54.840 -0.222 0.000 0.810 327 L CB 0.956 42.768 42.059 -0.411 0.000 1.205 327 L HN 0.396 nan 8.230 nan 0.000 0.422 328 D N 3.623 123.902 120.400 -0.201 0.000 2.344 328 D HA 0.002 4.642 4.640 0.000 0.000 0.253 328 D C 0.094 176.290 176.300 -0.175 0.000 1.255 328 D CA 0.360 54.288 54.000 -0.121 0.000 0.894 328 D CB 0.363 41.124 40.800 -0.065 0.000 1.067 328 D HN 0.518 nan 8.370 nan 0.000 0.492 329 Y N 1.282 121.555 120.300 -0.045 0.000 2.490 329 Y HA 0.051 4.601 4.550 0.000 0.000 0.281 329 Y C 1.191 177.065 175.900 -0.044 0.000 1.174 329 Y CA -0.139 57.929 58.100 -0.053 0.000 1.295 329 Y CB 0.342 38.750 38.460 -0.087 0.000 1.062 329 Y HN 0.320 nan 8.280 nan 0.000 0.522 330 D N 1.596 122.046 120.400 0.084 0.000 3.032 330 D HA 0.054 4.694 4.640 0.000 0.000 0.241 330 D C -0.113 176.206 176.300 0.031 0.000 1.196 330 D CA 0.111 54.141 54.000 0.050 0.000 0.927 330 D CB -0.466 40.355 40.800 0.034 0.000 1.129 330 D HN 0.523 nan 8.370 nan 0.000 0.458 331 Q N -1.896 117.925 119.800 0.035 0.000 2.737 331 Q HA 0.338 4.678 4.340 0.000 0.000 0.307 331 Q C -0.639 175.377 176.000 0.026 0.000 0.905 331 Q CA -1.063 54.751 55.803 0.019 0.000 0.753 331 Q CB 0.161 28.899 28.738 -0.001 0.000 1.463 331 Q HN 0.059 nan 8.270 nan 0.000 0.455 332 S N -0.577 115.132 115.700 0.015 0.000 2.576 332 S HA 0.147 4.617 4.470 0.000 0.000 0.272 332 S C -1.837 172.775 174.600 0.021 0.000 1.352 332 S CA -0.397 57.813 58.200 0.017 0.000 1.021 332 S CB 0.311 63.516 63.200 0.008 0.000 0.887 332 S HN 0.541 nan 8.310 nan 0.000 0.542 333 P HA -0.080 nan 4.420 nan 0.000 0.217 333 P C 1.484 178.790 177.300 0.010 0.000 1.148 333 P CA 1.831 64.948 63.100 0.028 0.000 0.828 333 P CB -0.228 31.487 31.700 0.025 0.000 0.783 334 A N -0.237 122.584 122.820 0.002 0.000 1.873 334 A HA -0.026 4.294 4.320 0.000 0.000 0.215 334 A C 2.503 180.076 177.584 -0.018 0.000 1.186 334 A CA 1.910 53.942 52.037 -0.009 0.000 0.616 334 A CB -1.813 17.183 19.000 -0.008 0.000 0.823 334 A HN 0.271 nan 8.150 nan 0.000 0.442 335 G N -0.883 107.907 108.800 -0.017 0.000 2.422 335 G HA2 -0.249 3.711 3.960 0.000 0.000 0.218 335 G HA3 -0.249 3.711 3.960 0.000 0.000 0.218 335 G C 1.576 176.447 174.900 -0.048 0.000 1.146 335 G CA 1.302 46.385 45.100 -0.028 0.000 0.769 335 G HN 0.513 nan 8.290 nan 0.000 0.547 336 C N -0.088 119.186 119.300 -0.044 0.000 2.432 336 C HA -0.001 4.459 4.460 0.000 0.000 0.277 336 C C 2.858 177.795 174.990 -0.089 0.000 1.249 336 C CA 1.037 60.005 59.018 -0.084 0.000 1.725 336 C CB -0.862 26.874 27.740 -0.007 0.000 2.028 336 C HN 0.608 nan 8.230 nan 0.000 0.477 337 R N 1.060 121.530 120.500 -0.051 0.000 2.096 337 R HA -0.175 4.165 4.340 0.000 0.000 0.240 337 R C 1.633 177.892 176.300 -0.067 0.000 1.139 337 R CA 2.390 58.457 56.100 -0.056 0.000 0.952 337 R CB -0.507 29.769 30.300 -0.041 0.000 0.854 337 R HN 0.483 nan 8.270 nan 0.000 0.436 338 D N 0.352 120.717 120.400 -0.058 0.000 2.117 338 D HA -0.095 4.545 4.640 0.000 0.000 0.198 338 D C 1.864 178.124 176.300 -0.066 0.000 0.982 338 D CA 1.505 55.472 54.000 -0.055 0.000 0.828 338 D CB -0.405 40.370 40.800 -0.042 0.000 0.967 338 D HN 0.423 nan 8.370 nan 0.000 0.464 339 A N 1.150 123.923 122.820 -0.078 0.000 1.892 339 A HA -0.191 4.129 4.320 0.000 0.000 0.218 339 A C 2.172 179.694 177.584 -0.103 0.000 1.188 339 A CA 1.304 53.286 52.037 -0.091 0.000 0.631 339 A CB -0.864 18.064 19.000 -0.120 0.000 0.822 339 A HN 0.246 nan 8.150 nan 0.000 0.447 340 L N -0.724 120.425 121.223 -0.123 0.000 2.012 340 L HA -0.157 4.183 4.340 0.000 0.000 0.210 340 L C 2.294 179.097 176.870 -0.111 0.000 1.073 340 L CA 2.318 57.084 54.840 -0.122 0.000 0.748 340 L CB -0.750 41.237 42.059 -0.120 0.000 0.891 340 L HN 0.387 nan 8.230 nan 0.000 0.431 341 L N -0.652 120.513 121.223 -0.096 0.000 2.046 341 L HA -0.213 4.127 4.340 0.000 0.000 0.208 341 L C 2.491 179.310 176.870 -0.085 0.000 1.077 341 L CA 1.658 56.445 54.840 -0.089 0.000 0.747 341 L CB -0.786 41.230 42.059 -0.072 0.000 0.896 341 L HN 0.377 nan 8.230 nan 0.000 0.432 342 Q N -0.237 119.519 119.800 -0.073 0.000 2.096 342 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 342 Q C 2.344 178.303 176.000 -0.068 0.000 0.982 342 Q CA 1.946 57.714 55.803 -0.058 0.000 0.850 342 Q CB -0.619 28.093 28.738 -0.044 0.000 0.901 342 Q HN 0.562 nan 8.270 nan 0.000 0.422 343 L N 0.936 122.106 121.223 -0.089 0.000 2.265 343 L HA -0.147 4.193 4.340 0.000 0.000 0.215 343 L C 2.484 179.196 176.870 -0.263 0.000 1.117 343 L CA 1.503 56.269 54.840 -0.124 0.000 0.782 343 L CB -0.857 41.138 42.059 -0.108 0.000 0.914 343 L HN 0.337 nan 8.230 nan 0.000 0.441 344 T N -4.728 109.695 114.554 -0.219 0.000 2.915 344 T HA -0.111 4.239 4.350 0.000 0.000 0.269 344 T C 1.965 176.553 174.700 -0.187 0.000 1.071 344 T CA 1.212 63.167 62.100 -0.241 0.000 1.132 344 T CB -0.274 68.494 68.868 -0.166 0.000 0.878 344 T HN 0.216 nan 8.240 nan 0.000 0.479 345 S N 1.535 117.164 115.700 -0.119 0.000 2.400 345 S HA 0.033 4.503 4.470 0.000 0.000 0.232 345 S C 2.185 176.755 174.600 -0.051 0.000 1.025 345 S CA 1.104 59.262 58.200 -0.070 0.000 0.993 345 S CB -0.782 62.394 63.200 -0.040 0.000 0.808 345 S HN 0.790 nan 8.310 nan 0.000 0.478 346 G N 0.271 109.046 108.800 -0.042 0.000 3.042 346 G HA2 0.281 4.241 3.960 0.000 0.000 0.212 346 G HA3 0.281 4.241 3.960 0.000 0.000 0.212 346 G C 0.306 175.246 174.900 0.067 0.000 1.166 346 G CA -0.307 44.833 45.100 0.066 0.000 0.767 346 G HN 0.328 nan 8.290 nan 0.000 0.546 347 M N 0.778 120.268 119.600 -0.183 0.000 2.241 347 M HA 0.258 4.738 4.480 0.000 0.000 0.335 347 M C -0.299 175.967 176.300 -0.056 0.000 1.122 347 M CA -0.188 54.992 55.300 -0.200 0.000 1.164 347 M CB 1.950 34.313 32.600 -0.395 0.000 1.459 347 M HN -0.244 nan 8.290 nan 0.000 0.461 348 V N 2.673 122.579 119.914 -0.014 0.000 2.406 348 V HA 0.188 4.308 4.120 0.000 0.000 0.272 348 V C -0.004 176.093 176.094 0.005 0.000 1.043 348 V CA -0.564 61.706 62.300 -0.050 0.000 0.915 348 V CB 0.948 32.662 31.823 -0.182 0.000 0.988 348 V HN 0.780 nan 8.190 nan 0.000 0.466 349 Q N 2.242 122.025 119.800 -0.030 0.000 2.221 349 Q HA 0.616 4.956 4.340 0.000 0.000 0.242 349 Q C 0.221 176.191 176.000 -0.051 0.000 0.940 349 Q CA -0.393 55.386 55.803 -0.039 0.000 0.896 349 Q CB 1.906 30.597 28.738 -0.079 0.000 1.226 349 Q HN 0.956 nan 8.270 nan 0.000 0.463 350 T N -2.306 112.218 114.554 -0.050 0.000 2.907 350 T HA 0.447 4.797 4.350 0.000 0.000 0.290 350 T C -0.638 173.976 174.700 -0.143 0.000 1.066 350 T CA -0.844 61.216 62.100 -0.067 0.000 1.012 350 T CB 0.878 69.776 68.868 0.051 0.000 1.184 350 T HN 0.542 nan 8.240 nan 0.000 0.522 351 H N -0.576 118.527 119.070 0.056 0.000 2.547 351 H HA 0.540 5.096 4.556 0.000 0.000 0.362 351 H C 0.838 176.206 175.328 0.065 0.000 1.181 351 H CA -0.263 55.816 56.048 0.052 0.000 1.376 351 H CB 1.010 30.798 29.762 0.044 0.000 1.488 351 H HN 0.705 nan 8.280 nan 0.000 0.583 352 V N -0.524 119.514 119.914 0.206 0.000 3.262 352 V HA 0.249 4.369 4.120 0.000 0.000 0.313 352 V C 1.051 177.229 176.094 0.139 0.000 1.070 352 V CA -0.035 62.362 62.300 0.162 0.000 1.049 352 V CB 1.437 33.348 31.823 0.147 0.000 1.157 352 V HN 1.033 nan 8.190 nan 0.000 0.454 353 T N -2.038 112.587 114.554 0.118 0.000 3.015 353 T HA 0.227 4.577 4.350 0.000 0.000 0.250 353 T C 0.731 175.461 174.700 0.051 0.000 1.057 353 T CA 0.699 62.839 62.100 0.065 0.000 1.066 353 T CB -0.335 68.548 68.868 0.026 0.000 0.959 353 T HN 1.223 nan 8.240 nan 0.000 0.488 354 T N -0.816 113.787 114.554 0.082 0.000 2.906 354 T HA 0.531 4.881 4.350 0.000 0.000 0.295 354 T C -2.440 172.306 174.700 0.077 0.000 1.061 354 T CA -1.880 60.261 62.100 0.069 0.000 1.000 354 T CB 2.419 71.329 68.868 0.070 0.000 1.103 354 T HN -0.252 nan 8.240 nan 0.000 0.486 355 P HA 0.051 nan 4.420 nan 0.000 0.220 355 P C 1.455 178.787 177.300 0.052 0.000 1.148 355 P CA 1.026 64.154 63.100 0.047 0.000 0.803 355 P CB -0.364 31.355 31.700 0.032 0.000 0.782 356 G N -0.665 108.174 108.800 0.064 0.000 2.985 356 G HA2 -0.039 3.921 3.960 0.000 0.000 0.209 356 G HA3 -0.039 3.921 3.960 0.000 0.000 0.209 356 G C 1.553 176.502 174.900 0.082 0.000 1.165 356 G CA 0.095 45.234 45.100 0.065 0.000 0.776 356 G HN 0.159 nan 8.290 nan 0.000 0.541 357 S N 0.761 116.534 115.700 0.121 0.000 2.351 357 S HA -0.138 4.332 4.470 0.000 0.000 0.220 357 S C 2.258 176.851 174.600 -0.012 0.000 1.035 357 S CA 1.045 59.328 58.200 0.138 0.000 1.031 357 S CB -0.206 63.144 63.200 0.249 0.000 0.928 357 S HN 0.301 nan 8.310 nan 0.000 0.433 358 I N 2.222 122.800 120.570 0.014 0.000 2.118 358 I HA -0.148 4.022 4.170 0.000 0.000 0.241 358 I C -0.981 175.119 176.117 -0.029 0.000 1.070 358 I CA 1.461 62.753 61.300 -0.012 0.000 1.327 358 I CB -1.332 36.672 38.000 0.006 0.000 1.034 358 I HN 0.231 nan 8.210 nan 0.000 0.405 359 P HA -0.236 nan 4.420 nan 0.000 0.215 359 P C 1.874 179.156 177.300 -0.030 0.000 1.163 359 P CA 2.465 65.558 63.100 -0.012 0.000 0.894 359 P CB -0.346 31.357 31.700 0.006 0.000 0.791 360 T N -2.775 111.752 114.554 -0.046 0.000 2.951 360 T HA -0.054 4.296 4.350 0.000 0.000 0.268 360 T C 1.788 176.404 174.700 -0.139 0.000 1.073 360 T CA 0.809 62.864 62.100 -0.075 0.000 1.134 360 T CB -1.043 67.801 68.868 -0.040 0.000 0.884 360 T HN -0.054 nan 8.240 nan 0.000 0.479 361 I N 0.512 120.968 120.570 -0.190 0.000 2.202 361 I HA -0.081 4.089 4.170 0.000 0.000 0.242 361 I C 2.927 178.989 176.117 -0.090 0.000 1.091 361 I CA 0.779 61.979 61.300 -0.165 0.000 1.368 361 I CB -0.554 37.357 38.000 -0.150 0.000 1.058 361 I HN 0.347 nan 8.210 nan 0.000 0.410 362 C N 0.677 119.936 119.300 -0.069 0.000 2.422 362 C HA -0.172 4.288 4.460 0.000 0.000 0.279 362 C C 2.435 177.408 174.990 -0.029 0.000 1.305 362 C CA 1.069 60.059 59.018 -0.047 0.000 1.757 362 C CB -1.056 26.663 27.740 -0.035 0.000 1.962 362 C HN 0.501 nan 8.230 nan 0.000 0.499 363 D N 0.256 120.639 120.400 -0.028 0.000 2.149 363 D HA -0.037 4.604 4.640 0.000 0.000 0.201 363 D C 2.071 178.374 176.300 0.005 0.000 0.972 363 D CA 1.002 54.996 54.000 -0.009 0.000 0.835 363 D CB -0.266 40.530 40.800 -0.006 0.000 0.966 363 D HN 0.446 nan 8.370 nan 0.000 0.476 364 L N 0.252 121.471 121.223 -0.007 0.000 2.156 364 L HA -0.017 4.323 4.340 0.000 0.000 0.208 364 L C 2.393 179.295 176.870 0.053 0.000 1.095 364 L CA 0.805 55.659 54.840 0.024 0.000 0.770 364 L CB -0.222 41.837 42.059 -0.000 0.000 0.914 364 L HN -0.043 nan 8.230 nan 0.000 0.439 365 A N 0.406 123.228 122.820 0.003 0.000 1.968 365 A HA -0.128 4.192 4.320 0.000 0.000 0.217 365 A C 2.691 180.309 177.584 0.056 0.000 1.169 365 A CA 1.568 53.603 52.037 -0.003 0.000 0.638 365 A CB -0.602 18.349 19.000 -0.082 0.000 0.812 365 A HN 0.352 nan 8.150 nan 0.000 0.446 366 R N -0.169 120.351 120.500 0.033 0.000 2.066 366 R HA -0.092 4.248 4.340 0.000 0.000 0.232 366 R C 2.335 178.662 176.300 0.046 0.000 1.131 366 R CA 2.412 58.530 56.100 0.030 0.000 0.955 366 R CB -2.255 28.052 30.300 0.011 0.000 0.851 366 R HN 0.716 nan 8.270 nan 0.000 0.432 367 T N -1.399 113.189 114.554 0.057 0.000 2.821 367 T HA -0.096 4.254 4.350 0.000 0.000 0.267 367 T C 1.892 176.629 174.700 0.063 0.000 1.046 367 T CA 1.180 63.309 62.100 0.048 0.000 1.139 367 T CB -0.446 68.451 68.868 0.048 0.000 0.871 367 T HN 0.394 nan 8.240 nan 0.000 0.454 368 F N 2.529 122.461 119.950 -0.031 0.000 2.171 368 F HA 0.140 4.667 4.527 0.000 0.000 0.300 368 F C 2.579 178.345 175.800 -0.056 0.000 1.090 368 F CA 0.708 58.686 58.000 -0.036 0.000 1.293 368 F CB -0.554 38.431 39.000 -0.026 0.000 1.013 368 F HN 0.214 nan 8.300 nan 0.000 0.486 369 A N 0.637 123.529 122.820 0.121 0.000 1.972 369 A HA -0.148 4.172 4.320 0.000 0.000 0.219 369 A C 2.373 179.917 177.584 -0.066 0.000 1.169 369 A CA 2.022 54.074 52.037 0.026 0.000 0.635 369 A CB -1.311 17.706 19.000 0.028 0.000 0.810 369 A HN 0.414 nan 8.150 nan 0.000 0.446 370 R N 0.846 121.305 120.500 -0.068 0.000 2.091 370 R HA -0.070 4.270 4.340 0.000 0.000 0.238 370 R C 1.187 177.417 176.300 -0.116 0.000 1.136 370 R CA 1.764 57.818 56.100 -0.075 0.000 0.959 370 R CB -1.101 29.164 30.300 -0.057 0.000 0.856 370 R HN 0.895 nan 8.270 nan 0.000 0.437 371 E N 0.000 120.087 120.200 -0.188 0.000 2.725 371 E HA 0.000 4.350 4.350 0.000 0.000 0.291 371 E CA 0.000 56.264 56.400 -0.226 0.000 0.976 371 E CB 0.000 29.563 29.700 -0.229 0.000 0.812 371 E HN 0.000 nan 8.360 nan 0.000 0.440