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 1v35_1_B DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.518 175.510 0.013 0.000 1.280 96 N CA 0.000 53.056 53.050 0.010 0.000 0.885 96 N CB 0.000 38.494 38.487 0.012 0.000 1.341 97 E N -0.608 119.601 120.200 0.015 0.000 4.027 97 E HA -0.130 4.220 4.350 -0.000 0.000 0.338 97 E C -0.548 176.062 176.600 0.018 0.000 0.738 97 E CA 0.828 57.241 56.400 0.021 0.000 1.334 97 E CB -2.489 nan 29.700 nan 0.000 1.687 97 E HN 0.985 nan 8.360 nan 0.000 0.407 98 D N -0.251 120.153 120.400 0.008 0.000 2.325 98 D HA 0.538 5.178 4.640 -0.000 0.000 0.251 98 D C 0.402 176.699 176.300 -0.006 0.000 1.196 98 D CA 0.109 54.110 54.000 0.003 0.000 0.866 98 D CB 0.674 41.472 40.800 -0.004 0.000 1.101 98 D HN 0.624 nan 8.370 nan 0.000 0.476 99 I N 2.021 122.591 120.570 0.001 0.000 2.436 99 I HA 0.236 4.406 4.170 -0.000 0.000 0.289 99 I C -0.254 175.867 176.117 0.007 0.000 1.010 99 I CA -0.772 60.520 61.300 -0.012 0.000 1.098 99 I CB 2.238 40.233 38.000 -0.008 0.000 1.266 99 I HN 0.279 nan 8.210 nan 0.000 0.434 100 C N 7.005 126.303 119.300 -0.003 0.000 2.455 100 C HA 0.559 5.019 4.460 -0.000 0.000 0.320 100 C C -0.694 174.342 174.990 0.076 0.000 1.226 100 C CA -0.722 58.309 59.018 0.021 0.000 1.569 100 C CB 0.766 28.496 27.740 -0.017 0.000 2.200 100 C HN 0.733 nan 8.230 nan 0.000 0.491 101 F N 6.920 126.817 119.950 -0.088 0.000 2.388 101 F HA 0.701 5.227 4.527 -0.000 0.000 0.358 101 F C -0.432 175.277 175.800 -0.151 0.000 1.122 101 F CA -0.694 57.238 58.000 -0.112 0.000 1.056 101 F CB 0.583 39.507 39.000 -0.127 0.000 1.155 101 F HN 0.506 nan 8.300 nan 0.000 0.461 102 I N 6.730 126.941 120.570 -0.599 0.000 2.307 102 I HA 0.367 4.537 4.170 -0.000 0.000 0.289 102 I C -0.201 175.334 176.117 -0.970 0.000 1.021 102 I CA -0.623 60.315 61.300 -0.603 0.000 1.224 102 I CB 1.436 39.294 38.000 -0.236 0.000 1.376 102 I HN 0.718 nan 8.210 nan 0.000 0.470 103 A N 5.176 127.401 122.820 -0.992 0.000 2.294 103 A HA 0.707 5.027 4.320 -0.000 0.000 0.316 103 A C 0.628 177.976 177.584 -0.395 0.000 1.359 103 A CA -0.105 51.444 52.037 -0.813 0.000 0.956 103 A CB 0.162 18.684 19.000 -0.796 0.000 1.155 103 A HN 1.049 nan 8.150 nan 0.000 0.544 104 G N 2.064 110.711 108.800 -0.255 0.000 2.678 104 G HA2 0.003 3.963 3.960 -0.000 0.000 0.175 104 G HA3 0.003 3.963 3.960 -0.000 0.000 0.175 104 G C -0.675 174.091 174.900 -0.223 0.000 1.078 104 G CA -0.486 44.490 45.100 -0.208 0.000 0.864 104 G HN 0.693 nan 8.290 nan 0.000 0.521 105 I N 0.645 121.054 120.570 -0.269 0.000 2.466 105 I HA 0.615 4.785 4.170 -0.000 0.000 0.289 105 I C 1.091 176.966 176.117 -0.402 0.000 1.026 105 I CA -0.317 60.753 61.300 -0.384 0.000 1.078 105 I CB 2.090 39.676 38.000 -0.689 0.000 1.249 105 I HN 0.229 nan 8.210 nan 0.000 0.429 106 G N 3.826 112.469 108.800 -0.261 0.000 2.958 106 G HA2 0.281 4.241 3.960 -0.000 0.000 0.225 106 G HA3 0.281 4.241 3.960 -0.000 0.000 0.225 106 G C -0.318 174.640 174.900 0.096 0.000 1.036 106 G CA 0.265 45.294 45.100 -0.118 0.000 0.880 106 G HN 0.707 nan 8.290 nan 0.000 0.557 107 D N -2.251 118.170 120.400 0.034 0.000 3.182 107 D HA 0.236 4.876 4.640 -0.000 0.000 0.352 107 D C 0.526 176.637 176.300 -0.315 0.000 1.421 107 D CA 0.375 54.398 54.000 0.039 0.000 0.912 107 D CB -0.083 40.725 40.800 0.014 0.000 1.461 107 D HN -0.023 nan 8.370 nan 0.000 0.548 108 T N -3.415 110.756 114.554 -0.640 0.000 3.134 108 T HA 0.262 4.612 4.350 -0.000 0.000 0.260 108 T C 0.072 174.471 174.700 -0.502 0.000 1.027 108 T CA -0.337 61.117 62.100 -1.076 0.000 0.913 108 T CB -0.513 67.292 68.868 -1.772 0.000 1.046 108 T HN 0.329 nan 8.240 nan 0.000 0.553 109 N N 1.331 119.873 118.700 -0.263 0.000 2.235 109 N HA 0.248 4.988 4.740 -0.000 0.000 0.209 109 N C 0.800 176.220 175.510 -0.149 0.000 1.122 109 N CA 0.008 52.959 53.050 -0.165 0.000 0.845 109 N CB 0.993 39.406 38.487 -0.124 0.000 1.004 109 N HN 0.622 nan 8.380 nan 0.000 0.499 110 G N -0.898 107.833 108.800 -0.115 0.000 2.887 110 G HA2 0.312 4.272 3.960 -0.000 0.000 0.277 110 G HA3 0.312 4.272 3.960 -0.000 0.000 0.277 110 G C -0.029 174.813 174.900 -0.097 0.000 1.346 110 G CA -0.333 44.681 45.100 -0.143 0.000 1.058 110 G HN -0.040 nan 8.290 nan 0.000 0.535 111 Y N 0.446 120.755 120.300 0.014 0.000 2.373 111 Y HA 0.055 4.605 4.550 -0.000 0.000 0.293 111 Y C 2.855 178.753 175.900 -0.004 0.000 1.129 111 Y CA 1.167 59.276 58.100 0.014 0.000 1.226 111 Y CB -0.366 38.094 38.460 -0.001 0.000 1.000 111 Y HN 0.514 nan 8.280 nan 0.000 0.549 112 G N -0.517 108.346 108.800 0.105 0.000 2.422 112 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 112 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 112 G C 1.643 176.535 174.900 -0.013 0.000 1.146 112 G CA 0.609 45.699 45.100 -0.016 0.000 0.769 112 G HN 0.522 nan 8.290 nan 0.000 0.547 113 W N 1.641 122.861 121.300 -0.134 0.000 2.407 113 W HA -0.026 4.634 4.660 -0.000 0.000 0.305 113 W C 2.355 178.864 176.519 -0.017 0.000 1.196 113 W CA 1.325 58.605 57.345 -0.109 0.000 1.311 113 W CB -0.433 28.948 29.460 -0.131 0.000 1.135 113 W HN 0.238 nan 8.180 nan 0.000 0.514 114 G N 1.057 109.962 108.800 0.175 0.000 2.450 114 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 114 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 114 G C 1.521 176.436 174.900 0.026 0.000 1.130 114 G CA 1.119 46.288 45.100 0.114 0.000 0.760 114 G HN 0.297 nan 8.290 nan 0.000 0.557 115 I N 0.948 121.530 120.570 0.020 0.000 2.353 115 I HA -0.060 4.110 4.170 -0.000 0.000 0.248 115 I C 3.203 179.279 176.117 -0.068 0.000 1.119 115 I CA 0.718 62.010 61.300 -0.014 0.000 1.417 115 I CB -0.126 37.866 38.000 -0.013 0.000 1.078 115 I HN 0.236 nan 8.210 nan 0.000 0.421 116 A N 1.157 123.897 122.820 -0.134 0.000 1.873 116 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 116 A C 2.315 179.777 177.584 -0.204 0.000 1.186 116 A CA 1.485 53.426 52.037 -0.159 0.000 0.616 116 A CB -0.423 18.460 19.000 -0.195 0.000 0.823 116 A HN 0.261 nan 8.150 nan 0.000 0.442 117 K N -0.390 119.834 120.400 -0.293 0.000 2.044 117 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 117 K C 1.973 178.520 176.600 -0.088 0.000 1.049 117 K CA 1.543 57.711 56.287 -0.197 0.000 0.927 117 K CB -0.178 32.235 32.500 -0.145 0.000 0.713 117 K HN 0.390 nan 8.250 nan 0.000 0.443 118 E N 0.898 121.064 120.200 -0.057 0.000 2.110 118 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 118 E C 2.116 178.703 176.600 -0.022 0.000 0.988 118 E CA 0.931 57.319 56.400 -0.020 0.000 0.804 118 E CB -0.137 29.565 29.700 0.002 0.000 0.745 118 E HN 0.327 nan 8.360 nan 0.000 0.458 119 L N 0.566 121.767 121.223 -0.037 0.000 2.093 119 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 119 L C 2.456 179.304 176.870 -0.037 0.000 1.085 119 L CA 0.739 55.560 54.840 -0.032 0.000 0.755 119 L CB -0.279 41.756 42.059 -0.041 0.000 0.904 119 L HN 0.002 nan 8.230 nan 0.000 0.435 120 S N -0.189 115.479 115.700 -0.054 0.000 2.399 120 S HA -0.174 4.296 4.470 -0.000 0.000 0.231 120 S C 1.878 176.461 174.600 -0.027 0.000 1.022 120 S CA 1.165 59.334 58.200 -0.051 0.000 0.983 120 S CB -0.116 63.042 63.200 -0.070 0.000 0.803 120 S HN 0.357 nan 8.310 nan 0.000 0.480 121 K N 0.481 120.870 120.400 -0.020 0.000 2.209 121 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 121 K C 1.418 178.018 176.600 -0.001 0.000 1.048 121 K CA 0.915 57.199 56.287 -0.005 0.000 0.940 121 K CB -0.043 32.458 32.500 0.001 0.000 0.729 121 K HN 0.062 nan 8.250 nan 0.000 0.451 122 R N 0.772 121.271 120.500 -0.003 0.000 2.388 122 R HA 0.137 4.477 4.340 -0.000 0.000 0.247 122 R C -0.442 175.856 176.300 -0.003 0.000 0.931 122 R CA -0.023 56.078 56.100 0.002 0.000 1.082 122 R CB -0.138 30.167 30.300 0.008 0.000 1.135 122 R HN 0.172 nan 8.270 nan 0.000 0.525 123 N N -0.503 118.192 118.700 -0.009 0.000 2.783 123 N HA -0.147 4.593 4.740 -0.000 0.000 0.247 123 N C -1.075 174.425 175.510 -0.017 0.000 1.089 123 N CA 0.683 53.727 53.050 -0.011 0.000 0.690 123 N CB -1.498 36.987 38.487 -0.003 0.000 0.991 123 N HN -0.004 nan 8.380 nan 0.000 0.552 124 V N 0.393 120.291 119.914 -0.026 0.000 2.407 124 V HA 0.498 4.618 4.120 -0.000 0.000 0.278 124 V C 1.065 177.128 176.094 -0.052 0.000 1.037 124 V CA -0.404 61.876 62.300 -0.032 0.000 0.900 124 V CB 1.546 33.350 31.823 -0.031 0.000 0.983 124 V HN 0.386 nan 8.190 nan 0.000 0.459 125 K N 5.595 125.962 120.400 -0.055 0.000 2.379 125 K HA 0.480 4.800 4.320 -0.000 0.000 0.284 125 K C -0.505 176.023 176.600 -0.119 0.000 1.044 125 K CA -0.209 56.025 56.287 -0.089 0.000 0.974 125 K CB 0.122 32.571 32.500 -0.085 0.000 0.962 125 K HN 0.553 nan 8.250 nan 0.000 0.474 126 I N 2.766 123.234 120.570 -0.171 0.000 2.392 126 I HA 0.478 4.648 4.170 -0.000 0.000 0.295 126 I C 0.129 176.075 176.117 -0.285 0.000 0.985 126 I CA -1.474 59.703 61.300 -0.205 0.000 1.221 126 I CB 1.279 39.119 38.000 -0.266 0.000 1.366 126 I HN 0.593 nan 8.210 nan 0.000 0.467 127 I N 5.976 126.466 120.570 -0.132 0.000 2.439 127 I HA 0.347 4.517 4.170 -0.000 0.000 0.285 127 I C -0.531 175.719 176.117 0.221 0.000 1.021 127 I CA -0.389 60.892 61.300 -0.032 0.000 1.091 127 I CB 1.486 39.526 38.000 0.066 0.000 1.242 127 I HN 0.313 nan 8.210 nan 0.000 0.439 128 F N 3.586 123.570 119.950 0.057 0.000 2.410 128 F HA 0.463 4.990 4.527 -0.000 0.000 0.348 128 F C 1.101 176.966 175.800 0.109 0.000 1.106 128 F CA -0.822 57.171 58.000 -0.010 0.000 1.163 128 F CB 1.657 40.644 39.000 -0.022 0.000 1.129 128 F HN 0.465 nan 8.300 nan 0.000 0.516 129 G N 5.374 114.248 108.800 0.124 0.000 2.468 129 G HA2 0.591 4.551 3.960 -0.000 0.000 0.320 129 G HA3 0.591 4.551 3.960 -0.000 0.000 0.320 129 G C -0.884 174.127 174.900 0.185 0.000 1.137 129 G CA -0.447 44.786 45.100 0.221 0.000 0.984 129 G HN 0.563 nan 8.290 nan 0.000 0.462 130 I N 1.787 122.521 120.570 0.273 0.000 2.377 130 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 130 I C -0.262 176.031 176.117 0.293 0.000 0.987 130 I CA -1.011 60.406 61.300 0.196 0.000 1.185 130 I CB 1.893 40.007 38.000 0.190 0.000 1.341 130 I HN 0.418 nan 8.210 nan 0.000 0.455 131 W N 9.453 130.767 121.300 0.023 0.000 2.322 131 W HA 0.193 4.853 4.660 -0.000 0.000 0.328 131 W C -1.935 174.541 176.519 -0.073 0.000 1.395 131 W CA -1.889 55.437 57.345 -0.032 0.000 1.267 131 W CB 0.350 29.784 29.460 -0.043 0.000 1.259 131 W HN 0.387 nan 8.180 nan 0.000 0.560 132 P HA -0.240 nan 4.420 nan 0.000 0.216 132 P C -1.196 175.749 177.300 -0.591 0.000 1.157 132 P CA 2.936 65.650 63.100 -0.644 0.000 0.880 132 P CB -0.744 30.122 31.700 -1.390 0.000 0.791 133 P HA -0.133 nan 4.420 nan 0.000 0.218 133 P C 1.018 178.165 177.300 -0.255 0.000 1.146 133 P CA 1.442 64.202 63.100 -0.566 0.000 0.813 133 P CB -0.371 30.787 31.700 -0.905 0.000 0.778 134 V N -6.736 113.098 119.914 -0.133 0.000 3.253 134 V HA 0.230 4.350 4.120 -0.000 0.000 0.320 134 V C 1.652 177.836 176.094 0.150 0.000 1.442 134 V CA -0.387 61.940 62.300 0.045 0.000 1.097 134 V CB -1.283 30.612 31.823 0.121 0.000 1.008 134 V HN -0.057 nan 8.190 nan 0.000 0.463 135 Y N 2.876 123.166 120.300 -0.017 0.000 2.114 135 Y HA -0.152 4.398 4.550 -0.000 0.000 0.284 135 Y C 2.180 178.163 175.900 0.137 0.000 1.143 135 Y CA 2.605 60.742 58.100 0.062 0.000 1.135 135 Y CB -0.380 38.067 38.460 -0.021 0.000 0.980 135 Y HN 0.381 nan 8.280 nan 0.000 0.499 136 N N 0.487 119.218 118.700 0.051 0.000 2.069 136 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 136 N C 2.065 177.567 175.510 -0.014 0.000 1.031 136 N CA 1.742 54.772 53.050 -0.032 0.000 0.852 136 N CB -0.588 37.916 38.487 0.029 0.000 1.018 136 N HN 0.596 nan 8.380 nan 0.000 0.423 137 I N -0.513 120.082 120.570 0.041 0.000 2.163 137 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 137 I C 1.910 178.076 176.117 0.083 0.000 1.085 137 I CA 1.265 62.593 61.300 0.047 0.000 1.347 137 I CB -0.147 37.894 38.000 0.069 0.000 1.044 137 I HN 0.049 nan 8.210 nan 0.000 0.408 138 F N 1.248 121.219 119.950 0.036 0.000 2.065 138 F HA -0.323 4.204 4.527 -0.000 0.000 0.298 138 F C 2.429 178.305 175.800 0.127 0.000 1.112 138 F CA 2.025 60.114 58.000 0.147 0.000 1.212 138 F CB -0.298 38.786 39.000 0.140 0.000 0.975 138 F HN 0.038 nan 8.300 nan 0.000 0.476 139 M N 0.858 120.509 119.600 0.086 0.000 2.080 139 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 139 M C 2.519 178.805 176.300 -0.023 0.000 1.068 139 M CA 2.341 57.642 55.300 0.002 0.000 1.109 139 M CB -1.751 30.742 32.600 -0.179 0.000 1.342 139 M HN 0.252 nan 8.290 nan 0.000 0.405 140 K N 0.890 121.249 120.400 -0.069 0.000 2.020 140 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 140 K C 1.632 178.121 176.600 -0.185 0.000 1.050 140 K CA 2.021 58.251 56.287 -0.095 0.000 0.929 140 K CB -1.638 30.813 32.500 -0.081 0.000 0.714 140 K HN 0.485 nan 8.250 nan 0.000 0.443 141 N N -0.891 117.632 118.700 -0.296 0.000 2.149 141 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 141 N C 1.769 176.846 175.510 -0.721 0.000 1.019 141 N CA 1.684 54.381 53.050 -0.589 0.000 0.857 141 N CB -0.417 37.544 38.487 -0.876 0.000 0.997 141 N HN 0.651 nan 8.380 nan 0.000 0.426 142 Y N 2.129 122.049 120.300 -0.632 0.000 2.145 142 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 142 Y C 2.618 178.410 175.900 -0.180 0.000 1.145 142 Y CA 2.635 60.544 58.100 -0.318 0.000 1.148 142 Y CB -0.555 37.868 38.460 -0.062 0.000 0.981 142 Y HN 0.082 nan 8.280 nan 0.000 0.507 143 K N 0.478 120.776 120.400 -0.169 0.000 2.057 143 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 143 K C 1.570 178.035 176.600 -0.224 0.000 1.050 143 K CA 1.738 57.908 56.287 -0.194 0.000 0.935 143 K CB -1.160 31.304 32.500 -0.059 0.000 0.715 143 K HN 0.545 nan 8.250 nan 0.000 0.439 144 N N 0.390 118.959 118.700 -0.219 0.000 2.567 144 N HA 0.038 4.778 4.740 -0.000 0.000 0.195 144 N C 0.834 176.207 175.510 -0.229 0.000 1.242 144 N CA 0.856 53.787 53.050 -0.199 0.000 0.884 144 N CB -0.071 38.303 38.487 -0.188 0.000 1.007 144 N HN 0.651 nan 8.380 nan 0.000 0.450 145 G N 0.663 109.292 108.800 -0.285 0.000 2.356 145 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.296 145 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.296 145 G C 0.973 175.730 174.900 -0.238 0.000 1.022 145 G CA 1.018 45.967 45.100 -0.252 0.000 0.961 145 G HN 0.606 nan 8.290 nan 0.000 0.510 146 K N -0.987 119.175 120.400 -0.396 0.000 2.404 146 K HA 0.598 4.918 4.320 -0.000 0.000 0.194 146 K C 1.283 177.707 176.600 -0.294 0.000 1.023 146 K CA 1.176 57.221 56.287 -0.403 0.000 1.094 146 K CB -0.064 32.098 32.500 -0.564 0.000 0.841 146 K HN 0.506 nan 8.250 nan 0.000 0.523 147 F N 0.663 120.558 119.950 -0.091 0.000 2.706 147 F HA 0.197 4.724 4.527 -0.000 0.000 0.313 147 F C 1.029 176.867 175.800 0.063 0.000 1.096 147 F CA -1.345 56.627 58.000 -0.046 0.000 1.219 147 F CB 0.564 39.564 39.000 -0.000 0.000 1.051 147 F HN 0.098 nan 8.300 nan 0.000 0.568 148 D N 0.907 121.403 120.400 0.160 0.000 2.116 148 D HA -0.256 4.384 4.640 -0.000 0.000 0.193 148 D C 2.172 178.559 176.300 0.145 0.000 0.998 148 D CA 1.849 55.923 54.000 0.124 0.000 0.836 148 D CB -0.712 40.105 40.800 0.029 0.000 0.951 148 D HN 0.436 nan 8.370 nan 0.000 0.449 149 N N 1.563 120.333 118.700 0.116 0.000 2.084 149 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 149 N C 1.570 177.174 175.510 0.156 0.000 1.030 149 N CA 1.736 54.849 53.050 0.106 0.000 0.849 149 N CB -0.712 37.816 38.487 0.068 0.000 1.012 149 N HN 0.081 nan 8.380 nan 0.000 0.423 150 D N -0.494 120.024 120.400 0.197 0.000 2.378 150 D HA 0.027 4.667 4.640 -0.000 0.000 0.222 150 D C 1.336 177.937 176.300 0.501 0.000 0.980 150 D CA 0.481 54.649 54.000 0.280 0.000 0.907 150 D CB -0.097 40.757 40.800 0.090 0.000 0.899 150 D HN 0.632 nan 8.370 nan 0.000 0.527 151 M N -0.078 119.774 119.600 0.419 0.000 2.428 151 M HA 0.091 4.571 4.480 -0.000 0.000 0.239 151 M C -0.029 176.387 176.300 0.193 0.000 1.121 151 M CA -0.039 55.477 55.300 0.361 0.000 1.019 151 M CB 0.980 33.799 32.600 0.364 0.000 1.485 151 M HN -0.193 nan 8.290 nan 0.000 0.484 152 I N 2.157 122.828 120.570 0.168 0.000 2.379 152 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 152 I C -0.213 175.957 176.117 0.088 0.000 1.063 152 I CA 0.044 61.408 61.300 0.107 0.000 1.351 152 I CB -0.047 38.007 38.000 0.090 0.000 1.410 152 I HN 0.127 nan 8.210 nan 0.000 0.505 153 I N 4.710 125.316 120.570 0.061 0.000 2.410 153 I HA 0.361 4.531 4.170 -0.000 0.000 0.286 153 I C 0.332 176.469 176.117 0.033 0.000 1.009 153 I CA -0.085 61.240 61.300 0.042 0.000 1.111 153 I CB 1.516 39.529 38.000 0.021 0.000 1.262 153 I HN 0.816 nan 8.210 nan 0.000 0.443 154 D N 3.182 123.601 120.400 0.031 0.000 10.890 154 D HA 0.010 4.650 4.640 -0.000 0.000 0.359 154 D C 0.254 176.570 176.300 0.026 0.000 3.118 154 D CA 0.407 54.422 54.000 0.025 0.000 2.613 154 D CB -0.358 40.454 40.800 0.019 0.000 1.178 154 D HN 0.951 nan 8.370 nan 0.000 0.941 155 K N 0.058 120.471 120.400 0.022 0.000 2.401 155 K HA 0.492 4.812 4.320 -0.000 0.000 0.267 155 K C 2.047 178.661 176.600 0.024 0.000 1.140 155 K CA 1.958 58.258 56.287 0.022 0.000 1.199 155 K CB -1.745 30.765 32.500 0.017 0.000 0.822 155 K HN 2.475 nan 8.250 nan 0.000 0.488 156 D N -0.876 119.541 120.400 0.027 0.000 2.844 156 D HA -0.239 4.401 4.640 -0.000 0.000 0.175 156 D C 1.062 177.381 176.300 0.032 0.000 1.480 156 D CA 3.556 57.574 54.000 0.030 0.000 1.209 156 D CB -2.273 nan 40.800 nan 0.000 1.076 156 D HN 2.098 nan 8.370 nan 0.000 0.484 157 K N -0.174 120.243 120.400 0.028 0.000 2.504 157 K HA 0.512 4.832 4.320 -0.000 0.000 0.278 157 K C 0.441 177.062 176.600 0.034 0.000 1.025 157 K CA 1.502 57.804 56.287 0.026 0.000 1.093 157 K CB -0.757 31.755 32.500 0.019 0.000 0.873 157 K HN 1.871 nan 8.250 nan 0.000 0.483 158 K N 3.165 123.587 120.400 0.037 0.000 2.123 158 K HA 0.693 5.013 4.320 -0.000 0.000 0.259 158 K C 0.419 177.043 176.600 0.039 0.000 0.960 158 K CA -0.415 55.904 56.287 0.053 0.000 0.872 158 K CB 1.085 33.623 32.500 0.064 0.000 1.079 158 K HN 0.908 nan 8.250 nan 0.000 0.440 159 M N 2.094 121.719 119.600 0.043 0.000 2.246 159 M HA -0.048 4.432 4.480 -0.000 0.000 0.327 159 M C 0.103 176.397 176.300 -0.010 0.000 1.090 159 M CA 0.533 55.828 55.300 -0.009 0.000 1.087 159 M CB 0.388 32.961 32.600 -0.044 0.000 1.587 159 M HN 0.814 nan 8.290 nan 0.000 0.444 160 N N 5.832 124.499 118.700 -0.056 0.000 2.699 160 N HA 0.312 5.052 4.740 -0.000 0.000 0.232 160 N C -1.634 173.794 175.510 -0.136 0.000 1.027 160 N CA -0.175 52.838 53.050 -0.061 0.000 0.920 160 N CB 0.164 38.620 38.487 -0.051 0.000 1.148 160 N HN 0.600 nan 8.380 nan 0.000 0.509 161 I N 3.816 124.298 120.570 -0.147 0.000 2.304 161 I HA 0.064 4.234 4.170 -0.000 0.000 0.291 161 I C 1.381 177.376 176.117 -0.204 0.000 1.018 161 I CA -0.500 60.616 61.300 -0.306 0.000 1.260 161 I CB 1.636 39.407 38.000 -0.383 0.000 1.390 161 I HN 0.318 nan 8.210 nan 0.000 0.475 162 L N 5.109 126.189 121.223 -0.237 0.000 2.162 162 L HA 0.266 4.606 4.340 -0.000 0.000 0.205 162 L C 0.264 177.065 176.870 -0.115 0.000 1.086 162 L CA 1.858 56.600 54.840 -0.164 0.000 0.778 162 L CB -0.066 41.833 42.059 -0.266 0.000 0.928 162 L HN 0.623 nan 8.230 nan 0.000 0.446 163 D N -1.642 118.656 120.400 -0.171 0.000 2.683 163 D HA 0.373 5.013 4.640 -0.000 0.000 0.246 163 D C -1.436 174.854 176.300 -0.017 0.000 1.238 163 D CA -0.275 53.706 54.000 -0.031 0.000 0.759 163 D CB 1.382 42.216 40.800 0.057 0.000 1.349 163 D HN -0.045 nan 8.370 nan 0.000 0.426 164 M N 2.300 121.976 119.600 0.127 0.000 2.090 164 M HA 0.374 4.854 4.480 -0.000 0.000 0.277 164 M C -1.355 175.172 176.300 0.378 0.000 0.935 164 M CA -0.650 54.813 55.300 0.273 0.000 0.966 164 M CB 1.694 34.460 32.600 0.277 0.000 1.635 164 M HN 0.071 nan 8.290 nan 0.000 0.446 165 L N 5.485 126.924 121.223 0.360 0.000 2.346 165 L HA 0.714 5.054 4.340 -0.000 0.000 0.274 165 L C -2.161 174.832 176.870 0.206 0.000 1.007 165 L CA -2.054 52.949 54.840 0.272 0.000 0.818 165 L CB 1.238 43.437 42.059 0.234 0.000 1.284 165 L HN 0.358 nan 8.230 nan 0.000 0.424 166 P HA 0.197 nan 4.420 nan 0.000 0.276 166 P C -1.186 176.262 177.300 0.246 0.000 1.235 166 P CA -0.033 62.947 63.100 -0.200 0.000 0.772 166 P CB 0.624 31.996 31.700 -0.547 0.000 0.871 167 F N 2.949 122.985 119.950 0.143 0.000 2.607 167 F HA 0.375 4.902 4.527 -0.000 0.000 0.322 167 F C -1.674 174.319 175.800 0.322 0.000 1.176 167 F CA -0.783 57.383 58.000 0.277 0.000 0.977 167 F CB 1.806 41.001 39.000 0.326 0.000 1.242 167 F HN 0.109 nan 8.300 nan 0.000 0.465 168 D N 4.727 124.964 120.400 -0.272 0.000 2.471 168 D HA 0.429 5.069 4.640 -0.000 0.000 0.245 168 D C 0.444 176.386 176.300 -0.598 0.000 1.116 168 D CA -0.028 53.867 54.000 -0.175 0.000 0.853 168 D CB 2.152 43.166 40.800 0.356 0.000 1.123 168 D HN 0.744 nan 8.370 nan 0.000 0.540 169 A N 2.652 125.022 122.820 -0.751 0.000 2.216 169 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 169 A C 1.834 179.264 177.584 -0.256 0.000 1.160 169 A CA 0.807 52.558 52.037 -0.477 0.000 0.725 169 A CB 0.005 18.848 19.000 -0.262 0.000 0.784 169 A HN 0.474 nan 8.150 nan 0.000 0.472 170 S N -0.683 114.777 115.700 -0.401 0.000 2.461 170 S HA 0.158 4.628 4.470 -0.000 0.000 0.228 170 S C -0.141 174.196 174.600 -0.439 0.000 1.005 170 S CA 0.290 58.199 58.200 -0.485 0.000 0.942 170 S CB -0.175 62.553 63.200 -0.787 0.000 0.776 170 S HN 0.477 nan 8.310 nan 0.000 0.514 171 F N 2.092 122.076 119.950 0.057 0.000 2.411 171 F HA 0.431 4.958 4.527 -0.000 0.000 0.352 171 F C 0.860 176.682 175.800 0.036 0.000 1.123 171 F CA -1.958 56.076 58.000 0.057 0.000 1.044 171 F CB 0.833 39.875 39.000 0.070 0.000 1.135 171 F HN -0.104 nan 8.300 nan 0.000 0.461 172 D N 0.565 121.103 120.400 0.230 0.000 2.120 172 D HA -0.024 4.616 4.640 -0.000 0.000 0.202 172 D C 1.002 177.255 176.300 -0.077 0.000 0.972 172 D CA 1.443 55.513 54.000 0.117 0.000 0.837 172 D CB 0.238 41.193 40.800 0.258 0.000 0.989 172 D HN 0.579 nan 8.370 nan 0.000 0.469 173 T N -3.734 110.825 114.554 0.008 0.000 2.865 173 T HA 0.614 4.964 4.350 -0.000 0.000 0.294 173 T C 0.943 175.607 174.700 -0.060 0.000 1.119 173 T CA -0.281 61.781 62.100 -0.064 0.000 1.007 173 T CB 2.022 70.877 68.868 -0.021 0.000 1.225 173 T HN -0.101 nan 8.240 nan 0.000 0.515 174 A N 1.075 123.828 122.820 -0.111 0.000 2.024 174 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 174 A C 2.047 179.552 177.584 -0.132 0.000 1.164 174 A CA 1.531 53.471 52.037 -0.163 0.000 0.643 174 A CB -1.093 17.815 19.000 -0.153 0.000 0.806 174 A HN 0.831 nan 8.150 nan 0.000 0.451 175 N N 0.609 119.267 118.700 -0.070 0.000 2.309 175 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 175 N C 0.588 176.074 175.510 -0.041 0.000 1.018 175 N CA 1.359 54.381 53.050 -0.046 0.000 0.876 175 N CB -0.332 38.149 38.487 -0.010 0.000 0.972 175 N HN 0.508 nan 8.380 nan 0.000 0.434 176 D N 0.935 121.324 120.400 -0.018 0.000 2.317 176 D HA 0.046 4.686 4.640 -0.000 0.000 0.211 176 D C 0.715 176.981 176.300 -0.058 0.000 0.966 176 D CA 0.167 54.195 54.000 0.046 0.000 0.876 176 D CB 0.480 41.395 40.800 0.191 0.000 0.927 176 D HN 0.286 nan 8.370 nan 0.000 0.519 177 I N 3.060 123.432 120.570 -0.330 0.000 2.581 177 I HA -0.057 4.113 4.170 -0.000 0.000 0.285 177 I C 0.380 176.313 176.117 -0.308 0.000 1.129 177 I CA -0.416 60.482 61.300 -0.669 0.000 1.397 177 I CB 0.277 37.879 38.000 -0.662 0.000 1.399 177 I HN -0.087 nan 8.210 nan 0.000 0.537 178 D N 4.270 124.542 120.400 -0.213 0.000 2.357 178 D HA 0.232 4.872 4.640 -0.000 0.000 0.242 178 D C 1.205 177.442 176.300 -0.104 0.000 1.153 178 D CA -0.012 53.935 54.000 -0.088 0.000 0.918 178 D CB 0.776 41.572 40.800 -0.007 0.000 1.181 178 D HN 0.582 nan 8.370 nan 0.000 0.435 179 E N 0.730 120.891 120.200 -0.065 0.000 2.049 179 E HA -0.331 4.019 4.350 -0.000 0.000 0.198 179 E C 1.793 178.358 176.600 -0.058 0.000 1.007 179 E CA 2.046 58.413 56.400 -0.056 0.000 0.809 179 E CB -1.156 28.524 29.700 -0.035 0.000 0.749 179 E HN 0.836 nan 8.360 nan 0.000 0.450 180 E N -0.424 119.745 120.200 -0.052 0.000 2.058 180 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 180 E C 2.411 178.952 176.600 -0.098 0.000 0.997 180 E CA 1.845 58.213 56.400 -0.055 0.000 0.801 180 E CB -0.248 29.429 29.700 -0.038 0.000 0.746 180 E HN 0.522 nan 8.360 nan 0.000 0.450 181 T N 0.175 114.640 114.554 -0.147 0.000 2.746 181 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 181 T C 2.162 176.699 174.700 -0.273 0.000 1.039 181 T CA 2.218 64.129 62.100 -0.315 0.000 1.142 181 T CB -0.399 68.280 68.868 -0.316 0.000 0.866 181 T HN 0.338 nan 8.240 nan 0.000 0.444 182 K N 1.241 121.553 120.400 -0.146 0.000 2.147 182 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 182 K C 2.027 178.634 176.600 0.013 0.000 1.049 182 K CA 1.934 58.202 56.287 -0.031 0.000 0.936 182 K CB -1.880 30.588 32.500 -0.054 0.000 0.722 182 K HN 0.705 nan 8.250 nan 0.000 0.446 183 N N 1.130 119.819 118.700 -0.018 0.000 2.373 183 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 183 N C 0.921 176.441 175.510 0.015 0.000 1.082 183 N CA 0.201 53.253 53.050 0.004 0.000 0.885 183 N CB -0.298 38.184 38.487 -0.007 0.000 0.977 183 N HN 0.675 nan 8.380 nan 0.000 0.462 184 N N 1.020 119.719 118.700 -0.001 0.000 2.353 184 N HA -0.112 4.628 4.740 -0.000 0.000 0.248 184 N C 0.989 176.548 175.510 0.082 0.000 1.240 184 N CA 0.213 53.278 53.050 0.025 0.000 0.862 184 N CB 0.727 39.206 38.487 -0.012 0.000 1.086 184 N HN 0.489 nan 8.380 nan 0.000 0.453 185 K N 3.328 123.764 120.400 0.059 0.000 2.160 185 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 185 K C 1.201 177.833 176.600 0.054 0.000 1.047 185 K CA 1.294 57.611 56.287 0.050 0.000 0.930 185 K CB 0.140 32.657 32.500 0.029 0.000 0.720 185 K HN 0.576 nan 8.250 nan 0.000 0.450 186 R N -1.303 119.244 120.500 0.077 0.000 2.280 186 R HA 0.004 4.344 4.340 -0.000 0.000 0.195 186 R C 1.141 177.375 176.300 -0.109 0.000 0.935 186 R CA 0.421 56.511 56.100 -0.017 0.000 1.033 186 R CB 0.199 30.444 30.300 -0.092 0.000 0.964 186 R HN 0.261 nan 8.270 nan 0.000 0.489 187 Y N 0.154 120.384 120.300 -0.117 0.000 2.535 187 Y HA 0.083 4.633 4.550 -0.000 0.000 0.266 187 Y C 2.659 178.543 175.900 -0.027 0.000 1.088 187 Y CA 0.419 58.423 58.100 -0.160 0.000 1.285 187 Y CB -0.797 37.553 38.460 -0.183 0.000 1.166 187 Y HN 0.176 nan 8.280 nan 0.000 0.525 188 N N 1.289 120.080 118.700 0.153 0.000 2.073 188 N HA -0.349 4.391 4.740 -0.000 0.000 0.199 188 N C 1.824 177.392 175.510 0.097 0.000 1.023 188 N CA 3.398 56.513 53.050 0.109 0.000 0.880 188 N CB -1.054 37.476 38.487 0.072 0.000 1.052 188 N HN 0.348 nan 8.380 nan 0.000 0.449 189 M N 0.118 119.763 119.600 0.076 0.000 2.568 189 M HA 0.638 5.118 4.480 -0.000 0.000 0.226 189 M C 0.701 177.050 176.300 0.082 0.000 1.148 189 M CA 0.280 55.623 55.300 0.073 0.000 1.007 189 M CB -1.000 nan 32.600 nan 0.000 1.651 189 M HN 0.462 nan 8.290 nan 0.000 0.488 190 L N 0.519 121.801 121.223 0.098 0.000 2.330 190 L HA 0.859 5.199 4.340 -0.000 0.000 0.271 190 L C 0.244 177.274 176.870 0.267 0.000 1.013 190 L CA -0.817 54.091 54.840 0.113 0.000 0.816 190 L CB 1.597 43.628 42.059 -0.046 0.000 1.287 190 L HN 0.518 nan 8.230 nan 0.000 0.435 191 Q N 0.236 120.168 119.800 0.221 0.000 2.501 191 Q HA 0.377 4.717 4.340 -0.000 0.000 0.288 191 Q C -0.219 175.810 176.000 0.050 0.000 1.051 191 Q CA -0.786 55.083 55.803 0.110 0.000 0.788 191 Q CB 1.320 30.082 28.738 0.041 0.000 1.469 191 Q HN 0.695 nan 8.270 nan 0.000 0.416 192 N N -0.017 118.604 118.700 -0.132 0.000 2.725 192 N HA -0.192 4.548 4.740 -0.000 0.000 0.251 192 N C -0.131 175.375 175.510 -0.007 0.000 1.031 192 N CA 1.580 54.565 53.050 -0.110 0.000 0.720 192 N CB -1.447 37.024 38.487 -0.026 0.000 0.930 192 N HN 0.968 nan 8.380 nan 0.000 0.543 193 Y N -2.004 118.344 120.300 0.080 0.000 2.507 193 Y HA 0.267 4.817 4.550 -0.000 0.000 0.254 193 Y C 1.326 177.342 175.900 0.193 0.000 1.171 193 Y CA -0.202 57.984 58.100 0.145 0.000 1.238 193 Y CB -0.353 38.168 38.460 0.102 0.000 1.148 193 Y HN 0.105 nan 8.280 nan 0.000 0.525 194 T N -2.217 112.373 114.554 0.060 0.000 2.816 194 T HA 0.280 4.630 4.350 -0.000 0.000 0.282 194 T C 1.269 176.074 174.700 0.176 0.000 0.993 194 T CA -0.469 61.710 62.100 0.132 0.000 0.994 194 T CB 1.059 69.926 68.868 -0.002 0.000 1.025 194 T HN 0.288 nan 8.240 nan 0.000 0.529 195 I N 0.262 120.932 120.570 0.166 0.000 2.208 195 I HA -0.133 4.037 4.170 -0.000 0.000 0.245 195 I C 2.897 178.982 176.117 -0.054 0.000 1.097 195 I CA 1.757 63.222 61.300 0.275 0.000 1.363 195 I CB -0.414 37.736 38.000 0.251 0.000 1.051 195 I HN 0.875 nan 8.210 nan 0.000 0.413 196 E N 1.020 120.955 120.200 -0.441 0.000 2.072 196 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 196 E C 1.602 178.074 176.600 -0.214 0.000 0.985 196 E CA 1.386 57.448 56.400 -0.564 0.000 0.801 196 E CB 0.090 29.406 29.700 -0.640 0.000 0.750 196 E HN 0.429 nan 8.360 nan 0.000 0.452 197 D N 0.113 120.433 120.400 -0.134 0.000 2.178 197 D HA -0.124 4.516 4.640 -0.000 0.000 0.202 197 D C 2.051 178.319 176.300 -0.054 0.000 0.974 197 D CA 0.806 54.756 54.000 -0.083 0.000 0.841 197 D CB 0.032 40.780 40.800 -0.086 0.000 0.953 197 D HN 0.140 nan 8.370 nan 0.000 0.478 198 V N 1.474 121.387 119.914 -0.002 0.000 2.453 198 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 198 V C 2.561 178.519 176.094 -0.227 0.000 1.048 198 V CA 1.501 63.787 62.300 -0.024 0.000 1.049 198 V CB -0.661 31.239 31.823 0.128 0.000 0.672 198 V HN 0.147 nan 8.190 nan 0.000 0.457 199 A N 0.677 123.264 122.820 -0.388 0.000 1.877 199 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 199 A C 2.061 179.442 177.584 -0.337 0.000 1.186 199 A CA 2.295 53.880 52.037 -0.754 0.000 0.620 199 A CB -0.855 17.651 19.000 -0.823 0.000 0.822 199 A HN 0.681 nan 8.150 nan 0.000 0.443 200 N N -0.562 118.032 118.700 -0.178 0.000 2.120 200 N HA -0.154 4.586 4.740 -0.000 0.000 0.188 200 N C 1.670 177.164 175.510 -0.027 0.000 1.024 200 N CA 1.222 54.240 53.050 -0.054 0.000 0.852 200 N CB -0.224 38.239 38.487 -0.039 0.000 1.003 200 N HN 0.360 nan 8.380 nan 0.000 0.424 201 L N 1.695 122.889 121.223 -0.049 0.000 2.017 201 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 201 L C 1.905 178.785 176.870 0.016 0.000 1.073 201 L CA 1.384 56.213 54.840 -0.018 0.000 0.745 201 L CB -0.483 41.575 42.059 -0.002 0.000 0.894 201 L HN 0.182 nan 8.230 nan 0.000 0.432 202 I N -1.322 119.253 120.570 0.007 0.000 2.226 202 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 202 I C 2.523 178.737 176.117 0.160 0.000 1.100 202 I CA 1.433 62.801 61.300 0.114 0.000 1.374 202 I CB -0.500 37.481 38.000 -0.033 0.000 1.057 202 I HN 0.420 nan 8.210 nan 0.000 0.413 203 H N 1.327 120.368 119.070 -0.049 0.000 2.293 203 H HA -0.209 4.347 4.556 -0.000 0.000 0.300 203 H C 2.325 177.634 175.328 -0.031 0.000 1.082 203 H CA 2.649 58.673 56.048 -0.039 0.000 1.308 203 H CB -0.468 29.246 29.762 -0.081 0.000 1.375 203 H HN 0.353 nan 8.280 nan 0.000 0.495 204 Q N 1.253 120.984 119.800 -0.115 0.000 2.124 204 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 204 Q C 2.380 178.260 176.000 -0.199 0.000 0.977 204 Q CA 1.952 57.637 55.803 -0.195 0.000 0.850 204 Q CB -0.438 28.230 28.738 -0.118 0.000 0.901 204 Q HN 0.633 nan 8.270 nan 0.000 0.429 205 K N -1.826 118.456 120.400 -0.197 0.000 2.166 205 K HA 0.072 4.391 4.320 -0.000 0.000 0.201 205 K C 1.117 177.336 176.600 -0.634 0.000 1.052 205 K CA 1.237 57.253 56.287 -0.450 0.000 0.969 205 K CB 0.342 32.471 32.500 -0.617 0.000 0.761 205 K HN 0.664 nan 8.250 nan 0.000 0.459 206 Y N -0.677 119.606 120.300 -0.028 0.000 2.527 206 Y HA 0.252 4.802 4.550 -0.000 0.000 0.247 206 Y C 0.854 176.756 175.900 0.004 0.000 1.138 206 Y CA -0.043 58.052 58.100 -0.008 0.000 1.228 206 Y CB 1.350 39.816 38.460 0.009 0.000 1.252 206 Y HN 0.159 nan 8.280 nan 0.000 0.531 207 G N 1.224 110.089 108.800 0.109 0.000 2.615 207 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 207 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 207 G C -0.709 174.357 174.900 0.277 0.000 1.339 207 G CA -0.947 44.228 45.100 0.126 0.000 0.884 207 G HN 0.107 nan 8.290 nan 0.000 0.559 208 K N 0.372 120.913 120.400 0.236 0.000 2.237 208 K HA 0.558 4.878 4.320 -0.000 0.000 0.270 208 K C 0.972 177.641 176.600 0.115 0.000 1.015 208 K CA 0.252 56.633 56.287 0.157 0.000 0.949 208 K CB 1.095 33.655 32.500 0.100 0.000 0.976 208 K HN 0.697 nan 8.250 nan 0.000 0.472 209 I N -0.913 119.716 120.570 0.100 0.000 3.205 209 I HA 0.361 4.531 4.170 -0.000 0.000 0.310 209 I C 0.286 176.446 176.117 0.071 0.000 1.089 209 I CA -0.861 60.493 61.300 0.090 0.000 1.023 209 I CB 1.450 39.520 38.000 0.117 0.000 1.269 209 I HN 0.618 nan 8.210 nan 0.000 0.512 210 N N 1.276 120.009 118.700 0.054 0.000 2.142 210 N HA 0.295 5.035 4.740 -0.000 0.000 0.233 210 N C -0.910 174.610 175.510 0.017 0.000 1.335 210 N CA -0.212 52.858 53.050 0.033 0.000 0.837 210 N CB 0.652 39.152 38.487 0.022 0.000 1.238 210 N HN 0.742 nan 8.380 nan 0.000 0.501 211 M N 1.201 120.815 119.600 0.023 0.000 2.277 211 M HA 0.369 4.849 4.480 -0.000 0.000 0.282 211 M C -2.060 174.238 176.300 -0.004 0.000 1.074 211 M CA -0.703 54.595 55.300 -0.004 0.000 0.954 211 M CB 2.986 35.578 32.600 -0.015 0.000 1.672 211 M HN -0.002 nan 8.290 nan 0.000 0.471 212 L N 4.264 125.461 121.223 -0.044 0.000 2.381 212 L HA 0.799 5.138 4.340 -0.000 0.000 0.274 212 L C -1.622 175.171 176.870 -0.129 0.000 0.988 212 L CA -0.534 54.247 54.840 -0.098 0.000 0.824 212 L CB 2.095 44.072 42.059 -0.137 0.000 1.263 212 L HN 0.514 nan 8.230 nan 0.000 0.410 213 V N 4.757 124.556 119.914 -0.191 0.000 2.378 213 V HA 0.356 4.475 4.120 -0.000 0.000 0.288 213 V C -0.615 175.359 176.094 -0.200 0.000 1.016 213 V CA -0.617 61.582 62.300 -0.168 0.000 0.840 213 V CB 1.211 32.935 31.823 -0.164 0.000 0.994 213 V HN 0.758 nan 8.190 nan 0.000 0.431 214 H N 4.023 122.972 119.070 -0.200 0.000 2.690 214 H HA 0.383 4.939 4.556 -0.000 0.000 0.289 214 H C -0.156 175.092 175.328 -0.134 0.000 1.089 214 H CA 0.060 56.005 56.048 -0.172 0.000 1.299 214 H CB 1.537 31.224 29.762 -0.126 0.000 1.405 214 H HN 0.612 nan 8.280 nan 0.000 0.463 215 S N 6.948 122.508 115.700 -0.233 0.000 2.422 215 S HA 0.307 4.777 4.470 -0.000 0.000 0.226 215 S C -0.859 173.627 174.600 -0.190 0.000 1.242 215 S CA -0.738 57.387 58.200 -0.125 0.000 1.231 215 S CB -1.066 62.066 63.200 -0.114 0.000 1.067 215 S HN 0.625 nan 8.310 nan 0.000 0.462 216 L N -0.346 120.697 121.223 -0.299 0.000 2.393 216 L HA 1.118 5.458 4.340 -0.000 0.000 0.260 216 L C -0.866 175.926 176.870 -0.131 0.000 1.002 216 L CA -0.891 53.788 54.840 -0.267 0.000 0.818 216 L CB 1.679 43.506 42.059 -0.386 0.000 1.369 216 L HN 0.117 nan 8.230 nan 0.000 0.412 217 A N 1.699 124.428 122.820 -0.150 0.000 2.589 217 A HA 0.817 5.137 4.320 -0.000 0.000 0.296 217 A C -1.622 175.844 177.584 -0.196 0.000 1.062 217 A CA -0.489 51.484 52.037 -0.108 0.000 0.686 217 A CB 1.655 20.635 19.000 -0.034 0.000 1.282 217 A HN 0.967 nan 8.150 nan 0.000 0.404 218 N N -0.524 118.064 118.700 -0.186 0.000 2.555 218 N HA 0.619 5.359 4.740 -0.000 0.000 0.265 218 N C -1.399 174.018 175.510 -0.155 0.000 1.135 218 N CA -0.000 52.923 53.050 -0.211 0.000 0.925 218 N CB 1.912 40.207 38.487 -0.320 0.000 1.662 218 N HN 1.374 nan 8.380 nan 0.000 0.489 219 A N 2.436 125.179 122.820 -0.130 0.000 2.509 219 A HA 0.274 4.594 4.320 -0.000 0.000 0.282 219 A C 0.218 177.759 177.584 -0.072 0.000 1.054 219 A CA -0.564 51.406 52.037 -0.111 0.000 0.820 219 A CB 1.172 20.080 19.000 -0.154 0.000 1.333 219 A HN 0.765 nan 8.150 nan 0.000 0.409 220 K N 0.874 121.250 120.400 -0.041 0.000 2.103 220 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 220 K C 0.391 176.980 176.600 -0.018 0.000 1.048 220 K CA 1.766 58.046 56.287 -0.013 0.000 0.930 220 K CB 0.182 32.684 32.500 0.005 0.000 0.716 220 K HN 0.789 nan 8.250 nan 0.000 0.444 221 E N 0.689 120.872 120.200 -0.029 0.000 2.499 221 E HA 0.008 4.358 4.350 -0.000 0.000 0.207 221 E C 0.724 177.291 176.600 -0.056 0.000 1.034 221 E CA -0.197 56.186 56.400 -0.028 0.000 1.098 221 E CB 0.817 30.512 29.700 -0.007 0.000 1.148 221 E HN -0.021 nan 8.360 nan 0.000 0.447 222 V N 0.783 120.645 119.914 -0.086 0.000 2.720 222 V HA -0.282 3.838 4.120 -0.000 0.000 0.256 222 V C 1.711 177.732 176.094 -0.121 0.000 1.082 222 V CA 1.929 64.144 62.300 -0.141 0.000 1.101 222 V CB -0.080 31.634 31.823 -0.182 0.000 0.693 222 V HN 0.397 nan 8.190 nan 0.000 0.479 223 Q N -0.364 119.393 119.800 -0.072 0.000 2.378 223 Q HA 0.013 4.353 4.340 -0.000 0.000 0.205 223 Q C 0.513 176.487 176.000 -0.043 0.000 0.954 223 Q CA 0.590 56.362 55.803 -0.052 0.000 0.901 223 Q CB 0.151 28.874 28.738 -0.025 0.000 0.981 223 Q HN 0.590 nan 8.270 nan 0.000 0.483 224 K N 1.754 122.130 120.400 -0.040 0.000 2.098 224 K HA 0.139 4.459 4.320 -0.000 0.000 0.258 224 K C -0.697 175.886 176.600 -0.028 0.000 0.973 224 K CA -0.703 55.569 56.287 -0.025 0.000 0.898 224 K CB 0.934 33.426 32.500 -0.013 0.000 1.057 224 K HN -0.004 nan 8.250 nan 0.000 0.447 225 D N 0.848 121.239 120.400 -0.015 0.000 2.358 225 D HA -0.031 4.609 4.640 -0.000 0.000 0.244 225 D C 0.977 177.283 176.300 0.009 0.000 1.163 225 D CA -0.635 53.360 54.000 -0.007 0.000 0.945 225 D CB 0.562 41.362 40.800 0.001 0.000 1.152 225 D HN 0.266 nan 8.370 nan 0.000 0.451 226 L N 0.854 122.092 121.223 0.025 0.000 2.034 226 L HA -0.200 4.140 4.340 -0.000 0.000 0.217 226 L C 1.994 178.883 176.870 0.032 0.000 1.077 226 L CA 1.703 56.574 54.840 0.052 0.000 0.769 226 L CB -0.648 41.453 42.059 0.070 0.000 0.890 226 L HN 0.680 nan 8.230 nan 0.000 0.435 227 L N -0.642 120.591 121.223 0.016 0.000 2.187 227 L HA -0.227 4.113 4.340 -0.000 0.000 0.213 227 L C 1.361 178.228 176.870 -0.005 0.000 1.100 227 L CA 1.462 56.302 54.840 -0.000 0.000 0.765 227 L CB -0.370 41.689 42.059 0.000 0.000 0.904 227 L HN 0.514 nan 8.230 nan 0.000 0.437 228 N N -0.934 117.767 118.700 0.001 0.000 2.230 228 N HA 0.047 4.787 4.740 -0.000 0.000 0.202 228 N C -0.036 175.477 175.510 0.004 0.000 1.119 228 N CA 0.092 53.141 53.050 -0.001 0.000 0.851 228 N CB 0.513 38.999 38.487 -0.001 0.000 0.990 228 N HN 0.149 nan 8.380 nan 0.000 0.497 229 T N 1.089 115.652 114.554 0.015 0.000 2.869 229 T HA 0.153 4.503 4.350 -0.000 0.000 0.295 229 T C 0.875 175.590 174.700 0.024 0.000 0.987 229 T CA -0.334 61.787 62.100 0.035 0.000 1.109 229 T CB 1.200 70.119 68.868 0.086 0.000 0.932 229 T HN 0.161 nan 8.240 nan 0.000 0.518 230 S N 3.111 118.828 115.700 0.028 0.000 2.632 230 S HA 0.293 4.763 4.470 -0.000 0.000 0.267 230 S C 1.403 176.023 174.600 0.033 0.000 1.276 230 S CA -0.885 57.324 58.200 0.016 0.000 0.998 230 S CB 1.046 64.256 63.200 0.015 0.000 0.953 230 S HN 0.770 nan 8.310 nan 0.000 0.547 231 R N 0.986 121.489 120.500 0.006 0.000 2.080 231 R HA -0.121 4.219 4.340 -0.000 0.000 0.236 231 R C 2.634 178.979 176.300 0.075 0.000 1.137 231 R CA 2.089 58.197 56.100 0.015 0.000 0.943 231 R CB -1.199 29.094 30.300 -0.011 0.000 0.846 231 R HN 0.831 nan 8.270 nan 0.000 0.431 232 K N -0.026 120.404 120.400 0.049 0.000 2.063 232 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 232 K C 2.163 178.798 176.600 0.059 0.000 1.048 232 K CA 1.791 58.107 56.287 0.048 0.000 0.928 232 K CB -1.717 30.800 32.500 0.029 0.000 0.713 232 K HN 0.598 nan 8.250 nan 0.000 0.442 233 G N -1.048 107.790 108.800 0.062 0.000 2.408 233 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 233 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 233 G C 1.690 176.635 174.900 0.074 0.000 1.150 233 G CA 1.084 46.215 45.100 0.052 0.000 0.776 233 G HN 0.650 nan 8.290 nan 0.000 0.542 234 Y N 1.051 121.338 120.300 -0.021 0.000 2.114 234 Y HA -0.023 4.527 4.550 -0.000 0.000 0.284 234 Y C 2.621 178.512 175.900 -0.015 0.000 1.143 234 Y CA 1.422 59.510 58.100 -0.020 0.000 1.135 234 Y CB -0.171 38.281 38.460 -0.014 0.000 0.980 234 Y HN 0.077 nan 8.280 nan 0.000 0.499 235 L N 0.014 121.351 121.223 0.190 0.000 2.131 235 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 235 L C 2.082 178.952 176.870 0.000 0.000 1.092 235 L CA 1.791 56.682 54.840 0.085 0.000 0.759 235 L CB -0.669 41.447 42.059 0.096 0.000 0.903 235 L HN 0.324 nan 8.230 nan 0.000 0.435 236 D N 0.196 120.596 120.400 0.000 0.000 2.097 236 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 236 D C 2.203 178.465 176.300 -0.063 0.000 0.989 236 D CA 1.352 55.337 54.000 -0.025 0.000 0.827 236 D CB 0.173 40.965 40.800 -0.013 0.000 0.966 236 D HN 0.235 nan 8.370 nan 0.000 0.456 237 A N 0.434 123.198 122.820 -0.093 0.000 1.877 237 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 237 A C 2.242 179.746 177.584 -0.134 0.000 1.186 237 A CA 1.012 52.968 52.037 -0.135 0.000 0.620 237 A CB -0.838 18.049 19.000 -0.187 0.000 0.822 237 A HN 0.363 nan 8.150 nan 0.000 0.443 238 L N -0.169 120.953 121.223 -0.169 0.000 2.083 238 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 238 L C 2.848 179.710 176.870 -0.013 0.000 1.083 238 L CA 2.217 56.985 54.840 -0.118 0.000 0.752 238 L CB -1.371 40.601 42.059 -0.145 0.000 0.899 238 L HN 0.552 nan 8.230 nan 0.000 0.433 239 S N -0.263 115.433 115.700 -0.008 0.000 2.356 239 S HA -0.181 4.289 4.470 -0.000 0.000 0.223 239 S C 1.936 176.571 174.600 0.058 0.000 1.032 239 S CA 1.331 59.557 58.200 0.044 0.000 1.005 239 S CB 0.126 63.323 63.200 -0.005 0.000 0.867 239 S HN 0.415 nan 8.310 nan 0.000 0.449 240 K N 0.246 120.634 120.400 -0.021 0.000 2.186 240 K HA 0.179 4.499 4.320 -0.000 0.000 0.202 240 K C 2.266 178.849 176.600 -0.028 0.000 1.052 240 K CA 1.143 57.392 56.287 -0.063 0.000 0.965 240 K CB -0.090 32.322 32.500 -0.146 0.000 0.746 240 K HN 0.233 nan 8.250 nan 0.000 0.457 241 S N 0.096 115.785 115.700 -0.018 0.000 2.456 241 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 241 S C 1.727 176.356 174.600 0.049 0.000 1.035 241 S CA 0.579 58.792 58.200 0.023 0.000 0.940 241 S CB 0.324 63.509 63.200 -0.025 0.000 0.799 241 S HN 0.137 nan 8.310 nan 0.000 0.508 242 S N -0.144 115.570 115.700 0.023 0.000 2.811 242 S HA 0.191 4.661 4.470 -0.000 0.000 0.237 242 S C 1.452 176.056 174.600 0.007 0.000 1.038 242 S CA -0.192 58.002 58.200 -0.010 0.000 0.881 242 S CB -0.630 62.567 63.200 -0.005 0.000 0.815 242 S HN 0.482 nan 8.310 nan 0.000 0.582 243 Y N 3.971 124.267 120.300 -0.006 0.000 2.256 243 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 243 Y C 2.549 178.484 175.900 0.059 0.000 1.155 243 Y CA 1.451 59.564 58.100 0.021 0.000 1.203 243 Y CB -0.645 37.829 38.460 0.023 0.000 0.980 243 Y HN 0.380 nan 8.280 nan 0.000 0.530 244 S N -0.034 115.684 115.700 0.031 0.000 2.402 244 S HA -0.265 4.205 4.470 -0.000 0.000 0.233 244 S C 2.108 176.740 174.600 0.053 0.000 1.030 244 S CA 1.491 59.736 58.200 0.075 0.000 1.003 244 S CB -1.098 62.208 63.200 0.177 0.000 0.813 244 S HN 0.610 nan 8.310 nan 0.000 0.477 245 L N 0.930 122.121 121.223 -0.055 0.000 2.017 245 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 245 L C 2.484 179.261 176.870 -0.154 0.000 1.073 245 L CA 1.678 56.421 54.840 -0.162 0.000 0.745 245 L CB -0.426 41.390 42.059 -0.405 0.000 0.894 245 L HN 0.353 nan 8.230 nan 0.000 0.432 246 I N -1.003 119.402 120.570 -0.274 0.000 2.179 246 I HA -0.337 3.833 4.170 -0.000 0.000 0.242 246 I C 2.788 178.742 176.117 -0.272 0.000 1.088 246 I CA 1.506 62.625 61.300 -0.302 0.000 1.357 246 I CB -0.387 37.352 38.000 -0.435 0.000 1.051 246 I HN 0.259 nan 8.210 nan 0.000 0.409 247 S N 0.896 116.358 115.700 -0.398 0.000 2.356 247 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 247 S C 2.104 176.838 174.600 0.224 0.000 1.032 247 S CA 1.234 59.410 58.200 -0.039 0.000 1.005 247 S CB -0.324 62.911 63.200 0.059 0.000 0.867 247 S HN 0.296 nan 8.310 nan 0.000 0.449 248 L N 0.714 122.053 121.223 0.194 0.000 2.013 248 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 248 L C 2.741 179.764 176.870 0.256 0.000 1.073 248 L CA 1.632 56.639 54.840 0.279 0.000 0.753 248 L CB -0.751 41.377 42.059 0.116 0.000 0.890 248 L HN 0.494 nan 8.230 nan 0.000 0.432 249 C N -0.655 118.692 119.300 0.079 0.000 2.432 249 C HA -0.199 4.261 4.460 -0.000 0.000 0.277 249 C C 2.863 177.846 174.990 -0.012 0.000 1.249 249 C CA 0.926 59.952 59.018 0.014 0.000 1.725 249 C CB -0.735 26.970 27.740 -0.059 0.000 2.028 249 C HN 0.463 nan 8.230 nan 0.000 0.477 250 K N -0.350 120.021 120.400 -0.049 0.000 2.044 250 K HA -0.204 4.116 4.320 -0.000 0.000 0.210 250 K C 1.828 178.277 176.600 -0.251 0.000 1.049 250 K CA 2.029 58.202 56.287 -0.191 0.000 0.927 250 K CB -0.358 31.975 32.500 -0.277 0.000 0.713 250 K HN 0.619 nan 8.250 nan 0.000 0.443 251 Y N -0.959 119.381 120.300 0.066 0.000 2.337 251 Y HA -0.053 4.497 4.550 -0.000 0.000 0.293 251 Y C 1.919 177.772 175.900 -0.078 0.000 1.123 251 Y CA 0.887 58.993 58.100 0.010 0.000 1.201 251 Y CB -0.061 38.422 38.460 0.038 0.000 1.011 251 Y HN 0.015 nan 8.280 nan 0.000 0.545 252 F N -0.984 118.999 119.950 0.054 0.000 2.456 252 F HA -0.111 4.415 4.527 -0.000 0.000 0.298 252 F C 2.182 177.919 175.800 -0.105 0.000 1.104 252 F CA 0.592 58.580 58.000 -0.020 0.000 1.435 252 F CB -0.335 38.669 39.000 0.007 0.000 1.078 252 F HN -0.101 nan 8.300 nan 0.000 0.546 253 V N -2.080 117.810 119.914 -0.040 0.000 2.720 253 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 253 V C 1.779 177.772 176.094 -0.168 0.000 1.082 253 V CA 1.807 63.968 62.300 -0.232 0.000 1.101 253 V CB -0.810 30.631 31.823 -0.636 0.000 0.693 253 V HN 0.335 nan 8.190 nan 0.000 0.479 254 N N 1.569 120.188 118.700 -0.134 0.000 2.409 254 N HA 0.099 4.839 4.740 -0.000 0.000 0.179 254 N C 1.488 176.874 175.510 -0.207 0.000 1.032 254 N CA 1.807 54.783 53.050 -0.122 0.000 0.898 254 N CB 0.092 38.503 38.487 -0.126 0.000 0.971 254 N HN 0.840 nan 8.380 nan 0.000 0.441 255 I N -2.906 117.526 120.570 -0.230 0.000 3.816 255 I HA 0.371 4.541 4.170 -0.000 0.000 0.334 255 I C -0.283 175.784 176.117 -0.083 0.000 1.551 255 I CA -0.176 60.948 61.300 -0.293 0.000 1.153 255 I CB 0.007 37.783 38.000 -0.374 0.000 1.197 255 I HN -0.240 nan 8.210 nan 0.000 0.439 256 M N 1.285 120.864 119.600 -0.034 0.000 2.535 256 M HA 0.520 5.000 4.480 -0.000 0.000 0.314 256 M C -0.422 175.894 176.300 0.026 0.000 1.153 256 M CA -0.593 54.720 55.300 0.021 0.000 0.924 256 M CB 2.615 35.233 32.600 0.031 0.000 1.710 256 M HN 0.036 nan 8.290 nan 0.000 0.451 257 K N 1.374 121.796 120.400 0.036 0.000 2.107 257 K HA 0.448 4.768 4.320 -0.000 0.000 0.251 257 K C -2.506 174.119 176.600 0.043 0.000 1.012 257 K CA -1.530 54.781 56.287 0.039 0.000 0.920 257 K CB -0.076 32.446 32.500 0.035 0.000 1.033 257 K HN 0.246 nan 8.250 nan 0.000 0.478 258 P HA 0.010 nan 4.420 nan 0.000 0.272 258 P C -0.956 176.361 177.300 0.028 0.000 1.223 258 P CA 0.124 63.253 63.100 0.047 0.000 0.784 258 P CB 0.506 32.227 31.700 0.036 0.000 0.923 259 Q N -2.098 117.716 119.800 0.024 0.000 2.489 259 Q HA -0.145 4.195 4.340 -0.000 0.000 0.259 259 Q C -0.201 175.797 176.000 -0.003 0.000 0.934 259 Q CA 0.409 56.215 55.803 0.006 0.000 1.131 259 Q CB -2.413 26.326 28.738 0.000 0.000 1.472 259 Q HN 0.391 nan 8.270 nan 0.000 0.560 260 S N -0.252 115.451 115.700 0.005 0.000 2.624 260 S HA 0.515 4.985 4.470 -0.000 0.000 0.263 260 S C 0.066 174.653 174.600 -0.022 0.000 1.287 260 S CA -0.399 57.798 58.200 -0.004 0.000 0.990 260 S CB 1.806 65.011 63.200 0.008 0.000 0.950 260 S HN 0.294 nan 8.310 nan 0.000 0.561 261 S N 0.322 116.003 115.700 -0.032 0.000 2.536 261 S HA 0.721 5.191 4.470 -0.000 0.000 0.287 261 S C -1.204 173.365 174.600 -0.053 0.000 1.101 261 S CA -0.707 57.462 58.200 -0.051 0.000 0.950 261 S CB 0.310 63.466 63.200 -0.073 0.000 1.056 261 S HN 0.533 nan 8.310 nan 0.000 0.481 262 I N 4.986 125.520 120.570 -0.060 0.000 2.582 262 I HA 0.587 4.757 4.170 -0.000 0.000 0.292 262 I C -0.689 175.385 176.117 -0.072 0.000 1.066 262 I CA -0.909 60.350 61.300 -0.067 0.000 1.053 262 I CB 1.893 39.853 38.000 -0.067 0.000 1.241 262 I HN 0.664 nan 8.210 nan 0.000 0.421 263 I N 2.401 122.927 120.570 -0.073 0.000 2.865 263 I HA 0.822 4.992 4.170 -0.000 0.000 0.302 263 I C -0.426 175.655 176.117 -0.060 0.000 1.140 263 I CA -0.344 60.913 61.300 -0.073 0.000 1.021 263 I CB 2.394 40.351 38.000 -0.072 0.000 1.233 263 I HN 0.594 nan 8.210 nan 0.000 0.427 264 S N 4.592 120.250 115.700 -0.070 0.000 2.704 264 S HA 0.832 5.302 4.470 -0.000 0.000 0.296 264 S C -1.015 173.554 174.600 -0.052 0.000 1.138 264 S CA -0.916 57.259 58.200 -0.042 0.000 0.875 264 S CB 1.853 64.952 63.200 -0.167 0.000 1.151 264 S HN 0.707 nan 8.310 nan 0.000 0.500 265 L N 1.012 122.230 121.223 -0.009 0.000 2.346 265 L HA 0.751 5.091 4.340 -0.000 0.000 0.276 265 L C 0.168 177.033 176.870 -0.008 0.000 1.006 265 L CA -0.304 54.509 54.840 -0.045 0.000 0.817 265 L CB 2.166 44.196 42.059 -0.048 0.000 1.272 265 L HN 0.922 nan 8.230 nan 0.000 0.421 266 T N 0.563 115.098 114.554 -0.031 0.000 2.773 266 T HA 0.619 4.968 4.350 -0.000 0.000 0.278 266 T C -1.901 172.859 174.700 0.100 0.000 1.011 266 T CA -0.324 61.791 62.100 0.024 0.000 1.014 266 T CB 1.488 70.331 68.868 -0.042 0.000 1.293 266 T HN 0.390 nan 8.240 nan 0.000 0.554 267 Y N 0.017 120.293 120.300 -0.039 0.000 2.524 267 Y HA 0.432 4.982 4.550 -0.000 0.000 0.347 267 Y C 0.775 176.674 175.900 -0.003 0.000 1.005 267 Y CA -0.983 57.089 58.100 -0.046 0.000 1.025 267 Y CB 1.521 39.902 38.460 -0.133 0.000 1.275 267 Y HN 0.921 nan 8.280 nan 0.000 0.460 268 H N 3.550 122.196 119.070 -0.708 0.000 2.518 268 H HA -0.075 4.481 4.556 -0.000 0.000 0.294 268 H C 1.720 176.790 175.328 -0.430 0.000 1.083 268 H CA 1.875 57.663 56.048 -0.434 0.000 1.264 268 H CB 0.101 29.672 29.762 -0.319 0.000 1.370 268 H HN 0.729 nan 8.280 nan 0.000 0.560 269 A N -0.311 122.120 122.820 -0.649 0.000 2.186 269 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 269 A C 2.519 180.013 177.584 -0.150 0.000 1.159 269 A CA 1.518 53.368 52.037 -0.311 0.000 0.680 269 A CB -0.762 18.117 19.000 -0.201 0.000 0.787 269 A HN 0.644 nan 8.150 nan 0.000 0.467 270 S N -1.401 114.215 115.700 -0.139 0.000 2.428 270 S HA -0.102 4.368 4.470 -0.000 0.000 0.230 270 S C 1.697 176.230 174.600 -0.112 0.000 1.014 270 S CA 1.082 59.246 58.200 -0.061 0.000 0.957 270 S CB -0.113 63.072 63.200 -0.024 0.000 0.784 270 S HN 0.558 nan 8.310 nan 0.000 0.499 271 Q N 0.383 120.039 119.800 -0.241 0.000 2.396 271 Q HA 0.392 4.732 4.340 -0.000 0.000 0.220 271 Q C -0.101 175.719 176.000 -0.300 0.000 0.900 271 Q CA 0.705 56.360 55.803 -0.247 0.000 0.925 271 Q CB 0.311 28.909 28.738 -0.234 0.000 1.065 271 Q HN 0.413 nan 8.270 nan 0.000 0.535 272 K N 0.510 120.648 120.400 -0.435 0.000 2.426 272 K HA 0.407 4.727 4.320 -0.000 0.000 0.251 272 K C -0.687 175.819 176.600 -0.155 0.000 0.941 272 K CA -0.899 55.224 56.287 -0.273 0.000 0.808 272 K CB 2.776 35.100 32.500 -0.293 0.000 1.265 272 K HN -0.233 nan 8.250 nan 0.000 0.432 273 V N 2.073 121.953 119.914 -0.056 0.000 2.485 273 V HA 0.082 4.202 4.120 -0.000 0.000 0.287 273 V C 0.032 176.146 176.094 0.035 0.000 1.022 273 V CA -0.311 61.989 62.300 0.000 0.000 1.067 273 V CB 0.684 32.520 31.823 0.022 0.000 0.967 273 V HN 0.350 nan 8.190 nan 0.000 0.479 274 V N 8.291 128.248 119.914 0.071 0.000 2.340 274 V HA 0.241 4.360 4.120 -0.000 0.000 0.277 274 V C -1.249 174.939 176.094 0.156 0.000 1.017 274 V CA -1.237 61.154 62.300 0.151 0.000 0.820 274 V CB 1.304 33.260 31.823 0.222 0.000 1.028 274 V HN 0.700 nan 8.190 nan 0.000 0.436 275 P HA -0.250 nan 4.420 nan 0.000 0.218 275 P C 1.512 178.831 177.300 0.032 0.000 1.132 275 P CA 2.095 65.251 63.100 0.092 0.000 0.968 275 P CB 0.128 31.877 31.700 0.081 0.000 0.783 276 G N -3.243 105.544 108.800 -0.021 0.000 3.061 276 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.208 276 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.208 276 G C -0.119 174.538 174.900 -0.404 0.000 1.175 276 G CA -0.123 44.851 45.100 -0.209 0.000 0.812 276 G HN 0.260 nan 8.290 nan 0.000 0.523 277 Y N 2.218 122.260 120.300 -0.430 0.000 2.736 277 Y HA 0.495 5.045 4.550 -0.000 0.000 0.339 277 Y C 1.089 176.903 175.900 -0.144 0.000 1.301 277 Y CA -0.885 57.017 58.100 -0.330 0.000 1.676 277 Y CB -0.127 38.253 38.460 -0.134 0.000 1.725 277 Y HN 0.068 nan 8.280 nan 0.000 0.466 278 G N 0.309 108.984 108.800 -0.208 0.000 2.695 278 G HA2 0.428 4.388 3.960 -0.000 0.000 0.213 278 G HA3 0.428 4.388 3.960 -0.000 0.000 0.213 278 G C 0.856 175.654 174.900 -0.169 0.000 1.406 278 G CA -0.418 44.604 45.100 -0.130 0.000 1.049 278 G HN 0.896 nan 8.290 nan 0.000 0.573 279 G N -2.027 106.722 108.800 -0.084 0.000 2.175 279 G HA2 0.207 4.167 3.960 -0.000 0.000 0.265 279 G HA3 0.207 4.167 3.960 -0.000 0.000 0.265 279 G C 1.509 176.371 174.900 -0.063 0.000 0.979 279 G CA 1.357 46.416 45.100 -0.068 0.000 0.663 279 G HN 2.509 nan 8.290 nan 0.000 0.533 280 G N -1.757 107.014 108.800 -0.049 0.000 2.157 280 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.239 280 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.239 280 G C 1.167 175.961 174.900 -0.176 0.000 0.982 280 G CA 1.003 46.038 45.100 -0.108 0.000 0.650 280 G HN 0.607 nan 8.290 nan 0.000 0.527 281 M N 1.690 121.172 119.600 -0.198 0.000 2.159 281 M HA -0.058 4.422 4.480 -0.000 0.000 0.263 281 M C 2.846 179.180 176.300 0.056 0.000 1.063 281 M CA 2.359 57.526 55.300 -0.223 0.000 1.110 281 M CB -1.257 30.929 32.600 -0.690 0.000 1.374 281 M HN 0.755 nan 8.290 nan 0.000 0.411 282 S N -0.630 115.172 115.700 0.170 0.000 2.383 282 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 282 S C 2.026 176.694 174.600 0.113 0.000 1.026 282 S CA 1.540 59.909 58.200 0.281 0.000 0.981 282 S CB -0.611 62.738 63.200 0.249 0.000 0.818 282 S HN 0.426 nan 8.310 nan 0.000 0.472 283 S N 2.769 118.490 115.700 0.036 0.000 2.368 283 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 283 S C 2.357 176.920 174.600 -0.062 0.000 1.030 283 S CA 1.002 59.193 58.200 -0.014 0.000 0.999 283 S CB -0.916 62.228 63.200 -0.093 0.000 0.844 283 S HN 0.789 nan 8.310 nan 0.000 0.459 284 A N 2.161 124.920 122.820 -0.102 0.000 1.902 284 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 284 A C 2.082 179.659 177.584 -0.012 0.000 1.181 284 A CA 1.307 53.295 52.037 -0.081 0.000 0.623 284 A CB -0.350 18.594 19.000 -0.093 0.000 0.818 284 A HN 0.213 nan 8.150 nan 0.000 0.443 285 K N -0.020 120.409 120.400 0.048 0.000 2.097 285 K HA 0.019 4.339 4.320 -0.000 0.000 0.205 285 K C 2.211 178.823 176.600 0.021 0.000 1.050 285 K CA 1.297 57.621 56.287 0.062 0.000 0.938 285 K CB -0.877 31.709 32.500 0.144 0.000 0.718 285 K HN 0.458 nan 8.250 nan 0.000 0.442 286 A N 1.365 124.197 122.820 0.021 0.000 1.898 286 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 286 A C 2.410 179.994 177.584 0.001 0.000 1.181 286 A CA 2.013 54.054 52.037 0.008 0.000 0.620 286 A CB -0.599 18.410 19.000 0.015 0.000 0.819 286 A HN 0.277 nan 8.150 nan 0.000 0.442 287 A N -0.507 122.312 122.820 -0.001 0.000 1.902 287 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 287 A C 2.150 179.725 177.584 -0.016 0.000 1.181 287 A CA 1.656 53.692 52.037 -0.001 0.000 0.623 287 A CB -0.641 18.359 19.000 -0.001 0.000 0.818 287 A HN 0.656 nan 8.150 nan 0.000 0.443 288 L N -0.001 121.202 121.223 -0.032 0.000 2.012 288 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 288 L C 2.240 179.074 176.870 -0.061 0.000 1.073 288 L CA 2.493 57.294 54.840 -0.066 0.000 0.748 288 L CB -0.484 41.526 42.059 -0.080 0.000 0.891 288 L HN 0.518 nan 8.230 nan 0.000 0.431 289 E N -1.416 118.759 120.200 -0.042 0.000 2.106 289 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 289 E C 2.258 178.842 176.600 -0.027 0.000 0.984 289 E CA 1.212 57.588 56.400 -0.040 0.000 0.806 289 E CB -0.108 29.573 29.700 -0.032 0.000 0.750 289 E HN 0.518 nan 8.360 nan 0.000 0.458 290 S N 0.493 116.184 115.700 -0.016 0.000 2.371 290 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 290 S C 1.402 176.001 174.600 -0.002 0.000 1.029 290 S CA 1.096 59.292 58.200 -0.006 0.000 0.978 290 S CB -0.088 63.114 63.200 0.003 0.000 0.833 290 S HN 0.154 nan 8.310 nan 0.000 0.466 291 D N 0.843 121.240 120.400 -0.006 0.000 2.218 291 D HA -0.033 4.607 4.640 -0.000 0.000 0.204 291 D C 1.915 178.210 176.300 -0.007 0.000 0.976 291 D CA 1.105 55.106 54.000 0.002 0.000 0.853 291 D CB -0.731 40.060 40.800 -0.014 0.000 0.939 291 D HN 0.387 nan 8.370 nan 0.000 0.481 292 T N 0.636 115.172 114.554 -0.030 0.000 2.746 292 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 292 T C 2.006 176.699 174.700 -0.010 0.000 1.039 292 T CA 0.859 62.938 62.100 -0.035 0.000 1.142 292 T CB 0.077 68.912 68.868 -0.054 0.000 0.866 292 T HN 0.164 nan 8.240 nan 0.000 0.444 293 R N 0.293 120.789 120.500 -0.006 0.000 2.066 293 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 293 R C 2.540 178.850 176.300 0.016 0.000 1.131 293 R CA 1.032 57.132 56.100 0.000 0.000 0.955 293 R CB -0.700 29.594 30.300 -0.010 0.000 0.851 293 R HN 0.233 nan 8.270 nan 0.000 0.432 294 V N 1.605 121.533 119.914 0.023 0.000 2.343 294 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 294 V C 2.272 178.430 176.094 0.107 0.000 1.051 294 V CA 1.613 63.940 62.300 0.045 0.000 1.036 294 V CB -0.406 31.467 31.823 0.084 0.000 0.654 294 V HN 0.291 nan 8.190 nan 0.000 0.451 295 L N 0.027 121.319 121.223 0.116 0.000 2.201 295 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 295 L C 2.667 179.592 176.870 0.092 0.000 1.105 295 L CA 1.193 56.115 54.840 0.136 0.000 0.775 295 L CB -0.712 41.381 42.059 0.057 0.000 0.913 295 L HN 0.353 nan 8.230 nan 0.000 0.440 296 A N -0.591 122.264 122.820 0.058 0.000 1.972 296 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 296 A C 2.152 179.773 177.584 0.062 0.000 1.169 296 A CA 1.399 53.462 52.037 0.044 0.000 0.635 296 A CB -0.672 18.346 19.000 0.029 0.000 0.810 296 A HN 0.474 nan 8.150 nan 0.000 0.446 297 Y N 0.245 120.495 120.300 -0.084 0.000 2.109 297 Y HA -0.204 4.346 4.550 -0.000 0.000 0.285 297 Y C 2.544 178.383 175.900 -0.102 0.000 1.131 297 Y CA 2.069 60.085 58.100 -0.140 0.000 1.121 297 Y CB -0.573 37.725 38.460 -0.270 0.000 0.987 297 Y HN 0.461 nan 8.280 nan 0.000 0.495 298 H N 0.196 119.220 119.070 -0.076 0.000 2.293 298 H HA -0.129 4.426 4.556 -0.000 0.000 0.300 298 H C 2.427 177.744 175.328 -0.017 0.000 1.082 298 H CA 2.073 58.046 56.048 -0.125 0.000 1.308 298 H CB -0.664 29.118 29.762 0.034 0.000 1.375 298 H HN 0.375 nan 8.280 nan 0.000 0.495 299 L N -0.177 121.143 121.223 0.162 0.000 2.201 299 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 299 L C 2.710 179.657 176.870 0.128 0.000 1.105 299 L CA 0.851 55.789 54.840 0.164 0.000 0.775 299 L CB -0.567 41.519 42.059 0.045 0.000 0.913 299 L HN 0.279 nan 8.230 nan 0.000 0.440 300 G N -0.303 108.515 108.800 0.031 0.000 2.404 300 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 300 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 300 G C 1.739 176.616 174.900 -0.038 0.000 1.189 300 G CA 0.042 45.142 45.100 -0.001 0.000 0.789 300 G HN 0.102 nan 8.290 nan 0.000 0.533 301 R N 0.502 120.922 120.500 -0.133 0.000 2.075 301 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 301 R C 2.551 178.765 176.300 -0.144 0.000 1.126 301 R CA 1.622 57.620 56.100 -0.169 0.000 0.963 301 R CB -1.442 28.658 30.300 -0.333 0.000 0.858 301 R HN 0.498 nan 8.270 nan 0.000 0.435 302 N N -0.095 118.522 118.700 -0.139 0.000 2.333 302 N HA -0.102 4.638 4.740 -0.000 0.000 0.178 302 N C 1.223 176.437 175.510 -0.494 0.000 1.018 302 N CA 1.067 53.928 53.050 -0.315 0.000 0.882 302 N CB -0.121 38.145 38.487 -0.369 0.000 0.984 302 N HN 0.285 nan 8.380 nan 0.000 0.434 303 Y N -1.462 118.810 120.300 -0.047 0.000 2.563 303 Y HA 0.373 4.923 4.550 -0.000 0.000 0.250 303 Y C 0.784 176.666 175.900 -0.030 0.000 1.126 303 Y CA -0.831 57.249 58.100 -0.033 0.000 1.231 303 Y CB -0.327 38.118 38.460 -0.026 0.000 1.288 303 Y HN 0.357 nan 8.280 nan 0.000 0.537 304 N N 1.164 119.919 118.700 0.092 0.000 2.754 304 N HA -0.207 4.533 4.740 -0.000 0.000 0.248 304 N C -0.834 174.708 175.510 0.053 0.000 1.093 304 N CA 0.042 53.120 53.050 0.046 0.000 0.699 304 N CB -0.780 37.722 38.487 0.024 0.000 1.016 304 N HN 0.288 nan 8.380 nan 0.000 0.552 305 I N 1.019 121.633 120.570 0.073 0.000 2.493 305 I HA 0.375 4.545 4.170 -0.000 0.000 0.298 305 I C 0.570 176.692 176.117 0.009 0.000 0.998 305 I CA -0.668 60.652 61.300 0.033 0.000 1.137 305 I CB 1.640 39.652 38.000 0.020 0.000 1.310 305 I HN 0.056 nan 8.210 nan 0.000 0.445 306 R N 5.357 125.848 120.500 -0.014 0.000 2.598 306 R HA 0.763 5.103 4.340 -0.000 0.000 0.279 306 R C -0.967 175.311 176.300 -0.037 0.000 0.984 306 R CA -0.860 55.224 56.100 -0.026 0.000 0.999 306 R CB 2.416 32.689 30.300 -0.044 0.000 1.114 306 R HN 0.527 nan 8.270 nan 0.000 0.493 307 I N 1.158 121.706 120.570 -0.037 0.000 2.644 307 I HA 0.352 4.522 4.170 -0.000 0.000 0.291 307 I C -1.583 174.505 176.117 -0.048 0.000 1.180 307 I CA -0.500 60.772 61.300 -0.047 0.000 1.040 307 I CB 1.771 39.745 38.000 -0.043 0.000 1.255 307 I HN 0.639 nan 8.210 nan 0.000 0.422 308 N N 3.404 122.068 118.700 -0.061 0.000 2.647 308 N HA 0.471 5.211 4.740 -0.000 0.000 0.266 308 N C -1.561 173.904 175.510 -0.075 0.000 1.373 308 N CA -0.526 52.488 53.050 -0.060 0.000 0.807 308 N CB 2.498 40.950 38.487 -0.058 0.000 1.513 308 N HN 0.488 nan 8.380 nan 0.000 0.505 309 T N 0.311 114.816 114.554 -0.082 0.000 2.893 309 T HA 0.622 4.972 4.350 -0.000 0.000 0.293 309 T C -0.980 173.645 174.700 -0.124 0.000 1.027 309 T CA -0.512 61.527 62.100 -0.102 0.000 0.988 309 T CB 0.623 69.427 68.868 -0.107 0.000 1.043 309 T HN 0.282 nan 8.240 nan 0.000 0.461 310 I N 3.438 123.927 120.570 -0.136 0.000 2.336 310 I HA 0.336 4.506 4.170 -0.000 0.000 0.292 310 I C 0.427 176.413 176.117 -0.218 0.000 0.991 310 I CA -0.609 60.588 61.300 -0.170 0.000 1.227 310 I CB 1.852 39.758 38.000 -0.156 0.000 1.366 310 I HN 0.503 nan 8.210 nan 0.000 0.466 311 S N 6.019 121.524 115.700 -0.326 0.000 2.464 311 S HA 0.575 5.045 4.470 -0.000 0.000 0.313 311 S C 0.122 174.606 174.600 -0.193 0.000 1.078 311 S CA -0.611 57.371 58.200 -0.364 0.000 1.096 311 S CB -0.023 62.615 63.200 -0.937 0.000 1.032 311 S HN 0.654 nan 8.310 nan 0.000 0.498 312 A N 3.835 126.591 122.820 -0.106 0.000 2.287 312 A HA 0.778 5.098 4.320 -0.000 0.000 0.273 312 A C 0.898 178.581 177.584 0.165 0.000 1.091 312 A CA -0.206 51.788 52.037 -0.072 0.000 0.817 312 A CB 0.089 18.840 19.000 -0.415 0.000 1.069 312 A HN 0.833 nan 8.150 nan 0.000 0.492 313 G N -0.417 108.497 108.800 0.190 0.000 2.543 313 G HA2 0.562 4.522 3.960 -0.000 0.000 0.290 313 G HA3 0.562 4.522 3.960 -0.000 0.000 0.290 313 G C -2.455 172.608 174.900 0.272 0.000 1.310 313 G CA -1.269 43.983 45.100 0.254 0.000 1.025 313 G HN 0.640 nan 8.290 nan 0.000 0.502 314 P HA 0.275 nan 4.420 nan 0.000 0.271 314 P C -1.115 176.223 177.300 0.063 0.000 1.216 314 P CA -0.060 63.086 63.100 0.077 0.000 0.771 314 P CB 1.609 33.307 31.700 -0.003 0.000 0.864 315 L N 2.506 123.731 121.223 0.003 0.000 2.431 315 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 315 L C -0.089 176.713 176.870 -0.113 0.000 0.978 315 L CA -0.760 54.014 54.840 -0.109 0.000 0.822 315 L CB 2.240 44.063 42.059 -0.392 0.000 1.310 315 L HN 0.199 nan 8.230 nan 0.000 0.409 316 K N 3.202 123.543 120.400 -0.098 0.000 2.220 316 K HA 0.441 4.761 4.320 -0.000 0.000 0.283 316 K C -0.569 175.980 176.600 -0.085 0.000 1.098 316 K CA -0.002 56.244 56.287 -0.068 0.000 0.928 316 K CB 0.165 32.637 32.500 -0.047 0.000 1.214 316 K HN 0.782 nan 8.250 nan 0.000 0.442 317 S N 1.664 117.318 115.700 -0.077 0.000 2.806 317 S HA 0.495 4.965 4.470 -0.000 0.000 0.315 317 S C 1.340 175.922 174.600 -0.031 0.000 1.127 317 S CA -0.605 57.548 58.200 -0.078 0.000 0.918 317 S CB 1.478 64.610 63.200 -0.114 0.000 1.240 317 S HN 0.559 nan 8.310 nan 0.000 0.552 318 R N 0.238 120.724 120.500 -0.023 0.000 2.070 318 R HA 0.191 4.531 4.340 -0.000 0.000 0.233 318 R C 2.691 178.997 176.300 0.011 0.000 1.137 318 R CA 2.395 58.498 56.100 0.004 0.000 0.945 318 R CB -2.075 28.236 30.300 0.018 0.000 0.845 318 R HN 1.171 nan 8.270 nan 0.000 0.430 319 A N 0.799 123.618 122.820 -0.001 0.000 1.908 319 A HA 0.162 4.482 4.320 -0.000 0.000 0.218 319 A C 2.826 180.423 177.584 0.022 0.000 1.181 319 A CA 2.239 54.274 52.037 -0.003 0.000 0.627 319 A CB -0.909 18.081 19.000 -0.017 0.000 0.818 319 A HN 1.054 nan 8.150 nan 0.000 0.445 320 A N -0.376 122.466 122.820 0.036 0.000 1.902 320 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 320 A C 2.398 180.047 177.584 0.109 0.000 1.181 320 A CA 2.473 54.561 52.037 0.085 0.000 0.623 320 A CB -1.339 17.690 19.000 0.049 0.000 0.818 320 A HN 0.849 nan 8.150 nan 0.000 0.443 321 T N -2.840 111.753 114.554 0.065 0.000 3.085 321 T HA 0.294 4.644 4.350 -0.000 0.000 0.263 321 T C 1.721 176.458 174.700 0.062 0.000 1.127 321 T CA 1.142 63.283 62.100 0.069 0.000 1.103 321 T CB -0.282 68.612 68.868 0.042 0.000 0.921 321 T HN 0.527 nan 8.240 nan 0.000 0.510 322 A N 1.982 124.829 122.820 0.045 0.000 2.024 322 A HA 0.152 4.472 4.320 -0.000 0.000 0.220 322 A C 2.066 179.662 177.584 0.021 0.000 1.164 322 A CA 0.982 53.035 52.037 0.026 0.000 0.643 322 A CB -0.867 18.136 19.000 0.005 0.000 0.806 322 A HN 0.676 nan 8.150 nan 0.000 0.451 323 I N -0.281 120.312 120.570 0.039 0.000 3.528 323 I HA -0.039 4.131 4.170 -0.000 0.000 0.298 323 I C 0.102 176.261 176.117 0.070 0.000 1.281 323 I CA -0.008 61.307 61.300 0.024 0.000 1.269 323 I CB -1.008 37.006 38.000 0.023 0.000 1.013 323 I HN 0.392 nan 8.210 nan 0.000 0.512 368 F N 1.559 121.566 119.950 0.094 0.000 2.095 368 F HA 0.035 4.562 4.527 -0.000 0.000 0.298 368 F C 1.844 177.752 175.800 0.181 0.000 1.104 368 F CA 1.310 59.397 58.000 0.146 0.000 1.232 368 F CB -0.283 38.791 39.000 0.124 0.000 0.987 368 F HN 0.559 nan 8.300 nan 0.000 0.475 369 I N 1.071 121.563 120.570 -0.129 0.000 2.226 369 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 369 I C 1.890 177.903 176.117 -0.173 0.000 1.100 369 I CA 1.721 62.874 61.300 -0.246 0.000 1.374 369 I CB -1.130 36.863 38.000 -0.013 0.000 1.057 369 I HN 0.223 nan 8.210 nan 0.000 0.413 370 D N -0.758 119.614 120.400 -0.046 0.000 2.219 370 D HA -0.236 4.404 4.640 -0.000 0.000 0.205 370 D C 1.963 178.272 176.300 0.015 0.000 0.970 370 D CA 0.993 54.987 54.000 -0.010 0.000 0.851 370 D CB -0.207 40.611 40.800 0.030 0.000 0.943 370 D HN 0.406 nan 8.370 nan 0.000 0.488 371 Y N 1.820 122.054 120.300 -0.109 0.000 2.184 371 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 371 Y C 2.306 178.160 175.900 -0.076 0.000 1.129 371 Y CA 1.419 59.482 58.100 -0.062 0.000 1.144 371 Y CB -0.526 37.904 38.460 -0.050 0.000 0.995 371 Y HN -0.075 nan 8.280 nan 0.000 0.513 372 A N 0.818 123.404 122.820 -0.391 0.000 1.908 372 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 372 A C 2.356 179.820 177.584 -0.199 0.000 1.181 372 A CA 2.182 53.969 52.037 -0.418 0.000 0.627 372 A CB -1.228 17.450 19.000 -0.537 0.000 0.818 372 A HN 0.591 nan 8.150 nan 0.000 0.445 373 I N -0.517 119.961 120.570 -0.153 0.000 2.252 373 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 373 I C 3.100 179.178 176.117 -0.065 0.000 1.102 373 I CA 1.534 62.789 61.300 -0.075 0.000 1.385 373 I CB -0.691 37.273 38.000 -0.060 0.000 1.064 373 I HN 0.563 nan 8.210 nan 0.000 0.414 374 E N 0.542 120.695 120.200 -0.078 0.000 2.051 374 E HA -0.326 4.024 4.350 -0.000 0.000 0.192 374 E C 1.992 178.524 176.600 -0.114 0.000 0.991 374 E CA 1.607 57.960 56.400 -0.077 0.000 0.799 374 E CB -1.344 28.337 29.700 -0.032 0.000 0.748 374 E HN 0.624 nan 8.360 nan 0.000 0.449 375 Y N 0.999 121.137 120.300 -0.270 0.000 2.165 375 Y HA -0.164 4.386 4.550 -0.000 0.000 0.286 375 Y C 2.950 178.791 175.900 -0.098 0.000 1.155 375 Y CA 2.132 60.108 58.100 -0.207 0.000 1.164 375 Y CB -0.452 37.776 38.460 -0.386 0.000 0.978 375 Y HN 0.268 nan 8.280 nan 0.000 0.513 376 S N -0.081 115.690 115.700 0.117 0.000 2.356 376 S HA -0.211 4.259 4.470 -0.000 0.000 0.223 376 S C 1.779 176.363 174.600 -0.027 0.000 1.032 376 S CA 1.712 59.967 58.200 0.091 0.000 1.005 376 S CB -0.391 62.857 63.200 0.079 0.000 0.867 376 S HN 0.675 nan 8.310 nan 0.000 0.449 377 E N 0.283 120.439 120.200 -0.073 0.000 2.409 377 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 377 E C 1.920 178.413 176.600 -0.178 0.000 1.024 377 E CA 0.638 56.980 56.400 -0.097 0.000 0.861 377 E CB 0.006 29.657 29.700 -0.082 0.000 0.788 377 E HN 0.516 nan 8.360 nan 0.000 0.521 378 K N -0.256 119.953 120.400 -0.318 0.000 2.313 378 K HA 0.018 4.338 4.320 -0.000 0.000 0.197 378 K C 0.948 177.155 176.600 -0.655 0.000 1.061 378 K CA 0.354 56.312 56.287 -0.549 0.000 0.980 378 K CB 0.409 32.415 32.500 -0.824 0.000 0.888 378 K HN 0.099 nan 8.250 nan 0.000 0.502 379 Y N 0.117 120.260 120.300 -0.262 0.000 2.430 379 Y HA 0.387 4.937 4.550 -0.000 0.000 0.248 379 Y C 0.648 176.480 175.900 -0.114 0.000 1.108 379 Y CA -0.651 57.305 58.100 -0.240 0.000 1.264 379 Y CB 0.841 39.032 38.460 -0.448 0.000 1.172 379 Y HN -0.004 nan 8.280 nan 0.000 0.520 380 A N 2.266 125.112 122.820 0.043 0.000 2.466 380 A HA 0.097 4.417 4.320 -0.000 0.000 0.238 380 A C -1.276 176.318 177.584 0.016 0.000 1.074 380 A CA -0.988 51.072 52.037 0.039 0.000 0.774 380 A CB -0.158 18.859 19.000 0.028 0.000 1.015 380 A HN 0.102 nan 8.150 nan 0.000 0.498 381 P HA -0.042 nan 4.420 nan 0.000 0.220 381 P C 0.004 177.301 177.300 -0.004 0.000 1.148 381 P CA 1.119 64.221 63.100 0.003 0.000 0.803 381 P CB 0.029 31.728 31.700 -0.001 0.000 0.782 382 L N 0.739 121.960 121.223 -0.004 0.000 2.277 382 L HA 0.340 4.680 4.340 -0.000 0.000 0.284 382 L C 0.673 177.536 176.870 -0.012 0.000 1.028 382 L CA -0.590 54.246 54.840 -0.007 0.000 0.835 382 L CB 1.189 43.247 42.059 -0.002 0.000 1.215 382 L HN -0.246 nan 8.230 nan 0.000 0.425 383 R N 4.703 125.190 120.500 -0.023 0.000 2.419 383 R HA 0.195 4.535 4.340 -0.000 0.000 0.305 383 R C -0.492 175.791 176.300 -0.028 0.000 1.242 383 R CA -0.101 55.977 56.100 -0.037 0.000 1.105 383 R CB 0.401 30.669 30.300 -0.053 0.000 1.116 383 R HN 0.622 nan 8.270 nan 0.000 0.523 384 Q N 0.676 120.465 119.800 -0.019 0.000 2.482 384 Q HA 0.317 4.657 4.340 -0.000 0.000 0.286 384 Q C -1.339 174.658 176.000 -0.005 0.000 1.007 384 Q CA -1.215 54.581 55.803 -0.011 0.000 0.801 384 Q CB 1.696 30.432 28.738 -0.003 0.000 1.455 384 Q HN 0.078 nan 8.270 nan 0.000 0.398 385 K N 1.229 121.628 120.400 -0.002 0.000 2.368 385 K HA 0.195 4.515 4.320 -0.000 0.000 0.282 385 K C -0.838 175.775 176.600 0.022 0.000 1.035 385 K CA -0.466 55.824 56.287 0.004 0.000 0.973 385 K CB 0.550 33.050 32.500 0.001 0.000 0.957 385 K HN 0.594 nan 8.250 nan 0.000 0.474 386 L N 6.616 127.859 121.223 0.034 0.000 2.278 386 L HA 0.275 4.614 4.340 -0.000 0.000 0.287 386 L C -1.016 175.897 176.870 0.071 0.000 1.072 386 L CA 0.083 54.962 54.840 0.065 0.000 0.819 386 L CB 0.467 42.581 42.059 0.092 0.000 1.176 386 L HN 0.537 nan 8.230 nan 0.000 0.435 387 L N 3.907 125.179 121.223 0.081 0.000 2.344 387 L HA 0.410 4.750 4.340 -0.000 0.000 0.272 387 L C 1.525 178.480 176.870 0.141 0.000 1.035 387 L CA -0.286 54.602 54.840 0.080 0.000 0.807 387 L CB 1.713 43.810 42.059 0.064 0.000 1.237 387 L HN 0.813 nan 8.230 nan 0.000 0.442 388 S N -1.056 114.710 115.700 0.110 0.000 2.400 388 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 388 S C 1.612 176.345 174.600 0.222 0.000 1.025 388 S CA 1.533 59.849 58.200 0.192 0.000 0.993 388 S CB -0.751 62.487 63.200 0.063 0.000 0.808 388 S HN 0.882 nan 8.310 nan 0.000 0.478 389 T N -0.848 113.790 114.554 0.140 0.000 3.072 389 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 389 T C 1.183 175.936 174.700 0.088 0.000 1.127 389 T CA 0.932 63.094 62.100 0.103 0.000 1.107 389 T CB -0.398 68.517 68.868 0.078 0.000 0.910 389 T HN 0.284 nan 8.240 nan 0.000 0.513 390 D N 1.217 121.678 120.400 0.101 0.000 2.149 390 D HA 0.046 4.686 4.640 -0.000 0.000 0.201 390 D C 1.787 178.124 176.300 0.063 0.000 0.972 390 D CA 0.650 54.694 54.000 0.074 0.000 0.835 390 D CB -0.104 40.742 40.800 0.077 0.000 0.966 390 D HN 0.359 nan 8.370 nan 0.000 0.476 391 I N 1.048 121.669 120.570 0.085 0.000 2.406 391 I HA -0.047 4.123 4.170 -0.000 0.000 0.249 391 I C 2.507 178.634 176.117 0.017 0.000 1.122 391 I CA 0.748 62.048 61.300 0.000 0.000 1.431 391 I CB -0.702 37.210 38.000 -0.146 0.000 1.087 391 I HN -0.046 nan 8.210 nan 0.000 0.424 392 G N 0.004 108.842 108.800 0.064 0.000 2.446 392 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 392 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 392 G C 1.814 176.734 174.900 0.035 0.000 1.168 392 G CA 1.281 46.407 45.100 0.044 0.000 0.771 392 G HN 0.505 nan 8.290 nan 0.000 0.551 393 S N 0.115 115.839 115.700 0.041 0.000 2.402 393 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 393 S C 2.250 176.893 174.600 0.073 0.000 1.021 393 S CA 1.348 59.576 58.200 0.046 0.000 0.974 393 S CB -0.319 62.900 63.200 0.032 0.000 0.800 393 S HN 0.114 nan 8.310 nan 0.000 0.484 394 V N 2.317 122.269 119.914 0.063 0.000 2.453 394 V HA -0.006 4.114 4.120 -0.000 0.000 0.247 394 V C 3.114 179.276 176.094 0.115 0.000 1.048 394 V CA 1.402 63.764 62.300 0.103 0.000 1.049 394 V CB -1.423 30.434 31.823 0.056 0.000 0.672 394 V HN 0.652 nan 8.190 nan 0.000 0.457 395 A N -0.293 122.554 122.820 0.045 0.000 1.902 395 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 395 A C 2.499 180.093 177.584 0.017 0.000 1.181 395 A CA 2.198 54.240 52.037 0.009 0.000 0.623 395 A CB -0.667 18.322 19.000 -0.019 0.000 0.818 395 A HN 0.488 nan 8.150 nan 0.000 0.443 396 S N -1.081 114.646 115.700 0.044 0.000 2.368 396 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 396 S C 1.665 176.308 174.600 0.073 0.000 1.030 396 S CA 1.496 59.722 58.200 0.043 0.000 0.999 396 S CB -0.498 62.733 63.200 0.052 0.000 0.844 396 S HN 0.663 nan 8.310 nan 0.000 0.459 397 F N 2.369 122.308 119.950 -0.018 0.000 2.102 397 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 397 F C 1.753 177.544 175.800 -0.016 0.000 1.105 397 F CA 1.217 59.209 58.000 -0.014 0.000 1.239 397 F CB -0.514 38.479 39.000 -0.012 0.000 0.991 397 F HN 0.090 nan 8.300 nan 0.000 0.474 398 L N -0.211 120.882 121.223 -0.218 0.000 2.201 398 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 398 L C 2.275 179.005 176.870 -0.233 0.000 1.105 398 L CA 0.912 55.568 54.840 -0.307 0.000 0.775 398 L CB -0.554 41.436 42.059 -0.114 0.000 0.913 398 L HN 0.245 nan 8.230 nan 0.000 0.440 399 L N -0.988 120.149 121.223 -0.145 0.000 2.418 399 L HA 0.020 4.360 4.340 -0.000 0.000 0.218 399 L C 1.488 178.295 176.870 -0.106 0.000 1.125 399 L CA -0.149 54.628 54.840 -0.105 0.000 0.835 399 L CB -0.110 41.911 42.059 -0.064 0.000 0.953 399 L HN 0.268 nan 8.230 nan 0.000 0.454 400 S N -0.667 114.953 115.700 -0.134 0.000 2.652 400 S HA 0.361 4.831 4.470 -0.000 0.000 0.270 400 S C 1.300 175.817 174.600 -0.138 0.000 1.243 400 S CA -0.152 57.988 58.200 -0.099 0.000 0.999 400 S CB 1.556 64.730 63.200 -0.044 0.000 0.973 400 S HN 0.189 nan 8.310 nan 0.000 0.544 401 R N 0.339 120.792 120.500 -0.078 0.000 2.357 401 R HA 0.094 4.434 4.340 -0.000 0.000 0.202 401 R C 1.522 177.777 176.300 -0.075 0.000 1.047 401 R CA 1.690 57.749 56.100 -0.069 0.000 1.034 401 R CB -1.639 28.643 30.300 -0.030 0.000 0.875 401 R HN 0.924 nan 8.270 nan 0.000 0.473 402 E N 0.411 120.558 120.200 -0.088 0.000 2.427 402 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 402 E C 1.214 177.730 176.600 -0.140 0.000 1.028 402 E CA 1.211 57.602 56.400 -0.014 0.000 0.864 402 E CB 0.321 30.131 29.700 0.183 0.000 0.813 402 E HN 0.731 nan 8.360 nan 0.000 0.514 403 S N -0.138 115.305 115.700 -0.428 0.000 2.574 403 S HA 0.197 4.667 4.470 -0.000 0.000 0.242 403 S C 1.307 175.782 174.600 -0.209 0.000 0.982 403 S CA -0.556 57.355 58.200 -0.482 0.000 0.977 403 S CB 0.387 63.060 63.200 -0.878 0.000 0.814 403 S HN 0.087 nan 8.310 nan 0.000 0.464 404 R N 1.491 121.914 120.500 -0.128 0.000 2.178 404 R HA -0.205 4.135 4.340 -0.000 0.000 0.257 404 R C 1.718 177.991 176.300 -0.046 0.000 1.163 404 R CA 1.921 57.979 56.100 -0.070 0.000 0.981 404 R CB -0.571 29.706 30.300 -0.038 0.000 0.878 404 R HN 0.581 nan 8.270 nan 0.000 0.454 405 A N -0.201 122.602 122.820 -0.030 0.000 2.379 405 A HA 0.267 4.587 4.320 -0.000 0.000 0.236 405 A C 0.360 177.939 177.584 -0.009 0.000 1.272 405 A CA -0.233 51.798 52.037 -0.010 0.000 0.886 405 A CB 0.249 19.254 19.000 0.007 0.000 0.962 405 A HN 0.181 nan 8.150 nan 0.000 0.504 406 I N -0.033 120.519 120.570 -0.030 0.000 2.362 406 I HA 0.456 4.626 4.170 -0.000 0.000 0.289 406 I C -0.080 176.017 176.117 -0.034 0.000 0.994 406 I CA -0.225 61.062 61.300 -0.022 0.000 1.158 406 I CB 2.020 40.006 38.000 -0.023 0.000 1.315 406 I HN 0.045 nan 8.210 nan 0.000 0.451 407 T N 3.170 117.713 114.554 -0.017 0.000 2.885 407 T HA 0.517 4.867 4.350 -0.000 0.000 0.322 407 T C 0.369 175.065 174.700 -0.007 0.000 1.387 407 T CA 0.329 62.419 62.100 -0.018 0.000 1.041 407 T CB 1.504 70.365 68.868 -0.012 0.000 1.287 407 T HN 0.983 nan 8.240 nan 0.000 0.491 408 G N 2.444 111.237 108.800 -0.011 0.000 2.155 408 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.257 408 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.257 408 G C 0.005 174.898 174.900 -0.012 0.000 0.983 408 G CA 0.477 45.572 45.100 -0.008 0.000 0.676 408 G HN 0.734 nan 8.290 nan 0.000 0.528 409 Q N -0.055 119.736 119.800 -0.015 0.000 2.205 409 Q HA 0.619 4.959 4.340 -0.000 0.000 0.249 409 Q C -0.153 175.828 176.000 -0.031 0.000 0.948 409 Q CA -0.108 55.689 55.803 -0.010 0.000 0.895 409 Q CB 1.328 30.069 28.738 0.004 0.000 1.249 409 Q HN 0.167 nan 8.270 nan 0.000 0.458 410 T N 2.169 116.705 114.554 -0.029 0.000 2.821 410 T HA 0.433 4.783 4.350 -0.000 0.000 0.307 410 T C -0.011 174.640 174.700 -0.081 0.000 1.034 410 T CA -0.451 61.594 62.100 -0.091 0.000 0.953 410 T CB 0.206 69.017 68.868 -0.094 0.000 0.968 410 T HN 0.233 nan 8.240 nan 0.000 0.462 411 I N 3.850 124.359 120.570 -0.103 0.000 2.315 411 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 411 I C -0.216 175.834 176.117 -0.110 0.000 1.006 411 I CA -0.982 60.298 61.300 -0.033 0.000 1.265 411 I CB 0.508 38.511 38.000 0.006 0.000 1.387 411 I HN 0.589 nan 8.210 nan 0.000 0.475 412 Y N 5.095 125.383 120.300 -0.021 0.000 2.359 412 Y HA 0.286 4.835 4.550 -0.000 0.000 0.334 412 Y C 0.517 176.399 175.900 -0.031 0.000 1.058 412 Y CA -0.148 57.930 58.100 -0.037 0.000 1.244 412 Y CB 1.214 39.637 38.460 -0.061 0.000 1.187 412 Y HN 0.234 nan 8.280 nan 0.000 0.510 413 V N 4.291 124.251 119.914 0.076 0.000 2.383 413 V HA 0.195 4.315 4.120 -0.000 0.000 0.264 413 V C -0.712 175.423 176.094 0.068 0.000 1.001 413 V CA -0.624 61.704 62.300 0.047 0.000 0.828 413 V CB 0.627 32.445 31.823 -0.008 0.000 1.069 413 V HN 0.882 nan 8.190 nan 0.000 0.451 414 D N 1.434 121.891 120.400 0.095 0.000 2.822 414 D HA 0.088 4.728 4.640 -0.000 0.000 0.327 414 D C 0.446 176.786 176.300 0.066 0.000 1.577 414 D CA -0.545 53.515 54.000 0.100 0.000 0.785 414 D CB -0.182 40.700 40.800 0.136 0.000 1.199 414 D HN 0.228 nan 8.370 nan 0.000 0.443 415 N N 0.791 119.520 118.700 0.049 0.000 2.708 415 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 415 N C 1.279 176.797 175.510 0.014 0.000 1.123 415 N CA 1.674 54.741 53.050 0.029 0.000 0.739 415 N CB -1.442 37.063 38.487 0.030 0.000 1.113 415 N HN 0.797 nan 8.380 nan 0.000 0.561 416 G N -0.965 107.838 108.800 0.005 0.000 2.179 416 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 416 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 416 G C 0.911 175.780 174.900 -0.052 0.000 0.977 416 G CA 0.638 45.720 45.100 -0.030 0.000 0.641 416 G HN 0.452 nan 8.290 nan 0.000 0.533 417 L N 2.174 123.384 121.223 -0.022 0.000 2.089 417 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 417 L C 2.543 179.353 176.870 -0.100 0.000 1.079 417 L CA 3.250 58.086 54.840 -0.007 0.000 0.758 417 L CB -0.760 41.334 42.059 0.058 0.000 0.891 417 L HN 0.725 nan 8.230 nan 0.000 0.433 418 N N 0.116 118.652 118.700 -0.273 0.000 2.348 418 N HA -0.232 4.508 4.740 -0.000 0.000 0.185 418 N C 1.735 177.036 175.510 -0.348 0.000 1.019 418 N CA 1.812 54.533 53.050 -0.547 0.000 0.880 418 N CB -0.912 36.908 38.487 -1.111 0.000 0.965 418 N HN 0.703 nan 8.380 nan 0.000 0.437 419 I N -3.859 116.579 120.570 -0.221 0.000 3.251 419 I HA 0.161 4.331 4.170 -0.000 0.000 0.277 419 I C 0.165 176.258 176.117 -0.041 0.000 1.268 419 I CA -0.103 61.117 61.300 -0.134 0.000 1.449 419 I CB -0.144 37.793 38.000 -0.105 0.000 1.083 419 I HN -0.019 nan 8.210 nan 0.000 0.464 420 M N 0.619 120.216 119.600 -0.005 0.000 2.250 420 M HA 0.193 4.673 4.480 -0.000 0.000 0.344 420 M C 0.342 176.741 176.300 0.165 0.000 1.150 420 M CA 0.131 55.472 55.300 0.068 0.000 1.147 420 M CB 1.280 33.920 32.600 0.067 0.000 1.498 420 M HN 0.240 nan 8.290 nan 0.000 0.461 421 F N 1.611 121.548 119.950 -0.021 0.000 2.539 421 F HA 0.355 4.882 4.527 0.000 0.000 0.277 421 F C -0.122 175.666 175.800 -0.020 0.000 0.925 421 F CA -0.158 57.833 58.000 -0.014 0.000 1.193 421 F CB 0.758 39.748 39.000 -0.017 0.000 1.128 421 F HN 0.295 nan 8.300 nan 0.000 0.740 422 L N 3.023 124.154 121.223 -0.153 0.000 2.296 422 L HA 0.358 4.698 4.340 -0.000 0.000 0.286 422 L C -1.810 174.935 176.870 -0.208 0.000 1.023 422 L CA -2.137 52.517 54.840 -0.310 0.000 0.812 422 L CB 1.166 43.010 42.059 -0.358 0.000 1.223 422 L HN 0.145 nan 8.230 nan 0.000 0.421 423 P HA 0.183 nan 4.420 nan 0.000 0.317 423 P C -1.071 176.052 177.300 -0.296 0.000 1.316 423 P CA -0.219 62.550 63.100 -0.553 0.000 0.744 423 P CB 0.790 31.800 31.700 -1.149 0.000 1.521 424 D N 0.000 120.279 120.400 -0.201 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.017 54.000 0.029 0.000 0.868 424 D CB 0.000 40.875 40.800 0.125 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683