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 2f8q_1_B DATA FIRST_RESID 2 DATA SEQUENCE QPFAWQVASL ADRYEESFDI GAAVEPHQLN GRQGKVLKHH YNSIVAENAM DATA SEQUENCE KPISLQPEEG VFTWDGADAI VEFARKNNMN LRFHTLVWHN QVPDWFFLDE DATA SEQUENCE EGNPMVEETN EAKRQANKEL LLERLETHIK TVVERYKDDV TAWDVVNEVV DATA SEQUENCE DDGTPNERGL RESVWYQITG DEYIRVAFET ARKYAGEDAK LFINDYNTEV DATA SEQUENCE TPKRDHLYNL VQDLLADGVP IDGVGHQAHI QIDWPTIDEI RTSMEMFAGL DATA SEQUENCE GLDNQVTELD VSLYGWPPRP AFPTYDAIPQ ERFQAQADRY NQLFELYEEL DATA SEQUENCE DADLSSVTFW GIADNHTWLD DRAREYNDGV GKDAPFVFDP NYRVKPAFWR DATA SEQUENCE IID 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.868 176.000 -0.221 0.000 1.003 2 Q CA 0.000 55.771 55.803 -0.054 0.000 1.022 2 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 3 P HA 0.348 nan 4.420 nan 0.000 0.274 3 P C -0.374 176.619 177.300 -0.511 0.000 1.256 3 P CA -0.294 62.610 63.100 -0.327 0.000 0.795 3 P CB 0.574 32.211 31.700 -0.105 0.000 1.038 4 F N -0.440 119.193 119.950 -0.527 0.000 2.444 4 F HA 0.226 4.753 4.527 0.000 0.000 0.331 4 F C 2.121 177.345 175.800 -0.959 0.000 1.167 4 F CA -0.274 57.160 58.000 -0.943 0.000 1.262 4 F CB 0.076 38.016 39.000 -1.767 0.000 1.196 4 F HN 0.354 nan 8.300 nan 0.000 0.583 5 A N 1.991 124.369 122.820 -0.738 0.000 1.978 5 A HA -0.211 4.109 4.320 0.001 0.000 0.220 5 A C 1.568 178.867 177.584 -0.474 0.000 1.170 5 A CA 1.664 53.311 52.037 -0.650 0.000 0.636 5 A CB -1.237 17.134 19.000 -1.048 0.000 0.810 5 A HN 0.967 nan 8.150 nan 0.000 0.448 6 W N -0.889 120.146 121.300 -0.441 0.000 3.292 6 W HA 0.317 4.977 4.660 0.000 0.000 0.263 6 W C 1.105 177.325 176.519 -0.498 0.000 1.318 6 W CA 0.482 57.343 57.345 -0.807 0.000 1.663 6 W CB -0.290 28.868 29.460 -0.502 0.000 1.114 6 W HN 0.327 nan 8.180 nan 0.000 0.706 7 Q N 0.877 120.459 119.800 -0.364 0.000 2.246 7 Q HA 0.111 4.452 4.340 0.001 0.000 0.222 7 Q C 0.768 176.761 176.000 -0.012 0.000 0.851 7 Q CA 0.073 55.811 55.803 -0.107 0.000 0.945 7 Q CB 0.808 29.482 28.738 -0.106 0.000 1.122 7 Q HN 0.293 nan 8.270 nan 0.000 0.508 8 V N -2.742 117.137 119.914 -0.058 0.000 3.193 8 V HA 0.823 4.943 4.120 0.001 0.000 0.320 8 V C -0.001 176.268 176.094 0.292 0.000 1.112 8 V CA -1.243 61.118 62.300 0.103 0.000 1.026 8 V CB 1.066 32.785 31.823 -0.174 0.000 1.128 8 V HN 0.038 nan 8.190 nan 0.000 0.452 9 A N 1.225 124.286 122.820 0.403 0.000 2.462 9 A HA 0.466 4.786 4.320 0.001 0.000 0.243 9 A C 0.718 178.553 177.584 0.418 0.000 1.076 9 A CA 0.642 52.888 52.037 0.348 0.000 0.773 9 A CB -0.060 19.101 19.000 0.268 0.000 1.010 9 A HN 1.600 nan 8.150 nan 0.000 0.493 10 S N 1.909 117.688 115.700 0.131 0.000 2.525 10 S HA 0.128 4.598 4.470 0.001 0.000 0.285 10 S C 1.199 175.964 174.600 0.275 0.000 1.283 10 S CA -0.377 57.840 58.200 0.029 0.000 1.072 10 S CB -0.332 62.744 63.200 -0.206 0.000 0.867 10 S HN 0.548 nan 8.310 nan 0.000 0.492 11 L N 5.144 126.686 121.223 0.532 0.000 2.056 11 L HA -0.065 4.275 4.340 0.001 0.000 0.207 11 L C 2.886 179.944 176.870 0.313 0.000 1.078 11 L CA 1.528 56.602 54.840 0.389 0.000 0.749 11 L CB -0.916 41.333 42.059 0.316 0.000 0.901 11 L HN 0.877 nan 8.230 nan 0.000 0.433 12 A N 0.032 122.982 122.820 0.216 0.000 1.883 12 A HA -0.265 4.055 4.320 0.001 0.000 0.217 12 A C 1.927 179.589 177.584 0.130 0.000 1.186 12 A CA 2.209 54.355 52.037 0.181 0.000 0.624 12 A CB -0.590 18.486 19.000 0.127 0.000 0.822 12 A HN 0.386 nan 8.150 nan 0.000 0.444 13 D N -0.907 119.534 120.400 0.067 0.000 2.144 13 D HA -0.136 4.504 4.640 0.001 0.000 0.200 13 D C 2.067 178.359 176.300 -0.014 0.000 0.978 13 D CA 1.543 55.552 54.000 0.015 0.000 0.833 13 D CB -0.330 40.460 40.800 -0.017 0.000 0.961 13 D HN 0.448 nan 8.370 nan 0.000 0.470 14 R N 0.027 120.512 120.500 -0.025 0.000 2.120 14 R HA -0.142 4.199 4.340 0.001 0.000 0.234 14 R C 0.956 177.016 176.300 -0.401 0.000 1.123 14 R CA 1.297 57.272 56.100 -0.209 0.000 0.975 14 R CB -0.534 29.610 30.300 -0.259 0.000 0.866 14 R HN 0.240 nan 8.270 nan 0.000 0.446 15 Y N 0.589 120.877 120.300 -0.021 0.000 2.636 15 Y HA 0.199 4.749 4.550 0.000 0.000 0.260 15 Y C 1.055 176.858 175.900 -0.161 0.000 1.177 15 Y CA -0.063 57.953 58.100 -0.140 0.000 1.209 15 Y CB 0.218 38.611 38.460 -0.111 0.000 1.166 15 Y HN 0.319 nan 8.280 nan 0.000 0.531 16 E N 0.005 120.216 120.200 0.018 0.000 2.331 16 E HA -0.197 4.153 4.350 0.001 0.000 0.199 16 E C 0.641 177.230 176.600 -0.018 0.000 1.008 16 E CA 1.367 57.776 56.400 0.015 0.000 0.843 16 E CB 0.072 29.777 29.700 0.009 0.000 0.761 16 E HN 0.335 nan 8.360 nan 0.000 0.507 17 E N 0.147 120.311 120.200 -0.059 0.000 2.476 17 E HA 0.131 4.481 4.350 0.001 0.000 0.199 17 E C 1.091 177.640 176.600 -0.085 0.000 1.021 17 E CA 0.202 56.569 56.400 -0.055 0.000 0.907 17 E CB 0.949 30.618 29.700 -0.053 0.000 0.974 17 E HN 0.221 nan 8.360 nan 0.000 0.489 18 S N -0.196 115.384 115.700 -0.201 0.000 2.748 18 S HA 0.261 4.731 4.470 0.001 0.000 0.241 18 S C 0.080 174.518 174.600 -0.270 0.000 1.064 18 S CA 0.068 58.056 58.200 -0.354 0.000 0.892 18 S CB 0.551 63.294 63.200 -0.761 0.000 0.810 18 S HN 0.239 nan 8.310 nan 0.000 0.555 19 F N 0.012 120.039 119.950 0.128 0.000 2.799 19 F HA 0.549 5.077 4.527 0.000 0.000 0.316 19 F C -1.739 174.107 175.800 0.078 0.000 1.155 19 F CA -1.872 56.165 58.000 0.062 0.000 0.916 19 F CB -0.181 38.808 39.000 -0.020 0.000 1.294 19 F HN -0.280 nan 8.300 nan 0.000 0.447 20 D N 1.528 122.122 120.400 0.323 0.000 2.361 20 D HA 0.383 5.024 4.640 0.001 0.000 0.239 20 D C -0.202 176.266 176.300 0.280 0.000 1.200 20 D CA 0.343 54.484 54.000 0.235 0.000 0.915 20 D CB 0.761 41.645 40.800 0.140 0.000 1.170 20 D HN 0.407 nan 8.370 nan 0.000 0.444 21 I N 1.227 121.956 120.570 0.264 0.000 2.411 21 I HA 0.405 4.575 4.170 0.001 0.000 0.284 21 I C 0.704 177.055 176.117 0.392 0.000 1.012 21 I CA -0.358 61.118 61.300 0.293 0.000 1.119 21 I CB 0.881 39.055 38.000 0.290 0.000 1.261 21 I HN 0.250 nan 8.210 nan 0.000 0.448 22 G N 4.186 113.201 108.800 0.357 0.000 2.685 22 G HA2 0.880 4.840 3.960 0.001 0.000 0.298 22 G HA3 0.880 4.840 3.960 0.001 0.000 0.298 22 G C -1.508 173.595 174.900 0.338 0.000 1.277 22 G CA -0.662 44.647 45.100 0.347 0.000 0.986 22 G HN 0.698 nan 8.290 nan 0.000 0.487 23 A N -0.971 121.829 122.820 -0.034 0.000 2.486 23 A HA 0.840 5.161 4.320 0.001 0.000 0.300 23 A C -0.077 177.315 177.584 -0.320 0.000 1.048 23 A CA -0.010 51.880 52.037 -0.244 0.000 0.696 23 A CB 1.393 19.916 19.000 -0.796 0.000 1.278 23 A HN 2.014 nan 8.150 nan 0.000 0.405 24 A N 0.998 123.575 122.820 -0.405 0.000 2.401 24 A HA 0.651 4.971 4.320 0.001 0.000 0.259 24 A C 0.342 177.564 177.584 -0.602 0.000 1.103 24 A CA 0.323 51.953 52.037 -0.679 0.000 0.789 24 A CB -0.061 18.055 19.000 -1.474 0.000 1.035 24 A HN 2.279 nan 8.150 nan 0.000 0.491 25 V N -0.557 119.039 119.914 -0.530 0.000 3.130 25 V HA 0.799 4.919 4.120 0.001 0.000 0.310 25 V C -0.781 175.063 176.094 -0.418 0.000 1.158 25 V CA -0.947 61.054 62.300 -0.497 0.000 1.029 25 V CB 2.049 33.581 31.823 -0.486 0.000 1.057 25 V HN 0.821 nan 8.190 nan 0.000 0.436 26 E N 1.598 121.523 120.200 -0.458 0.000 2.227 26 E HA 0.453 4.804 4.350 0.001 0.000 0.268 26 E C -2.291 174.089 176.600 -0.368 0.000 0.907 26 E CA -1.861 54.347 56.400 -0.319 0.000 0.786 26 E CB 2.403 31.975 29.700 -0.213 0.000 1.191 26 E HN 0.507 nan 8.360 nan 0.000 0.411 27 P HA -0.224 nan 4.420 nan 0.000 0.217 27 P C 1.141 178.337 177.300 -0.173 0.000 1.151 27 P CA 1.515 64.523 63.100 -0.154 0.000 0.849 27 P CB -0.027 31.654 31.700 -0.031 0.000 0.787 28 H N -0.639 118.358 119.070 -0.120 0.000 2.524 28 H HA 0.015 4.572 4.556 0.001 0.000 0.282 28 H C 1.092 176.328 175.328 -0.152 0.000 1.016 28 H CA 0.859 56.844 56.048 -0.106 0.000 1.270 28 H CB -0.656 29.071 29.762 -0.058 0.000 1.394 28 H HN 0.265 nan 8.280 nan 0.000 0.568 29 Q N 0.986 120.345 119.800 -0.736 0.000 2.403 29 Q HA 0.207 4.548 4.340 0.001 0.000 0.203 29 Q C 1.089 176.795 176.000 -0.490 0.000 0.932 29 Q CA -0.086 55.369 55.803 -0.579 0.000 0.945 29 Q CB 0.418 28.740 28.738 -0.693 0.000 1.045 29 Q HN 0.441 nan 8.270 nan 0.000 0.511 30 L N 1.387 122.304 121.223 -0.510 0.000 2.919 30 L HA 0.209 4.549 4.340 0.001 0.000 0.242 30 L C 0.438 177.133 176.870 -0.292 0.000 1.366 30 L CA -0.172 54.268 54.840 -0.666 0.000 1.212 30 L CB -1.536 40.087 42.059 -0.726 0.000 1.604 30 L HN 0.269 nan 8.230 nan 0.000 0.433 31 N N -1.564 117.007 118.700 -0.215 0.000 3.413 31 N HA 0.583 5.323 4.740 0.001 0.000 0.273 31 N C 0.274 175.694 175.510 -0.151 0.000 1.458 31 N CA -0.146 52.838 53.050 -0.110 0.000 0.860 31 N CB 0.315 38.758 38.487 -0.073 0.000 1.556 31 N HN 0.232 nan 8.380 nan 0.000 0.475 32 G N -0.720 107.994 108.800 -0.144 0.000 2.601 32 G HA2 -0.221 3.739 3.960 0.001 0.000 0.261 32 G HA3 -0.221 3.739 3.960 0.001 0.000 0.261 32 G C 0.824 175.548 174.900 -0.293 0.000 1.289 32 G CA 1.152 46.140 45.100 -0.187 0.000 0.920 32 G HN 1.171 nan 8.290 nan 0.000 0.571 33 R N -0.301 119.975 120.500 -0.374 0.000 2.115 33 R HA -0.028 4.313 4.340 0.001 0.000 0.230 33 R C 2.918 178.841 176.300 -0.629 0.000 1.111 33 R CA 1.942 57.677 56.100 -0.609 0.000 0.976 33 R CB -0.261 29.609 30.300 -0.717 0.000 0.870 33 R HN 0.668 nan 8.270 nan 0.000 0.445 34 Q N -0.725 118.777 119.800 -0.497 0.000 2.167 34 Q HA -0.084 4.256 4.340 0.001 0.000 0.202 34 Q C 2.128 177.963 176.000 -0.274 0.000 0.970 34 Q CA 1.365 56.947 55.803 -0.367 0.000 0.855 34 Q CB -0.057 28.535 28.738 -0.244 0.000 0.911 34 Q HN 0.481 nan 8.270 nan 0.000 0.438 35 G N 1.078 109.731 108.800 -0.246 0.000 2.408 35 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 35 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 35 G C 1.326 176.203 174.900 -0.038 0.000 1.150 35 G CA 0.701 45.732 45.100 -0.115 0.000 0.776 35 G HN 0.196 nan 8.290 nan 0.000 0.542 36 K N 0.076 120.370 120.400 -0.177 0.000 2.026 36 K HA -0.029 4.292 4.320 0.001 0.000 0.208 36 K C 2.539 179.109 176.600 -0.050 0.000 1.048 36 K CA 1.200 57.373 56.287 -0.190 0.000 0.929 36 K CB -0.230 31.991 32.500 -0.466 0.000 0.713 36 K HN 0.161 nan 8.250 nan 0.000 0.439 37 V N 1.753 121.628 119.914 -0.066 0.000 2.343 37 V HA -0.253 3.868 4.120 0.001 0.000 0.247 37 V C 2.321 178.576 176.094 0.269 0.000 1.051 37 V CA 1.542 63.889 62.300 0.080 0.000 1.036 37 V CB -0.356 31.435 31.823 -0.053 0.000 0.654 37 V HN 0.325 nan 8.190 nan 0.000 0.451 38 L N -0.446 120.882 121.223 0.175 0.000 1.989 38 L HA -0.229 4.111 4.340 0.001 0.000 0.211 38 L C 2.625 179.717 176.870 0.370 0.000 1.071 38 L CA 1.907 56.911 54.840 0.273 0.000 0.749 38 L CB -0.571 41.556 42.059 0.114 0.000 0.890 38 L HN 0.275 nan 8.230 nan 0.000 0.431 39 K N -1.422 119.123 120.400 0.241 0.000 2.097 39 K HA -0.213 4.108 4.320 0.001 0.000 0.206 39 K C 2.188 178.857 176.600 0.116 0.000 1.049 39 K CA 1.064 57.431 56.287 0.134 0.000 0.933 39 K CB -0.272 32.256 32.500 0.046 0.000 0.717 39 K HN 0.351 nan 8.250 nan 0.000 0.442 40 H N -0.202 118.888 119.070 0.033 0.000 2.395 40 H HA -0.042 4.514 4.556 0.001 0.000 0.299 40 H C 1.422 176.634 175.328 -0.193 0.000 1.070 40 H CA 1.360 57.350 56.048 -0.096 0.000 1.356 40 H CB 0.472 30.147 29.762 -0.144 0.000 1.401 40 H HN 0.295 nan 8.280 nan 0.000 0.524 41 H N -1.632 117.571 119.070 0.221 0.000 2.681 41 H HA 0.071 4.628 4.556 0.000 0.000 0.268 41 H C -0.172 175.066 175.328 -0.150 0.000 0.967 41 H CA 0.126 56.182 56.048 0.013 0.000 1.233 41 H CB 0.640 30.317 29.762 -0.141 0.000 1.445 41 H HN 0.199 nan 8.280 nan 0.000 0.494 42 Y N 1.223 121.682 120.300 0.266 0.000 2.509 42 Y HA 0.194 4.744 4.550 0.001 0.000 0.341 42 Y C 0.775 176.755 175.900 0.134 0.000 1.038 42 Y CA -1.273 56.955 58.100 0.215 0.000 1.089 42 Y CB 0.860 39.440 38.460 0.199 0.000 1.241 42 Y HN 0.030 nan 8.280 nan 0.000 0.468 43 N N -0.916 117.947 118.700 0.273 0.000 2.241 43 N HA 0.265 5.005 4.740 0.001 0.000 0.238 43 N C -0.813 174.778 175.510 0.136 0.000 1.244 43 N CA -0.259 52.887 53.050 0.159 0.000 0.880 43 N CB 1.242 39.798 38.487 0.116 0.000 1.179 43 N HN 0.338 nan 8.380 nan 0.000 0.513 44 S N 0.152 115.955 115.700 0.171 0.000 2.537 44 S HA 0.747 5.217 4.470 0.001 0.000 0.271 44 S C -1.517 173.127 174.600 0.074 0.000 1.148 44 S CA -0.918 57.341 58.200 0.099 0.000 0.868 44 S CB 0.626 63.876 63.200 0.082 0.000 1.115 44 S HN 0.330 nan 8.310 nan 0.000 0.461 45 I N 0.521 121.093 120.570 0.004 0.000 3.191 45 I HA 0.966 5.136 4.170 0.001 0.000 0.313 45 I C -1.379 174.672 176.117 -0.110 0.000 1.193 45 I CA -1.113 60.146 61.300 -0.068 0.000 0.968 45 I CB 1.865 39.826 38.000 -0.065 0.000 1.262 45 I HN 0.519 nan 8.210 nan 0.000 0.456 46 V N 1.872 121.682 119.914 -0.174 0.000 3.012 46 V HA 0.821 4.941 4.120 0.001 0.000 0.307 46 V C -0.569 175.371 176.094 -0.257 0.000 1.166 46 V CA -0.285 61.906 62.300 -0.182 0.000 0.974 46 V CB 2.084 33.836 31.823 -0.119 0.000 1.040 46 V HN 1.163 nan 8.190 nan 0.000 0.428 47 A N 3.295 125.980 122.820 -0.225 0.000 2.404 47 A HA 0.396 4.716 4.320 0.001 0.000 0.273 47 A C 0.887 178.358 177.584 -0.188 0.000 1.144 47 A CA 0.472 52.378 52.037 -0.219 0.000 0.806 47 A CB 0.376 19.257 19.000 -0.199 0.000 1.080 47 A HN 1.062 nan 8.150 nan 0.000 0.509 48 E N 2.126 122.142 120.200 -0.307 0.000 2.150 48 E HA -0.164 4.186 4.350 0.001 0.000 0.193 48 E C 0.649 177.311 176.600 0.103 0.000 0.985 48 E CA 1.579 57.783 56.400 -0.327 0.000 0.814 48 E CB 0.113 29.561 29.700 -0.420 0.000 0.752 48 E HN 0.807 nan 8.360 nan 0.000 0.466 49 N N -1.745 116.997 118.700 0.070 0.000 2.160 49 N HA 0.081 4.821 4.740 0.001 0.000 0.242 49 N C 1.107 176.678 175.510 0.102 0.000 1.204 49 N CA 0.654 53.792 53.050 0.147 0.000 0.813 49 N CB 0.077 38.660 38.487 0.161 0.000 1.384 49 N HN 0.055 nan 8.380 nan 0.000 0.476 50 A N 0.797 123.643 122.820 0.043 0.000 2.234 50 A HA 0.012 4.332 4.320 0.001 0.000 0.216 50 A C 1.649 179.260 177.584 0.045 0.000 1.167 50 A CA 1.100 53.164 52.037 0.045 0.000 0.698 50 A CB -0.394 18.615 19.000 0.015 0.000 0.779 50 A HN 0.221 nan 8.150 nan 0.000 0.475 51 M N -1.318 118.264 119.600 -0.031 0.000 2.347 51 M HA 0.151 4.631 4.480 0.001 0.000 0.324 51 M C -0.124 176.161 176.300 -0.025 0.000 1.028 51 M CA -0.050 55.179 55.300 -0.118 0.000 0.988 51 M CB 0.585 32.806 32.600 -0.632 0.000 1.528 51 M HN 0.102 nan 8.290 nan 0.000 0.550 52 K N 0.945 121.398 120.400 0.088 0.000 2.180 52 K HA 0.140 4.460 4.320 0.001 0.000 0.251 52 K C -1.795 174.994 176.600 0.316 0.000 1.014 52 K CA -1.429 54.968 56.287 0.185 0.000 0.913 52 K CB 0.274 32.922 32.500 0.247 0.000 1.008 52 K HN -0.242 nan 8.250 nan 0.000 0.490 53 P HA -0.242 nan 4.420 nan 0.000 0.213 53 P C 1.213 178.685 177.300 0.287 0.000 1.176 53 P CA 1.311 64.665 63.100 0.423 0.000 0.919 53 P CB 0.063 31.974 31.700 0.352 0.000 0.791 54 I N -1.083 119.609 120.570 0.203 0.000 2.530 54 I HA -0.230 3.940 4.170 0.001 0.000 0.257 54 I C 1.393 177.583 176.117 0.122 0.000 1.179 54 I CA 1.424 62.798 61.300 0.125 0.000 1.440 54 I CB -0.053 38.007 38.000 0.100 0.000 1.087 54 I HN -0.081 nan 8.210 nan 0.000 0.440 55 S N 0.176 115.973 115.700 0.162 0.000 2.489 55 S HA 0.070 4.540 4.470 0.001 0.000 0.228 55 S C 1.634 176.305 174.600 0.119 0.000 0.995 55 S CA 0.659 58.939 58.200 0.134 0.000 0.934 55 S CB 0.127 63.415 63.200 0.146 0.000 0.771 55 S HN 0.420 nan 8.310 nan 0.000 0.522 56 L N -0.301 121.022 121.223 0.168 0.000 2.500 56 L HA 0.307 4.648 4.340 0.001 0.000 0.219 56 L C 1.145 177.970 176.870 -0.076 0.000 1.057 56 L CA 0.433 55.323 54.840 0.083 0.000 0.854 56 L CB 0.235 42.469 42.059 0.293 0.000 1.078 56 L HN 0.146 nan 8.230 nan 0.000 0.480 57 Q N 0.776 120.598 119.800 0.035 0.000 3.122 57 Q HA 0.194 4.534 4.340 0.001 0.000 0.282 57 Q C -1.910 174.073 176.000 -0.029 0.000 0.947 57 Q CA -1.555 54.132 55.803 -0.194 0.000 0.812 57 Q CB 1.449 30.120 28.738 -0.111 0.000 1.333 57 Q HN -0.014 nan 8.270 nan 0.000 0.430 58 P HA -0.189 nan 4.420 nan 0.000 0.219 58 P C -0.559 176.762 177.300 0.035 0.000 1.146 58 P CA 1.254 64.360 63.100 0.010 0.000 0.808 58 P CB 0.297 31.977 31.700 -0.032 0.000 0.779 59 E N -0.385 119.697 120.200 -0.197 0.000 2.304 59 E HA 0.290 4.641 4.350 0.001 0.000 0.277 59 E C -0.927 175.089 176.600 -0.974 0.000 0.898 59 E CA -1.103 54.949 56.400 -0.580 0.000 0.764 59 E CB 1.436 30.903 29.700 -0.389 0.000 1.216 59 E HN -0.100 nan 8.360 nan 0.000 0.419 60 E N 1.558 120.584 120.200 -1.956 0.000 2.905 60 E HA -0.032 4.319 4.350 0.001 0.000 0.240 60 E C 0.834 176.958 176.600 -0.793 0.000 0.990 60 E CA 1.766 57.124 56.400 -1.736 0.000 0.954 60 E CB -0.436 28.125 29.700 -1.898 0.000 0.908 60 E HN 0.880 nan 8.360 nan 0.000 0.532 61 G N 2.674 111.132 108.800 -0.571 0.000 2.195 61 G HA2 -0.261 3.700 3.960 0.001 0.000 0.246 61 G HA3 -0.261 3.700 3.960 0.001 0.000 0.246 61 G C 0.017 174.783 174.900 -0.223 0.000 0.984 61 G CA 0.032 44.996 45.100 -0.228 0.000 0.633 61 G HN 0.563 nan 8.290 nan 0.000 0.525 62 V N 1.722 121.346 119.914 -0.483 0.000 2.328 62 V HA 0.669 4.790 4.120 0.001 0.000 0.278 62 V C -0.369 175.405 176.094 -0.534 0.000 1.021 62 V CA -0.621 61.479 62.300 -0.333 0.000 0.838 62 V CB 0.676 32.335 31.823 -0.272 0.000 0.999 62 V HN 0.221 nan 8.190 nan 0.000 0.447 63 F N 2.591 122.394 119.950 -0.244 0.000 2.427 63 F HA 0.509 5.036 4.527 0.000 0.000 0.346 63 F C 0.861 176.273 175.800 -0.647 0.000 1.120 63 F CA -0.679 56.978 58.000 -0.571 0.000 1.033 63 F CB 1.962 40.462 39.000 -0.834 0.000 1.126 63 F HN 0.450 nan 8.300 nan 0.000 0.462 64 T N -0.905 113.391 114.554 -0.429 0.000 2.929 64 T HA 0.197 4.548 4.350 0.001 0.000 0.331 64 T C 0.214 174.840 174.700 -0.124 0.000 1.120 64 T CA -0.606 61.374 62.100 -0.200 0.000 0.973 64 T CB -0.010 68.812 68.868 -0.077 0.000 1.036 64 T HN 0.689 nan 8.240 nan 0.000 0.502 65 W N 1.046 122.472 121.300 0.211 0.000 2.704 65 W HA 0.140 4.800 4.660 0.000 0.000 0.266 65 W C 1.395 178.026 176.519 0.187 0.000 1.266 65 W CA -0.456 57.030 57.345 0.235 0.000 1.377 65 W CB -0.039 29.549 29.460 0.214 0.000 1.082 65 W HN 0.475 nan 8.180 nan 0.000 0.608 66 D N 0.727 121.329 120.400 0.337 0.000 2.230 66 D HA -0.259 4.381 4.640 0.001 0.000 0.189 66 D C 2.334 178.740 176.300 0.177 0.000 1.006 66 D CA 2.323 56.455 54.000 0.220 0.000 0.853 66 D CB -1.209 39.681 40.800 0.149 0.000 0.959 66 D HN 0.231 nan 8.370 nan 0.000 0.449 67 G N 0.581 109.471 108.800 0.151 0.000 2.514 67 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 67 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 67 G C 1.738 176.693 174.900 0.091 0.000 1.198 67 G CA 2.145 47.306 45.100 0.101 0.000 0.780 67 G HN 0.476 nan 8.290 nan 0.000 0.565 68 A N 1.019 123.931 122.820 0.153 0.000 1.877 68 A HA -0.084 4.237 4.320 0.001 0.000 0.216 68 A C 2.114 179.733 177.584 0.058 0.000 1.186 68 A CA 2.213 54.304 52.037 0.090 0.000 0.620 68 A CB -0.559 18.586 19.000 0.242 0.000 0.822 68 A HN 0.310 nan 8.150 nan 0.000 0.443 69 D N 0.163 120.699 120.400 0.226 0.000 2.149 69 D HA -0.091 4.549 4.640 0.001 0.000 0.198 69 D C 2.179 178.541 176.300 0.103 0.000 0.990 69 D CA 1.492 55.613 54.000 0.202 0.000 0.839 69 D CB -0.461 40.480 40.800 0.237 0.000 0.948 69 D HN 0.452 nan 8.370 nan 0.000 0.460 70 A N 0.763 123.634 122.820 0.084 0.000 1.877 70 A HA -0.144 4.176 4.320 0.001 0.000 0.216 70 A C 2.392 179.997 177.584 0.035 0.000 1.186 70 A CA 0.939 53.008 52.037 0.054 0.000 0.620 70 A CB -0.700 18.319 19.000 0.031 0.000 0.822 70 A HN 0.195 nan 8.150 nan 0.000 0.443 71 I N -0.489 120.071 120.570 -0.017 0.000 2.226 71 I HA -0.209 3.962 4.170 0.001 0.000 0.245 71 I C 2.348 178.467 176.117 0.003 0.000 1.100 71 I CA 1.104 62.376 61.300 -0.047 0.000 1.374 71 I CB -0.359 37.567 38.000 -0.123 0.000 1.057 71 I HN 0.150 nan 8.210 nan 0.000 0.413 72 V N 0.884 120.771 119.914 -0.046 0.000 2.343 72 V HA -0.288 3.832 4.120 0.001 0.000 0.247 72 V C 2.552 178.665 176.094 0.031 0.000 1.051 72 V CA 2.225 64.500 62.300 -0.041 0.000 1.036 72 V CB -0.647 31.136 31.823 -0.067 0.000 0.654 72 V HN 0.451 nan 8.190 nan 0.000 0.451 73 E N 0.270 120.505 120.200 0.059 0.000 2.110 73 E HA -0.263 4.087 4.350 0.001 0.000 0.193 73 E C 1.907 178.548 176.600 0.068 0.000 0.988 73 E CA 1.688 58.125 56.400 0.060 0.000 0.804 73 E CB -0.521 29.220 29.700 0.069 0.000 0.745 73 E HN 0.534 nan 8.360 nan 0.000 0.458 74 F N 0.535 120.456 119.950 -0.048 0.000 2.134 74 F HA -0.061 4.466 4.527 0.001 0.000 0.299 74 F C 2.104 177.871 175.800 -0.055 0.000 1.097 74 F CA 1.719 59.684 58.000 -0.059 0.000 1.264 74 F CB -0.652 38.298 39.000 -0.082 0.000 1.001 74 F HN 0.134 nan 8.300 nan 0.000 0.479 75 A N 0.520 123.380 122.820 0.067 0.000 1.902 75 A HA -0.169 4.151 4.320 0.001 0.000 0.217 75 A C 2.324 179.856 177.584 -0.087 0.000 1.181 75 A CA 1.642 53.665 52.037 -0.023 0.000 0.623 75 A CB -0.682 18.327 19.000 0.014 0.000 0.818 75 A HN 0.439 nan 8.150 nan 0.000 0.443 76 R N -0.540 119.925 120.500 -0.057 0.000 2.070 76 R HA -0.123 4.217 4.340 0.001 0.000 0.233 76 R C 2.626 178.869 176.300 -0.096 0.000 1.137 76 R CA 2.023 58.090 56.100 -0.055 0.000 0.945 76 R CB -0.427 29.859 30.300 -0.023 0.000 0.845 76 R HN 0.520 nan 8.270 nan 0.000 0.430 77 K N 1.091 121.410 120.400 -0.135 0.000 2.211 77 K HA -0.059 4.261 4.320 0.001 0.000 0.203 77 K C 1.286 177.750 176.600 -0.227 0.000 1.050 77 K CA 1.563 57.752 56.287 -0.165 0.000 0.945 77 K CB -0.502 31.896 32.500 -0.169 0.000 0.732 77 K HN 0.271 nan 8.250 nan 0.000 0.451 78 N N 0.428 118.935 118.700 -0.322 0.000 2.238 78 N HA 0.007 4.747 4.740 0.001 0.000 0.222 78 N C -0.380 175.022 175.510 -0.180 0.000 1.133 78 N CA 0.038 52.898 53.050 -0.317 0.000 0.854 78 N CB 0.475 38.616 38.487 -0.576 0.000 1.041 78 N HN 0.498 nan 8.380 nan 0.000 0.510 79 N N 1.094 119.718 118.700 -0.127 0.000 2.705 79 N HA -0.196 4.544 4.740 0.001 0.000 0.255 79 N C -1.111 174.373 175.510 -0.044 0.000 1.008 79 N CA 0.725 53.733 53.050 -0.068 0.000 0.742 79 N CB -0.980 37.476 38.487 -0.053 0.000 0.906 79 N HN 0.338 nan 8.380 nan 0.000 0.541 80 M N 0.125 119.699 119.600 -0.043 0.000 2.508 80 M HA 0.390 4.870 4.480 0.001 0.000 0.327 80 M C 0.460 176.764 176.300 0.006 0.000 1.160 80 M CA -0.948 54.352 55.300 0.000 0.000 0.980 80 M CB 1.301 33.913 32.600 0.021 0.000 1.693 80 M HN 0.045 nan 8.290 nan 0.000 0.452 81 N N 1.674 120.387 118.700 0.022 0.000 2.354 81 N HA 0.454 5.194 4.740 0.001 0.000 0.246 81 N C -1.242 174.260 175.510 -0.014 0.000 1.285 81 N CA -0.058 52.998 53.050 0.009 0.000 0.925 81 N CB 0.820 39.319 38.487 0.021 0.000 1.174 81 N HN 0.558 nan 8.380 nan 0.000 0.478 82 L N 0.962 122.158 121.223 -0.046 0.000 2.476 82 L HA 0.378 4.718 4.340 0.001 0.000 0.269 82 L C -0.779 176.009 176.870 -0.136 0.000 0.965 82 L CA -0.538 54.250 54.840 -0.086 0.000 0.845 82 L CB 1.255 43.257 42.059 -0.096 0.000 1.259 82 L HN 0.417 nan 8.230 nan 0.000 0.403 83 R N 3.560 123.979 120.500 -0.136 0.000 2.457 83 R HA 0.367 4.707 4.340 0.001 0.000 0.284 83 R C -1.175 175.037 176.300 -0.146 0.000 1.024 83 R CA -0.523 55.486 56.100 -0.152 0.000 1.025 83 R CB 2.052 32.272 30.300 -0.133 0.000 1.063 83 R HN 0.434 nan 8.270 nan 0.000 0.493 84 F N 2.139 121.904 119.950 -0.308 0.000 2.388 84 F HA 0.211 4.738 4.527 0.001 0.000 0.358 84 F C -0.490 175.318 175.800 0.014 0.000 1.122 84 F CA -0.664 57.187 58.000 -0.248 0.000 1.056 84 F CB 0.718 39.366 39.000 -0.586 0.000 1.155 84 F HN 0.488 nan 8.300 nan 0.000 0.461 85 H N 4.028 122.827 119.070 -0.452 0.000 2.800 85 H HA 0.486 5.042 4.556 0.000 0.000 0.322 85 H C -1.029 174.105 175.328 -0.324 0.000 0.979 85 H CA -0.094 55.827 56.048 -0.211 0.000 1.277 85 H CB 1.324 31.031 29.762 -0.092 0.000 1.484 85 H HN 0.685 nan 8.280 nan 0.000 0.512 86 T N 4.179 118.536 114.554 -0.328 0.000 2.889 86 T HA 0.199 4.549 4.350 0.001 0.000 0.315 86 T C 0.706 175.647 174.700 0.402 0.000 1.291 86 T CA -0.714 61.380 62.100 -0.009 0.000 1.028 86 T CB 1.010 69.595 68.868 -0.473 0.000 1.235 86 T HN 0.563 nan 8.240 nan 0.000 0.491 87 L N 2.055 123.560 121.223 0.470 0.000 2.156 87 L HA 0.278 4.618 4.340 0.001 0.000 0.208 87 L C 0.317 177.326 176.870 0.232 0.000 1.095 87 L CA 0.682 55.755 54.840 0.387 0.000 0.770 87 L CB 0.097 42.259 42.059 0.171 0.000 0.914 87 L HN 0.358 nan 8.230 nan 0.000 0.439 88 V N -1.916 118.054 119.914 0.092 0.000 2.841 88 V HA 0.491 4.611 4.120 0.001 0.000 0.310 88 V C -1.506 174.703 176.094 0.192 0.000 1.090 88 V CA -0.723 61.567 62.300 -0.016 0.000 0.930 88 V CB 2.761 34.396 31.823 -0.313 0.000 1.014 88 V HN 0.195 nan 8.190 nan 0.000 0.425 89 W N 3.793 125.134 121.300 0.068 0.000 3.173 89 W HA 0.423 5.084 4.660 0.000 0.000 0.313 89 W C 0.265 177.049 176.519 0.443 0.000 1.228 89 W CA -0.793 56.673 57.345 0.203 0.000 1.185 89 W CB 1.042 30.555 29.460 0.089 0.000 1.390 89 W HN 0.788 nan 8.180 nan 0.000 0.568 90 H N 0.617 119.710 119.070 0.038 0.000 2.539 90 H HA 0.390 4.946 4.556 0.001 0.000 0.269 90 H C -0.628 174.452 175.328 -0.414 0.000 0.980 90 H CA 0.236 56.255 56.048 -0.048 0.000 1.152 90 H CB 0.102 29.852 29.762 -0.019 0.000 1.407 90 H HN 0.336 nan 8.280 nan 0.000 0.564 91 N N 0.690 118.597 118.700 -1.321 0.000 2.380 91 N HA 0.115 4.855 4.740 0.001 0.000 0.290 91 N C -0.710 174.430 175.510 -0.617 0.000 1.236 91 N CA -0.846 51.477 53.050 -1.213 0.000 0.780 91 N CB 1.763 39.046 38.487 -2.006 0.000 1.438 91 N HN -0.004 nan 8.380 nan 0.000 0.491 92 Q N -0.029 119.614 119.800 -0.263 0.000 2.416 92 Q HA -0.181 4.160 4.340 0.001 0.000 0.319 92 Q C -1.449 174.629 176.000 0.129 0.000 1.318 92 Q CA 0.302 56.128 55.803 0.040 0.000 0.915 92 Q CB -0.839 28.042 28.738 0.239 0.000 1.184 92 Q HN 0.267 nan 8.270 nan 0.000 0.444 93 V N 0.581 120.547 119.914 0.086 0.000 2.577 93 V HA 0.563 4.683 4.120 0.001 0.000 0.303 93 V C -2.138 173.996 176.094 0.067 0.000 1.042 93 V CA -2.161 60.238 62.300 0.164 0.000 0.872 93 V CB 1.987 33.995 31.823 0.308 0.000 0.998 93 V HN 0.134 nan 8.190 nan 0.000 0.423 94 P HA 0.132 nan 4.420 nan 0.000 0.265 94 P C -0.301 176.783 177.300 -0.360 0.000 1.193 94 P CA 0.215 63.174 63.100 -0.234 0.000 0.765 94 P CB 0.895 32.353 31.700 -0.404 0.000 0.823 95 D N 2.162 122.480 120.400 -0.137 0.000 2.264 95 D HA -0.112 4.528 4.640 0.001 0.000 0.208 95 D C 1.867 178.087 176.300 -0.133 0.000 0.966 95 D CA 0.951 54.929 54.000 -0.038 0.000 0.864 95 D CB -0.474 40.355 40.800 0.049 0.000 0.933 95 D HN 0.620 nan 8.370 nan 0.000 0.499 96 W N 0.273 121.442 121.300 -0.219 0.000 2.350 96 W HA -0.187 4.473 4.660 0.000 0.000 0.289 96 W C 1.218 177.561 176.519 -0.295 0.000 1.215 96 W CA 0.071 57.270 57.345 -0.245 0.000 1.236 96 W CB -1.316 27.968 29.460 -0.292 0.000 1.130 96 W HN -0.152 nan 8.180 nan 0.000 0.541 97 F N 1.425 120.635 119.950 -1.234 0.000 2.115 97 F HA -0.175 4.352 4.527 0.001 0.000 0.300 97 F C 1.655 176.897 175.800 -0.931 0.000 1.092 97 F CA 1.402 58.552 58.000 -1.417 0.000 1.245 97 F CB -1.377 36.374 39.000 -2.083 0.000 0.995 97 F HN -0.249 nan 8.300 nan 0.000 0.481 98 F N 0.292 120.138 119.950 -0.173 0.000 2.777 98 F HA 0.275 4.803 4.527 0.000 0.000 0.291 98 F C -0.017 175.734 175.800 -0.082 0.000 1.187 98 F CA -0.204 57.685 58.000 -0.185 0.000 1.406 98 F CB -0.903 37.930 39.000 -0.279 0.000 0.982 98 F HN -0.286 nan 8.300 nan 0.000 0.509 99 L N 1.074 122.339 121.223 0.068 0.000 2.356 99 L HA 0.361 4.701 4.340 0.001 0.000 0.277 99 L C -0.241 176.671 176.870 0.070 0.000 0.996 99 L CA -1.260 53.625 54.840 0.075 0.000 0.822 99 L CB 1.638 43.745 42.059 0.080 0.000 1.256 99 L HN 0.111 nan 8.230 nan 0.000 0.413 100 D N 0.737 121.169 120.400 0.054 0.000 2.369 100 D HA -0.039 4.601 4.640 0.001 0.000 0.241 100 D C 0.689 177.016 176.300 0.046 0.000 1.271 100 D CA -0.282 53.747 54.000 0.048 0.000 0.942 100 D CB 0.701 41.521 40.800 0.034 0.000 1.129 100 D HN 0.530 nan 8.370 nan 0.000 0.476 101 E N -0.599 119.625 120.200 0.041 0.000 2.331 101 E HA -0.182 4.168 4.350 0.001 0.000 0.199 101 E C 1.842 178.454 176.600 0.021 0.000 1.008 101 E CA 1.343 57.762 56.400 0.032 0.000 0.843 101 E CB -0.237 29.480 29.700 0.029 0.000 0.761 101 E HN 0.737 nan 8.360 nan 0.000 0.507 102 E N 0.401 120.613 120.200 0.021 0.000 2.385 102 E HA 0.136 4.486 4.350 0.001 0.000 0.194 102 E C 1.533 178.141 176.600 0.014 0.000 1.013 102 E CA 0.737 57.146 56.400 0.014 0.000 0.866 102 E CB -0.248 29.460 29.700 0.013 0.000 0.832 102 E HN 0.336 nan 8.360 nan 0.000 0.500 103 G N -2.116 106.696 108.800 0.021 0.000 2.163 103 G HA2 0.045 4.006 3.960 0.001 0.000 0.213 103 G HA3 0.045 4.006 3.960 0.001 0.000 0.213 103 G C 0.409 175.323 174.900 0.024 0.000 0.991 103 G CA 0.911 46.024 45.100 0.022 0.000 0.653 103 G HN 1.258 nan 8.290 nan 0.000 0.518 104 N N 0.927 119.641 118.700 0.023 0.000 2.472 104 N HA 0.832 5.572 4.740 0.001 0.000 0.289 104 N C -2.285 173.241 175.510 0.026 0.000 1.156 104 N CA -1.176 51.886 53.050 0.020 0.000 0.940 104 N CB 1.196 39.691 38.487 0.013 0.000 1.200 104 N HN 0.144 nan 8.380 nan 0.000 0.511 105 P HA 0.074 nan 4.420 nan 0.000 0.269 105 P C 0.516 177.822 177.300 0.009 0.000 1.263 105 P CA 0.185 63.296 63.100 0.019 0.000 0.813 105 P CB 0.097 31.797 31.700 0.001 0.000 0.868 106 M N 3.452 123.065 119.600 0.023 0.000 2.146 106 M HA -0.199 4.282 4.480 0.001 0.000 0.256 106 M C 1.788 178.078 176.300 -0.016 0.000 1.075 106 M CA 1.990 57.296 55.300 0.011 0.000 1.082 106 M CB -0.882 31.735 32.600 0.027 0.000 1.355 106 M HN 0.196 nan 8.290 nan 0.000 0.402 107 V N -2.218 117.671 119.914 -0.042 0.000 3.383 107 V HA -0.057 4.063 4.120 0.001 0.000 0.272 107 V C 1.769 177.839 176.094 -0.039 0.000 1.181 107 V CA 1.865 64.129 62.300 -0.060 0.000 1.171 107 V CB -2.020 29.743 31.823 -0.099 0.000 0.800 107 V HN 0.559 nan 8.190 nan 0.000 0.515 108 E N 0.451 120.636 120.200 -0.024 0.000 2.290 108 E HA 0.130 4.480 4.350 0.001 0.000 0.197 108 E C 1.114 177.708 176.600 -0.011 0.000 0.948 108 E CA 0.429 56.819 56.400 -0.016 0.000 0.895 108 E CB -0.194 29.499 29.700 -0.011 0.000 0.865 108 E HN 0.716 nan 8.360 nan 0.000 0.486 109 E N 1.023 121.219 120.200 -0.007 0.000 2.502 109 E HA 0.041 4.392 4.350 0.001 0.000 0.261 109 E C 0.984 177.580 176.600 -0.006 0.000 0.974 109 E CA 1.046 57.444 56.400 -0.003 0.000 0.936 109 E CB 1.102 30.802 29.700 0.001 0.000 0.926 109 E HN 0.361 nan 8.360 nan 0.000 0.459 110 T N 0.488 115.040 114.554 -0.004 0.000 3.003 110 T HA 0.133 4.483 4.350 0.001 0.000 0.261 110 T C 0.404 175.102 174.700 -0.002 0.000 1.003 110 T CA -0.187 61.911 62.100 -0.004 0.000 0.917 110 T CB -0.130 68.736 68.868 -0.003 0.000 1.084 110 T HN 0.349 nan 8.240 nan 0.000 0.522 111 N N 2.041 120.741 118.700 -0.000 0.000 2.415 111 N HA 0.358 5.098 4.740 0.001 0.000 0.250 111 N C 1.395 176.906 175.510 0.002 0.000 1.127 111 N CA 0.746 53.797 53.050 0.002 0.000 0.945 111 N CB 0.851 39.341 38.487 0.004 0.000 1.196 111 N HN 0.374 nan 8.380 nan 0.000 0.499 112 E N 3.058 123.258 120.200 0.000 0.000 2.197 112 E HA -0.287 4.064 4.350 0.001 0.000 0.205 112 E C 1.750 178.352 176.600 0.003 0.000 1.029 112 E CA 2.008 58.408 56.400 -0.000 0.000 0.828 112 E CB -1.068 28.631 29.700 -0.000 0.000 0.737 112 E HN 0.797 nan 8.360 nan 0.000 0.464 113 A N 0.092 122.916 122.820 0.005 0.000 1.929 113 A HA 0.083 4.404 4.320 0.001 0.000 0.216 113 A C 2.256 179.847 177.584 0.011 0.000 1.176 113 A CA 2.114 54.156 52.037 0.008 0.000 0.628 113 A CB -0.124 18.881 19.000 0.008 0.000 0.816 113 A HN 0.389 nan 8.150 nan 0.000 0.444 114 K N 0.293 120.699 120.400 0.010 0.000 2.076 114 K HA 0.005 4.325 4.320 0.001 0.000 0.204 114 K C 2.049 178.657 176.600 0.013 0.000 1.051 114 K CA 1.294 57.588 56.287 0.013 0.000 0.949 114 K CB -0.327 32.180 32.500 0.011 0.000 0.726 114 K HN 0.431 nan 8.250 nan 0.000 0.443 115 R N 0.064 120.568 120.500 0.008 0.000 2.083 115 R HA -0.187 4.153 4.340 0.001 0.000 0.237 115 R C 2.372 178.678 176.300 0.011 0.000 1.137 115 R CA 1.837 57.940 56.100 0.005 0.000 0.951 115 R CB -0.459 29.838 30.300 -0.005 0.000 0.851 115 R HN 0.270 nan 8.270 nan 0.000 0.434 116 Q N 0.900 120.706 119.800 0.011 0.000 2.197 116 Q HA -0.150 4.190 4.340 0.001 0.000 0.207 116 Q C 1.805 177.821 176.000 0.026 0.000 0.984 116 Q CA 2.106 57.919 55.803 0.017 0.000 0.869 116 Q CB -0.223 28.523 28.738 0.014 0.000 0.906 116 Q HN 0.380 nan 8.270 nan 0.000 0.426 117 A N 0.091 122.926 122.820 0.026 0.000 1.929 117 A HA -0.122 4.198 4.320 0.001 0.000 0.216 117 A C 1.884 179.493 177.584 0.041 0.000 1.176 117 A CA 1.316 53.372 52.037 0.033 0.000 0.628 117 A CB -0.490 18.527 19.000 0.029 0.000 0.816 117 A HN 0.468 nan 8.150 nan 0.000 0.444 118 N N 0.202 118.925 118.700 0.037 0.000 2.142 118 N HA -0.154 4.586 4.740 0.001 0.000 0.186 118 N C 1.714 177.258 175.510 0.057 0.000 1.023 118 N CA 1.496 54.573 53.050 0.045 0.000 0.852 118 N CB -0.382 38.126 38.487 0.035 0.000 0.998 118 N HN 0.693 nan 8.380 nan 0.000 0.424 119 K N 1.433 121.863 120.400 0.051 0.000 2.034 119 K HA -0.242 4.078 4.320 0.001 0.000 0.214 119 K C 2.043 178.696 176.600 0.087 0.000 1.051 119 K CA 2.242 58.569 56.287 0.067 0.000 0.931 119 K CB -0.160 32.371 32.500 0.053 0.000 0.715 119 K HN 0.236 nan 8.250 nan 0.000 0.446 120 E N 1.116 121.360 120.200 0.074 0.000 2.204 120 E HA -0.153 4.198 4.350 0.001 0.000 0.195 120 E C 1.803 178.460 176.600 0.095 0.000 0.990 120 E CA 1.373 57.821 56.400 0.081 0.000 0.821 120 E CB -0.659 29.080 29.700 0.064 0.000 0.750 120 E HN 0.383 nan 8.360 nan 0.000 0.477 121 L N -0.607 120.671 121.223 0.091 0.000 2.068 121 L HA 0.098 4.438 4.340 0.001 0.000 0.204 121 L C 2.457 179.405 176.870 0.130 0.000 1.076 121 L CA 1.725 56.629 54.840 0.106 0.000 0.753 121 L CB -0.354 41.760 42.059 0.091 0.000 0.910 121 L HN 0.371 nan 8.230 nan 0.000 0.439 122 L N -0.405 120.885 121.223 0.111 0.000 1.989 122 L HA -0.205 4.135 4.340 0.001 0.000 0.211 122 L C 2.323 179.291 176.870 0.163 0.000 1.071 122 L CA 1.967 56.868 54.840 0.103 0.000 0.749 122 L CB -0.842 41.262 42.059 0.076 0.000 0.890 122 L HN 0.310 nan 8.230 nan 0.000 0.431 123 L N -0.593 120.736 121.223 0.177 0.000 2.079 123 L HA -0.233 4.108 4.340 0.001 0.000 0.210 123 L C 2.573 179.546 176.870 0.171 0.000 1.081 123 L CA 1.770 56.722 54.840 0.187 0.000 0.752 123 L CB -0.669 41.484 42.059 0.157 0.000 0.896 123 L HN 0.480 nan 8.230 nan 0.000 0.433 124 E N 0.352 120.649 120.200 0.162 0.000 2.152 124 E HA -0.187 4.163 4.350 0.001 0.000 0.192 124 E C 2.331 179.063 176.600 0.221 0.000 0.983 124 E CA 0.707 57.208 56.400 0.168 0.000 0.818 124 E CB 0.191 29.977 29.700 0.144 0.000 0.758 124 E HN 0.384 nan 8.360 nan 0.000 0.467 125 R N 0.051 120.709 120.500 0.263 0.000 2.062 125 R HA -0.104 4.236 4.340 0.001 0.000 0.229 125 R C 2.543 179.094 176.300 0.417 0.000 1.128 125 R CA 1.125 57.469 56.100 0.407 0.000 0.960 125 R CB -0.443 30.160 30.300 0.504 0.000 0.855 125 R HN 0.189 nan 8.270 nan 0.000 0.432 126 L N 1.940 123.304 121.223 0.235 0.000 2.043 126 L HA -0.209 4.131 4.340 0.001 0.000 0.212 126 L C 1.673 178.681 176.870 0.230 0.000 1.075 126 L CA 1.869 56.803 54.840 0.157 0.000 0.752 126 L CB -0.374 41.750 42.059 0.108 0.000 0.891 126 L HN 0.169 nan 8.230 nan 0.000 0.432 127 E N -1.195 119.131 120.200 0.209 0.000 2.051 127 E HA -0.199 4.151 4.350 0.001 0.000 0.192 127 E C 1.975 178.689 176.600 0.189 0.000 0.991 127 E CA 1.793 58.309 56.400 0.193 0.000 0.799 127 E CB -0.320 29.491 29.700 0.185 0.000 0.748 127 E HN 0.543 nan 8.360 nan 0.000 0.449 128 T N -0.101 114.595 114.554 0.236 0.000 2.821 128 T HA -0.173 4.177 4.350 0.001 0.000 0.267 128 T C 1.673 176.558 174.700 0.310 0.000 1.046 128 T CA 1.579 63.813 62.100 0.223 0.000 1.139 128 T CB -0.313 68.720 68.868 0.275 0.000 0.871 128 T HN 0.274 nan 8.240 nan 0.000 0.454 129 H N 1.114 120.399 119.070 0.357 0.000 2.270 129 H HA 0.039 4.595 4.556 0.000 0.000 0.299 129 H C 2.053 177.563 175.328 0.303 0.000 1.077 129 H CA 1.606 57.927 56.048 0.455 0.000 1.294 129 H CB -0.532 29.564 29.762 0.556 0.000 1.371 129 H HN 0.292 nan 8.280 nan 0.000 0.491 130 I N 0.455 121.136 120.570 0.185 0.000 2.163 130 I HA -0.279 3.891 4.170 0.001 0.000 0.243 130 I C 2.677 178.732 176.117 -0.103 0.000 1.085 130 I CA 1.525 62.829 61.300 0.007 0.000 1.347 130 I CB -0.384 37.628 38.000 0.020 0.000 1.044 130 I HN 0.294 nan 8.210 nan 0.000 0.408 131 K N 1.023 121.336 120.400 -0.145 0.000 2.057 131 K HA -0.173 4.148 4.320 0.001 0.000 0.207 131 K C 1.919 178.305 176.600 -0.357 0.000 1.049 131 K CA 2.175 58.161 56.287 -0.500 0.000 0.931 131 K CB -0.408 31.606 32.500 -0.811 0.000 0.714 131 K HN 0.277 nan 8.250 nan 0.000 0.440 132 T N 1.162 115.611 114.554 -0.176 0.000 2.737 132 T HA -0.081 4.270 4.350 0.001 0.000 0.265 132 T C 2.083 176.709 174.700 -0.125 0.000 1.038 132 T CA 1.467 63.462 62.100 -0.174 0.000 1.144 132 T CB -0.288 68.481 68.868 -0.164 0.000 0.866 132 T HN -0.017 nan 8.240 nan 0.000 0.434 133 V N 1.390 121.316 119.914 0.020 0.000 2.261 133 V HA -0.159 3.962 4.120 0.001 0.000 0.246 133 V C 2.737 178.829 176.094 -0.002 0.000 1.047 133 V CA 1.411 63.788 62.300 0.129 0.000 1.015 133 V CB -0.811 31.119 31.823 0.179 0.000 0.642 133 V HN 0.295 nan 8.190 nan 0.000 0.446 134 V N -0.091 119.773 119.914 -0.085 0.000 2.332 134 V HA -0.287 3.833 4.120 0.001 0.000 0.248 134 V C 2.561 178.629 176.094 -0.043 0.000 1.055 134 V CA 2.303 64.551 62.300 -0.086 0.000 1.038 134 V CB -0.673 30.933 31.823 -0.362 0.000 0.651 134 V HN 0.592 nan 8.190 nan 0.000 0.450 135 E N 0.293 120.398 120.200 -0.157 0.000 2.110 135 E HA -0.227 4.123 4.350 0.001 0.000 0.193 135 E C 2.343 178.807 176.600 -0.228 0.000 0.988 135 E CA 1.456 57.755 56.400 -0.169 0.000 0.804 135 E CB -0.264 29.300 29.700 -0.226 0.000 0.745 135 E HN 0.482 nan 8.360 nan 0.000 0.458 136 R N -1.422 118.834 120.500 -0.406 0.000 2.093 136 R HA -0.077 4.264 4.340 0.001 0.000 0.224 136 R C 0.881 176.844 176.300 -0.561 0.000 1.101 136 R CA 1.183 56.864 56.100 -0.699 0.000 0.979 136 R CB 0.025 29.502 30.300 -1.371 0.000 0.877 136 R HN 0.254 nan 8.270 nan 0.000 0.441 137 Y N 0.368 120.666 120.300 -0.003 0.000 2.500 137 Y HA 0.169 4.719 4.550 0.000 0.000 0.246 137 Y C 1.437 177.433 175.900 0.161 0.000 1.146 137 Y CA -0.435 57.707 58.100 0.069 0.000 1.230 137 Y CB 0.256 38.779 38.460 0.106 0.000 1.214 137 Y HN 0.041 nan 8.280 nan 0.000 0.526 138 K N -0.080 120.526 120.400 0.344 0.000 2.127 138 K HA -0.218 4.103 4.320 0.001 0.000 0.208 138 K C 0.514 177.268 176.600 0.258 0.000 1.047 138 K CA 2.226 58.749 56.287 0.394 0.000 0.927 138 K CB -0.273 32.361 32.500 0.224 0.000 0.716 138 K HN 0.143 nan 8.250 nan 0.000 0.450 139 D N 0.913 121.410 120.400 0.161 0.000 2.363 139 D HA -0.053 4.588 4.640 0.001 0.000 0.220 139 D C 0.833 177.191 176.300 0.097 0.000 0.994 139 D CA 0.743 54.809 54.000 0.110 0.000 0.890 139 D CB 0.145 40.986 40.800 0.068 0.000 0.906 139 D HN 0.388 nan 8.370 nan 0.000 0.530 140 D N -0.200 120.267 120.400 0.111 0.000 2.470 140 D HA 0.028 4.668 4.640 0.001 0.000 0.238 140 D C 0.686 176.988 176.300 0.003 0.000 1.054 140 D CA 0.115 54.150 54.000 0.058 0.000 0.896 140 D CB 1.390 42.230 40.800 0.067 0.000 1.118 140 D HN -0.039 nan 8.370 nan 0.000 0.497 141 V N 2.450 122.346 119.914 -0.030 0.000 2.572 141 V HA 0.041 4.161 4.120 0.001 0.000 0.291 141 V C 1.646 177.686 176.094 -0.090 0.000 1.039 141 V CA 0.733 62.901 62.300 -0.219 0.000 1.055 141 V CB 1.341 32.711 31.823 -0.755 0.000 0.969 141 V HN 0.250 nan 8.190 nan 0.000 0.482 142 T N 0.664 115.162 114.554 -0.092 0.000 3.001 142 T HA 0.581 4.932 4.350 0.001 0.000 0.251 142 T C 0.315 175.051 174.700 0.059 0.000 1.040 142 T CA 0.450 62.562 62.100 0.019 0.000 0.985 142 T CB 0.475 69.356 68.868 0.022 0.000 1.011 142 T HN 1.024 nan 8.240 nan 0.000 0.509 143 A N 0.302 123.091 122.820 -0.051 0.000 2.540 143 A HA 0.596 4.916 4.320 0.001 0.000 0.297 143 A C -2.225 175.343 177.584 -0.026 0.000 1.056 143 A CA -1.109 50.968 52.037 0.066 0.000 0.700 143 A CB 0.877 19.807 19.000 -0.116 0.000 1.280 143 A HN 0.377 nan 8.150 nan 0.000 0.398 144 W N 1.392 122.845 121.300 0.254 0.000 2.532 144 W HA 0.490 5.150 4.660 0.001 0.000 0.321 144 W C -0.822 175.844 176.519 0.245 0.000 1.037 144 W CA -0.225 57.261 57.345 0.235 0.000 1.220 144 W CB 1.758 31.301 29.460 0.138 0.000 1.361 144 W HN 0.565 nan 8.180 nan 0.000 0.468 145 D N 3.075 123.723 120.400 0.413 0.000 2.483 145 D HA 0.087 4.728 4.640 0.001 0.000 0.220 145 D C 1.288 177.719 176.300 0.219 0.000 1.173 145 D CA 0.149 54.316 54.000 0.279 0.000 0.964 145 D CB 1.136 42.067 40.800 0.220 0.000 1.046 145 D HN 0.113 nan 8.370 nan 0.000 0.517 146 V N 1.776 121.732 119.914 0.069 0.000 2.255 146 V HA -0.168 3.952 4.120 0.001 0.000 0.247 146 V C 1.202 177.124 176.094 -0.287 0.000 1.051 146 V CA 1.321 63.458 62.300 -0.272 0.000 1.018 146 V CB -0.331 30.878 31.823 -1.024 0.000 0.641 146 V HN 0.457 nan 8.190 nan 0.000 0.445 147 V N -2.053 117.706 119.914 -0.259 0.000 2.823 147 V HA 0.574 4.695 4.120 0.001 0.000 0.312 147 V C -0.787 175.301 176.094 -0.011 0.000 1.072 147 V CA -0.880 61.341 62.300 -0.133 0.000 0.937 147 V CB 1.964 33.695 31.823 -0.154 0.000 1.013 147 V HN 0.366 nan 8.190 nan 0.000 0.430 148 N N 1.968 120.690 118.700 0.037 0.000 2.354 148 N HA 0.317 5.057 4.740 0.001 0.000 0.287 148 N C -0.633 175.004 175.510 0.212 0.000 1.016 148 N CA -0.308 52.743 53.050 0.001 0.000 0.871 148 N CB 1.474 39.758 38.487 -0.338 0.000 1.299 148 N HN 1.009 nan 8.380 nan 0.000 0.482 149 E N 1.056 121.364 120.200 0.180 0.000 2.222 149 E HA -0.165 4.186 4.350 0.001 0.000 0.189 149 E C 0.937 177.691 176.600 0.257 0.000 1.415 149 E CA 0.253 56.816 56.400 0.270 0.000 0.689 149 E CB -1.566 28.474 29.700 0.566 0.000 1.107 149 E HN 0.494 nan 8.360 nan 0.000 0.350 150 V N -2.815 117.194 119.914 0.158 0.000 3.608 150 V HA 0.138 4.258 4.120 0.001 0.000 0.269 150 V C 0.860 176.988 176.094 0.057 0.000 1.245 150 V CA 0.048 62.441 62.300 0.155 0.000 1.138 150 V CB 0.608 32.510 31.823 0.133 0.000 0.841 150 V HN 0.186 nan 8.190 nan 0.000 0.451 151 V N 1.757 121.680 119.914 0.015 0.000 2.539 151 V HA 0.430 4.550 4.120 0.001 0.000 0.292 151 V C -0.177 175.885 176.094 -0.053 0.000 1.045 151 V CA -0.321 61.965 62.300 -0.023 0.000 0.945 151 V CB 1.493 33.317 31.823 0.001 0.000 0.993 151 V HN 0.468 nan 8.190 nan 0.000 0.464 152 D N 1.757 122.118 120.400 -0.065 0.000 2.329 152 D HA 0.183 4.823 4.640 0.001 0.000 0.246 152 D C 0.692 176.998 176.300 0.010 0.000 1.111 152 D CA -0.275 53.696 54.000 -0.048 0.000 0.941 152 D CB 1.176 41.922 40.800 -0.089 0.000 1.169 152 D HN 0.560 nan 8.370 nan 0.000 0.441 153 D N 1.243 121.660 120.400 0.027 0.000 2.323 153 D HA 0.073 4.713 4.640 0.001 0.000 0.209 153 D C 0.861 177.217 176.300 0.093 0.000 0.973 153 D CA 0.385 54.420 54.000 0.058 0.000 0.874 153 D CB 0.458 41.319 40.800 0.101 0.000 0.930 153 D HN 0.424 nan 8.370 nan 0.000 0.521 154 G N -0.425 108.426 108.800 0.085 0.000 3.194 154 G HA2 0.346 4.307 3.960 0.001 0.000 0.160 154 G HA3 0.346 4.307 3.960 0.001 0.000 0.160 154 G C -0.318 174.660 174.900 0.130 0.000 1.267 154 G CA -0.102 45.056 45.100 0.097 0.000 0.962 154 G HN 0.009 nan 8.290 nan 0.000 0.612 155 T N 1.941 116.542 114.554 0.079 0.000 3.816 155 T HA 0.313 4.664 4.350 0.001 0.000 0.232 155 T C -1.726 172.966 174.700 -0.014 0.000 1.125 155 T CA -0.474 61.654 62.100 0.047 0.000 1.609 155 T CB 1.674 70.631 68.868 0.148 0.000 0.805 155 T HN 0.354 nan 8.240 nan 0.000 0.647 156 P HA -0.038 nan 4.420 nan 0.000 0.225 156 P C -0.006 177.266 177.300 -0.047 0.000 1.148 156 P CA 0.871 63.943 63.100 -0.046 0.000 0.779 156 P CB 0.139 31.796 31.700 -0.072 0.000 0.780 157 N N -3.738 114.911 118.700 -0.085 0.000 2.494 157 N HA 0.347 5.087 4.740 0.001 0.000 0.270 157 N C 0.840 176.305 175.510 -0.075 0.000 1.285 157 N CA -0.172 52.846 53.050 -0.053 0.000 0.812 157 N CB 0.013 38.477 38.487 -0.038 0.000 1.557 157 N HN -0.236 nan 8.380 nan 0.000 0.487 158 E N 0.248 120.435 120.200 -0.022 0.000 2.171 158 E HA -0.198 4.152 4.350 0.001 0.000 0.197 158 E C 1.391 177.965 176.600 -0.043 0.000 0.997 158 E CA 1.717 58.114 56.400 -0.005 0.000 0.810 158 E CB -0.764 28.950 29.700 0.023 0.000 0.738 158 E HN 0.644 nan 8.360 nan 0.000 0.467 159 R N -1.554 118.893 120.500 -0.088 0.000 2.310 159 R HA 0.297 4.637 4.340 0.001 0.000 0.202 159 R C 1.582 177.653 176.300 -0.383 0.000 0.933 159 R CA 0.374 56.404 56.100 -0.117 0.000 1.054 159 R CB 0.322 30.603 30.300 -0.031 0.000 0.985 159 R HN 0.507 nan 8.270 nan 0.000 0.489 160 G N 1.768 110.194 108.800 -0.623 0.000 2.249 160 G HA2 -0.283 3.677 3.960 0.001 0.000 0.273 160 G HA3 -0.283 3.677 3.960 0.001 0.000 0.273 160 G C 0.003 174.633 174.900 -0.449 0.000 1.036 160 G CA -0.003 44.519 45.100 -0.964 0.000 0.824 160 G HN 0.182 nan 8.290 nan 0.000 0.504 161 L N -0.379 120.637 121.223 -0.345 0.000 2.371 161 L HA 0.384 4.725 4.340 0.001 0.000 0.272 161 L C 1.440 178.079 176.870 -0.385 0.000 1.124 161 L CA -0.912 53.745 54.840 -0.305 0.000 0.816 161 L CB 0.905 42.775 42.059 -0.315 0.000 1.129 161 L HN 0.286 nan 8.230 nan 0.000 0.448 162 R N 2.631 122.987 120.500 -0.240 0.000 2.421 162 R HA 0.017 4.358 4.340 0.001 0.000 0.305 162 R C -0.198 175.915 176.300 -0.311 0.000 1.039 162 R CA -0.129 55.841 56.100 -0.216 0.000 1.003 162 R CB 0.363 30.581 30.300 -0.138 0.000 0.959 162 R HN 0.591 nan 8.270 nan 0.000 0.427 163 E N 3.160 123.180 120.200 -0.300 0.000 2.392 163 E HA 0.010 4.360 4.350 0.001 0.000 0.307 163 E C 0.195 176.776 176.600 -0.032 0.000 1.505 163 E CA -0.227 56.055 56.400 -0.196 0.000 1.716 163 E CB 0.297 29.934 29.700 -0.105 0.000 1.450 163 E HN 0.629 nan 8.360 nan 0.000 0.484 164 S N -0.701 114.974 115.700 -0.043 0.000 2.625 164 S HA 0.052 4.522 4.470 0.001 0.000 0.262 164 S C 1.375 175.907 174.600 -0.113 0.000 1.223 164 S CA -0.572 57.576 58.200 -0.087 0.000 0.993 164 S CB 1.337 64.491 63.200 -0.077 0.000 1.051 164 S HN 0.180 nan 8.310 nan 0.000 0.562 165 V N 0.197 119.922 119.914 -0.316 0.000 2.490 165 V HA -0.090 4.030 4.120 0.001 0.000 0.250 165 V C 1.806 177.571 176.094 -0.549 0.000 1.061 165 V CA 1.672 63.631 62.300 -0.567 0.000 1.064 165 V CB -1.056 30.081 31.823 -1.143 0.000 0.670 165 V HN 0.852 nan 8.190 nan 0.000 0.461 166 W N -1.070 119.925 121.300 -0.509 0.000 2.358 166 W HA -0.165 4.496 4.660 0.000 0.000 0.303 166 W C 2.439 178.649 176.519 -0.515 0.000 1.208 166 W CA 1.821 58.765 57.345 -0.669 0.000 1.274 166 W CB -0.722 27.891 29.460 -1.411 0.000 1.138 166 W HN 0.406 nan 8.180 nan 0.000 0.515 167 Y N 1.304 121.494 120.300 -0.184 0.000 2.133 167 Y HA -0.278 4.272 4.550 0.001 0.000 0.287 167 Y C 2.413 178.315 175.900 0.004 0.000 1.134 167 Y CA 2.189 60.312 58.100 0.038 0.000 1.133 167 Y CB -0.817 37.687 38.460 0.074 0.000 0.987 167 Y HN -0.012 nan 8.280 nan 0.000 0.502 168 Q N -0.167 119.629 119.800 -0.007 0.000 2.152 168 Q HA -0.208 4.132 4.340 0.001 0.000 0.206 168 Q C 2.135 178.056 176.000 -0.132 0.000 0.985 168 Q CA 2.281 58.029 55.803 -0.092 0.000 0.863 168 Q CB -0.207 28.489 28.738 -0.069 0.000 0.904 168 Q HN 0.582 nan 8.270 nan 0.000 0.422 169 I N -0.787 119.713 120.570 -0.116 0.000 3.228 169 I HA -0.059 4.111 4.170 0.001 0.000 0.279 169 I C 1.674 177.778 176.117 -0.022 0.000 1.221 169 I CA 1.208 62.468 61.300 -0.067 0.000 1.458 169 I CB 0.301 38.269 38.000 -0.053 0.000 1.105 169 I HN 0.217 nan 8.210 nan 0.000 0.445 170 T N -2.938 111.615 114.554 -0.001 0.000 3.130 170 T HA 0.478 4.828 4.350 0.001 0.000 0.288 170 T C 0.995 175.729 174.700 0.057 0.000 0.936 170 T CA 0.259 62.405 62.100 0.076 0.000 0.897 170 T CB 0.492 69.493 68.868 0.223 0.000 1.178 170 T HN 0.421 nan 8.240 nan 0.000 0.543 171 G N 3.113 111.838 108.800 -0.124 0.000 2.556 171 G HA2 -0.348 3.612 3.960 0.001 0.000 0.283 171 G HA3 -0.348 3.612 3.960 0.001 0.000 0.283 171 G C 0.309 175.334 174.900 0.208 0.000 1.177 171 G CA 0.738 45.700 45.100 -0.231 0.000 0.978 171 G HN 0.759 nan 8.290 nan 0.000 0.554 172 D N 0.398 120.918 120.400 0.199 0.000 2.349 172 D HA 0.172 4.812 4.640 0.001 0.000 0.214 172 D C 1.635 177.969 176.300 0.056 0.000 1.063 172 D CA 1.168 55.273 54.000 0.175 0.000 0.847 172 D CB -0.087 40.777 40.800 0.107 0.000 0.933 172 D HN 0.709 nan 8.370 nan 0.000 0.513 173 E N -0.205 120.078 120.200 0.138 0.000 2.160 173 E HA -0.212 4.139 4.350 0.001 0.000 0.195 173 E C 1.558 178.232 176.600 0.124 0.000 0.991 173 E CA 1.147 57.612 56.400 0.108 0.000 0.810 173 E CB -0.397 29.374 29.700 0.118 0.000 0.742 173 E HN 0.685 nan 8.360 nan 0.000 0.466 174 Y N -0.357 119.997 120.300 0.090 0.000 2.274 174 Y HA -0.140 4.411 4.550 0.001 0.000 0.290 174 Y C 1.945 177.816 175.900 -0.049 0.000 1.145 174 Y CA 0.756 58.880 58.100 0.041 0.000 1.203 174 Y CB -0.509 38.017 38.460 0.110 0.000 0.984 174 Y HN -0.090 nan 8.280 nan 0.000 0.533 175 I N 0.921 121.074 120.570 -0.694 0.000 2.163 175 I HA -0.244 3.926 4.170 0.001 0.000 0.240 175 I C 2.632 178.713 176.117 -0.060 0.000 1.081 175 I CA 1.524 62.538 61.300 -0.477 0.000 1.353 175 I CB -0.435 37.293 38.000 -0.454 0.000 1.054 175 I HN 0.151 nan 8.210 nan 0.000 0.407 176 R N 0.307 120.786 120.500 -0.035 0.000 2.083 176 R HA -0.134 4.206 4.340 0.001 0.000 0.237 176 R C 2.302 178.631 176.300 0.049 0.000 1.137 176 R CA 1.443 57.565 56.100 0.037 0.000 0.951 176 R CB -0.726 29.579 30.300 0.010 0.000 0.851 176 R HN 0.204 nan 8.270 nan 0.000 0.434 177 V N 1.194 121.124 119.914 0.026 0.000 2.407 177 V HA -0.250 3.870 4.120 0.001 0.000 0.248 177 V C 2.469 178.562 176.094 -0.001 0.000 1.055 177 V CA 1.918 64.237 62.300 0.032 0.000 1.049 177 V CB -0.744 31.118 31.823 0.064 0.000 0.662 177 V HN 0.439 nan 8.190 nan 0.000 0.455 178 A N -0.305 122.476 122.820 -0.065 0.000 1.865 178 A HA -0.205 4.116 4.320 0.001 0.000 0.217 178 A C 2.040 179.498 177.584 -0.209 0.000 1.191 178 A CA 2.006 53.938 52.037 -0.176 0.000 0.623 178 A CB -0.757 18.048 19.000 -0.324 0.000 0.826 178 A HN 0.452 nan 8.150 nan 0.000 0.444 179 F N 0.153 120.043 119.950 -0.099 0.000 2.146 179 F HA -0.097 4.430 4.527 0.001 0.000 0.298 179 F C 2.488 178.223 175.800 -0.108 0.000 1.096 179 F CA 1.791 59.729 58.000 -0.102 0.000 1.275 179 F CB -0.475 38.464 39.000 -0.102 0.000 1.008 179 F HN 0.309 nan 8.300 nan 0.000 0.480 180 E N -0.628 119.626 120.200 0.091 0.000 2.077 180 E HA -0.178 4.173 4.350 0.001 0.000 0.193 180 E C 2.114 178.678 176.600 -0.060 0.000 0.989 180 E CA 1.862 58.264 56.400 0.003 0.000 0.800 180 E CB -0.355 29.344 29.700 -0.002 0.000 0.746 180 E HN 0.323 nan 8.360 nan 0.000 0.452 181 T N 0.773 115.303 114.554 -0.040 0.000 2.777 181 T HA -0.113 4.237 4.350 0.001 0.000 0.266 181 T C 2.018 176.682 174.700 -0.060 0.000 1.040 181 T CA 1.128 63.216 62.100 -0.020 0.000 1.141 181 T CB -0.221 68.697 68.868 0.082 0.000 0.868 181 T HN 0.245 nan 8.240 nan 0.000 0.444 182 A N 1.926 124.660 122.820 -0.142 0.000 1.902 182 A HA -0.134 4.187 4.320 0.001 0.000 0.217 182 A C 2.257 179.679 177.584 -0.270 0.000 1.181 182 A CA 2.031 53.886 52.037 -0.305 0.000 0.623 182 A CB -0.526 18.237 19.000 -0.395 0.000 0.818 182 A HN 0.339 nan 8.150 nan 0.000 0.443 183 R N 0.429 120.832 120.500 -0.162 0.000 2.073 183 R HA -0.115 4.225 4.340 0.001 0.000 0.234 183 R C 2.127 178.322 176.300 -0.174 0.000 1.134 183 R CA 2.281 58.303 56.100 -0.131 0.000 0.952 183 R CB -0.605 29.651 30.300 -0.072 0.000 0.850 183 R HN 0.535 nan 8.270 nan 0.000 0.433 184 K N -1.025 119.228 120.400 -0.244 0.000 2.020 184 K HA -0.223 4.097 4.320 0.001 0.000 0.212 184 K C 1.662 177.990 176.600 -0.453 0.000 1.050 184 K CA 2.060 58.106 56.287 -0.403 0.000 0.929 184 K CB -0.297 31.833 32.500 -0.618 0.000 0.714 184 K HN 0.286 nan 8.250 nan 0.000 0.443 185 Y N -0.745 119.479 120.300 -0.128 0.000 2.490 185 Y HA 0.182 4.732 4.550 0.001 0.000 0.285 185 Y C 2.051 177.862 175.900 -0.150 0.000 1.117 185 Y CA 0.577 58.598 58.100 -0.132 0.000 1.262 185 Y CB 0.020 38.392 38.460 -0.147 0.000 1.043 185 Y HN 0.181 nan 8.280 nan 0.000 0.553 186 A N -0.169 122.592 122.820 -0.098 0.000 2.132 186 A HA 0.501 4.821 4.320 0.001 0.000 0.213 186 A C 1.401 178.969 177.584 -0.027 0.000 1.154 186 A CA 0.849 52.823 52.037 -0.105 0.000 0.753 186 A CB -0.707 18.095 19.000 -0.331 0.000 0.826 186 A HN 0.451 nan 8.150 nan 0.000 0.469 187 G N -2.936 105.833 108.800 -0.052 0.000 2.663 187 G HA2 0.296 4.256 3.960 0.001 0.000 0.686 187 G HA3 0.296 4.256 3.960 0.001 0.000 0.686 187 G C 0.332 175.222 174.900 -0.018 0.000 1.288 187 G CA 0.381 45.466 45.100 -0.025 0.000 0.836 187 G HN 1.012 nan 8.290 nan 0.000 0.584 188 E N -0.530 119.663 120.200 -0.012 0.000 2.153 188 E HA -0.096 4.254 4.350 0.001 0.000 0.194 188 E C 1.930 178.541 176.600 0.018 0.000 0.988 188 E CA 2.176 58.573 56.400 -0.006 0.000 0.811 188 E CB -0.386 29.309 29.700 -0.009 0.000 0.746 188 E HN 0.631 nan 8.360 nan 0.000 0.466 189 D N -0.299 120.123 120.400 0.038 0.000 2.347 189 D HA 0.223 4.864 4.640 0.001 0.000 0.215 189 D C 0.861 177.224 176.300 0.105 0.000 0.976 189 D CA 0.785 54.822 54.000 0.063 0.000 0.884 189 D CB -0.118 40.721 40.800 0.065 0.000 0.915 189 D HN 0.534 nan 8.370 nan 0.000 0.526 190 A N 1.028 123.918 122.820 0.117 0.000 2.520 190 A HA 0.086 4.407 4.320 0.001 0.000 0.245 190 A C 0.369 178.083 177.584 0.218 0.000 1.072 190 A CA 0.068 52.230 52.037 0.209 0.000 0.761 190 A CB 0.179 19.261 19.000 0.137 0.000 1.004 190 A HN -0.061 nan 8.150 nan 0.000 0.499 191 K N 2.686 123.289 120.400 0.338 0.000 2.262 191 K HA 0.410 4.730 4.320 0.001 0.000 0.282 191 K C -1.055 175.811 176.600 0.442 0.000 1.066 191 K CA 0.084 56.561 56.287 0.317 0.000 0.901 191 K CB 0.830 33.576 32.500 0.411 0.000 1.089 191 K HN 0.609 nan 8.250 nan 0.000 0.476 192 L N 4.639 126.004 121.223 0.235 0.000 2.272 192 L HA 0.464 4.805 4.340 0.001 0.000 0.289 192 L C -0.538 176.480 176.870 0.247 0.000 1.032 192 L CA -0.705 54.343 54.840 0.347 0.000 0.810 192 L CB 0.169 42.444 42.059 0.360 0.000 1.205 192 L HN 0.396 nan 8.230 nan 0.000 0.422 193 F N 3.218 123.359 119.950 0.319 0.000 2.507 193 F HA 0.538 5.065 4.527 0.001 0.000 0.327 193 F C 0.127 176.092 175.800 0.275 0.000 1.068 193 F CA -0.740 57.394 58.000 0.223 0.000 0.965 193 F CB 2.162 41.224 39.000 0.104 0.000 1.192 193 F HN 0.287 nan 8.300 nan 0.000 0.476 194 I N 3.165 123.950 120.570 0.359 0.000 2.355 194 I HA 0.311 4.481 4.170 0.001 0.000 0.288 194 I C -0.886 175.280 176.117 0.082 0.000 0.999 194 I CA -0.214 61.244 61.300 0.264 0.000 1.163 194 I CB 0.373 38.492 38.000 0.197 0.000 1.316 194 I HN 0.591 nan 8.210 nan 0.000 0.454 195 N N 5.866 124.603 118.700 0.060 0.000 2.487 195 N HA 0.312 5.052 4.740 0.001 0.000 0.292 195 N C -1.408 174.078 175.510 -0.040 0.000 1.108 195 N CA -0.249 52.789 53.050 -0.020 0.000 0.956 195 N CB 1.097 39.583 38.487 -0.002 0.000 1.176 195 N HN 0.648 nan 8.380 nan 0.000 0.484 196 D N 0.441 120.796 120.400 -0.075 0.000 2.694 196 D HA 0.152 4.792 4.640 0.001 0.000 0.260 196 D C -1.382 174.920 176.300 0.004 0.000 1.250 196 D CA -0.300 53.678 54.000 -0.038 0.000 0.763 196 D CB 1.025 41.760 40.800 -0.107 0.000 1.311 196 D HN 0.445 nan 8.370 nan 0.000 0.420 197 Y N -0.243 120.074 120.300 0.029 0.000 2.568 197 Y HA 0.517 5.067 4.550 0.001 0.000 0.327 197 Y C 0.820 176.765 175.900 0.074 0.000 1.163 197 Y CA -0.826 57.310 58.100 0.059 0.000 1.219 197 Y CB 0.372 38.918 38.460 0.142 0.000 1.308 197 Y HN 0.555 nan 8.280 nan 0.000 0.503 198 N N -0.615 118.196 118.700 0.186 0.000 2.735 198 N HA -0.236 4.504 4.740 0.001 0.000 0.248 198 N C 0.223 175.742 175.510 0.015 0.000 1.083 198 N CA 0.695 53.801 53.050 0.094 0.000 0.703 198 N CB -0.736 37.856 38.487 0.174 0.000 1.005 198 N HN 0.932 nan 8.380 nan 0.000 0.550 199 T N -3.357 111.224 114.554 0.045 0.000 3.118 199 T HA 0.000 4.351 4.350 0.001 0.000 0.260 199 T C 1.178 175.964 174.700 0.143 0.000 1.139 199 T CA 0.823 62.993 62.100 0.118 0.000 1.085 199 T CB 0.171 69.149 68.868 0.183 0.000 0.934 199 T HN 0.229 nan 8.240 nan 0.000 0.518 200 E N 1.322 121.535 120.200 0.021 0.000 2.318 200 E HA 0.185 4.536 4.350 0.001 0.000 0.193 200 E C 0.903 177.458 176.600 -0.076 0.000 0.998 200 E CA 0.135 56.497 56.400 -0.064 0.000 0.859 200 E CB 0.175 29.751 29.700 -0.206 0.000 0.812 200 E HN 0.671 nan 8.360 nan 0.000 0.492 201 V N -0.854 119.038 119.914 -0.037 0.000 2.667 201 V HA 0.607 4.728 4.120 0.001 0.000 0.308 201 V C 0.230 176.337 176.094 0.022 0.000 1.048 201 V CA -1.002 61.308 62.300 0.017 0.000 0.928 201 V CB 1.560 33.465 31.823 0.137 0.000 1.004 201 V HN 0.111 nan 8.190 nan 0.000 0.444 202 T N 0.828 115.383 114.554 0.003 0.000 2.899 202 T HA 0.512 4.862 4.350 0.001 0.000 0.284 202 T C -0.974 173.717 174.700 -0.015 0.000 1.004 202 T CA -0.873 61.204 62.100 -0.039 0.000 1.043 202 T CB 1.118 69.948 68.868 -0.062 0.000 1.013 202 T HN 0.761 nan 8.240 nan 0.000 0.518 203 P HA 0.060 nan 4.420 nan 0.000 0.227 203 P C 1.352 178.473 177.300 -0.298 0.000 1.161 203 P CA 0.419 63.376 63.100 -0.237 0.000 0.788 203 P CB 0.216 31.734 31.700 -0.304 0.000 0.822 204 K N 0.861 121.215 120.400 -0.078 0.000 2.052 204 K HA -0.230 4.090 4.320 0.001 0.000 0.215 204 K C 2.524 179.150 176.600 0.044 0.000 1.053 204 K CA 1.571 57.881 56.287 0.038 0.000 0.934 204 K CB -0.264 32.254 32.500 0.030 0.000 0.717 204 K HN -0.141 nan 8.250 nan 0.000 0.450 205 R N 0.760 121.275 120.500 0.025 0.000 2.096 205 R HA -0.190 4.150 4.340 0.001 0.000 0.240 205 R C 1.368 177.717 176.300 0.081 0.000 1.139 205 R CA 2.312 58.462 56.100 0.083 0.000 0.952 205 R CB -0.493 29.819 30.300 0.019 0.000 0.854 205 R HN 0.356 nan 8.270 nan 0.000 0.436 206 D N -0.426 119.951 120.400 -0.037 0.000 2.144 206 D HA -0.136 4.505 4.640 0.001 0.000 0.200 206 D C 1.953 178.320 176.300 0.110 0.000 0.978 206 D CA 0.962 54.956 54.000 -0.010 0.000 0.833 206 D CB -0.428 40.305 40.800 -0.113 0.000 0.961 206 D HN 0.396 nan 8.370 nan 0.000 0.470 207 H N 0.438 119.565 119.070 0.095 0.000 2.321 207 H HA -0.084 4.472 4.556 0.000 0.000 0.300 207 H C 2.225 177.617 175.328 0.107 0.000 1.087 207 H CA 0.573 56.667 56.048 0.077 0.000 1.319 207 H CB -0.605 29.179 29.762 0.037 0.000 1.379 207 H HN 0.122 nan 8.280 nan 0.000 0.501 208 L N 0.318 121.708 121.223 0.277 0.000 2.046 208 L HA -0.195 4.145 4.340 0.001 0.000 0.208 208 L C 2.358 179.451 176.870 0.371 0.000 1.077 208 L CA 1.507 56.501 54.840 0.257 0.000 0.747 208 L CB -0.940 41.269 42.059 0.251 0.000 0.896 208 L HN 0.114 nan 8.230 nan 0.000 0.432 209 Y N 0.610 121.071 120.300 0.268 0.000 2.165 209 Y HA -0.258 4.292 4.550 0.001 0.000 0.286 209 Y C 2.413 178.366 175.900 0.088 0.000 1.155 209 Y CA 2.130 60.323 58.100 0.155 0.000 1.164 209 Y CB -0.361 38.026 38.460 -0.121 0.000 0.978 209 Y HN 0.382 nan 8.280 nan 0.000 0.513 210 N N 0.040 118.809 118.700 0.115 0.000 2.270 210 N HA -0.133 4.607 4.740 0.001 0.000 0.181 210 N C 1.871 177.371 175.510 -0.016 0.000 1.016 210 N CA 1.174 54.222 53.050 -0.004 0.000 0.870 210 N CB -0.550 37.986 38.487 0.082 0.000 0.979 210 N HN 0.392 nan 8.380 nan 0.000 0.431 211 L N 1.649 122.896 121.223 0.040 0.000 1.994 211 L HA -0.112 4.229 4.340 0.001 0.000 0.208 211 L C 2.294 179.136 176.870 -0.046 0.000 1.071 211 L CA 1.277 56.120 54.840 0.005 0.000 0.745 211 L CB -0.809 41.266 42.059 0.026 0.000 0.892 211 L HN 0.068 nan 8.230 nan 0.000 0.431 212 V N -2.578 117.314 119.914 -0.037 0.000 2.407 212 V HA -0.291 3.829 4.120 0.001 0.000 0.248 212 V C 2.263 178.278 176.094 -0.133 0.000 1.055 212 V CA 1.900 64.141 62.300 -0.099 0.000 1.049 212 V CB -1.237 30.560 31.823 -0.044 0.000 0.662 212 V HN 0.646 nan 8.190 nan 0.000 0.455 213 Q N 0.145 119.853 119.800 -0.155 0.000 2.050 213 Q HA -0.187 4.154 4.340 0.001 0.000 0.202 213 Q C 2.232 178.156 176.000 -0.127 0.000 0.980 213 Q CA 1.947 57.642 55.803 -0.178 0.000 0.840 213 Q CB -0.305 28.277 28.738 -0.260 0.000 0.898 213 Q HN 0.668 nan 8.270 nan 0.000 0.424 214 D N 0.666 121.006 120.400 -0.101 0.000 2.117 214 D HA -0.132 4.509 4.640 0.001 0.000 0.197 214 D C 2.010 178.261 176.300 -0.081 0.000 0.987 214 D CA 0.971 54.926 54.000 -0.074 0.000 0.829 214 D CB -0.109 40.663 40.800 -0.047 0.000 0.961 214 D HN 0.208 nan 8.370 nan 0.000 0.460 215 L N 0.289 121.451 121.223 -0.101 0.000 2.056 215 L HA -0.119 4.222 4.340 0.001 0.000 0.207 215 L C 2.631 179.416 176.870 -0.141 0.000 1.078 215 L CA 0.618 55.383 54.840 -0.124 0.000 0.749 215 L CB -0.391 41.565 42.059 -0.173 0.000 0.901 215 L HN 0.029 nan 8.230 nan 0.000 0.433 216 L N -0.294 120.837 121.223 -0.153 0.000 2.131 216 L HA -0.187 4.153 4.340 0.001 0.000 0.210 216 L C 2.848 179.654 176.870 -0.106 0.000 1.092 216 L CA 0.990 55.744 54.840 -0.144 0.000 0.759 216 L CB -0.641 41.334 42.059 -0.141 0.000 0.903 216 L HN 0.249 nan 8.230 nan 0.000 0.435 217 A N -0.427 122.337 122.820 -0.094 0.000 1.933 217 A HA -0.199 4.121 4.320 0.001 0.000 0.218 217 A C 1.698 179.245 177.584 -0.062 0.000 1.175 217 A CA 1.731 53.724 52.037 -0.072 0.000 0.628 217 A CB -0.344 18.617 19.000 -0.065 0.000 0.814 217 A HN 0.350 nan 8.150 nan 0.000 0.444 218 D N -1.205 119.156 120.400 -0.065 0.000 2.336 218 D HA 0.259 4.899 4.640 0.001 0.000 0.229 218 D C 1.274 177.540 176.300 -0.057 0.000 1.061 218 D CA 1.026 54.994 54.000 -0.053 0.000 0.875 218 D CB 0.049 40.821 40.800 -0.047 0.000 0.904 218 D HN 0.610 nan 8.370 nan 0.000 0.525 219 G N 0.409 109.166 108.800 -0.071 0.000 2.141 219 G HA2 -0.282 3.679 3.960 0.001 0.000 0.242 219 G HA3 -0.282 3.679 3.960 0.001 0.000 0.242 219 G C 0.416 175.264 174.900 -0.087 0.000 0.982 219 G CA 0.038 45.095 45.100 -0.072 0.000 0.662 219 G HN 0.280 nan 8.290 nan 0.000 0.527 220 V N 2.689 122.535 119.914 -0.112 0.000 2.529 220 V HA 0.312 4.432 4.120 0.001 0.000 0.292 220 V C -0.890 175.086 176.094 -0.196 0.000 1.028 220 V CA -0.380 61.836 62.300 -0.140 0.000 1.074 220 V CB 1.127 32.839 31.823 -0.185 0.000 0.958 220 V HN 0.291 nan 8.190 nan 0.000 0.481 221 P HA 0.277 nan 4.420 nan 0.000 0.252 221 P C -0.553 176.605 177.300 -0.237 0.000 1.727 221 P CA 0.165 63.180 63.100 -0.141 0.000 1.134 221 P CB -0.055 31.614 31.700 -0.050 0.000 1.876 222 I N 2.413 122.746 120.570 -0.395 0.000 2.354 222 I HA 0.229 4.399 4.170 0.001 0.000 0.292 222 I C 0.926 176.858 176.117 -0.307 0.000 0.989 222 I CA -0.411 60.580 61.300 -0.515 0.000 1.188 222 I CB 1.757 39.334 38.000 -0.705 0.000 1.342 222 I HN 0.041 nan 8.210 nan 0.000 0.457 223 D N 4.228 124.452 120.400 -0.295 0.000 2.388 223 D HA 0.213 4.853 4.640 0.001 0.000 0.208 223 D C 0.739 176.731 176.300 -0.513 0.000 1.035 223 D CA 0.467 54.272 54.000 -0.324 0.000 0.875 223 D CB 1.336 41.982 40.800 -0.258 0.000 0.984 223 D HN 0.723 nan 8.370 nan 0.000 0.508 224 G N -0.280 108.056 108.800 -0.774 0.000 2.608 224 G HA2 0.453 4.413 3.960 0.001 0.000 0.291 224 G HA3 0.453 4.413 3.960 0.001 0.000 0.291 224 G C -1.782 172.847 174.900 -0.451 0.000 1.425 224 G CA -0.441 44.171 45.100 -0.813 0.000 0.787 224 G HN -0.081 nan 8.290 nan 0.000 0.484 225 V N 0.202 120.016 119.914 -0.168 0.000 2.448 225 V HA 0.724 4.845 4.120 0.001 0.000 0.295 225 V C 0.727 176.771 176.094 -0.083 0.000 1.025 225 V CA -0.142 61.996 62.300 -0.271 0.000 0.859 225 V CB 1.537 32.854 31.823 -0.843 0.000 0.988 225 V HN 1.134 nan 8.190 nan 0.000 0.431 226 G N 3.037 111.791 108.800 -0.076 0.000 2.319 226 G HA2 0.469 4.429 3.960 0.001 0.000 0.308 226 G HA3 0.469 4.429 3.960 0.001 0.000 0.308 226 G C -0.432 174.262 174.900 -0.342 0.000 1.117 226 G CA -0.352 44.668 45.100 -0.134 0.000 0.903 226 G HN 0.740 nan 8.290 nan 0.000 0.436 227 H N 2.823 121.813 119.070 -0.135 0.000 2.641 227 H HA 0.156 4.712 4.556 0.000 0.000 0.295 227 H C 0.790 176.007 175.328 -0.184 0.000 1.070 227 H CA -0.180 55.785 56.048 -0.137 0.000 1.257 227 H CB 1.926 31.611 29.762 -0.129 0.000 1.393 227 H HN 0.671 nan 8.280 nan 0.000 0.464 228 Q N 2.782 122.518 119.800 -0.107 0.000 2.135 228 Q HA -0.084 4.257 4.340 0.001 0.000 0.204 228 Q C 1.006 176.805 176.000 -0.335 0.000 0.981 228 Q CA 1.136 56.775 55.803 -0.273 0.000 0.856 228 Q CB 0.118 28.723 28.738 -0.222 0.000 0.902 228 Q HN 0.860 nan 8.270 nan 0.000 0.425 229 A N 1.354 124.086 122.820 -0.146 0.000 2.739 229 A HA -0.174 4.146 4.320 0.001 0.000 0.296 229 A C -0.676 176.854 177.584 -0.090 0.000 1.488 229 A CA 0.455 52.434 52.037 -0.097 0.000 0.746 229 A CB -2.203 16.749 19.000 -0.080 0.000 1.047 229 A HN 0.479 nan 8.150 nan 0.000 0.477 230 H N 0.348 119.490 119.070 0.119 0.000 2.982 230 H HA 0.434 4.991 4.556 0.001 0.000 0.261 230 H C 0.915 176.345 175.328 0.169 0.000 1.603 230 H CA 0.814 56.974 56.048 0.187 0.000 1.398 230 H CB -0.289 29.608 29.762 0.224 0.000 1.693 230 H HN 0.823 nan 8.280 nan 0.000 0.535 231 I N -1.151 119.539 120.570 0.199 0.000 3.474 231 I HA 0.470 4.640 4.170 0.001 0.000 0.294 231 I C -0.032 176.201 176.117 0.194 0.000 1.185 231 I CA -1.179 60.214 61.300 0.155 0.000 1.003 231 I CB 1.555 39.549 38.000 -0.011 0.000 1.327 231 I HN 0.131 nan 8.210 nan 0.000 0.541 232 Q N -0.017 119.916 119.800 0.221 0.000 2.852 232 Q HA 0.499 4.840 4.340 0.001 0.000 0.262 232 Q C 0.662 176.710 176.000 0.080 0.000 1.051 232 Q CA -0.816 55.097 55.803 0.184 0.000 0.894 232 Q CB 2.399 31.315 28.738 0.295 0.000 1.381 232 Q HN 0.619 nan 8.270 nan 0.000 0.501 233 I N 0.203 120.807 120.570 0.056 0.000 2.500 233 I HA -0.159 4.011 4.170 0.001 0.000 0.252 233 I C 0.418 176.557 176.117 0.036 0.000 1.142 233 I CA 1.040 62.347 61.300 0.011 0.000 1.451 233 I CB 0.132 38.132 38.000 -0.000 0.000 1.093 233 I HN 0.529 nan 8.210 nan 0.000 0.430 234 D N -1.654 118.804 120.400 0.095 0.000 2.433 234 D HA 0.070 4.710 4.640 0.001 0.000 0.211 234 D C -0.486 175.933 176.300 0.198 0.000 1.114 234 D CA 0.162 54.228 54.000 0.110 0.000 0.837 234 D CB 0.592 41.453 40.800 0.101 0.000 0.984 234 D HN 0.213 nan 8.370 nan 0.000 0.505 235 W N 1.307 122.606 121.300 -0.001 0.000 3.129 235 W HA 0.411 5.072 4.660 0.000 0.000 0.333 235 W C -2.980 173.546 176.519 0.012 0.000 1.141 235 W CA -1.932 55.419 57.345 0.009 0.000 1.224 235 W CB 1.859 31.335 29.460 0.026 0.000 1.393 235 W HN -0.310 nan 8.180 nan 0.000 0.499 236 P HA 0.210 nan 4.420 nan 0.000 0.274 236 P C -0.037 177.081 177.300 -0.302 0.000 1.256 236 P CA -0.035 62.537 63.100 -0.881 0.000 0.795 236 P CB 0.745 31.898 31.700 -0.911 0.000 1.038 237 T N -1.530 112.914 114.554 -0.183 0.000 2.813 237 T HA 0.131 4.481 4.350 0.001 0.000 0.297 237 T C 1.508 176.135 174.700 -0.122 0.000 1.036 237 T CA -0.394 61.650 62.100 -0.092 0.000 1.044 237 T CB -0.039 68.804 68.868 -0.042 0.000 0.993 237 T HN 0.084 nan 8.240 nan 0.000 0.535 238 I N 0.890 121.402 120.570 -0.096 0.000 2.208 238 I HA -0.129 4.042 4.170 0.001 0.000 0.245 238 I C 2.381 178.440 176.117 -0.097 0.000 1.097 238 I CA 1.671 62.907 61.300 -0.107 0.000 1.363 238 I CB -1.310 36.639 38.000 -0.085 0.000 1.051 238 I HN 0.809 nan 8.210 nan 0.000 0.413 239 D N 0.811 121.166 120.400 -0.076 0.000 2.144 239 D HA -0.187 4.453 4.640 0.001 0.000 0.199 239 D C 2.111 178.360 176.300 -0.085 0.000 0.984 239 D CA 1.198 55.157 54.000 -0.069 0.000 0.834 239 D CB 0.119 40.888 40.800 -0.051 0.000 0.955 239 D HN 0.394 nan 8.370 nan 0.000 0.465 240 E N -0.306 119.834 120.200 -0.100 0.000 2.072 240 E HA -0.117 4.233 4.350 0.001 0.000 0.191 240 E C 2.415 178.937 176.600 -0.130 0.000 0.985 240 E CA 0.627 56.957 56.400 -0.117 0.000 0.801 240 E CB 0.006 29.620 29.700 -0.144 0.000 0.750 240 E HN 0.394 nan 8.360 nan 0.000 0.452 241 I N 0.888 121.369 120.570 -0.148 0.000 2.226 241 I HA -0.274 3.897 4.170 0.001 0.000 0.245 241 I C 2.779 178.817 176.117 -0.131 0.000 1.100 241 I CA 1.016 62.224 61.300 -0.154 0.000 1.374 241 I CB -0.277 37.628 38.000 -0.158 0.000 1.057 241 I HN 0.053 nan 8.210 nan 0.000 0.413 242 R N 0.736 121.174 120.500 -0.104 0.000 2.073 242 R HA -0.160 4.181 4.340 0.001 0.000 0.234 242 R C 2.253 178.506 176.300 -0.078 0.000 1.134 242 R CA 2.146 58.200 56.100 -0.077 0.000 0.952 242 R CB -0.363 29.900 30.300 -0.062 0.000 0.850 242 R HN 0.238 nan 8.270 nan 0.000 0.433 243 T N 0.133 114.632 114.554 -0.092 0.000 2.720 243 T HA -0.169 4.181 4.350 0.001 0.000 0.268 243 T C 1.855 176.472 174.700 -0.138 0.000 1.037 243 T CA 1.697 63.729 62.100 -0.114 0.000 1.144 243 T CB -0.360 68.434 68.868 -0.123 0.000 0.864 243 T HN 0.315 nan 8.240 nan 0.000 0.444 244 S N 0.633 116.272 115.700 -0.102 0.000 2.353 244 S HA -0.084 4.386 4.470 0.001 0.000 0.222 244 S C 2.162 176.822 174.600 0.099 0.000 1.035 244 S CA 1.301 59.487 58.200 -0.022 0.000 1.025 244 S CB -0.406 62.860 63.200 0.111 0.000 0.902 244 S HN 0.400 nan 8.310 nan 0.000 0.440 245 M N 0.660 120.277 119.600 0.030 0.000 2.159 245 M HA -0.117 4.363 4.480 0.001 0.000 0.263 245 M C 2.225 178.585 176.300 0.100 0.000 1.063 245 M CA 1.610 56.961 55.300 0.086 0.000 1.110 245 M CB -0.462 32.093 32.600 -0.074 0.000 1.374 245 M HN 0.434 nan 8.290 nan 0.000 0.411 246 E N 0.035 120.240 120.200 0.007 0.000 2.072 246 E HA -0.159 4.191 4.350 0.001 0.000 0.191 246 E C 2.005 178.588 176.600 -0.029 0.000 0.985 246 E CA 1.174 57.571 56.400 -0.004 0.000 0.801 246 E CB -0.091 29.588 29.700 -0.035 0.000 0.750 246 E HN 0.499 nan 8.360 nan 0.000 0.452 247 M N -0.050 119.460 119.600 -0.149 0.000 2.082 247 M HA -0.199 4.281 4.480 0.001 0.000 0.258 247 M C 2.009 178.252 176.300 -0.095 0.000 1.071 247 M CA 1.696 56.823 55.300 -0.289 0.000 1.103 247 M CB -0.375 31.769 32.600 -0.760 0.000 1.307 247 M HN 0.094 nan 8.290 nan 0.000 0.409 248 F N 0.101 120.142 119.950 0.151 0.000 2.216 248 F HA -0.103 4.424 4.527 0.001 0.000 0.300 248 F C 2.626 178.487 175.800 0.100 0.000 1.085 248 F CA 1.218 59.319 58.000 0.170 0.000 1.326 248 F CB -1.177 37.916 39.000 0.155 0.000 1.027 248 F HN 0.137 nan 8.300 nan 0.000 0.497 249 A N 0.201 123.158 122.820 0.229 0.000 1.972 249 A HA -0.034 4.287 4.320 0.001 0.000 0.219 249 A C 2.525 180.166 177.584 0.095 0.000 1.169 249 A CA 1.589 53.710 52.037 0.140 0.000 0.635 249 A CB -1.513 17.549 19.000 0.104 0.000 0.810 249 A HN 0.388 nan 8.150 nan 0.000 0.446 250 G N -0.826 108.025 108.800 0.086 0.000 2.598 250 G HA2 0.076 4.036 3.960 0.001 0.000 0.215 250 G HA3 0.076 4.036 3.960 0.001 0.000 0.215 250 G C 1.193 176.132 174.900 0.064 0.000 1.131 250 G CA 0.592 45.730 45.100 0.063 0.000 0.785 250 G HN 0.453 nan 8.290 nan 0.000 0.539 251 L N -0.203 121.073 121.223 0.087 0.000 2.607 251 L HA 0.285 4.625 4.340 0.001 0.000 0.228 251 L C 1.919 178.803 176.870 0.023 0.000 1.123 251 L CA 0.428 55.294 54.840 0.044 0.000 0.890 251 L CB 0.230 42.321 42.059 0.053 0.000 1.103 251 L HN 0.315 nan 8.230 nan 0.000 0.468 252 G N 0.585 109.408 108.800 0.038 0.000 2.157 252 G HA2 -0.252 3.708 3.960 0.001 0.000 0.248 252 G HA3 -0.252 3.708 3.960 0.001 0.000 0.248 252 G C 0.106 175.010 174.900 0.007 0.000 0.979 252 G CA -0.217 44.893 45.100 0.016 0.000 0.650 252 G HN 0.204 nan 8.290 nan 0.000 0.529 253 L N 0.554 121.797 121.223 0.032 0.000 2.379 253 L HA 0.589 4.930 4.340 0.001 0.000 0.269 253 L C 0.588 177.472 176.870 0.024 0.000 1.084 253 L CA -0.921 53.914 54.840 -0.008 0.000 0.802 253 L CB 0.998 43.062 42.059 0.009 0.000 1.175 253 L HN 0.176 nan 8.230 nan 0.000 0.448 254 D N 1.156 121.531 120.400 -0.040 0.000 2.348 254 D HA 0.214 4.855 4.640 0.001 0.000 0.249 254 D C -0.798 175.591 176.300 0.147 0.000 1.110 254 D CA -0.178 53.857 54.000 0.058 0.000 0.967 254 D CB 0.815 41.659 40.800 0.073 0.000 1.139 254 D HN 0.347 nan 8.370 nan 0.000 0.466 255 N N 1.661 120.493 118.700 0.221 0.000 2.269 255 N HA 0.329 5.069 4.740 0.001 0.000 0.304 255 N C -1.070 174.564 175.510 0.208 0.000 1.072 255 N CA -0.514 52.696 53.050 0.265 0.000 0.802 255 N CB 1.948 40.557 38.487 0.203 0.000 1.348 255 N HN 0.440 nan 8.380 nan 0.000 0.484 256 Q N 0.730 120.629 119.800 0.165 0.000 2.315 256 Q HA 0.382 4.722 4.340 0.001 0.000 0.273 256 Q C -1.136 174.774 176.000 -0.151 0.000 1.053 256 Q CA -0.759 54.983 55.803 -0.102 0.000 0.817 256 Q CB 2.981 31.524 28.738 -0.324 0.000 1.326 256 Q HN 0.255 nan 8.270 nan 0.000 0.423 257 V N 2.449 122.160 119.914 -0.339 0.000 2.385 257 V HA 0.110 4.230 4.120 0.001 0.000 0.269 257 V C 1.133 177.047 176.094 -0.299 0.000 1.043 257 V CA 0.393 62.482 62.300 -0.352 0.000 0.906 257 V CB 0.851 32.284 31.823 -0.650 0.000 0.995 257 V HN 1.038 nan 8.190 nan 0.000 0.467 258 T N 0.768 115.186 114.554 -0.228 0.000 3.039 258 T HA 0.177 4.528 4.350 0.001 0.000 0.250 258 T C 0.633 175.268 174.700 -0.109 0.000 1.052 258 T CA 0.142 62.124 62.100 -0.197 0.000 1.125 258 T CB 0.180 68.911 68.868 -0.228 0.000 0.908 258 T HN 0.632 nan 8.240 nan 0.000 0.473 259 E N 1.115 121.195 120.200 -0.200 0.000 4.017 259 E HA 0.339 4.689 4.350 0.001 0.000 0.205 259 E C -1.054 175.484 176.600 -0.104 0.000 1.054 259 E CA -0.502 55.818 56.400 -0.132 0.000 1.398 259 E CB 0.721 29.940 29.700 -0.801 0.000 1.164 259 E HN 0.233 nan 8.360 nan 0.000 0.445 260 L N 2.891 124.148 121.223 0.058 0.000 2.499 260 L HA 0.091 4.432 4.340 0.001 0.000 0.273 260 L C -0.759 176.445 176.870 0.556 0.000 1.195 260 L CA 0.708 55.660 54.840 0.185 0.000 0.882 260 L CB 0.124 42.240 42.059 0.096 0.000 1.133 260 L HN 0.165 nan 8.230 nan 0.000 0.483 261 D N 3.040 123.721 120.400 0.469 0.000 2.937 261 D HA 0.299 4.939 4.640 0.001 0.000 0.215 261 D C -1.268 175.203 176.300 0.285 0.000 1.274 261 D CA -0.486 53.809 54.000 0.492 0.000 0.869 261 D CB 1.119 42.240 40.800 0.536 0.000 1.675 261 D HN 0.192 nan 8.370 nan 0.000 0.538 262 V N 1.521 121.546 119.914 0.185 0.000 2.259 262 V HA 0.410 4.530 4.120 0.001 0.000 0.267 262 V C 0.628 176.728 176.094 0.010 0.000 1.051 262 V CA -0.610 61.702 62.300 0.021 0.000 0.830 262 V CB 0.693 32.371 31.823 -0.242 0.000 1.080 262 V HN 0.726 nan 8.190 nan 0.000 0.467 263 S N 3.917 119.636 115.700 0.033 0.000 2.573 263 S HA 0.263 4.733 4.470 0.001 0.000 0.277 263 S C 1.018 175.542 174.600 -0.127 0.000 1.346 263 S CA -0.250 57.932 58.200 -0.030 0.000 1.034 263 S CB 0.564 63.798 63.200 0.057 0.000 0.879 263 S HN 0.619 nan 8.310 nan 0.000 0.528 264 L N 2.773 123.779 121.223 -0.361 0.000 2.567 264 L HA 0.213 4.554 4.340 0.001 0.000 0.225 264 L C -0.386 176.211 176.870 -0.455 0.000 1.119 264 L CA 0.027 54.587 54.840 -0.467 0.000 0.871 264 L CB -0.212 41.442 42.059 -0.676 0.000 1.036 264 L HN 0.604 nan 8.230 nan 0.000 0.459 265 Y N -0.659 119.649 120.300 0.013 0.000 2.699 265 Y HA 0.691 5.241 4.550 0.000 0.000 0.326 265 Y C 0.966 176.868 175.900 0.003 0.000 1.141 265 Y CA -1.133 56.955 58.100 -0.020 0.000 1.246 265 Y CB 0.127 38.547 38.460 -0.066 0.000 1.426 265 Y HN -0.202 nan 8.280 nan 0.000 0.559 266 G N -1.055 107.841 108.800 0.160 0.000 2.857 266 G HA2 0.317 4.278 3.960 0.001 0.000 0.217 266 G HA3 0.317 4.278 3.960 0.001 0.000 0.217 266 G C -1.837 173.120 174.900 0.094 0.000 1.357 266 G CA -0.612 44.539 45.100 0.085 0.000 1.033 266 G HN 0.594 nan 8.290 nan 0.000 0.571 267 W N 1.043 122.238 121.300 -0.175 0.000 2.781 267 W HA 0.510 5.171 4.660 0.001 0.000 0.333 267 W C -2.361 174.025 176.519 -0.222 0.000 1.047 267 W CA -1.537 55.669 57.345 -0.232 0.000 1.236 267 W CB 1.387 30.703 29.460 -0.240 0.000 1.394 267 W HN 0.324 nan 8.180 nan 0.000 0.466 268 P HA 0.171 nan 4.420 nan 0.000 0.271 268 P C -2.400 174.394 177.300 -0.843 0.000 1.233 268 P CA -0.734 61.345 63.100 -1.701 0.000 0.789 268 P CB 0.199 31.050 31.700 -1.416 0.000 0.951 269 P HA 0.186 nan 4.420 nan 0.000 0.230 269 P C -0.487 176.499 177.300 -0.523 0.000 1.791 269 P CA 0.377 63.221 63.100 -0.428 0.000 1.020 269 P CB -0.279 31.257 31.700 -0.273 0.000 1.977 270 R N 2.527 122.770 120.500 -0.429 0.000 2.564 270 R HA 0.636 4.977 4.340 0.001 0.000 0.284 270 R C -2.863 173.257 176.300 -0.301 0.000 1.031 270 R CA -1.366 54.513 56.100 -0.368 0.000 0.904 270 R CB -0.118 30.028 30.300 -0.257 0.000 1.199 270 R HN 0.254 nan 8.270 nan 0.000 0.443 271 P HA 0.666 nan 4.420 nan 0.000 0.290 271 P C -0.870 176.055 177.300 -0.626 0.000 1.276 271 P CA -0.280 62.587 63.100 -0.389 0.000 0.808 271 P CB 1.937 33.455 31.700 -0.304 0.000 0.966 272 A N 3.328 125.725 122.820 -0.705 0.000 2.305 272 A HA 0.578 4.898 4.320 0.001 0.000 0.322 272 A C -0.179 177.143 177.584 -0.437 0.000 1.187 272 A CA -0.741 50.699 52.037 -0.994 0.000 0.825 272 A CB 0.089 18.444 19.000 -1.075 0.000 1.164 272 A HN 0.443 nan 8.150 nan 0.000 0.498 273 F N 2.853 122.806 119.950 0.005 0.000 2.602 273 F HA 0.158 4.686 4.527 0.000 0.000 0.367 273 F C -0.689 175.129 175.800 0.031 0.000 1.126 273 F CA -0.733 57.291 58.000 0.041 0.000 1.321 273 F CB 0.392 39.436 39.000 0.075 0.000 1.094 273 F HN 0.509 nan 8.300 nan 0.000 0.594 274 P HA -0.051 nan 4.420 nan 0.000 0.221 274 P C 0.194 177.580 177.300 0.142 0.000 1.150 274 P CA 1.257 64.424 63.100 0.113 0.000 0.800 274 P CB 0.167 31.913 31.700 0.076 0.000 0.787 275 T N -6.056 108.605 114.554 0.178 0.000 2.841 275 T HA 0.280 4.630 4.350 0.001 0.000 0.296 275 T C 0.335 175.157 174.700 0.204 0.000 1.166 275 T CA -0.663 61.545 62.100 0.180 0.000 1.007 275 T CB 0.860 69.814 68.868 0.144 0.000 1.253 275 T HN -0.230 nan 8.240 nan 0.000 0.511 276 Y N 0.736 121.099 120.300 0.104 0.000 2.200 276 Y HA -0.018 4.532 4.550 0.000 0.000 0.290 276 Y C 2.025 177.979 175.900 0.090 0.000 1.137 276 Y CA 1.961 60.127 58.100 0.111 0.000 1.163 276 Y CB -0.185 38.337 38.460 0.104 0.000 0.988 276 Y HN 0.691 nan 8.280 nan 0.000 0.518 277 D N -0.463 120.059 120.400 0.203 0.000 2.350 277 D HA -0.059 4.581 4.640 0.001 0.000 0.216 277 D C 1.788 178.097 176.300 0.015 0.000 0.968 277 D CA 0.986 55.054 54.000 0.113 0.000 0.894 277 D CB -0.099 40.770 40.800 0.114 0.000 0.909 277 D HN 0.452 nan 8.370 nan 0.000 0.520 278 A N 0.248 123.063 122.820 -0.009 0.000 2.178 278 A HA 0.105 4.425 4.320 0.001 0.000 0.211 278 A C 1.162 178.523 177.584 -0.371 0.000 1.157 278 A CA -0.189 51.822 52.037 -0.044 0.000 0.780 278 A CB -0.039 19.033 19.000 0.120 0.000 0.828 278 A HN 0.108 nan 8.150 nan 0.000 0.476 279 I N 2.898 123.135 120.570 -0.555 0.000 2.452 279 I HA 0.149 4.320 4.170 0.001 0.000 0.287 279 I C -1.975 173.707 176.117 -0.724 0.000 1.079 279 I CA -1.756 58.894 61.300 -1.082 0.000 1.387 279 I CB 0.953 38.366 38.000 -0.978 0.000 1.404 279 I HN 0.157 nan 8.210 nan 0.000 0.522 280 P HA 0.059 nan 4.420 nan 0.000 0.275 280 P C 0.015 177.140 177.300 -0.292 0.000 1.228 280 P CA -0.409 62.480 63.100 -0.352 0.000 0.786 280 P CB 1.022 32.577 31.700 -0.242 0.000 0.927 281 Q N 1.322 121.094 119.800 -0.046 0.000 2.173 281 Q HA -0.224 4.116 4.340 0.001 0.000 0.208 281 Q C 1.757 177.767 176.000 0.017 0.000 0.989 281 Q CA 1.601 57.470 55.803 0.110 0.000 0.872 281 Q CB -0.453 28.348 28.738 0.105 0.000 0.909 281 Q HN 0.620 nan 8.270 nan 0.000 0.420 282 E N 0.688 120.857 120.200 -0.053 0.000 2.097 282 E HA -0.227 4.123 4.350 0.001 0.000 0.196 282 E C 1.776 178.321 176.600 -0.092 0.000 1.000 282 E CA 0.985 57.359 56.400 -0.043 0.000 0.804 282 E CB 0.139 29.819 29.700 -0.034 0.000 0.740 282 E HN 0.182 nan 8.360 nan 0.000 0.454 283 R N -0.319 120.032 120.500 -0.247 0.000 2.073 283 R HA -0.133 4.207 4.340 0.001 0.000 0.234 283 R C 2.409 178.544 176.300 -0.274 0.000 1.134 283 R CA 1.190 57.087 56.100 -0.338 0.000 0.952 283 R CB -0.999 28.932 30.300 -0.615 0.000 0.850 283 R HN 0.276 nan 8.270 nan 0.000 0.433 284 F N 1.460 121.368 119.950 -0.071 0.000 2.234 284 F HA -0.096 4.431 4.527 0.000 0.000 0.299 284 F C 2.568 178.381 175.800 0.022 0.000 1.087 284 F CA 0.882 58.867 58.000 -0.025 0.000 1.340 284 F CB -0.420 38.560 39.000 -0.033 0.000 1.031 284 F HN -0.043 nan 8.300 nan 0.000 0.500 285 Q N 0.078 119.979 119.800 0.169 0.000 2.096 285 Q HA 0.021 4.361 4.340 0.001 0.000 0.197 285 Q C 2.596 178.652 176.000 0.093 0.000 0.964 285 Q CA 1.296 57.174 55.803 0.125 0.000 0.838 285 Q CB -0.988 27.802 28.738 0.087 0.000 0.906 285 Q HN 0.381 nan 8.270 nan 0.000 0.444 286 A N 1.156 124.007 122.820 0.052 0.000 1.902 286 A HA -0.252 4.068 4.320 0.001 0.000 0.217 286 A C 2.098 179.712 177.584 0.051 0.000 1.181 286 A CA 1.817 53.875 52.037 0.035 0.000 0.623 286 A CB -0.639 18.363 19.000 0.003 0.000 0.818 286 A HN 0.436 nan 8.150 nan 0.000 0.443 287 Q N -0.577 119.263 119.800 0.067 0.000 2.124 287 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 287 Q C 2.120 178.245 176.000 0.208 0.000 0.977 287 Q CA 1.530 57.396 55.803 0.105 0.000 0.850 287 Q CB -0.326 28.508 28.738 0.160 0.000 0.901 287 Q HN 0.617 nan 8.270 nan 0.000 0.429 288 A N 0.968 123.914 122.820 0.211 0.000 1.898 288 A HA -0.196 4.124 4.320 0.001 0.000 0.216 288 A C 1.730 179.422 177.584 0.180 0.000 1.181 288 A CA 1.637 53.807 52.037 0.222 0.000 0.620 288 A CB -0.527 18.579 19.000 0.177 0.000 0.819 288 A HN 0.451 nan 8.150 nan 0.000 0.442 289 D N -0.644 119.829 120.400 0.122 0.000 2.117 289 D HA -0.156 4.485 4.640 0.001 0.000 0.197 289 D C 2.128 178.478 176.300 0.083 0.000 0.987 289 D CA 1.564 55.618 54.000 0.090 0.000 0.829 289 D CB -0.228 40.608 40.800 0.061 0.000 0.961 289 D HN 0.360 nan 8.370 nan 0.000 0.460 290 R N 0.363 120.899 120.500 0.060 0.000 2.080 290 R HA -0.194 4.146 4.340 0.001 0.000 0.236 290 R C 2.177 178.495 176.300 0.029 0.000 1.137 290 R CA 1.390 57.489 56.100 -0.002 0.000 0.943 290 R CB -1.215 29.041 30.300 -0.072 0.000 0.846 290 R HN 0.171 nan 8.270 nan 0.000 0.431 291 Y N 0.748 121.110 120.300 0.104 0.000 2.207 291 Y HA -0.177 4.373 4.550 0.000 0.000 0.287 291 Y C 2.265 178.267 175.900 0.171 0.000 1.156 291 Y CA 1.986 60.190 58.100 0.173 0.000 1.182 291 Y CB -0.805 37.742 38.460 0.145 0.000 0.979 291 Y HN 0.350 nan 8.280 nan 0.000 0.521 292 N N 0.057 118.915 118.700 0.263 0.000 2.043 292 N HA -0.215 4.525 4.740 0.001 0.000 0.193 292 N C 1.686 177.285 175.510 0.148 0.000 1.037 292 N CA 2.044 55.205 53.050 0.186 0.000 0.851 292 N CB -0.275 38.286 38.487 0.123 0.000 1.027 292 N HN 0.396 nan 8.380 nan 0.000 0.422 293 Q N -0.844 119.005 119.800 0.081 0.000 2.124 293 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 293 Q C 1.863 177.819 176.000 -0.073 0.000 0.977 293 Q CA 0.923 56.732 55.803 0.010 0.000 0.850 293 Q CB -0.115 28.614 28.738 -0.014 0.000 0.901 293 Q HN 0.319 nan 8.270 nan 0.000 0.429 294 L N -0.619 120.548 121.223 -0.094 0.000 1.994 294 L HA -0.144 4.196 4.340 0.001 0.000 0.208 294 L C 1.850 178.302 176.870 -0.697 0.000 1.071 294 L CA 1.775 56.375 54.840 -0.401 0.000 0.745 294 L CB -0.537 41.377 42.059 -0.242 0.000 0.892 294 L HN 0.145 nan 8.230 nan 0.000 0.431 295 F N -0.340 119.454 119.950 -0.260 0.000 2.502 295 F HA -0.068 4.460 4.527 0.001 0.000 0.298 295 F C 2.369 178.224 175.800 0.092 0.000 1.111 295 F CA 0.641 58.611 58.000 -0.050 0.000 1.445 295 F CB -0.329 38.778 39.000 0.178 0.000 1.081 295 F HN 0.223 nan 8.300 nan 0.000 0.558 296 E N -0.227 120.065 120.200 0.153 0.000 2.107 296 E HA -0.176 4.175 4.350 0.001 0.000 0.191 296 E C 2.132 178.778 176.600 0.077 0.000 0.982 296 E CA 0.800 57.285 56.400 0.142 0.000 0.809 296 E CB -0.286 29.468 29.700 0.091 0.000 0.756 296 E HN 0.288 nan 8.360 nan 0.000 0.459 297 L N 0.590 121.781 121.223 -0.054 0.000 2.017 297 L HA -0.192 4.148 4.340 0.001 0.000 0.208 297 L C 2.064 178.969 176.870 0.057 0.000 1.073 297 L CA 1.696 56.500 54.840 -0.060 0.000 0.745 297 L CB -0.642 41.307 42.059 -0.182 0.000 0.894 297 L HN 0.054 nan 8.230 nan 0.000 0.432 298 Y N 0.579 120.854 120.300 -0.043 0.000 2.114 298 Y HA -0.262 4.288 4.550 0.000 0.000 0.282 298 Y C 2.738 178.818 175.900 0.299 0.000 1.165 298 Y CA 1.599 59.673 58.100 -0.044 0.000 1.148 298 Y CB -1.045 37.179 38.460 -0.394 0.000 0.972 298 Y HN 0.400 nan 8.280 nan 0.000 0.504 299 E N -0.115 120.382 120.200 0.496 0.000 2.077 299 E HA -0.237 4.113 4.350 0.001 0.000 0.193 299 E C 2.265 179.002 176.600 0.228 0.000 0.989 299 E CA 1.095 57.719 56.400 0.373 0.000 0.800 299 E CB -0.121 29.770 29.700 0.317 0.000 0.746 299 E HN 0.579 nan 8.360 nan 0.000 0.452 300 E N 0.574 120.879 120.200 0.175 0.000 2.085 300 E HA -0.206 4.144 4.350 0.001 0.000 0.194 300 E C 1.480 178.147 176.600 0.112 0.000 0.994 300 E CA 0.979 57.446 56.400 0.111 0.000 0.801 300 E CB 0.010 29.754 29.700 0.073 0.000 0.743 300 E HN 0.259 nan 8.360 nan 0.000 0.453 301 L N 1.691 122.998 121.223 0.141 0.000 2.653 301 L HA 0.059 4.399 4.340 0.001 0.000 0.231 301 L C 1.131 178.097 176.870 0.160 0.000 1.153 301 L CA 0.001 54.914 54.840 0.121 0.000 0.933 301 L CB 0.072 42.185 42.059 0.091 0.000 1.175 301 L HN 0.141 nan 8.230 nan 0.000 0.473 302 D N 0.712 121.244 120.400 0.220 0.000 2.389 302 D HA -0.195 4.446 4.640 0.001 0.000 0.221 302 D C 1.779 178.181 176.300 0.171 0.000 0.974 302 D CA 1.090 55.249 54.000 0.266 0.000 0.923 302 D CB 0.212 41.145 40.800 0.222 0.000 0.892 302 D HN 0.255 nan 8.370 nan 0.000 0.518 303 A N 0.253 123.146 122.820 0.120 0.000 2.067 303 A HA -0.048 4.272 4.320 0.001 0.000 0.217 303 A C 1.341 178.982 177.584 0.095 0.000 1.156 303 A CA 0.910 53.003 52.037 0.092 0.000 0.683 303 A CB 0.136 19.178 19.000 0.070 0.000 0.808 303 A HN 0.135 nan 8.150 nan 0.000 0.455 304 D N -0.907 119.554 120.400 0.102 0.000 2.571 304 D HA 0.259 4.899 4.640 0.001 0.000 0.239 304 D C -0.676 175.684 176.300 0.100 0.000 1.267 304 D CA 0.117 54.175 54.000 0.097 0.000 0.823 304 D CB 0.744 41.597 40.800 0.088 0.000 1.056 304 D HN 0.246 nan 8.370 nan 0.000 0.494 305 L N 1.817 123.107 121.223 0.112 0.000 2.406 305 L HA 0.135 4.475 4.340 0.001 0.000 0.270 305 L C 0.969 177.925 176.870 0.142 0.000 0.982 305 L CA -0.107 54.768 54.840 0.058 0.000 0.843 305 L CB 1.844 43.886 42.059 -0.029 0.000 1.225 305 L HN -0.161 nan 8.230 nan 0.000 0.412 306 S N 1.167 116.933 115.700 0.110 0.000 2.503 306 S HA 0.152 4.623 4.470 0.001 0.000 0.215 306 S C 0.475 175.151 174.600 0.127 0.000 1.003 306 S CA -0.134 58.158 58.200 0.153 0.000 0.910 306 S CB 0.452 63.745 63.200 0.155 0.000 0.790 306 S HN 0.484 nan 8.310 nan 0.000 0.514 307 S N -0.122 115.560 115.700 -0.030 0.000 2.542 307 S HA 0.584 5.054 4.470 0.001 0.000 0.276 307 S C -1.888 172.494 174.600 -0.363 0.000 1.148 307 S CA -0.536 57.605 58.200 -0.099 0.000 0.886 307 S CB 1.762 64.910 63.200 -0.085 0.000 1.109 307 S HN 0.222 nan 8.310 nan 0.000 0.458 308 V N 4.089 123.765 119.914 -0.397 0.000 2.380 308 V HA 0.520 4.640 4.120 0.001 0.000 0.286 308 V C -0.279 175.609 176.094 -0.344 0.000 1.015 308 V CA -0.444 61.495 62.300 -0.602 0.000 0.834 308 V CB 1.457 32.671 31.823 -1.015 0.000 1.009 308 V HN 0.912 nan 8.190 nan 0.000 0.428 309 T N 5.386 119.770 114.554 -0.284 0.000 2.823 309 T HA 0.664 5.014 4.350 0.001 0.000 0.279 309 T C -0.504 174.163 174.700 -0.054 0.000 0.998 309 T CA -0.174 61.867 62.100 -0.099 0.000 0.994 309 T CB 0.922 69.773 68.868 -0.029 0.000 0.960 309 T HN 0.243 nan 8.240 nan 0.000 0.448 310 F N 1.258 121.341 119.950 0.221 0.000 2.379 310 F HA 0.300 4.828 4.527 0.001 0.000 0.332 310 F C 0.702 176.687 175.800 0.309 0.000 1.096 310 F CA -0.961 57.235 58.000 0.327 0.000 1.105 310 F CB 0.920 40.100 39.000 0.300 0.000 1.189 310 F HN 0.604 nan 8.300 nan 0.000 0.515 311 W N 4.534 126.123 121.300 0.482 0.000 2.136 311 W HA 0.451 5.111 4.660 0.001 0.000 0.436 311 W C -0.006 176.766 176.519 0.422 0.000 0.624 311 W CA 0.194 57.737 57.345 0.330 0.000 2.276 311 W CB -0.268 29.396 29.460 0.340 0.000 1.277 311 W HN 0.655 nan 8.180 nan 0.000 0.595 312 G N 0.307 109.060 108.800 -0.079 0.000 2.356 312 G HA2 0.019 3.979 3.960 0.001 0.000 0.300 312 G HA3 0.019 3.979 3.960 0.001 0.000 0.300 312 G C -0.447 173.967 174.900 -0.811 0.000 1.331 312 G CA -0.706 44.166 45.100 -0.380 0.000 0.905 312 G HN 0.091 nan 8.290 nan 0.000 0.587 313 I N 0.393 120.559 120.570 -0.673 0.000 3.578 313 I HA 0.559 4.729 4.170 0.001 0.000 0.238 313 I C 1.400 177.337 176.117 -0.300 0.000 1.080 313 I CA 0.610 61.649 61.300 -0.435 0.000 1.538 313 I CB 0.002 37.866 38.000 -0.226 0.000 1.477 313 I HN 0.751 nan 8.210 nan 0.000 0.464 314 A N 0.263 123.080 122.820 -0.004 0.000 2.350 314 A HA 0.349 4.669 4.320 0.001 0.000 0.318 314 A C -0.202 177.632 177.584 0.416 0.000 1.132 314 A CA -0.431 51.747 52.037 0.234 0.000 0.811 314 A CB 0.769 19.867 19.000 0.163 0.000 1.313 314 A HN 0.271 nan 8.150 nan 0.000 0.454 315 D N 0.318 120.958 120.400 0.400 0.000 2.389 315 D HA -0.157 4.483 4.640 0.001 0.000 0.221 315 D C 1.447 177.845 176.300 0.163 0.000 0.974 315 D CA 1.699 55.895 54.000 0.327 0.000 0.923 315 D CB -0.281 40.651 40.800 0.220 0.000 0.892 315 D HN 0.783 nan 8.370 nan 0.000 0.518 316 N N -0.963 117.781 118.700 0.073 0.000 2.457 316 N HA -0.152 4.588 4.740 0.001 0.000 0.180 316 N C 0.496 176.129 175.510 0.205 0.000 1.050 316 N CA 0.277 53.354 53.050 0.046 0.000 0.906 316 N CB 0.033 38.483 38.487 -0.063 0.000 0.968 316 N HN 0.155 nan 8.380 nan 0.000 0.445 317 H N -0.302 118.886 119.070 0.196 0.000 3.092 317 H HA 0.328 4.884 4.556 0.000 0.000 0.308 317 H C -1.721 173.830 175.328 0.371 0.000 1.047 317 H CA -0.582 55.606 56.048 0.234 0.000 1.466 317 H CB 1.489 31.356 29.762 0.175 0.000 1.597 317 H HN 0.014 nan 8.280 nan 0.000 0.512 318 T N 5.145 119.852 114.554 0.255 0.000 3.193 318 T HA 0.039 4.389 4.350 0.001 0.000 0.332 318 T C 0.414 175.317 174.700 0.338 0.000 1.208 318 T CA -0.636 61.726 62.100 0.436 0.000 1.080 318 T CB 0.328 69.424 68.868 0.380 0.000 1.180 318 T HN 0.725 nan 8.240 nan 0.000 0.469 319 W N 5.772 127.207 121.300 0.226 0.000 2.538 319 W HA 0.033 4.693 4.660 0.000 0.000 0.254 319 W C 0.722 177.344 176.519 0.172 0.000 1.249 319 W CA 0.279 57.741 57.345 0.195 0.000 1.253 319 W CB -1.187 28.448 29.460 0.293 0.000 1.130 319 W HN 0.639 nan 8.180 nan 0.000 0.618 320 L N 0.939 121.982 121.223 -0.300 0.000 2.275 320 L HA -0.167 4.174 4.340 0.001 0.000 0.215 320 L C 2.133 178.936 176.870 -0.112 0.000 1.119 320 L CA 1.335 55.933 54.840 -0.404 0.000 0.790 320 L CB -0.656 41.289 42.059 -0.190 0.000 0.919 320 L HN -0.172 nan 8.230 nan 0.000 0.443 321 D N -0.047 120.358 120.400 0.009 0.000 2.149 321 D HA -0.153 4.487 4.640 0.001 0.000 0.201 321 D C 1.744 178.068 176.300 0.041 0.000 0.972 321 D CA 0.936 54.972 54.000 0.061 0.000 0.835 321 D CB -0.056 40.798 40.800 0.091 0.000 0.966 321 D HN 0.252 nan 8.370 nan 0.000 0.476 322 D N 0.698 121.124 120.400 0.043 0.000 2.104 322 D HA -0.127 4.513 4.640 0.001 0.000 0.194 322 D C 2.189 178.519 176.300 0.050 0.000 0.994 322 D CA 0.830 54.870 54.000 0.066 0.000 0.830 322 D CB -0.093 40.783 40.800 0.127 0.000 0.959 322 D HN 0.174 nan 8.370 nan 0.000 0.452 323 R N 0.830 121.322 120.500 -0.013 0.000 2.073 323 R HA -0.022 4.318 4.340 0.001 0.000 0.234 323 R C 2.421 178.751 176.300 0.051 0.000 1.134 323 R CA 1.310 57.429 56.100 0.031 0.000 0.952 323 R CB -0.399 29.833 30.300 -0.112 0.000 0.850 323 R HN 0.102 nan 8.270 nan 0.000 0.433 324 A N 1.310 124.122 122.820 -0.012 0.000 1.873 324 A HA -0.227 4.093 4.320 0.001 0.000 0.218 324 A C 2.101 179.668 177.584 -0.028 0.000 1.193 324 A CA 1.608 53.614 52.037 -0.051 0.000 0.629 324 A CB -0.481 18.525 19.000 0.010 0.000 0.826 324 A HN 0.230 nan 8.150 nan 0.000 0.447 325 R N -0.895 119.610 120.500 0.009 0.000 2.073 325 R HA -0.167 4.173 4.340 0.001 0.000 0.234 325 R C 2.346 178.643 176.300 -0.004 0.000 1.134 325 R CA 1.471 57.572 56.100 0.002 0.000 0.952 325 R CB -0.451 29.860 30.300 0.018 0.000 0.850 325 R HN 0.809 nan 8.270 nan 0.000 0.433 326 E N 0.107 120.325 120.200 0.031 0.000 2.147 326 E HA -0.226 4.124 4.350 0.001 0.000 0.199 326 E C 0.563 177.062 176.600 -0.168 0.000 1.005 326 E CA 1.438 57.819 56.400 -0.030 0.000 0.810 326 E CB 0.044 29.779 29.700 0.059 0.000 0.736 326 E HN 0.405 nan 8.360 nan 0.000 0.460 327 Y N -0.651 119.547 120.300 -0.171 0.000 2.555 327 Y HA 0.292 4.843 4.550 0.001 0.000 0.259 327 Y C 0.345 176.115 175.900 -0.217 0.000 1.179 327 Y CA -0.147 57.819 58.100 -0.224 0.000 1.230 327 Y CB 0.748 39.004 38.460 -0.340 0.000 1.146 327 Y HN -0.007 nan 8.280 nan 0.000 0.526 328 N N 0.723 119.383 118.700 -0.066 0.000 2.536 328 N HA 0.063 4.803 4.740 0.001 0.000 0.286 328 N C -1.273 174.188 175.510 -0.082 0.000 1.577 328 N CA 0.060 53.049 53.050 -0.103 0.000 0.883 328 N CB 0.342 38.744 38.487 -0.141 0.000 1.390 328 N HN 0.219 nan 8.380 nan 0.000 0.491 329 D N 0.537 120.887 120.400 -0.084 0.000 2.927 329 D HA -0.158 4.482 4.640 0.001 0.000 0.236 329 D C 1.182 177.454 176.300 -0.047 0.000 1.163 329 D CA 1.161 55.120 54.000 -0.069 0.000 0.801 329 D CB -1.268 39.494 40.800 -0.063 0.000 0.975 329 D HN 0.550 nan 8.370 nan 0.000 0.413 330 G N -0.956 107.819 108.800 -0.041 0.000 2.205 330 G HA2 -0.213 3.747 3.960 0.001 0.000 0.269 330 G HA3 -0.213 3.747 3.960 0.001 0.000 0.269 330 G C 0.461 175.357 174.900 -0.007 0.000 0.977 330 G CA 0.779 45.867 45.100 -0.020 0.000 0.652 330 G HN 1.498 nan 8.290 nan 0.000 0.539 331 V N -3.191 116.714 119.914 -0.016 0.000 2.588 331 V HA 1.019 5.139 4.120 0.001 0.000 0.304 331 V C 0.204 176.292 176.094 -0.009 0.000 1.042 331 V CA -0.034 62.266 62.300 -0.001 0.000 0.877 331 V CB 1.697 33.520 31.823 -0.001 0.000 0.996 331 V HN 1.913 nan 8.190 nan 0.000 0.425 332 G N 2.488 111.304 108.800 0.027 0.000 2.384 332 G HA2 0.541 4.502 3.960 0.001 0.000 0.300 332 G HA3 0.541 4.502 3.960 0.001 0.000 0.300 332 G C -1.949 173.020 174.900 0.116 0.000 1.582 332 G CA -0.807 44.315 45.100 0.037 0.000 0.875 332 G HN 1.077 nan 8.290 nan 0.000 0.628 333 K N 0.779 121.302 120.400 0.205 0.000 2.535 333 K HA 0.599 4.919 4.320 0.001 0.000 0.250 333 K C -1.443 175.365 176.600 0.346 0.000 0.948 333 K CA -0.726 55.715 56.287 0.257 0.000 0.796 333 K CB 2.205 34.868 32.500 0.271 0.000 1.216 333 K HN 0.504 nan 8.250 nan 0.000 0.432 334 D N 1.763 122.328 120.400 0.276 0.000 2.442 334 D HA 0.740 5.380 4.640 0.001 0.000 0.254 334 D C -1.213 175.178 176.300 0.152 0.000 1.069 334 D CA -0.474 53.629 54.000 0.172 0.000 1.017 334 D CB 1.951 42.825 40.800 0.122 0.000 1.172 334 D HN 0.535 nan 8.370 nan 0.000 0.561 335 A N 1.595 124.448 122.820 0.055 0.000 3.307 335 A HA 0.335 4.656 4.320 0.001 0.000 0.289 335 A C -2.244 175.367 177.584 0.044 0.000 1.138 335 A CA -0.765 51.387 52.037 0.191 0.000 0.860 335 A CB 1.134 20.360 19.000 0.377 0.000 1.318 335 A HN 0.350 nan 8.150 nan 0.000 0.551 336 P HA 0.073 nan 4.420 nan 0.000 0.236 336 P C 0.100 177.318 177.300 -0.136 0.000 1.177 336 P CA 0.640 63.591 63.100 -0.249 0.000 0.773 336 P CB 0.054 31.500 31.700 -0.423 0.000 0.878 337 F N -0.024 120.062 119.950 0.227 0.000 2.452 337 F HA 0.224 4.752 4.527 0.000 0.000 0.353 337 F C 1.954 177.639 175.800 -0.191 0.000 1.089 337 F CA -1.083 56.914 58.000 -0.005 0.000 1.080 337 F CB -0.374 38.584 39.000 -0.070 0.000 1.399 337 F HN -0.409 nan 8.300 nan 0.000 0.492 338 V N -2.176 117.508 119.914 -0.384 0.000 3.647 338 V HA 0.316 4.436 4.120 0.001 0.000 0.279 338 V C -0.591 175.067 176.094 -0.726 0.000 1.314 338 V CA 0.387 62.299 62.300 -0.647 0.000 1.125 338 V CB -1.292 29.953 31.823 -0.963 0.000 0.907 338 V HN 0.354 nan 8.190 nan 0.000 0.434 339 F N 2.317 122.219 119.950 -0.080 0.000 2.529 339 F HA 0.678 5.205 4.527 0.001 0.000 0.320 339 F C 0.121 175.902 175.800 -0.031 0.000 1.118 339 F CA -2.083 55.851 58.000 -0.110 0.000 0.915 339 F CB 1.343 40.282 39.000 -0.100 0.000 1.161 339 F HN 0.172 nan 8.300 nan 0.000 0.445 340 D N 2.876 123.320 120.400 0.072 0.000 2.414 340 D HA 0.244 4.885 4.640 0.001 0.000 0.251 340 D C -2.194 173.965 176.300 -0.236 0.000 1.252 340 D CA -2.079 51.882 54.000 -0.065 0.000 0.999 340 D CB 0.217 40.948 40.800 -0.114 0.000 1.093 340 D HN 0.169 nan 8.370 nan 0.000 0.515 341 P HA -0.090 nan 4.420 nan 0.000 0.222 341 P C 0.259 177.244 177.300 -0.526 0.000 1.142 341 P CA 1.051 63.870 63.100 -0.467 0.000 0.788 341 P CB 0.051 31.425 31.700 -0.542 0.000 0.767 342 N N -2.303 116.165 118.700 -0.387 0.000 2.235 342 N HA 0.067 4.808 4.740 0.001 0.000 0.209 342 N C -0.320 175.158 175.510 -0.055 0.000 1.122 342 N CA -0.036 52.884 53.050 -0.217 0.000 0.845 342 N CB 0.124 38.604 38.487 -0.011 0.000 1.004 342 N HN 0.107 nan 8.380 nan 0.000 0.499 343 Y N -0.632 119.702 120.300 0.058 0.000 4.729 343 Y HA -0.264 4.286 4.550 0.000 0.000 0.239 343 Y C 0.267 176.116 175.900 -0.084 0.000 1.043 343 Y CA 0.181 58.285 58.100 0.006 0.000 2.045 343 Y CB -2.435 36.075 38.460 0.083 0.000 1.599 343 Y HN 0.059 nan 8.280 nan 0.000 0.655 344 R N 0.726 121.224 120.500 -0.003 0.000 2.410 344 R HA 0.579 4.919 4.340 0.001 0.000 0.288 344 R C 0.464 176.701 176.300 -0.105 0.000 1.051 344 R CA -0.337 55.659 56.100 -0.173 0.000 1.021 344 R CB 1.367 31.510 30.300 -0.262 0.000 1.032 344 R HN 0.115 nan 8.270 nan 0.000 0.481 345 V N -0.121 119.679 119.914 -0.190 0.000 2.963 345 V HA 0.208 4.329 4.120 0.001 0.000 0.306 345 V C 0.071 176.059 176.094 -0.177 0.000 1.077 345 V CA -0.273 61.889 62.300 -0.231 0.000 1.124 345 V CB 0.502 31.928 31.823 -0.662 0.000 0.987 345 V HN 0.650 nan 8.190 nan 0.000 0.487 346 K N 3.171 123.460 120.400 -0.185 0.000 2.245 346 K HA 0.496 4.817 4.320 0.001 0.000 0.234 346 K C -2.016 174.571 176.600 -0.022 0.000 1.021 346 K CA -1.825 54.388 56.287 -0.123 0.000 0.898 346 K CB 1.343 33.766 32.500 -0.129 0.000 1.163 346 K HN 0.306 nan 8.250 nan 0.000 0.459 347 P HA -0.212 nan 4.420 nan 0.000 0.217 347 P C 0.666 178.057 177.300 0.151 0.000 1.148 347 P CA 1.310 64.539 63.100 0.215 0.000 0.828 347 P CB 0.126 31.937 31.700 0.186 0.000 0.783 348 A N -1.453 121.409 122.820 0.069 0.000 2.019 348 A HA -0.192 4.128 4.320 0.001 0.000 0.219 348 A C 2.013 179.474 177.584 -0.206 0.000 1.164 348 A CA 1.108 53.147 52.037 0.004 0.000 0.644 348 A CB -1.734 17.287 19.000 0.034 0.000 0.805 348 A HN 0.165 nan 8.150 nan 0.000 0.449 349 F N -0.641 119.056 119.950 -0.422 0.000 2.102 349 F HA -0.158 4.369 4.527 0.001 0.000 0.298 349 F C 1.934 177.496 175.800 -0.398 0.000 1.105 349 F CA 1.660 59.301 58.000 -0.599 0.000 1.239 349 F CB -0.583 37.915 39.000 -0.837 0.000 0.991 349 F HN 0.393 nan 8.300 nan 0.000 0.474 350 W N 0.588 121.790 121.300 -0.164 0.000 2.374 350 W HA -0.135 4.526 4.660 0.000 0.000 0.288 350 W C 2.207 178.597 176.519 -0.216 0.000 1.218 350 W CA 0.479 57.711 57.345 -0.189 0.000 1.245 350 W CB -0.363 29.097 29.460 0.000 0.000 1.126 350 W HN -0.212 nan 8.180 nan 0.000 0.545 351 R N 0.630 121.154 120.500 0.040 0.000 2.280 351 R HA -0.002 4.339 4.340 0.001 0.000 0.207 351 R C 1.591 177.872 176.300 -0.031 0.000 1.043 351 R CA 1.140 57.261 56.100 0.034 0.000 1.006 351 R CB -0.973 29.379 30.300 0.087 0.000 0.885 351 R HN 0.525 nan 8.270 nan 0.000 0.467 352 I N -3.961 116.487 120.570 -0.204 0.000 4.227 352 I HA 0.218 4.389 4.170 0.001 0.000 0.334 352 I C 1.371 177.367 176.117 -0.202 0.000 1.341 352 I CA 0.010 61.199 61.300 -0.185 0.000 1.123 352 I CB 0.197 37.903 38.000 -0.490 0.000 1.097 352 I HN -0.215 nan 8.210 nan 0.000 0.399 353 I N 2.456 122.767 120.570 -0.431 0.000 3.030 353 I HA 0.046 4.216 4.170 0.001 0.000 0.270 353 I C 0.954 176.960 176.117 -0.184 0.000 1.211 353 I CA 0.434 61.486 61.300 -0.412 0.000 1.479 353 I CB -0.293 37.239 38.000 -0.779 0.000 1.105 353 I HN 0.476 nan 8.210 nan 0.000 0.447 354 D N 0.000 120.340 120.400 -0.101 0.000 6.856 354 D HA 0.000 4.640 4.640 0.001 0.000 0.175 354 D CA 0.000 53.983 54.000 -0.029 0.000 0.868 354 D CB 0.000 40.812 40.800 0.019 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683