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 1dbo_1_A DATA FIRST_RESID 26 DATA SEQUENCE QVVASNETLY QVVKEVKPGG LVQIADGTYK DVQLIVSNSG KSGLPITIKA DATA SEQUENCE LNPGKVFFTG DAKVELRGEH LILEGIWFKD GNRAIQAWKS HGPGLVAIYG DATA SEQUENCE SYNRITACVF DCFDEANSAY ITTSLTEDGK VPQHCRIDHC SFTDKITFDQ DATA SEQUENCE VINLNNTARA IKDGSVGGPG MYHRVDHCFF SNPQKPGNAG GGIRIGYYRN DATA SEQUENCE DIGRCLVDSN LFMRQDSEAE IITSKSQENV YYGNTYLNCQ GTMNFRHGDH DATA SEQUENCE QVAINNFYIG NDQRFGYGGM FVWGSRHVIA CNYFELSETI KSRGNAALYL DATA SEQUENCE NPGAMASEHA LAFDMLIANN AFINVNGYAI HFNPLDERRK EYCAANRLKF DATA SEQUENCE ETPHQLMLKG NLFFKDKPYV YPFFKDDYFI AGKNSWTGNV ALGVEKGIPV DATA SEQUENCE NISANRSAYK PVKIKDIQPI EGIALDLNAL ISKGITGKPL SWDEVRPYWL DATA SEQUENCE KEMPGTYALT ARLSADRAAK FKAVIKRNKE H 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 26 Q HA 0.000 nan 4.340 nan 0.000 0.214 26 Q C 0.000 175.997 176.000 -0.006 0.000 1.003 26 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 26 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 27 V N 1.121 121.031 119.914 -0.006 0.000 2.432 27 V HA 0.679 4.794 4.120 -0.009 0.000 0.275 27 V C 0.212 176.307 176.094 0.001 0.000 1.043 27 V CA -0.572 61.724 62.300 -0.008 0.000 0.925 27 V CB 1.014 32.833 31.823 -0.007 0.000 0.985 27 V HN 0.612 nan 8.190 nan 0.000 0.466 28 V N 2.400 122.315 119.914 0.001 0.000 2.715 28 V HA 0.963 5.078 4.120 -0.009 0.000 0.310 28 V C 0.355 176.493 176.094 0.072 0.000 1.054 28 V CA -0.249 62.063 62.300 0.019 0.000 0.928 28 V CB 1.769 33.592 31.823 -0.001 0.000 1.007 28 V HN 0.879 nan 8.190 nan 0.000 0.437 29 A N 2.548 125.431 122.820 0.104 0.000 2.609 29 A HA 0.776 5.090 4.320 -0.009 0.000 0.286 29 A C 0.536 178.218 177.584 0.163 0.000 1.138 29 A CA 0.427 52.569 52.037 0.175 0.000 0.960 29 A CB -0.302 18.740 19.000 0.071 0.000 1.208 29 A HN 1.726 nan 8.150 nan 0.000 0.541 30 S N -1.703 114.110 115.700 0.188 0.000 2.596 30 S HA 0.372 4.837 4.470 -0.009 0.000 0.270 30 S C 0.085 174.698 174.600 0.022 0.000 1.155 30 S CA -0.622 57.610 58.200 0.052 0.000 0.827 30 S CB 0.676 63.848 63.200 -0.046 0.000 1.130 30 S HN 0.004 nan 8.310 nan 0.000 0.467 31 N N 1.390 120.021 118.700 -0.115 0.000 2.069 31 N HA -0.103 4.632 4.740 -0.009 0.000 0.191 31 N C 1.409 176.358 175.510 -0.936 0.000 1.031 31 N CA 1.601 54.362 53.050 -0.482 0.000 0.852 31 N CB -0.526 37.694 38.487 -0.445 0.000 1.018 31 N HN 0.675 nan 8.380 nan 0.000 0.423 32 E N 0.219 120.112 120.200 -0.512 0.000 2.085 32 E HA -0.130 4.215 4.350 -0.009 0.000 0.194 32 E C 2.016 178.523 176.600 -0.155 0.000 0.994 32 E CA 1.652 57.878 56.400 -0.290 0.000 0.801 32 E CB -0.624 29.030 29.700 -0.076 0.000 0.743 32 E HN 0.629 nan 8.360 nan 0.000 0.453 33 T N -0.419 114.067 114.554 -0.115 0.000 2.951 33 T HA -0.090 4.254 4.350 -0.009 0.000 0.268 33 T C 1.995 176.676 174.700 -0.033 0.000 1.073 33 T CA 0.791 62.867 62.100 -0.039 0.000 1.134 33 T CB -0.228 68.631 68.868 -0.016 0.000 0.884 33 T HN 0.035 nan 8.240 nan 0.000 0.479 34 L N 0.429 121.590 121.223 -0.103 0.000 2.027 34 L HA 0.083 4.418 4.340 -0.009 0.000 0.206 34 L C 2.373 179.296 176.870 0.087 0.000 1.074 34 L CA 1.488 56.297 54.840 -0.050 0.000 0.745 34 L CB -0.997 40.984 42.059 -0.130 0.000 0.898 34 L HN 0.370 nan 8.230 nan 0.000 0.433 35 Y N -0.444 119.869 120.300 0.021 0.000 2.165 35 Y HA -0.353 4.192 4.550 -0.008 0.000 0.286 35 Y C 2.843 178.757 175.900 0.023 0.000 1.155 35 Y CA 1.252 59.365 58.100 0.022 0.000 1.164 35 Y CB -0.328 38.145 38.460 0.021 0.000 0.978 35 Y HN 0.427 nan 8.280 nan 0.000 0.513 36 Q N 0.513 120.419 119.800 0.177 0.000 2.020 36 Q HA -0.164 4.171 4.340 -0.009 0.000 0.202 36 Q C 2.248 178.295 176.000 0.077 0.000 0.982 36 Q CA 2.026 57.892 55.803 0.105 0.000 0.838 36 Q CB -0.214 28.567 28.738 0.070 0.000 0.899 36 Q HN 0.320 nan 8.270 nan 0.000 0.423 37 V N 1.196 121.148 119.914 0.064 0.000 2.332 37 V HA -0.243 3.872 4.120 -0.009 0.000 0.248 37 V C 2.479 178.608 176.094 0.057 0.000 1.055 37 V CA 1.693 64.022 62.300 0.049 0.000 1.038 37 V CB -0.739 31.105 31.823 0.034 0.000 0.651 37 V HN 0.575 nan 8.190 nan 0.000 0.450 38 V N -1.623 118.338 119.914 0.078 0.000 2.626 38 V HA -0.162 3.953 4.120 -0.009 0.000 0.252 38 V C 2.101 178.237 176.094 0.070 0.000 1.067 38 V CA 1.746 64.094 62.300 0.080 0.000 1.081 38 V CB -0.927 30.959 31.823 0.105 0.000 0.686 38 V HN 0.502 nan 8.190 nan 0.000 0.468 39 K N 0.418 120.859 120.400 0.069 0.000 2.366 39 K HA 0.038 4.353 4.320 -0.009 0.000 0.198 39 K C 1.948 178.574 176.600 0.044 0.000 1.044 39 K CA 1.388 57.707 56.287 0.054 0.000 0.973 39 K CB 0.005 32.537 32.500 0.054 0.000 0.767 39 K HN 0.684 nan 8.250 nan 0.000 0.475 40 E N 0.365 120.592 120.200 0.044 0.000 2.340 40 E HA 0.023 4.367 4.350 -0.009 0.000 0.198 40 E C 0.228 176.847 176.600 0.032 0.000 0.961 40 E CA -0.156 56.265 56.400 0.034 0.000 0.905 40 E CB 0.515 30.233 29.700 0.031 0.000 0.884 40 E HN -0.070 nan 8.360 nan 0.000 0.491 41 V N 2.642 122.578 119.914 0.037 0.000 2.720 41 V HA -0.108 4.007 4.120 -0.009 0.000 0.307 41 V C -0.148 175.965 176.094 0.032 0.000 1.071 41 V CA 0.747 63.067 62.300 0.034 0.000 1.199 41 V CB 0.319 32.166 31.823 0.040 0.000 0.900 41 V HN 0.075 nan 8.190 nan 0.000 0.494 42 K N 6.166 126.581 120.400 0.025 0.000 2.168 42 K HA 0.522 4.836 4.320 -0.009 0.000 0.239 42 K C -2.580 174.032 176.600 0.020 0.000 0.999 42 K CA -1.819 54.481 56.287 0.021 0.000 0.900 42 K CB 0.868 33.375 32.500 0.013 0.000 1.111 42 K HN 0.426 nan 8.250 nan 0.000 0.452 43 P HA -0.065 nan 4.420 nan 0.000 0.264 43 P C 0.404 177.703 177.300 -0.001 0.000 1.183 43 P CA 1.057 64.161 63.100 0.007 0.000 0.763 43 P CB 0.394 32.088 31.700 -0.011 0.000 0.807 44 G N 1.701 110.502 108.800 0.001 0.000 2.199 44 G HA2 -0.188 3.767 3.960 -0.009 0.000 0.254 44 G HA3 -0.188 3.767 3.960 -0.009 0.000 0.254 44 G C 0.686 175.588 174.900 0.004 0.000 0.982 44 G CA -0.153 44.945 45.100 -0.004 0.000 0.632 44 G HN 0.897 nan 8.290 nan 0.000 0.529 45 G N -0.546 108.261 108.800 0.012 0.000 2.614 45 G HA2 0.549 4.503 3.960 -0.009 0.000 0.239 45 G HA3 0.549 4.503 3.960 -0.009 0.000 0.239 45 G C -0.410 174.498 174.900 0.014 0.000 1.240 45 G CA 0.438 45.546 45.100 0.013 0.000 0.842 45 G HN 1.243 nan 8.290 nan 0.000 0.584 46 L N 1.918 123.146 121.223 0.009 0.000 2.406 46 L HA 0.540 4.875 4.340 -0.009 0.000 0.270 46 L C -0.701 176.170 176.870 0.002 0.000 0.982 46 L CA -0.650 54.193 54.840 0.004 0.000 0.843 46 L CB 2.128 44.185 42.059 -0.004 0.000 1.225 46 L HN 0.271 nan 8.230 nan 0.000 0.412 47 V N 5.261 125.177 119.914 0.003 0.000 2.347 47 V HA 0.492 4.607 4.120 -0.009 0.000 0.280 47 V C -0.181 175.899 176.094 -0.024 0.000 1.021 47 V CA -0.436 61.863 62.300 -0.002 0.000 0.847 47 V CB 1.262 33.093 31.823 0.013 0.000 0.990 47 V HN 0.755 nan 8.190 nan 0.000 0.444 48 Q N 4.510 124.289 119.800 -0.034 0.000 2.307 48 Q HA 0.598 4.933 4.340 -0.009 0.000 0.262 48 Q C -0.838 175.118 176.000 -0.073 0.000 0.961 48 Q CA -0.435 55.333 55.803 -0.058 0.000 0.882 48 Q CB 2.683 31.392 28.738 -0.048 0.000 1.264 48 Q HN 0.657 nan 8.270 nan 0.000 0.446 49 I N 2.323 122.820 120.570 -0.122 0.000 2.325 49 I HA 0.307 4.471 4.170 -0.009 0.000 0.291 49 I C 0.399 176.462 176.117 -0.091 0.000 1.019 49 I CA -0.576 60.626 61.300 -0.164 0.000 1.302 49 I CB 1.152 38.952 38.000 -0.332 0.000 1.401 49 I HN 0.627 nan 8.210 nan 0.000 0.485 50 A N 5.755 128.585 122.820 0.018 0.000 2.466 50 A HA 0.087 4.401 4.320 -0.009 0.000 0.238 50 A C 0.000 177.653 177.584 0.114 0.000 1.074 50 A CA -0.476 51.597 52.037 0.060 0.000 0.774 50 A CB 0.039 19.090 19.000 0.084 0.000 1.015 50 A HN 0.703 nan 8.150 nan 0.000 0.498 51 D N 0.377 120.803 120.400 0.043 0.000 2.525 51 D HA 0.410 5.045 4.640 -0.009 0.000 0.235 51 D C 0.644 177.008 176.300 0.107 0.000 1.137 51 D CA 2.125 56.147 54.000 0.037 0.000 0.868 51 D CB 0.545 41.344 40.800 -0.002 0.000 1.180 51 D HN 1.061 nan 8.370 nan 0.000 0.465 52 G N 0.663 109.554 108.800 0.151 0.000 2.356 52 G HA2 0.219 4.173 3.960 -0.009 0.000 0.300 52 G HA3 0.219 4.173 3.960 -0.009 0.000 0.300 52 G C -1.223 173.770 174.900 0.156 0.000 1.331 52 G CA -0.873 44.274 45.100 0.077 0.000 0.905 52 G HN 0.368 nan 8.290 nan 0.000 0.587 53 T N 0.880 115.392 114.554 -0.071 0.000 2.758 53 T HA 0.555 4.899 4.350 -0.009 0.000 0.285 53 T C -1.205 173.336 174.700 -0.265 0.000 0.981 53 T CA 0.061 62.182 62.100 0.035 0.000 0.965 53 T CB 0.739 69.600 68.868 -0.012 0.000 0.927 53 T HN 0.368 nan 8.240 nan 0.000 0.448 54 Y N 2.680 123.053 120.300 0.122 0.000 2.841 54 Y HA 0.364 4.909 4.550 -0.009 0.000 0.329 54 Y C 0.643 176.540 175.900 -0.006 0.000 1.062 54 Y CA -0.998 57.108 58.100 0.009 0.000 1.281 54 Y CB 0.550 38.970 38.460 -0.068 0.000 1.147 54 Y HN 0.427 nan 8.280 nan 0.000 0.521 55 K N 3.058 123.477 120.400 0.031 0.000 2.276 55 K HA 0.111 4.425 4.320 -0.009 0.000 0.283 55 K C -0.202 176.436 176.600 0.063 0.000 1.044 55 K CA -0.035 56.284 56.287 0.053 0.000 0.944 55 K CB 0.427 32.932 32.500 0.010 0.000 1.012 55 K HN 0.679 nan 8.250 nan 0.000 0.472 56 D N 0.889 121.352 120.400 0.105 0.000 2.945 56 D HA -0.175 4.459 4.640 -0.009 0.000 0.225 56 D C -0.139 176.244 176.300 0.138 0.000 1.158 56 D CA 0.622 54.699 54.000 0.129 0.000 0.805 56 D CB -1.534 39.329 40.800 0.106 0.000 1.098 56 D HN 0.310 nan 8.370 nan 0.000 0.426 57 V N 0.826 120.792 119.914 0.087 0.000 2.585 57 V HA -0.013 4.102 4.120 -0.009 0.000 0.296 57 V C 0.448 176.614 176.094 0.120 0.000 1.035 57 V CA 0.717 63.049 62.300 0.053 0.000 1.084 57 V CB 1.200 32.836 31.823 -0.312 0.000 0.953 57 V HN 0.031 nan 8.190 nan 0.000 0.483 58 Q N 6.146 126.079 119.800 0.222 0.000 2.788 58 Q HA 0.291 4.625 4.340 -0.009 0.000 0.261 58 Q C -0.821 175.181 176.000 0.004 0.000 1.029 58 Q CA -0.592 55.264 55.803 0.087 0.000 0.848 58 Q CB 1.339 30.071 28.738 -0.009 0.000 1.185 58 Q HN 0.695 nan 8.270 nan 0.000 0.482 59 L N 3.416 124.706 121.223 0.112 0.000 2.342 59 L HA 0.267 4.601 4.340 -0.009 0.000 0.285 59 L C -0.823 176.112 176.870 0.108 0.000 1.095 59 L CA 0.189 55.112 54.840 0.139 0.000 0.843 59 L CB 0.247 42.417 42.059 0.185 0.000 1.201 59 L HN 0.240 nan 8.230 nan 0.000 0.445 60 I N 7.112 127.704 120.570 0.037 0.000 2.390 60 I HA 0.252 4.416 4.170 -0.009 0.000 0.283 60 I C -0.431 175.719 176.117 0.055 0.000 1.016 60 I CA -0.517 60.805 61.300 0.036 0.000 1.151 60 I CB 1.396 39.374 38.000 -0.036 0.000 1.293 60 I HN 0.165 nan 8.210 nan 0.000 0.458 61 V N 5.962 125.930 119.914 0.090 0.000 2.318 61 V HA 0.269 4.384 4.120 -0.009 0.000 0.271 61 V C 1.058 177.198 176.094 0.077 0.000 1.030 61 V CA 0.013 62.368 62.300 0.091 0.000 0.844 61 V CB 1.079 32.971 31.823 0.116 0.000 1.015 61 V HN 0.809 nan 8.190 nan 0.000 0.460 62 S N 2.853 118.587 115.700 0.056 0.000 2.497 62 S HA 0.114 4.579 4.470 -0.009 0.000 0.218 62 S C 0.956 175.590 174.600 0.056 0.000 1.023 62 S CA -0.193 58.035 58.200 0.046 0.000 0.913 62 S CB 0.067 63.280 63.200 0.021 0.000 0.800 62 S HN 0.774 nan 8.310 nan 0.000 0.505 63 N N 2.128 120.864 118.700 0.060 0.000 2.326 63 N HA 0.291 5.025 4.740 -0.009 0.000 0.239 63 N C -0.418 175.140 175.510 0.081 0.000 1.301 63 N CA 0.384 53.472 53.050 0.062 0.000 0.909 63 N CB 0.424 38.945 38.487 0.057 0.000 1.156 63 N HN 0.046 nan 8.380 nan 0.000 0.462 64 S N -1.388 114.362 115.700 0.084 0.000 2.542 64 S HA 0.727 5.192 4.470 -0.009 0.000 0.293 64 S C 0.433 175.100 174.600 0.111 0.000 1.089 64 S CA -0.903 57.365 58.200 0.114 0.000 0.961 64 S CB 1.948 65.225 63.200 0.128 0.000 1.062 64 S HN 0.622 nan 8.310 nan 0.000 0.483 65 G N 1.178 110.070 108.800 0.153 0.000 2.543 65 G HA2 0.654 4.609 3.960 -0.009 0.000 0.267 65 G HA3 0.654 4.609 3.960 -0.009 0.000 0.267 65 G C -0.944 173.992 174.900 0.060 0.000 1.406 65 G CA -0.548 44.615 45.100 0.106 0.000 1.048 65 G HN 0.554 nan 8.290 nan 0.000 0.548 66 K N -0.829 119.490 120.400 -0.135 0.000 2.480 66 K HA 0.454 4.769 4.320 -0.009 0.000 0.258 66 K C -0.575 175.559 176.600 -0.777 0.000 0.990 66 K CA -0.606 55.440 56.287 -0.402 0.000 0.857 66 K CB 2.142 34.520 32.500 -0.204 0.000 1.384 66 K HN 0.457 nan 8.250 nan 0.000 0.446 67 S N 0.219 115.322 115.700 -0.994 0.000 2.596 67 S HA 0.178 4.643 4.470 -0.009 0.000 0.298 67 S C 1.154 175.559 174.600 -0.324 0.000 1.255 67 S CA 1.672 59.461 58.200 -0.685 0.000 1.083 67 S CB -0.602 62.352 63.200 -0.411 0.000 0.837 67 S HN 0.847 nan 8.310 nan 0.000 0.499 68 G N 3.667 112.345 108.800 -0.203 0.000 2.205 68 G HA2 -0.211 3.744 3.960 -0.009 0.000 0.261 68 G HA3 -0.211 3.744 3.960 -0.009 0.000 0.261 68 G C 0.186 175.029 174.900 -0.095 0.000 0.980 68 G CA 0.432 45.464 45.100 -0.113 0.000 0.632 68 G HN 0.832 nan 8.290 nan 0.000 0.533 69 L N 1.786 122.933 121.223 -0.126 0.000 2.625 69 L HA 0.303 4.638 4.340 -0.009 0.000 0.255 69 L C -2.110 174.730 176.870 -0.049 0.000 1.493 69 L CA -1.677 53.116 54.840 -0.077 0.000 0.796 69 L CB 1.682 43.693 42.059 -0.080 0.000 1.064 69 L HN 0.018 nan 8.230 nan 0.000 0.516 70 P HA 0.146 nan 4.420 nan 0.000 0.274 70 P C -0.307 177.028 177.300 0.058 0.000 1.246 70 P CA -0.063 63.078 63.100 0.069 0.000 0.795 70 P CB 1.683 33.444 31.700 0.101 0.000 1.006 71 I N 0.938 121.558 120.570 0.083 0.000 2.321 71 I HA 0.190 4.355 4.170 -0.009 0.000 0.291 71 I C 0.435 176.593 176.117 0.068 0.000 0.998 71 I CA -0.171 61.169 61.300 0.066 0.000 1.227 71 I CB 1.189 39.234 38.000 0.075 0.000 1.368 71 I HN 0.158 nan 8.210 nan 0.000 0.466 72 T N 7.497 122.080 114.554 0.048 0.000 2.771 72 T HA 0.570 4.915 4.350 -0.009 0.000 0.281 72 T C -0.094 174.625 174.700 0.032 0.000 0.982 72 T CA -0.276 61.849 62.100 0.043 0.000 0.978 72 T CB 0.901 69.785 68.868 0.027 0.000 0.930 72 T HN 0.277 nan 8.240 nan 0.000 0.447 73 I N 4.902 125.495 120.570 0.037 0.000 2.382 73 I HA 0.465 4.630 4.170 -0.009 0.000 0.285 73 I C 0.043 176.152 176.117 -0.014 0.000 1.007 73 I CA -0.737 60.577 61.300 0.023 0.000 1.142 73 I CB 0.982 39.018 38.000 0.061 0.000 1.289 73 I HN 0.573 nan 8.210 nan 0.000 0.453 74 K N 4.758 125.124 120.400 -0.056 0.000 2.533 74 K HA 0.867 5.182 4.320 -0.009 0.000 0.272 74 K C -1.203 175.295 176.600 -0.170 0.000 0.985 74 K CA -0.970 55.252 56.287 -0.109 0.000 0.876 74 K CB 1.870 34.331 32.500 -0.065 0.000 1.452 74 K HN 0.396 nan 8.250 nan 0.000 0.439 75 A N 1.459 124.125 122.820 -0.257 0.000 2.425 75 A HA 0.196 4.511 4.320 -0.009 0.000 0.249 75 A C 0.847 178.305 177.584 -0.210 0.000 1.084 75 A CA -0.627 51.233 52.037 -0.295 0.000 0.781 75 A CB 0.251 18.983 19.000 -0.447 0.000 1.019 75 A HN 0.781 nan 8.150 nan 0.000 0.490 76 L N 1.931 123.057 121.223 -0.162 0.000 2.046 76 L HA -0.055 4.279 4.340 -0.009 0.000 0.208 76 L C 0.220 177.015 176.870 -0.126 0.000 1.077 76 L CA 1.727 56.501 54.840 -0.110 0.000 0.747 76 L CB -0.263 41.749 42.059 -0.077 0.000 0.896 76 L HN 0.708 nan 8.230 nan 0.000 0.432 77 N N 0.218 118.811 118.700 -0.177 0.000 2.682 77 N HA 0.311 5.045 4.740 -0.009 0.000 0.252 77 N C -2.598 172.689 175.510 -0.372 0.000 1.081 77 N CA -1.390 51.541 53.050 -0.198 0.000 0.844 77 N CB 1.137 39.541 38.487 -0.137 0.000 1.167 77 N HN 0.034 nan 8.380 nan 0.000 0.523 78 P HA 0.052 nan 4.420 nan 0.000 0.262 78 P C 0.986 177.591 177.300 -1.159 0.000 1.182 78 P CA 0.958 63.388 63.100 -1.116 0.000 0.761 78 P CB 0.535 31.336 31.700 -1.500 0.000 0.795 79 G N 2.968 111.003 108.800 -1.275 0.000 2.253 79 G HA2 -0.217 3.738 3.960 -0.009 0.000 0.209 79 G HA3 -0.217 3.738 3.960 -0.009 0.000 0.209 79 G C 0.724 175.319 174.900 -0.509 0.000 0.997 79 G CA -0.205 44.538 45.100 -0.595 0.000 0.640 79 G HN 0.526 nan 8.290 nan 0.000 0.496 80 K N -0.136 119.921 120.400 -0.572 0.000 2.413 80 K HA 0.498 4.813 4.320 -0.009 0.000 0.204 80 K C -0.078 176.216 176.600 -0.510 0.000 1.041 80 K CA 0.119 56.156 56.287 -0.417 0.000 1.082 80 K CB 2.010 34.401 32.500 -0.182 0.000 0.871 80 K HN 0.197 nan 8.250 nan 0.000 0.535 81 V N 2.086 121.526 119.914 -0.790 0.000 2.409 81 V HA 0.410 4.524 4.120 -0.009 0.000 0.291 81 V C -1.027 174.613 176.094 -0.756 0.000 1.020 81 V CA -0.722 61.271 62.300 -0.513 0.000 0.848 81 V CB 0.827 32.395 31.823 -0.425 0.000 0.990 81 V HN 0.030 nan 8.190 nan 0.000 0.430 82 F N 4.226 124.196 119.950 0.034 0.000 2.507 82 F HA 0.580 5.101 4.527 -0.009 0.000 0.325 82 F C -0.150 175.826 175.800 0.293 0.000 1.116 82 F CA -0.711 57.311 58.000 0.036 0.000 0.930 82 F CB 1.484 40.462 39.000 -0.037 0.000 1.146 82 F HN 0.289 nan 8.300 nan 0.000 0.447 83 F N 2.342 122.291 119.950 -0.002 0.000 2.404 83 F HA 0.503 5.025 4.527 -0.009 0.000 0.354 83 F C 0.549 176.494 175.800 0.242 0.000 1.122 83 F CA -0.564 57.436 58.000 -0.000 0.000 1.080 83 F CB 1.706 40.468 39.000 -0.396 0.000 1.131 83 F HN 0.564 nan 8.300 nan 0.000 0.471 84 T N 0.151 114.950 114.554 0.409 0.000 2.742 84 T HA 0.848 5.193 4.350 -0.009 0.000 0.282 84 T C 0.274 175.117 174.700 0.238 0.000 1.025 84 T CA -0.164 62.132 62.100 0.325 0.000 1.020 84 T CB 1.386 70.347 68.868 0.155 0.000 1.317 84 T HN 0.992 nan 8.240 nan 0.000 0.538 85 G N 0.951 109.797 108.800 0.077 0.000 2.552 85 G HA2 -0.193 3.762 3.960 -0.009 0.000 0.265 85 G HA3 -0.193 3.762 3.960 -0.009 0.000 0.265 85 G C -0.300 174.680 174.900 0.133 0.000 1.234 85 G CA 0.354 45.489 45.100 0.057 0.000 0.944 85 G HN 1.116 nan 8.290 nan 0.000 0.568 86 D N 1.976 122.466 120.400 0.150 0.000 2.608 86 D HA 0.574 5.209 4.640 -0.009 0.000 0.224 86 D C 0.814 177.273 176.300 0.265 0.000 1.123 86 D CA 0.970 55.094 54.000 0.206 0.000 1.030 86 D CB -0.463 40.445 40.800 0.180 0.000 1.093 86 D HN 0.872 nan 8.370 nan 0.000 0.497 87 A N 2.528 125.557 122.820 0.349 0.000 2.248 87 A HA 0.776 5.090 4.320 -0.009 0.000 0.316 87 A C -0.082 177.693 177.584 0.319 0.000 1.101 87 A CA -0.613 51.625 52.037 0.335 0.000 0.875 87 A CB 1.033 20.285 19.000 0.419 0.000 1.207 87 A HN 0.402 nan 8.150 nan 0.000 0.504 88 K N -0.384 120.194 120.400 0.297 0.000 2.610 88 K HA 0.484 4.799 4.320 -0.009 0.000 0.267 88 K C -2.440 174.340 176.600 0.300 0.000 0.943 88 K CA -0.512 55.974 56.287 0.332 0.000 0.862 88 K CB 1.537 34.303 32.500 0.443 0.000 1.376 88 K HN 0.540 nan 8.250 nan 0.000 0.412 89 V N 2.740 122.845 119.914 0.319 0.000 2.588 89 V HA 0.447 4.561 4.120 -0.009 0.000 0.304 89 V C -1.027 175.238 176.094 0.285 0.000 1.042 89 V CA -0.672 61.814 62.300 0.309 0.000 0.877 89 V CB 1.760 33.822 31.823 0.397 0.000 0.996 89 V HN 0.791 nan 8.190 nan 0.000 0.425 90 E N 4.794 125.146 120.200 0.254 0.000 2.216 90 E HA 0.501 4.846 4.350 -0.009 0.000 0.260 90 E C -1.290 175.456 176.600 0.243 0.000 0.880 90 E CA -0.555 56.020 56.400 0.290 0.000 0.765 90 E CB 2.373 32.208 29.700 0.225 0.000 1.174 90 E HN 0.532 nan 8.360 nan 0.000 0.417 91 L N 4.259 125.642 121.223 0.268 0.000 2.314 91 L HA 0.385 4.720 4.340 -0.009 0.000 0.275 91 L C 1.220 178.231 176.870 0.235 0.000 1.068 91 L CA -0.152 54.813 54.840 0.208 0.000 0.894 91 L CB 0.312 42.473 42.059 0.171 0.000 1.275 91 L HN 0.410 nan 8.230 nan 0.000 0.432 92 R N 1.281 121.888 120.500 0.180 0.000 2.189 92 R HA 0.128 4.463 4.340 -0.009 0.000 0.203 92 R C 1.261 177.635 176.300 0.122 0.000 1.012 92 R CA 0.319 56.507 56.100 0.147 0.000 1.015 92 R CB 0.349 30.667 30.300 0.029 0.000 0.938 92 R HN 0.665 nan 8.270 nan 0.000 0.472 93 G N 0.603 109.470 108.800 0.112 0.000 2.535 93 G HA2 0.183 4.138 3.960 -0.009 0.000 0.282 93 G HA3 0.183 4.138 3.960 -0.009 0.000 0.282 93 G C -0.492 174.481 174.900 0.122 0.000 1.350 93 G CA -0.475 44.690 45.100 0.109 0.000 1.039 93 G HN 0.060 nan 8.290 nan 0.000 0.509 94 E N -1.230 119.046 120.200 0.127 0.000 2.264 94 E HA 0.320 4.665 4.350 -0.009 0.000 0.260 94 E C -0.610 176.071 176.600 0.134 0.000 0.961 94 E CA -0.987 55.473 56.400 0.101 0.000 0.834 94 E CB 1.137 30.892 29.700 0.090 0.000 1.230 94 E HN 0.542 nan 8.360 nan 0.000 0.412 95 H N -0.268 118.919 119.070 0.194 0.000 2.692 95 H HA -0.173 4.378 4.556 -0.009 0.000 0.316 95 H C -0.823 174.569 175.328 0.107 0.000 1.176 95 H CA 0.533 56.660 56.048 0.132 0.000 1.142 95 H CB -1.843 27.950 29.762 0.052 0.000 1.475 95 H HN 0.319 nan 8.280 nan 0.000 0.423 96 L N 0.638 121.967 121.223 0.177 0.000 2.330 96 L HA 0.667 5.002 4.340 -0.009 0.000 0.271 96 L C 0.724 177.674 176.870 0.133 0.000 1.013 96 L CA -0.810 54.117 54.840 0.145 0.000 0.816 96 L CB 2.241 44.380 42.059 0.133 0.000 1.287 96 L HN 0.034 nan 8.230 nan 0.000 0.435 97 I N 2.854 123.494 120.570 0.116 0.000 2.534 97 I HA 0.312 4.477 4.170 -0.009 0.000 0.288 97 I C -1.295 174.880 176.117 0.097 0.000 1.077 97 I CA -0.541 60.824 61.300 0.107 0.000 1.051 97 I CB 2.509 40.564 38.000 0.092 0.000 1.234 97 I HN 0.287 nan 8.210 nan 0.000 0.425 98 L N 7.106 128.395 121.223 0.110 0.000 2.305 98 L HA 0.566 4.900 4.340 -0.009 0.000 0.284 98 L C -0.550 176.369 176.870 0.082 0.000 1.013 98 L CA 0.204 55.104 54.840 0.100 0.000 0.819 98 L CB 1.261 43.411 42.059 0.152 0.000 1.227 98 L HN 0.675 nan 8.230 nan 0.000 0.417 99 E N 3.574 123.790 120.200 0.026 0.000 2.340 99 E HA 0.550 4.895 4.350 -0.009 0.000 0.273 99 E C 0.241 176.792 176.600 -0.082 0.000 0.891 99 E CA -0.319 56.099 56.400 0.031 0.000 0.757 99 E CB 1.682 31.427 29.700 0.074 0.000 1.231 99 E HN 0.886 nan 8.360 nan 0.000 0.439 100 G N 4.003 112.768 108.800 -0.059 0.000 2.273 100 G HA2 -0.195 3.760 3.960 -0.009 0.000 0.280 100 G HA3 -0.195 3.760 3.960 -0.009 0.000 0.280 100 G C -0.120 174.467 174.900 -0.521 0.000 1.047 100 G CA 0.468 45.368 45.100 -0.332 0.000 0.869 100 G HN 0.337 nan 8.290 nan 0.000 0.502 101 I N -0.625 119.713 120.570 -0.387 0.000 2.460 101 I HA 0.490 4.654 4.170 -0.009 0.000 0.298 101 I C -0.006 175.847 176.117 -0.439 0.000 0.989 101 I CA -1.758 59.152 61.300 -0.649 0.000 1.173 101 I CB 1.556 38.968 38.000 -0.980 0.000 1.338 101 I HN 0.244 nan 8.210 nan 0.000 0.456 102 W N 7.245 128.132 121.300 -0.688 0.000 2.318 102 W HA 0.441 5.096 4.660 -0.009 0.000 0.315 102 W C -1.805 174.543 176.519 -0.284 0.000 1.033 102 W CA -1.224 55.931 57.345 -0.317 0.000 1.275 102 W CB 1.237 30.571 29.460 -0.210 0.000 1.250 102 W HN 0.197 nan 8.180 nan 0.000 0.421 103 F N 6.552 126.514 119.950 0.020 0.000 2.391 103 F HA 0.344 4.866 4.527 -0.008 0.000 0.359 103 F C 0.548 176.663 175.800 0.525 0.000 1.122 103 F CA -0.202 57.900 58.000 0.170 0.000 1.120 103 F CB 0.832 39.602 39.000 -0.384 0.000 1.142 103 F HN 0.238 nan 8.300 nan 0.000 0.483 104 K N 0.304 121.176 120.400 0.787 0.000 2.556 104 K HA 0.419 4.734 4.320 -0.009 0.000 0.289 104 K C -1.244 175.451 176.600 0.159 0.000 1.040 104 K CA -1.022 55.574 56.287 0.515 0.000 0.894 104 K CB 1.180 33.989 32.500 0.517 0.000 1.547 104 K HN 0.235 nan 8.250 nan 0.000 0.417 105 D N 0.039 120.428 120.400 -0.018 0.000 2.704 105 D HA -0.148 4.486 4.640 -0.009 0.000 0.232 105 D C 0.188 176.291 176.300 -0.327 0.000 1.183 105 D CA 1.692 55.609 54.000 -0.139 0.000 0.647 105 D CB -1.411 39.338 40.800 -0.086 0.000 1.013 105 D HN 0.768 nan 8.370 nan 0.000 0.415 106 G N -0.000 108.317 108.800 -0.804 0.000 2.562 106 G HA2 0.378 4.333 3.960 -0.009 0.000 0.275 106 G HA3 0.378 4.333 3.960 -0.009 0.000 0.275 106 G C 0.568 175.172 174.900 -0.493 0.000 1.196 106 G CA -0.284 44.070 45.100 -1.243 0.000 0.908 106 G HN 0.248 nan 8.290 nan 0.000 0.524 107 N N -1.436 117.106 118.700 -0.263 0.000 2.528 107 N HA 0.029 4.764 4.740 -0.009 0.000 0.266 107 N C -0.011 175.517 175.510 0.031 0.000 1.528 107 N CA -0.407 52.598 53.050 -0.075 0.000 0.959 107 N CB 0.247 38.712 38.487 -0.037 0.000 1.430 107 N HN 0.451 nan 8.380 nan 0.000 0.511 108 R N 0.412 120.937 120.500 0.043 0.000 2.694 108 R HA 0.499 4.833 4.340 -0.009 0.000 0.268 108 R C 0.163 176.560 176.300 0.161 0.000 1.061 108 R CA 0.006 56.166 56.100 0.100 0.000 1.133 108 R CB 0.618 30.792 30.300 -0.210 0.000 1.020 108 R HN 0.294 nan 8.270 nan 0.000 0.475 109 A N 3.558 126.559 122.820 0.300 0.000 2.491 109 A HA 0.080 4.395 4.320 -0.009 0.000 0.261 109 A C 1.546 179.316 177.584 0.310 0.000 1.101 109 A CA -0.265 51.931 52.037 0.265 0.000 0.772 109 A CB -0.390 18.757 19.000 0.245 0.000 1.043 109 A HN 0.946 nan 8.150 nan 0.000 0.501 110 I N 0.950 121.642 120.570 0.203 0.000 2.567 110 I HA -0.208 3.957 4.170 -0.009 0.000 0.257 110 I C 1.749 177.978 176.117 0.187 0.000 1.184 110 I CA 1.530 62.946 61.300 0.194 0.000 1.451 110 I CB -0.239 37.840 38.000 0.133 0.000 1.089 110 I HN 0.752 nan 8.210 nan 0.000 0.441 111 Q N 1.912 121.808 119.800 0.161 0.000 2.360 111 Q HA 0.243 4.578 4.340 -0.009 0.000 0.202 111 Q C 1.389 177.457 176.000 0.113 0.000 0.915 111 Q CA 0.889 56.760 55.803 0.114 0.000 0.943 111 Q CB 0.521 29.304 28.738 0.075 0.000 1.064 111 Q HN 0.587 nan 8.270 nan 0.000 0.511 112 A N -0.579 122.351 122.820 0.182 0.000 2.382 112 A HA 0.379 4.694 4.320 -0.009 0.000 0.228 112 A C -0.518 177.010 177.584 -0.093 0.000 1.217 112 A CA -0.391 51.680 52.037 0.057 0.000 0.923 112 A CB 0.214 19.255 19.000 0.069 0.000 0.979 112 A HN 0.279 nan 8.150 nan 0.000 0.515 113 W N 0.694 122.046 121.300 0.087 0.000 2.761 113 W HA 0.615 5.270 4.660 -0.008 0.000 0.340 113 W C -0.028 176.542 176.519 0.083 0.000 1.072 113 W CA -0.583 56.820 57.345 0.096 0.000 1.215 113 W CB 1.287 30.821 29.460 0.122 0.000 1.420 113 W HN 0.159 nan 8.180 nan 0.000 0.519 114 K N -0.067 120.507 120.400 0.290 0.000 2.482 114 K HA 0.787 5.102 4.320 -0.009 0.000 0.257 114 K C -0.586 176.123 176.600 0.183 0.000 0.969 114 K CA -0.929 55.475 56.287 0.195 0.000 0.842 114 K CB 1.817 34.396 32.500 0.131 0.000 1.359 114 K HN 0.206 nan 8.250 nan 0.000 0.441 115 S N 1.814 117.589 115.700 0.125 0.000 2.572 115 S HA 0.090 4.555 4.470 -0.009 0.000 0.279 115 S C -0.035 174.604 174.600 0.066 0.000 1.341 115 S CA -0.099 58.108 58.200 0.012 0.000 1.043 115 S CB -0.221 62.939 63.200 -0.067 0.000 0.887 115 S HN 0.884 nan 8.310 nan 0.000 0.516 116 H N -1.594 117.540 119.070 0.106 0.000 3.433 116 H HA -0.134 4.417 4.556 -0.007 0.000 0.197 116 H C 0.659 176.055 175.328 0.113 0.000 1.059 116 H CA 0.895 57.021 56.048 0.130 0.000 1.185 116 H CB -1.583 28.261 29.762 0.136 0.000 1.106 116 H HN 0.719 nan 8.280 nan 0.000 0.329 117 G N 0.686 109.595 108.800 0.181 0.000 2.753 117 G HA2 0.579 4.534 3.960 -0.009 0.000 0.285 117 G HA3 0.579 4.534 3.960 -0.009 0.000 0.285 117 G C -2.197 172.786 174.900 0.137 0.000 1.344 117 G CA -0.842 44.348 45.100 0.150 0.000 1.050 117 G HN 0.013 nan 8.290 nan 0.000 0.532 118 P HA 0.224 nan 4.420 nan 0.000 0.272 118 P C 0.343 177.800 177.300 0.261 0.000 1.223 118 P CA 0.079 63.262 63.100 0.137 0.000 0.784 118 P CB 1.042 32.850 31.700 0.179 0.000 0.923 119 G N 0.947 109.835 108.800 0.147 0.000 2.580 119 G HA2 0.192 4.147 3.960 -0.009 0.000 0.278 119 G HA3 0.192 4.147 3.960 -0.009 0.000 0.278 119 G C 0.833 175.846 174.900 0.188 0.000 1.212 119 G CA -0.642 44.535 45.100 0.128 0.000 0.939 119 G HN 0.514 nan 8.290 nan 0.000 0.513 120 L N -0.150 121.084 121.223 0.019 0.000 2.043 120 L HA -0.010 4.324 4.340 -0.009 0.000 0.212 120 L C 1.003 177.890 176.870 0.028 0.000 1.075 120 L CA 1.616 56.386 54.840 -0.116 0.000 0.752 120 L CB -0.243 41.620 42.059 -0.326 0.000 0.891 120 L HN 0.141 nan 8.230 nan 0.000 0.432 121 V N 1.015 120.935 119.914 0.010 0.000 2.357 121 V HA 0.697 4.812 4.120 -0.009 0.000 0.284 121 V C 0.013 176.144 176.094 0.061 0.000 1.018 121 V CA -0.232 62.117 62.300 0.082 0.000 0.841 121 V CB 0.729 32.596 31.823 0.072 0.000 0.991 121 V HN 0.346 nan 8.190 nan 0.000 0.437 122 A N 6.739 129.627 122.820 0.113 0.000 2.287 122 A HA 0.826 5.141 4.320 -0.009 0.000 0.317 122 A C -0.556 176.999 177.584 -0.048 0.000 1.220 122 A CA -0.480 51.538 52.037 -0.032 0.000 0.835 122 A CB 0.539 19.537 19.000 -0.004 0.000 1.180 122 A HN 0.786 nan 8.150 nan 0.000 0.500 123 I N 3.117 123.588 120.570 -0.165 0.000 2.307 123 I HA 0.202 4.367 4.170 -0.009 0.000 0.289 123 I C -0.391 175.638 176.117 -0.146 0.000 1.021 123 I CA -0.038 61.224 61.300 -0.064 0.000 1.224 123 I CB 0.751 38.711 38.000 -0.067 0.000 1.376 123 I HN 0.820 nan 8.210 nan 0.000 0.470 124 Y N 4.355 124.680 120.300 0.043 0.000 2.449 124 Y HA 0.323 4.867 4.550 -0.009 0.000 0.254 124 Y C 1.457 177.384 175.900 0.045 0.000 1.140 124 Y CA -0.351 57.774 58.100 0.043 0.000 1.272 124 Y CB 0.589 39.076 38.460 0.046 0.000 1.114 124 Y HN 0.532 nan 8.280 nan 0.000 0.525 125 G N -0.636 108.274 108.800 0.183 0.000 2.489 125 G HA2 0.495 4.450 3.960 -0.009 0.000 0.327 125 G HA3 0.495 4.450 3.960 -0.009 0.000 0.327 125 G C -0.580 174.368 174.900 0.081 0.000 1.189 125 G CA -0.563 44.616 45.100 0.132 0.000 0.962 125 G HN 0.002 nan 8.290 nan 0.000 0.486 126 S N -1.194 114.540 115.700 0.057 0.000 2.669 126 S HA 0.400 4.865 4.470 -0.009 0.000 0.270 126 S C -0.438 174.139 174.600 -0.038 0.000 1.225 126 S CA -0.160 57.996 58.200 -0.073 0.000 0.991 126 S CB 0.273 63.328 63.200 -0.243 0.000 0.987 126 S HN 0.655 nan 8.310 nan 0.000 0.552 127 Y N -0.908 119.401 120.300 0.014 0.000 3.825 127 Y HA -0.223 4.321 4.550 -0.009 0.000 0.221 127 Y C 0.165 176.044 175.900 -0.036 0.000 1.195 127 Y CA -0.010 58.045 58.100 -0.075 0.000 1.699 127 Y CB -2.242 35.922 38.460 -0.494 0.000 1.531 127 Y HN 0.442 nan 8.280 nan 0.000 0.640 128 N N 1.177 119.943 118.700 0.109 0.000 2.466 128 N HA 0.634 5.369 4.740 -0.009 0.000 0.294 128 N C -0.295 175.282 175.510 0.112 0.000 1.129 128 N CA -0.851 52.266 53.050 0.112 0.000 0.931 128 N CB 1.847 40.390 38.487 0.094 0.000 1.193 128 N HN 0.347 nan 8.380 nan 0.000 0.500 129 R N 1.111 121.683 120.500 0.121 0.000 2.621 129 R HA 0.545 4.879 4.340 -0.009 0.000 0.284 129 R C -1.449 174.927 176.300 0.127 0.000 0.998 129 R CA -0.576 55.598 56.100 0.123 0.000 0.895 129 R CB 1.417 31.796 30.300 0.132 0.000 1.195 129 R HN 0.652 nan 8.270 nan 0.000 0.450 130 I N 3.360 124.011 120.570 0.135 0.000 2.410 130 I HA 0.372 4.537 4.170 -0.009 0.000 0.286 130 I C -1.409 174.811 176.117 0.173 0.000 1.009 130 I CA -0.173 61.224 61.300 0.162 0.000 1.111 130 I CB 1.985 40.096 38.000 0.186 0.000 1.262 130 I HN 0.692 nan 8.210 nan 0.000 0.443 131 T N 4.824 119.479 114.554 0.168 0.000 2.903 131 T HA 0.614 4.959 4.350 -0.009 0.000 0.299 131 T C 0.041 174.851 174.700 0.182 0.000 1.093 131 T CA 0.307 62.515 62.100 0.179 0.000 1.002 131 T CB 1.521 70.490 68.868 0.169 0.000 1.127 131 T HN 1.252 nan 8.240 nan 0.000 0.488 132 A N 1.536 124.463 122.820 0.178 0.000 2.687 132 A HA -0.120 4.195 4.320 -0.009 0.000 0.299 132 A C 0.466 178.193 177.584 0.238 0.000 1.497 132 A CA 0.799 52.938 52.037 0.170 0.000 0.751 132 A CB -2.660 16.503 19.000 0.273 0.000 1.048 132 A HN 0.898 nan 8.150 nan 0.000 0.464 133 C N -0.918 118.454 119.300 0.120 0.000 2.529 133 C HA 0.725 5.180 4.460 -0.009 0.000 0.329 133 C C 0.620 175.553 174.990 -0.095 0.000 1.194 133 C CA -0.548 58.514 59.018 0.073 0.000 1.779 133 C CB 1.792 29.601 27.740 0.115 0.000 2.322 133 C HN 0.672 nan 8.230 nan 0.000 0.500 134 V N 2.263 122.029 119.914 -0.247 0.000 2.495 134 V HA 0.531 4.646 4.120 -0.009 0.000 0.298 134 V C -1.037 174.726 176.094 -0.552 0.000 1.031 134 V CA -0.221 61.792 62.300 -0.478 0.000 0.871 134 V CB 1.189 32.436 31.823 -0.960 0.000 0.988 134 V HN 0.704 nan 8.190 nan 0.000 0.432 135 F N 2.809 122.567 119.950 -0.320 0.000 2.445 135 F HA 0.528 5.050 4.527 -0.008 0.000 0.348 135 F C -0.184 175.517 175.800 -0.165 0.000 1.125 135 F CA -0.854 56.982 58.000 -0.274 0.000 0.983 135 F CB 1.598 40.354 39.000 -0.407 0.000 1.198 135 F HN 0.443 nan 8.300 nan 0.000 0.436 136 D N 2.392 122.842 120.400 0.083 0.000 2.469 136 D HA 0.176 4.811 4.640 -0.009 0.000 0.251 136 D C -0.210 176.235 176.300 0.242 0.000 1.173 136 D CA -0.287 53.811 54.000 0.165 0.000 0.882 136 D CB 1.189 42.079 40.800 0.150 0.000 1.129 136 D HN 0.718 nan 8.370 nan 0.000 0.549 137 C N 5.745 125.205 119.300 0.266 0.000 3.409 137 C HA -0.257 4.198 4.460 -0.009 0.000 0.273 137 C C 1.547 176.694 174.990 0.262 0.000 1.375 137 C CA 0.111 59.279 59.018 0.249 0.000 2.175 137 C CB -2.526 25.294 27.740 0.134 0.000 1.410 137 C HN 0.755 nan 8.230 nan 0.000 0.550 138 F N 2.433 122.480 119.950 0.161 0.000 2.011 138 F HA 0.049 4.570 4.527 -0.009 0.000 0.296 138 F C 1.443 177.319 175.800 0.126 0.000 1.144 138 F CA 2.984 61.053 58.000 0.115 0.000 1.185 138 F CB 0.099 39.117 39.000 0.030 0.000 0.961 138 F HN 0.786 nan 8.300 nan 0.000 0.485 139 D N -2.838 117.642 120.400 0.133 0.000 3.309 139 D HA 0.128 4.762 4.640 -0.009 0.000 0.335 139 D C -0.259 176.108 176.300 0.112 0.000 1.393 139 D CA -0.406 53.587 54.000 -0.013 0.000 0.963 139 D CB 0.033 40.735 40.800 -0.162 0.000 1.431 139 D HN 0.156 nan 8.370 nan 0.000 0.583 140 E N -0.824 119.427 120.200 0.085 0.000 2.501 140 E HA 0.439 4.784 4.350 -0.009 0.000 0.201 140 E C -0.258 176.426 176.600 0.140 0.000 1.016 140 E CA -0.296 56.177 56.400 0.122 0.000 0.920 140 E CB 0.956 30.719 29.700 0.104 0.000 1.023 140 E HN 0.464 nan 8.360 nan 0.000 0.474 141 A N 1.762 124.653 122.820 0.118 0.000 2.320 141 A HA 0.220 4.535 4.320 -0.009 0.000 0.287 141 A C -0.102 177.575 177.584 0.155 0.000 1.181 141 A CA -0.629 51.483 52.037 0.124 0.000 0.831 141 A CB 0.266 19.247 19.000 -0.032 0.000 1.102 141 A HN 0.064 nan 8.150 nan 0.000 0.513 142 N N 1.888 120.718 118.700 0.218 0.000 2.475 142 N HA 0.394 5.129 4.740 -0.009 0.000 0.267 142 N C -0.021 175.620 175.510 0.218 0.000 1.169 142 N CA 0.839 54.020 53.050 0.219 0.000 0.947 142 N CB 0.914 39.545 38.487 0.240 0.000 1.061 142 N HN 0.933 nan 8.380 nan 0.000 0.466 143 S N -0.142 115.639 115.700 0.136 0.000 2.701 143 S HA 0.546 5.010 4.470 -0.009 0.000 0.267 143 S C -1.151 173.443 174.600 -0.010 0.000 1.034 143 S CA -1.054 57.222 58.200 0.126 0.000 0.867 143 S CB 0.295 63.646 63.200 0.252 0.000 1.123 143 S HN 0.574 nan 8.310 nan 0.000 0.470 144 A N 0.290 123.087 122.820 -0.038 0.000 2.272 144 A HA 0.710 5.025 4.320 -0.009 0.000 0.275 144 A C 0.276 177.808 177.584 -0.086 0.000 1.096 144 A CA -0.417 51.524 52.037 -0.159 0.000 0.822 144 A CB -0.292 18.612 19.000 -0.161 0.000 1.088 144 A HN 0.963 nan 8.150 nan 0.000 0.495 145 Y N -0.430 119.687 120.300 -0.304 0.000 2.365 145 Y HA 0.283 4.828 4.550 -0.009 0.000 0.293 145 Y C 0.597 176.208 175.900 -0.483 0.000 1.119 145 Y CA 0.434 58.283 58.100 -0.418 0.000 1.203 145 Y CB -0.048 38.050 38.460 -0.603 0.000 1.026 145 Y HN 0.331 nan 8.280 nan 0.000 0.549 146 I N -0.046 120.347 120.570 -0.295 0.000 2.656 146 I HA 0.368 4.533 4.170 -0.009 0.000 0.292 146 I C -0.666 175.335 176.117 -0.194 0.000 1.144 146 I CA -0.678 60.477 61.300 -0.242 0.000 1.038 146 I CB 2.500 40.336 38.000 -0.273 0.000 1.244 146 I HN -0.150 nan 8.210 nan 0.000 0.420 147 T N 0.086 114.548 114.554 -0.153 0.000 2.883 147 T HA 0.620 4.965 4.350 -0.009 0.000 0.301 147 T C -0.565 174.011 174.700 -0.207 0.000 1.158 147 T CA -0.789 61.209 62.100 -0.170 0.000 1.007 147 T CB 1.948 70.733 68.868 -0.140 0.000 1.186 147 T HN 0.594 nan 8.240 nan 0.000 0.499 148 T N 0.006 114.426 114.554 -0.223 0.000 2.758 148 T HA 0.728 5.073 4.350 -0.009 0.000 0.285 148 T C -0.351 174.218 174.700 -0.218 0.000 0.981 148 T CA -0.672 61.286 62.100 -0.237 0.000 0.965 148 T CB 0.980 69.686 68.868 -0.271 0.000 0.927 148 T HN 0.673 nan 8.240 nan 0.000 0.448 149 S N 2.413 117.913 115.700 -0.333 0.000 2.566 149 S HA 0.651 5.115 4.470 -0.009 0.000 0.298 149 S C -0.525 173.999 174.600 -0.127 0.000 1.083 149 S CA -0.908 57.105 58.200 -0.312 0.000 0.978 149 S CB 0.996 63.833 63.200 -0.606 0.000 1.073 149 S HN 0.590 nan 8.310 nan 0.000 0.491 150 L N 2.671 123.910 121.223 0.027 0.000 2.371 150 L HA 0.352 4.687 4.340 -0.009 0.000 0.272 150 L C 1.327 178.348 176.870 0.252 0.000 1.124 150 L CA 0.029 54.943 54.840 0.123 0.000 0.816 150 L CB 0.274 42.392 42.059 0.098 0.000 1.129 150 L HN 0.861 nan 8.230 nan 0.000 0.448 151 T N -1.613 113.087 114.554 0.243 0.000 2.766 151 T HA 0.144 4.489 4.350 -0.009 0.000 0.295 151 T C 0.964 175.734 174.700 0.118 0.000 1.024 151 T CA -0.577 61.645 62.100 0.203 0.000 1.018 151 T CB 0.471 69.411 68.868 0.120 0.000 1.002 151 T HN 0.644 nan 8.240 nan 0.000 0.532 152 E N 0.719 120.957 120.200 0.063 0.000 2.204 152 E HA -0.144 4.201 4.350 -0.009 0.000 0.195 152 E C 1.442 178.065 176.600 0.039 0.000 0.990 152 E CA 1.231 57.657 56.400 0.044 0.000 0.821 152 E CB -0.082 29.626 29.700 0.013 0.000 0.750 152 E HN 0.806 nan 8.360 nan 0.000 0.477 153 D N -0.757 119.666 120.400 0.039 0.000 2.328 153 D HA 0.001 4.636 4.640 -0.009 0.000 0.226 153 D C 1.265 177.590 176.300 0.042 0.000 1.066 153 D CA 0.747 54.767 54.000 0.034 0.000 0.861 153 D CB 0.546 41.364 40.800 0.029 0.000 0.912 153 D HN 0.229 nan 8.370 nan 0.000 0.521 154 G N 0.882 109.715 108.800 0.055 0.000 2.195 154 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.246 154 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.246 154 G C 0.156 175.093 174.900 0.061 0.000 0.984 154 G CA -0.022 45.111 45.100 0.056 0.000 0.633 154 G HN 0.428 nan 8.290 nan 0.000 0.525 155 K N 0.652 121.092 120.400 0.067 0.000 2.451 155 K HA 0.411 4.726 4.320 -0.009 0.000 0.280 155 K C 0.131 176.775 176.600 0.074 0.000 1.020 155 K CA -0.068 56.259 56.287 0.068 0.000 1.008 155 K CB 1.814 34.357 32.500 0.073 0.000 0.917 155 K HN 0.071 nan 8.250 nan 0.000 0.478 156 V N 5.457 125.404 119.914 0.055 0.000 2.370 156 V HA 0.172 4.286 4.120 -0.009 0.000 0.279 156 V C -2.081 174.037 176.094 0.040 0.000 1.029 156 V CA -2.138 60.188 62.300 0.044 0.000 0.870 156 V CB 1.133 32.967 31.823 0.018 0.000 0.984 156 V HN 0.659 nan 8.190 nan 0.000 0.451 157 P HA 0.286 nan 4.420 nan 0.000 0.268 157 P C -0.667 176.685 177.300 0.086 0.000 1.205 157 P CA -0.041 63.104 63.100 0.076 0.000 0.771 157 P CB 0.486 32.233 31.700 0.077 0.000 0.858 158 Q N 0.341 120.130 119.800 -0.019 0.000 2.495 158 Q HA 0.331 4.665 4.340 -0.009 0.000 0.287 158 Q C -0.503 175.364 176.000 -0.221 0.000 1.078 158 Q CA -0.840 54.816 55.803 -0.245 0.000 0.793 158 Q CB 1.407 29.933 28.738 -0.353 0.000 1.459 158 Q HN 0.510 nan 8.270 nan 0.000 0.422 159 H N -1.760 117.231 119.070 -0.130 0.000 2.713 159 H HA -0.174 4.377 4.556 -0.008 0.000 0.311 159 H C -0.796 174.565 175.328 0.055 0.000 1.175 159 H CA 0.364 56.367 56.048 -0.075 0.000 1.143 159 H CB -1.947 27.604 29.762 -0.352 0.000 1.434 159 H HN 0.489 nan 8.280 nan 0.000 0.418 160 C N 0.352 119.875 119.300 0.372 0.000 2.349 160 C HA 0.719 5.174 4.460 -0.009 0.000 0.361 160 C C 1.171 176.254 174.990 0.155 0.000 1.189 160 C CA -0.728 58.394 59.018 0.173 0.000 2.155 160 C CB 2.291 30.005 27.740 -0.044 0.000 2.336 160 C HN 0.581 nan 8.230 nan 0.000 0.540 161 R N 1.022 121.586 120.500 0.106 0.000 2.621 161 R HA 0.719 5.053 4.340 -0.009 0.000 0.284 161 R C -1.955 174.408 176.300 0.105 0.000 0.998 161 R CA -0.413 55.759 56.100 0.119 0.000 0.895 161 R CB 0.933 31.323 30.300 0.149 0.000 1.195 161 R HN 0.804 nan 8.270 nan 0.000 0.450 162 I N 5.325 125.962 120.570 0.111 0.000 2.411 162 I HA 0.309 4.474 4.170 -0.009 0.000 0.284 162 I C -0.911 175.305 176.117 0.165 0.000 1.012 162 I CA -0.566 60.815 61.300 0.136 0.000 1.119 162 I CB 1.639 39.713 38.000 0.123 0.000 1.261 162 I HN 0.651 nan 8.210 nan 0.000 0.448 163 D N 4.015 124.525 120.400 0.184 0.000 2.661 163 D HA 0.261 4.896 4.640 -0.009 0.000 0.228 163 D C -0.267 176.165 176.300 0.220 0.000 1.183 163 D CA -0.744 53.374 54.000 0.197 0.000 0.844 163 D CB 1.194 42.182 40.800 0.314 0.000 1.555 163 D HN 0.607 nan 8.370 nan 0.000 0.453 164 H N -1.946 117.154 119.070 0.050 0.000 2.741 164 H HA -0.158 4.393 4.556 -0.009 0.000 0.305 164 H C -0.518 174.721 175.328 -0.149 0.000 1.169 164 H CA 0.745 56.760 56.048 -0.055 0.000 1.144 164 H CB -1.888 27.841 29.762 -0.054 0.000 1.397 164 H HN 0.442 nan 8.280 nan 0.000 0.409 165 C N -0.223 118.986 119.300 -0.151 0.000 2.397 165 C HA 0.693 5.148 4.460 -0.009 0.000 0.343 165 C C 0.857 175.444 174.990 -0.672 0.000 1.188 165 C CA -0.421 58.372 59.018 -0.375 0.000 1.992 165 C CB 1.896 29.379 27.740 -0.428 0.000 2.358 165 C HN 0.661 nan 8.230 nan 0.000 0.518 166 S N 0.992 116.303 115.700 -0.649 0.000 2.454 166 S HA 0.777 5.242 4.470 -0.009 0.000 0.306 166 S C -1.352 172.868 174.600 -0.634 0.000 1.100 166 S CA -0.391 57.532 58.200 -0.460 0.000 1.087 166 S CB 0.122 63.247 63.200 -0.125 0.000 1.019 166 S HN 0.464 nan 8.310 nan 0.000 0.480 167 F N 3.213 123.089 119.950 -0.124 0.000 2.430 167 F HA 0.407 4.929 4.527 -0.008 0.000 0.362 167 F C 0.666 176.468 175.800 0.002 0.000 1.103 167 F CA -0.622 57.345 58.000 -0.055 0.000 1.045 167 F CB 1.663 40.506 39.000 -0.262 0.000 1.276 167 F HN 0.535 nan 8.300 nan 0.000 0.444 168 T N -1.887 112.808 114.554 0.235 0.000 2.907 168 T HA 0.456 4.801 4.350 -0.009 0.000 0.292 168 T C -0.505 174.293 174.700 0.163 0.000 1.043 168 T CA -0.960 61.238 62.100 0.162 0.000 1.003 168 T CB 1.850 70.797 68.868 0.132 0.000 1.084 168 T HN 0.376 nan 8.240 nan 0.000 0.483 169 D N -0.112 120.329 120.400 0.068 0.000 2.701 169 D HA -0.149 4.486 4.640 -0.009 0.000 0.235 169 D C -0.103 176.169 176.300 -0.047 0.000 1.155 169 D CA 0.996 54.977 54.000 -0.031 0.000 0.649 169 D CB -0.803 40.011 40.800 0.022 0.000 1.050 169 D HN 0.785 nan 8.370 nan 0.000 0.425 170 K N 1.030 121.400 120.400 -0.050 0.000 2.383 170 K HA 0.226 4.540 4.320 -0.009 0.000 0.286 170 K C 1.550 177.987 176.600 -0.270 0.000 1.051 170 K CA -0.222 56.020 56.287 -0.075 0.000 0.974 170 K CB 0.289 32.620 32.500 -0.282 0.000 0.968 170 K HN 0.388 nan 8.250 nan 0.000 0.475 171 I N 0.823 121.288 120.570 -0.174 0.000 3.974 171 I HA 0.141 4.306 4.170 -0.009 0.000 0.334 171 I C -0.086 176.090 176.117 0.098 0.000 1.437 171 I CA -0.690 60.490 61.300 -0.200 0.000 1.113 171 I CB 0.454 38.399 38.000 -0.091 0.000 1.063 171 I HN 0.358 nan 8.210 nan 0.000 0.400 172 T N -2.101 112.442 114.554 -0.019 0.000 2.950 172 T HA 0.592 4.937 4.350 -0.009 0.000 0.288 172 T C -0.258 174.372 174.700 -0.117 0.000 1.035 172 T CA -0.452 61.657 62.100 0.016 0.000 1.028 172 T CB 1.688 70.606 68.868 0.084 0.000 1.109 172 T HN 0.054 nan 8.240 nan 0.000 0.514 173 F N 1.159 121.117 119.950 0.013 0.000 2.399 173 F HA 0.519 5.041 4.527 -0.008 0.000 0.313 173 F C 1.237 176.984 175.800 -0.089 0.000 1.202 173 F CA 0.560 58.543 58.000 -0.028 0.000 1.192 173 F CB 0.101 39.094 39.000 -0.011 0.000 1.256 173 F HN 0.898 nan 8.300 nan 0.000 0.558 174 D N 0.065 120.511 120.400 0.076 0.000 10.697 174 D HA -0.170 4.465 4.640 -0.009 0.000 0.348 174 D C -0.803 175.407 176.300 -0.151 0.000 3.134 174 D CA -0.267 53.682 54.000 -0.085 0.000 2.641 174 D CB 0.110 40.847 40.800 -0.104 0.000 1.229 174 D HN 0.505 nan 8.370 nan 0.000 0.945 175 Q N -0.267 119.424 119.800 -0.181 0.000 2.584 175 Q HA 0.339 4.674 4.340 -0.009 0.000 0.218 175 Q C 1.325 177.159 176.000 -0.278 0.000 1.079 175 Q CA 0.010 55.692 55.803 -0.202 0.000 1.008 175 Q CB 0.477 29.104 28.738 -0.184 0.000 1.267 175 Q HN 0.319 nan 8.270 nan 0.000 0.586 176 V N -0.034 119.705 119.914 -0.291 0.000 2.488 176 V HA 0.007 4.121 4.120 -0.009 0.000 0.246 176 V C 0.582 176.408 176.094 -0.447 0.000 1.046 176 V CA 1.282 63.324 62.300 -0.431 0.000 1.053 176 V CB -0.098 31.543 31.823 -0.304 0.000 0.679 176 V HN 0.516 nan 8.190 nan 0.000 0.458 177 I N 0.528 120.910 120.570 -0.314 0.000 2.569 177 I HA 0.424 4.589 4.170 -0.009 0.000 0.290 177 I C -1.125 174.874 176.117 -0.196 0.000 1.088 177 I CA -0.411 60.727 61.300 -0.272 0.000 1.047 177 I CB 2.051 39.919 38.000 -0.220 0.000 1.237 177 I HN 0.082 nan 8.210 nan 0.000 0.421 178 N N 7.194 125.782 118.700 -0.188 0.000 2.354 178 N HA 0.535 5.270 4.740 -0.009 0.000 0.287 178 N C -1.149 174.258 175.510 -0.172 0.000 1.016 178 N CA -0.455 52.486 53.050 -0.182 0.000 0.871 178 N CB 2.755 41.135 38.487 -0.179 0.000 1.299 178 N HN 0.452 nan 8.380 nan 0.000 0.482 179 L N 2.622 123.752 121.223 -0.154 0.000 2.283 179 L HA 0.400 4.735 4.340 -0.009 0.000 0.281 179 L C -0.152 176.648 176.870 -0.117 0.000 1.033 179 L CA -0.673 54.104 54.840 -0.104 0.000 0.848 179 L CB 0.544 42.597 42.059 -0.010 0.000 1.226 179 L HN 0.241 nan 8.230 nan 0.000 0.429 180 N N 2.968 121.602 118.700 -0.110 0.000 2.456 180 N HA 0.240 4.975 4.740 -0.009 0.000 0.288 180 N C 0.090 175.582 175.510 -0.030 0.000 1.059 180 N CA -0.316 52.668 53.050 -0.110 0.000 0.946 180 N CB 1.780 40.217 38.487 -0.083 0.000 1.150 180 N HN 0.570 nan 8.380 nan 0.000 0.479 181 N N -1.122 117.566 118.700 -0.020 0.000 2.143 181 N HA 0.002 4.737 4.740 -0.009 0.000 0.229 181 N C -0.630 174.913 175.510 0.055 0.000 1.294 181 N CA -0.245 52.808 53.050 0.005 0.000 0.883 181 N CB 0.459 38.923 38.487 -0.038 0.000 1.148 181 N HN 0.526 nan 8.380 nan 0.000 0.511 182 T N -3.511 111.111 114.554 0.112 0.000 2.802 182 T HA 0.794 5.139 4.350 -0.009 0.000 0.311 182 T C -1.163 173.686 174.700 0.249 0.000 1.405 182 T CA -0.675 61.531 62.100 0.177 0.000 1.016 182 T CB 1.485 70.504 68.868 0.252 0.000 1.352 182 T HN 0.251 nan 8.240 nan 0.000 0.498 183 A N 1.299 124.232 122.820 0.187 0.000 2.293 183 A HA 0.761 5.076 4.320 -0.009 0.000 0.302 183 A C 0.430 178.075 177.584 0.102 0.000 1.119 183 A CA -0.888 51.247 52.037 0.163 0.000 0.823 183 A CB 0.618 19.669 19.000 0.084 0.000 1.097 183 A HN 0.966 nan 8.150 nan 0.000 0.491 184 R N 0.489 120.977 120.500 -0.020 0.000 2.401 184 R HA 0.456 4.791 4.340 -0.009 0.000 0.299 184 R C -0.373 175.825 176.300 -0.170 0.000 1.064 184 R CA 0.684 56.587 56.100 -0.327 0.000 1.000 184 R CB 0.237 30.286 30.300 -0.420 0.000 0.973 184 R HN 0.935 nan 8.270 nan 0.000 0.438 185 A N 4.672 127.405 122.820 -0.145 0.000 2.604 185 A HA 0.255 4.570 4.320 -0.009 0.000 0.295 185 A C 0.715 178.204 177.584 -0.158 0.000 1.067 185 A CA -0.814 51.142 52.037 -0.135 0.000 0.683 185 A CB 0.840 19.762 19.000 -0.130 0.000 1.281 185 A HN 0.602 nan 8.150 nan 0.000 0.407 186 I N 0.006 120.491 120.570 -0.141 0.000 2.147 186 I HA -0.227 3.938 4.170 -0.009 0.000 0.245 186 I C 1.397 177.376 176.117 -0.230 0.000 1.059 186 I CA 2.550 63.772 61.300 -0.131 0.000 1.320 186 I CB -1.372 36.566 38.000 -0.103 0.000 1.021 186 I HN 1.002 nan 8.210 nan 0.000 0.415 187 K N -0.198 120.010 120.400 -0.319 0.000 1.804 187 K HA -0.295 4.019 4.320 -0.009 0.000 0.814 187 K C -0.078 176.307 176.600 -0.359 0.000 2.081 187 K CA 1.340 57.316 56.287 -0.518 0.000 1.325 187 K CB -1.252 30.492 32.500 -1.261 0.000 2.487 187 K HN 0.575 nan 8.250 nan 0.000 0.272 188 D N -3.648 116.502 120.400 -0.418 0.000 2.809 188 D HA -0.059 4.576 4.640 -0.009 0.000 0.234 188 D C -0.068 176.138 176.300 -0.157 0.000 1.111 188 D CA 1.509 55.366 54.000 -0.238 0.000 0.726 188 D CB -1.725 38.985 40.800 -0.149 0.000 1.089 188 D HN 0.931 nan 8.370 nan 0.000 0.436 189 G N -0.060 108.641 108.800 -0.166 0.000 2.347 189 G HA2 0.474 4.428 3.960 -0.009 0.000 0.314 189 G HA3 0.474 4.428 3.960 -0.009 0.000 0.314 189 G C 1.241 176.090 174.900 -0.085 0.000 1.126 189 G CA -0.204 44.833 45.100 -0.106 0.000 0.929 189 G HN 0.714 nan 8.290 nan 0.000 0.441 190 S N 1.338 117.005 115.700 -0.055 0.000 2.475 190 S HA -0.279 4.186 4.470 -0.009 0.000 0.263 190 S C 1.458 176.040 174.600 -0.030 0.000 1.079 190 S CA 1.312 59.492 58.200 -0.034 0.000 1.029 190 S CB -1.622 61.566 63.200 -0.020 0.000 0.811 190 S HN 1.551 nan 8.310 nan 0.000 0.489 191 V N -0.525 119.366 119.914 -0.038 0.000 3.032 191 V HA 0.679 4.794 4.120 -0.009 0.000 0.307 191 V C 0.672 176.755 176.094 -0.019 0.000 1.097 191 V CA -0.157 62.128 62.300 -0.026 0.000 1.191 191 V CB 0.375 32.180 31.823 -0.031 0.000 0.964 191 V HN 0.599 nan 8.190 nan 0.000 0.494 192 G N 1.500 110.301 108.800 0.002 0.000 2.690 192 G HA2 0.666 4.621 3.960 -0.009 0.000 0.293 192 G HA3 0.666 4.621 3.960 -0.009 0.000 0.293 192 G C -0.258 174.659 174.900 0.027 0.000 1.399 192 G CA -0.476 44.639 45.100 0.025 0.000 0.890 192 G HN 1.247 nan 8.290 nan 0.000 0.485 193 G N 0.497 109.324 108.800 0.045 0.000 2.527 193 G HA2 0.578 4.532 3.960 -0.009 0.000 0.248 193 G HA3 0.578 4.532 3.960 -0.009 0.000 0.248 193 G C -2.059 172.833 174.900 -0.013 0.000 1.231 193 G CA -0.841 44.274 45.100 0.026 0.000 0.838 193 G HN 0.519 nan 8.290 nan 0.000 0.570 194 P HA 0.177 nan 4.420 nan 0.000 0.274 194 P C 0.615 177.838 177.300 -0.130 0.000 1.237 194 P CA -0.055 63.015 63.100 -0.050 0.000 0.793 194 P CB 0.911 32.599 31.700 -0.021 0.000 0.977 195 G N 1.535 110.222 108.800 -0.188 0.000 2.414 195 G HA2 0.142 4.096 3.960 -0.009 0.000 0.236 195 G HA3 0.142 4.096 3.960 -0.009 0.000 0.236 195 G C 0.832 175.406 174.900 -0.543 0.000 1.293 195 G CA -0.299 44.531 45.100 -0.451 0.000 0.869 195 G HN 0.456 nan 8.290 nan 0.000 0.556 196 M N 0.726 119.910 119.600 -0.693 0.000 2.657 196 M HA 0.174 4.649 4.480 -0.009 0.000 0.262 196 M C 0.177 175.986 176.300 -0.819 0.000 1.213 196 M CA 0.232 55.093 55.300 -0.732 0.000 1.182 196 M CB 0.261 32.412 32.600 -0.749 0.000 1.303 196 M HN 0.669 nan 8.290 nan 0.000 0.501 197 Y N -0.383 119.594 120.300 -0.538 0.000 3.929 197 Y HA -0.261 4.284 4.550 -0.009 0.000 0.225 197 Y C 0.184 175.911 175.900 -0.287 0.000 1.200 197 Y CA -0.137 57.727 58.100 -0.394 0.000 1.791 197 Y CB -3.016 35.148 38.460 -0.493 0.000 1.561 197 Y HN 0.364 nan 8.280 nan 0.000 0.657 198 H N 0.672 119.711 119.070 -0.053 0.000 2.509 198 H HA 0.698 5.248 4.556 -0.009 0.000 0.359 198 H C 0.399 175.733 175.328 0.010 0.000 1.253 198 H CA -0.599 55.439 56.048 -0.015 0.000 1.373 198 H CB 1.128 30.862 29.762 -0.046 0.000 1.555 198 H HN 0.323 nan 8.280 nan 0.000 0.586 199 R N 0.543 121.155 120.500 0.187 0.000 2.574 199 R HA 0.449 4.783 4.340 -0.009 0.000 0.288 199 R C -2.041 174.327 176.300 0.114 0.000 1.004 199 R CA -0.613 55.559 56.100 0.121 0.000 0.895 199 R CB 1.392 31.769 30.300 0.128 0.000 1.191 199 R HN 0.331 nan 8.270 nan 0.000 0.444 200 V N 5.556 125.527 119.914 0.096 0.000 2.376 200 V HA 0.356 4.471 4.120 -0.009 0.000 0.287 200 V C -0.701 175.454 176.094 0.102 0.000 1.015 200 V CA -0.603 61.770 62.300 0.121 0.000 0.834 200 V CB 1.377 33.287 31.823 0.145 0.000 1.001 200 V HN 0.886 nan 8.190 nan 0.000 0.428 201 D N 2.670 123.122 120.400 0.086 0.000 2.596 201 D HA 0.293 4.928 4.640 -0.009 0.000 0.234 201 D C 0.003 176.250 176.300 -0.088 0.000 1.181 201 D CA -0.684 53.300 54.000 -0.027 0.000 0.856 201 D CB 1.283 42.092 40.800 0.014 0.000 1.498 201 D HN 0.561 nan 8.370 nan 0.000 0.446 202 H N -1.609 117.347 119.070 -0.189 0.000 2.655 202 H HA -0.160 4.391 4.556 -0.009 0.000 0.313 202 H C -0.348 174.792 175.328 -0.314 0.000 1.141 202 H CA 0.604 56.424 56.048 -0.379 0.000 1.138 202 H CB -1.858 27.334 29.762 -0.949 0.000 1.446 202 H HN 0.396 nan 8.280 nan 0.000 0.415 203 C N 0.296 119.541 119.300 -0.091 0.000 2.399 203 C HA 0.598 5.052 4.460 -0.009 0.000 0.348 203 C C 0.672 175.600 174.990 -0.103 0.000 1.183 203 C CA -0.800 58.145 59.018 -0.122 0.000 2.023 203 C CB 1.321 29.035 27.740 -0.044 0.000 2.361 203 C HN 0.428 nan 8.230 nan 0.000 0.521 204 F N 2.095 121.823 119.950 -0.369 0.000 2.467 204 F HA 0.729 5.251 4.527 -0.008 0.000 0.336 204 F C -1.236 174.362 175.800 -0.337 0.000 1.123 204 F CA -1.131 56.748 58.000 -0.202 0.000 0.964 204 F CB 0.512 39.548 39.000 0.059 0.000 1.136 204 F HN 0.475 nan 8.300 nan 0.000 0.447 205 F N 3.905 123.386 119.950 -0.781 0.000 2.507 205 F HA 0.535 5.056 4.527 -0.009 0.000 0.328 205 F C -0.136 175.296 175.800 -0.612 0.000 1.136 205 F CA -0.803 56.901 58.000 -0.493 0.000 0.930 205 F CB 2.071 40.888 39.000 -0.305 0.000 1.166 205 F HN 0.376 nan 8.300 nan 0.000 0.436 206 S N 4.305 119.861 115.700 -0.241 0.000 2.680 206 S HA 0.507 4.972 4.470 -0.009 0.000 0.262 206 S C -1.612 173.016 174.600 0.047 0.000 1.138 206 S CA -0.563 57.581 58.200 -0.094 0.000 1.072 206 S CB 0.215 63.318 63.200 -0.162 0.000 1.097 206 S HN 0.658 nan 8.310 nan 0.000 0.468 207 N N 4.602 123.308 118.700 0.011 0.000 2.277 207 N HA 0.515 5.250 4.740 -0.009 0.000 0.286 207 N C -3.163 171.985 175.510 -0.603 0.000 1.140 207 N CA -1.260 51.655 53.050 -0.226 0.000 0.799 207 N CB 2.583 40.974 38.487 -0.160 0.000 1.596 207 N HN 0.368 nan 8.380 nan 0.000 0.473 208 P HA -0.025 nan 4.420 nan 0.000 0.269 208 P C -0.657 176.364 177.300 -0.465 0.000 1.215 208 P CA -0.051 62.328 63.100 -1.202 0.000 0.780 208 P CB 1.104 32.161 31.700 -1.071 0.000 0.898 209 Q N 2.242 121.899 119.800 -0.239 0.000 2.297 209 Q HA 0.098 4.432 4.340 -0.009 0.000 0.267 209 Q C -0.466 175.580 176.000 0.076 0.000 1.006 209 Q CA 0.160 55.926 55.803 -0.062 0.000 0.896 209 Q CB 0.303 29.004 28.738 -0.061 0.000 1.186 209 Q HN 0.289 nan 8.270 nan 0.000 0.392 210 K N 4.597 125.000 120.400 0.005 0.000 2.123 210 K HA 0.525 4.839 4.320 -0.009 0.000 0.248 210 K C -2.345 174.218 176.600 -0.063 0.000 0.969 210 K CA -1.976 54.265 56.287 -0.077 0.000 0.882 210 K CB 1.146 33.497 32.500 -0.249 0.000 1.080 210 K HN 0.567 nan 8.250 nan 0.000 0.441 211 P HA 0.066 nan 4.420 nan 0.000 0.279 211 P C 0.316 177.664 177.300 0.080 0.000 1.239 211 P CA 0.251 63.366 63.100 0.024 0.000 0.789 211 P CB 0.936 32.658 31.700 0.037 0.000 0.933 212 G N 4.565 113.394 108.800 0.048 0.000 2.575 212 G HA2 -0.286 3.668 3.960 -0.009 0.000 0.267 212 G HA3 -0.286 3.668 3.960 -0.009 0.000 0.267 212 G C -0.241 174.687 174.900 0.047 0.000 1.264 212 G CA -0.047 45.083 45.100 0.049 0.000 0.935 212 G HN 0.664 nan 8.290 nan 0.000 0.568 213 N N 1.598 120.329 118.700 0.052 0.000 3.245 213 N HA 0.506 5.241 4.740 -0.009 0.000 0.296 213 N C 1.017 176.584 175.510 0.096 0.000 1.254 213 N CA 0.678 53.752 53.050 0.039 0.000 1.190 213 N CB 0.831 39.331 38.487 0.023 0.000 1.460 213 N HN 0.943 nan 8.380 nan 0.000 0.538 214 A N 1.077 123.970 122.820 0.122 0.000 2.259 214 A HA 0.468 4.782 4.320 -0.009 0.000 0.208 214 A C 1.056 178.705 177.584 0.109 0.000 1.201 214 A CA 0.193 52.376 52.037 0.244 0.000 0.824 214 A CB -0.484 18.584 19.000 0.114 0.000 0.838 214 A HN 0.507 nan 8.150 nan 0.000 0.485 215 G N -1.933 106.877 108.800 0.015 0.000 3.322 215 G HA2 0.313 4.268 3.960 -0.009 0.000 0.686 215 G HA3 0.313 4.268 3.960 -0.009 0.000 0.686 215 G C 0.305 175.147 174.900 -0.096 0.000 1.015 215 G CA -0.244 44.823 45.100 -0.055 0.000 0.826 215 G HN 1.102 nan 8.290 nan 0.000 0.538 216 G N 0.814 109.549 108.800 -0.108 0.000 3.182 216 G HA2 0.753 4.708 3.960 -0.009 0.000 0.167 216 G HA3 0.753 4.708 3.960 -0.009 0.000 0.167 216 G C 1.443 176.268 174.900 -0.125 0.000 1.537 216 G CA 0.779 45.811 45.100 -0.113 0.000 1.046 216 G HN 1.662 nan 8.290 nan 0.000 0.580 217 G N -0.608 108.117 108.800 -0.125 0.000 2.473 217 G HA2 0.288 4.243 3.960 -0.009 0.000 0.212 217 G HA3 0.288 4.243 3.960 -0.009 0.000 0.212 217 G C 0.398 175.188 174.900 -0.184 0.000 1.211 217 G CA 0.307 45.323 45.100 -0.141 0.000 0.813 217 G HN 0.428 nan 8.290 nan 0.000 0.541 218 I N -0.420 120.045 120.570 -0.175 0.000 2.582 218 I HA 0.460 4.625 4.170 -0.009 0.000 0.292 218 I C -0.621 175.433 176.117 -0.106 0.000 1.066 218 I CA -0.857 60.366 61.300 -0.129 0.000 1.053 218 I CB 2.744 40.702 38.000 -0.069 0.000 1.241 218 I HN 0.049 nan 8.210 nan 0.000 0.421 219 R N 6.420 126.850 120.500 -0.117 0.000 2.599 219 R HA 0.747 5.082 4.340 -0.009 0.000 0.295 219 R C -1.810 174.415 176.300 -0.126 0.000 0.963 219 R CA -0.526 55.497 56.100 -0.128 0.000 0.883 219 R CB 1.724 31.919 30.300 -0.176 0.000 1.171 219 R HN 0.658 nan 8.270 nan 0.000 0.450 220 I N 4.865 125.377 120.570 -0.097 0.000 2.448 220 I HA 0.430 4.595 4.170 -0.009 0.000 0.281 220 I C 0.344 176.383 176.117 -0.130 0.000 1.027 220 I CA -0.321 60.926 61.300 -0.088 0.000 1.111 220 I CB 1.661 39.658 38.000 -0.005 0.000 1.236 220 I HN 1.033 nan 8.210 nan 0.000 0.452 221 G N 4.382 113.057 108.800 -0.208 0.000 2.725 221 G HA2 -0.292 3.662 3.960 -0.009 0.000 0.220 221 G HA3 -0.292 3.662 3.960 -0.009 0.000 0.220 221 G C -0.545 174.162 174.900 -0.322 0.000 1.357 221 G CA 0.099 45.078 45.100 -0.202 0.000 0.866 221 G HN 0.603 nan 8.290 nan 0.000 0.548 222 Y N -1.494 118.671 120.300 -0.225 0.000 2.640 222 Y HA 0.382 4.928 4.550 -0.007 0.000 0.274 222 Y C 0.926 176.256 175.900 -0.950 0.000 1.164 222 Y CA -0.042 57.694 58.100 -0.606 0.000 1.189 222 Y CB 0.899 38.855 38.460 -0.839 0.000 1.333 222 Y HN 0.537 nan 8.280 nan 0.000 0.494 223 Y N -0.384 119.929 120.300 0.021 0.000 2.634 223 Y HA 0.288 4.835 4.550 -0.005 0.000 0.340 223 Y C 1.074 176.921 175.900 -0.088 0.000 1.058 223 Y CA -1.789 56.192 58.100 -0.198 0.000 1.081 223 Y CB 0.630 38.974 38.460 -0.193 0.000 1.295 223 Y HN -0.171 nan 8.280 nan 0.000 0.487 224 R N -0.131 120.401 120.500 0.054 0.000 2.200 224 R HA -0.122 4.213 4.340 -0.009 0.000 0.234 224 R C 0.039 176.386 176.300 0.079 0.000 1.127 224 R CA 1.889 58.048 56.100 0.099 0.000 0.989 224 R CB -0.233 30.138 30.300 0.119 0.000 0.869 224 R HN 0.528 nan 8.270 nan 0.000 0.459 225 N N 0.937 119.682 118.700 0.074 0.000 2.467 225 N HA -0.009 4.726 4.740 -0.009 0.000 0.184 225 N C -0.620 174.918 175.510 0.045 0.000 1.106 225 N CA 0.432 53.511 53.050 0.048 0.000 0.892 225 N CB 0.088 38.589 38.487 0.024 0.000 0.969 225 N HN 0.300 nan 8.380 nan 0.000 0.454 226 D N 0.927 121.366 120.400 0.065 0.000 2.341 226 D HA 0.168 4.803 4.640 -0.009 0.000 0.245 226 D C 0.494 176.789 176.300 -0.009 0.000 1.106 226 D CA 0.012 54.035 54.000 0.037 0.000 0.905 226 D CB 1.584 42.417 40.800 0.055 0.000 1.202 226 D HN -0.098 nan 8.370 nan 0.000 0.426 227 I N 1.277 121.817 120.570 -0.049 0.000 2.377 227 I HA 0.272 4.437 4.170 -0.009 0.000 0.293 227 I C 1.335 177.351 176.117 -0.169 0.000 0.987 227 I CA -0.403 60.837 61.300 -0.100 0.000 1.185 227 I CB 1.149 39.084 38.000 -0.110 0.000 1.341 227 I HN 0.485 nan 8.210 nan 0.000 0.455 228 G N 4.349 113.033 108.800 -0.194 0.000 2.808 228 G HA2 0.045 3.999 3.960 -0.009 0.000 0.210 228 G HA3 0.045 3.999 3.960 -0.009 0.000 0.210 228 G C 0.624 175.295 174.900 -0.382 0.000 1.177 228 G CA -0.277 44.675 45.100 -0.245 0.000 0.853 228 G HN 0.604 nan 8.290 nan 0.000 0.625 229 R N -0.944 119.359 120.500 -0.330 0.000 3.516 229 R HA -0.160 4.175 4.340 -0.009 0.000 0.271 229 R C -0.629 175.486 176.300 -0.309 0.000 1.098 229 R CA 0.173 56.062 56.100 -0.352 0.000 0.732 229 R CB -2.683 27.297 30.300 -0.533 0.000 1.152 229 R HN 0.343 nan 8.270 nan 0.000 0.455 230 C N 0.324 119.476 119.300 -0.246 0.000 2.370 230 C HA 0.602 5.057 4.460 -0.009 0.000 0.354 230 C C 0.448 175.330 174.990 -0.180 0.000 1.218 230 C CA -0.917 57.998 59.018 -0.172 0.000 2.154 230 C CB 1.108 28.772 27.740 -0.127 0.000 2.391 230 C HN 0.393 nan 8.230 nan 0.000 0.540 231 L N 3.501 124.663 121.223 -0.102 0.000 2.296 231 L HA 0.724 5.059 4.340 -0.009 0.000 0.286 231 L C -0.730 176.084 176.870 -0.092 0.000 1.023 231 L CA 0.174 54.953 54.840 -0.103 0.000 0.812 231 L CB 1.243 43.297 42.059 -0.008 0.000 1.223 231 L HN 0.508 nan 8.230 nan 0.000 0.421 232 V N 5.722 125.534 119.914 -0.171 0.000 2.349 232 V HA 0.529 4.644 4.120 -0.009 0.000 0.284 232 V C -0.988 175.136 176.094 0.050 0.000 1.014 232 V CA -0.557 61.714 62.300 -0.048 0.000 0.826 232 V CB 1.203 32.987 31.823 -0.064 0.000 1.009 232 V HN 0.868 nan 8.190 nan 0.000 0.431 233 D N 2.014 122.446 120.400 0.052 0.000 2.661 233 D HA 0.347 4.981 4.640 -0.009 0.000 0.228 233 D C -0.028 176.198 176.300 -0.124 0.000 1.183 233 D CA -0.751 53.269 54.000 0.033 0.000 0.844 233 D CB 2.033 42.911 40.800 0.130 0.000 1.555 233 D HN 0.286 nan 8.370 nan 0.000 0.453 234 S N 0.413 116.001 115.700 -0.187 0.000 3.682 234 S HA -0.163 4.302 4.470 -0.009 0.000 0.354 234 S C -0.339 174.060 174.600 -0.334 0.000 1.034 234 S CA 0.251 58.247 58.200 -0.340 0.000 1.084 234 S CB -1.710 61.101 63.200 -0.649 0.000 0.903 234 S HN 0.622 nan 8.310 nan 0.000 0.470 235 N N 0.546 119.145 118.700 -0.168 0.000 2.466 235 N HA 0.615 5.349 4.740 -0.009 0.000 0.294 235 N C -0.640 174.756 175.510 -0.191 0.000 1.129 235 N CA -0.626 52.328 53.050 -0.160 0.000 0.931 235 N CB 1.507 39.933 38.487 -0.101 0.000 1.193 235 N HN 0.278 nan 8.380 nan 0.000 0.500 236 L N 2.333 123.446 121.223 -0.183 0.000 2.316 236 L HA 0.517 4.851 4.340 -0.009 0.000 0.280 236 L C -1.605 175.141 176.870 -0.206 0.000 1.006 236 L CA -0.395 54.402 54.840 -0.072 0.000 0.836 236 L CB 0.095 42.256 42.059 0.170 0.000 1.221 236 L HN 0.305 nan 8.230 nan 0.000 0.418 237 F N 6.149 126.012 119.950 -0.145 0.000 2.361 237 F HA 0.525 5.046 4.527 -0.009 0.000 0.364 237 F C 0.250 176.000 175.800 -0.084 0.000 1.120 237 F CA -0.370 57.557 58.000 -0.122 0.000 1.102 237 F CB 1.353 40.258 39.000 -0.158 0.000 1.183 237 F HN 0.410 nan 8.300 nan 0.000 0.476 238 M N 4.970 124.560 119.600 -0.018 0.000 2.046 238 M HA 0.422 4.897 4.480 -0.009 0.000 0.309 238 M C -0.195 176.132 176.300 0.046 0.000 0.935 238 M CA -0.279 55.050 55.300 0.047 0.000 0.915 238 M CB 0.514 33.213 32.600 0.166 0.000 1.474 238 M HN 0.742 nan 8.290 nan 0.000 0.415 239 R N 1.821 122.377 120.500 0.092 0.000 3.332 239 R HA -0.169 4.166 4.340 -0.009 0.000 0.263 239 R C -0.632 175.805 176.300 0.228 0.000 1.053 239 R CA 0.443 56.637 56.100 0.157 0.000 0.705 239 R CB -1.711 28.636 30.300 0.078 0.000 1.166 239 R HN 0.745 nan 8.270 nan 0.000 0.427 240 Q N 1.388 121.294 119.800 0.177 0.000 2.402 240 Q HA 0.083 4.418 4.340 -0.009 0.000 0.238 240 Q C -0.179 175.885 176.000 0.106 0.000 1.126 240 Q CA 0.337 56.235 55.803 0.158 0.000 0.904 240 Q CB 0.633 29.526 28.738 0.258 0.000 1.357 240 Q HN 0.136 nan 8.270 nan 0.000 0.491 241 D N 1.619 122.056 120.400 0.062 0.000 2.433 241 D HA 0.081 4.716 4.640 -0.009 0.000 0.211 241 D C 0.836 177.090 176.300 -0.077 0.000 1.114 241 D CA 0.126 54.125 54.000 -0.003 0.000 0.837 241 D CB 0.500 41.304 40.800 0.006 0.000 0.984 241 D HN 0.450 nan 8.370 nan 0.000 0.505 242 S N 1.027 116.667 115.700 -0.100 0.000 2.406 242 S HA -0.242 4.222 4.470 -0.009 0.000 0.242 242 S C 1.025 175.570 174.600 -0.092 0.000 1.079 242 S CA 1.878 60.005 58.200 -0.122 0.000 1.133 242 S CB -0.089 63.035 63.200 -0.128 0.000 1.005 242 S HN 0.687 nan 8.310 nan 0.000 0.443 243 E N -2.413 117.743 120.200 -0.074 0.000 2.394 243 E HA 0.748 5.093 4.350 -0.009 0.000 0.266 243 E C 0.533 177.098 176.600 -0.059 0.000 1.065 243 E CA -0.191 56.173 56.400 -0.060 0.000 0.885 243 E CB 0.194 29.862 29.700 -0.053 0.000 1.659 243 E HN -0.071 nan 8.360 nan 0.000 0.462 244 A N -0.201 122.582 122.820 -0.061 0.000 1.978 244 A HA -0.128 4.187 4.320 -0.009 0.000 0.220 244 A C 0.505 178.039 177.584 -0.084 0.000 1.170 244 A CA 1.456 53.449 52.037 -0.074 0.000 0.636 244 A CB -0.781 18.163 19.000 -0.093 0.000 0.810 244 A HN 0.456 nan 8.150 nan 0.000 0.448 245 E N -0.515 119.631 120.200 -0.091 0.000 2.081 245 E HA 0.404 4.749 4.350 -0.009 0.000 0.276 245 E C 0.238 176.766 176.600 -0.121 0.000 0.950 245 E CA -0.372 55.963 56.400 -0.108 0.000 0.776 245 E CB 1.152 30.779 29.700 -0.121 0.000 1.094 245 E HN 0.438 nan 8.360 nan 0.000 0.402 246 I N 2.605 123.087 120.570 -0.146 0.000 2.202 246 I HA -0.105 4.060 4.170 -0.009 0.000 0.242 246 I C 0.851 176.819 176.117 -0.248 0.000 1.091 246 I CA 1.227 62.414 61.300 -0.188 0.000 1.368 246 I CB 0.176 38.028 38.000 -0.247 0.000 1.058 246 I HN 0.405 nan 8.210 nan 0.000 0.410 247 I N -0.381 120.037 120.570 -0.253 0.000 2.534 247 I HA 0.137 4.301 4.170 -0.009 0.000 0.288 247 I C -0.349 175.665 176.117 -0.171 0.000 1.077 247 I CA -0.274 60.897 61.300 -0.214 0.000 1.051 247 I CB 2.331 40.182 38.000 -0.248 0.000 1.234 247 I HN -0.205 nan 8.210 nan 0.000 0.425 248 T N 4.265 118.740 114.554 -0.131 0.000 3.042 248 T HA 0.205 4.549 4.350 -0.009 0.000 0.356 248 T C -0.268 174.382 174.700 -0.083 0.000 1.233 248 T CA -0.194 61.826 62.100 -0.133 0.000 1.038 248 T CB 0.354 69.125 68.868 -0.161 0.000 1.089 248 T HN 0.513 nan 8.240 nan 0.000 0.531 249 S N 4.516 120.200 115.700 -0.028 0.000 2.405 249 S HA 0.310 4.775 4.470 -0.009 0.000 0.291 249 S C 0.598 175.211 174.600 0.022 0.000 1.137 249 S CA -0.444 57.795 58.200 0.066 0.000 1.061 249 S CB -0.110 63.209 63.200 0.198 0.000 1.001 249 S HN 0.699 nan 8.310 nan 0.000 0.507 250 K N 3.230 123.627 120.400 -0.004 0.000 2.981 250 K HA 0.226 4.540 4.320 -0.009 0.000 0.213 250 K C -0.555 176.061 176.600 0.026 0.000 1.154 250 K CA -0.301 56.002 56.287 0.027 0.000 1.111 250 K CB 0.321 32.827 32.500 0.009 0.000 0.975 250 K HN 0.638 nan 8.250 nan 0.000 0.462 251 S N -1.136 114.578 115.700 0.023 0.000 2.567 251 S HA 0.251 4.716 4.470 -0.009 0.000 0.270 251 S C -0.864 173.727 174.600 -0.016 0.000 1.152 251 S CA -1.209 56.990 58.200 -0.000 0.000 0.835 251 S CB 1.340 64.514 63.200 -0.044 0.000 1.115 251 S HN 0.155 nan 8.310 nan 0.000 0.459 252 Q N 0.720 120.504 119.800 -0.027 0.000 2.394 252 Q HA 0.346 4.680 4.340 -0.009 0.000 0.248 252 Q C -0.465 175.467 176.000 -0.114 0.000 0.992 252 Q CA -0.188 55.589 55.803 -0.044 0.000 0.888 252 Q CB 0.189 28.918 28.738 -0.015 0.000 1.257 252 Q HN 0.796 nan 8.270 nan 0.000 0.462 253 E N 0.620 120.723 120.200 -0.161 0.000 2.269 253 E HA -0.259 4.085 4.350 -0.009 0.000 0.223 253 E C -0.820 175.645 176.600 -0.226 0.000 1.244 253 E CA 0.010 56.253 56.400 -0.261 0.000 0.713 253 E CB -1.098 28.448 29.700 -0.257 0.000 1.178 253 E HN 0.436 nan 8.360 nan 0.000 0.370 254 N N 0.158 118.744 118.700 -0.189 0.000 2.487 254 N HA 0.383 5.118 4.740 -0.009 0.000 0.292 254 N C -0.434 174.953 175.510 -0.204 0.000 1.108 254 N CA -0.350 52.578 53.050 -0.204 0.000 0.956 254 N CB 1.870 40.279 38.487 -0.129 0.000 1.176 254 N HN -0.096 nan 8.380 nan 0.000 0.484 255 V N 2.683 122.420 119.914 -0.295 0.000 2.444 255 V HA 0.321 4.436 4.120 -0.009 0.000 0.294 255 V C -1.163 174.768 176.094 -0.272 0.000 1.022 255 V CA -0.686 61.523 62.300 -0.153 0.000 0.850 255 V CB 0.511 32.288 31.823 -0.077 0.000 0.992 255 V HN 0.485 nan 8.190 nan 0.000 0.426 256 Y N 4.817 125.228 120.300 0.186 0.000 2.417 256 Y HA 0.564 5.108 4.550 -0.009 0.000 0.336 256 Y C -0.463 175.590 175.900 0.254 0.000 0.961 256 Y CA -0.606 57.624 58.100 0.216 0.000 1.215 256 Y CB 1.171 39.777 38.460 0.244 0.000 1.120 256 Y HN 0.679 nan 8.280 nan 0.000 0.499 257 Y N 1.053 121.444 120.300 0.151 0.000 2.391 257 Y HA 0.556 5.101 4.550 -0.009 0.000 0.341 257 Y C 0.707 176.658 175.900 0.085 0.000 0.965 257 Y CA -0.816 57.348 58.100 0.108 0.000 1.067 257 Y CB 1.929 40.427 38.460 0.063 0.000 1.199 257 Y HN 0.762 nan 8.280 nan 0.000 0.450 258 G N 4.000 112.431 108.800 -0.616 0.000 2.305 258 G HA2 -0.305 3.650 3.960 -0.009 0.000 0.287 258 G HA3 -0.305 3.650 3.960 -0.009 0.000 0.287 258 G C -0.681 174.104 174.900 -0.191 0.000 1.036 258 G CA 0.190 44.983 45.100 -0.511 0.000 0.887 258 G HN 0.653 nan 8.290 nan 0.000 0.505 259 N N -0.070 118.581 118.700 -0.081 0.000 2.487 259 N HA 0.514 5.249 4.740 -0.009 0.000 0.292 259 N C -0.274 175.121 175.510 -0.191 0.000 1.108 259 N CA 0.065 53.047 53.050 -0.113 0.000 0.956 259 N CB 1.341 39.800 38.487 -0.047 0.000 1.176 259 N HN 0.098 nan 8.380 nan 0.000 0.484 260 T N 1.926 116.314 114.554 -0.278 0.000 2.792 260 T HA 0.389 4.733 4.350 -0.009 0.000 0.280 260 T C -0.908 173.590 174.700 -0.337 0.000 0.990 260 T CA -0.331 61.649 62.100 -0.199 0.000 0.960 260 T CB 0.224 69.024 68.868 -0.114 0.000 0.939 260 T HN 0.236 nan 8.240 nan 0.000 0.439 261 Y N 3.013 123.275 120.300 -0.063 0.000 2.575 261 Y HA 0.532 5.076 4.550 -0.009 0.000 0.326 261 Y C -0.314 175.593 175.900 0.011 0.000 0.979 261 Y CA -1.178 56.919 58.100 -0.005 0.000 1.286 261 Y CB 0.791 39.182 38.460 -0.115 0.000 1.093 261 Y HN 0.394 nan 8.280 nan 0.000 0.501 262 L N 4.826 126.116 121.223 0.110 0.000 2.272 262 L HA 0.491 4.826 4.340 -0.009 0.000 0.289 262 L C 0.040 176.862 176.870 -0.080 0.000 1.032 262 L CA -0.372 54.479 54.840 0.019 0.000 0.810 262 L CB 0.462 42.532 42.059 0.018 0.000 1.205 262 L HN 0.634 nan 8.230 nan 0.000 0.422 263 N N 2.705 121.204 118.700 -0.334 0.000 2.686 263 N HA -0.220 4.515 4.740 -0.009 0.000 0.261 263 N C -0.920 174.431 175.510 -0.265 0.000 1.001 263 N CA 0.930 53.434 53.050 -0.909 0.000 0.764 263 N CB -1.475 36.616 38.487 -0.658 0.000 0.898 263 N HN 0.523 nan 8.380 nan 0.000 0.544 264 C N 0.785 120.107 119.300 0.037 0.000 2.295 264 C HA 0.226 4.681 4.460 -0.009 0.000 0.331 264 C C 1.244 176.444 174.990 0.350 0.000 1.280 264 C CA -0.780 58.371 59.018 0.222 0.000 1.746 264 C CB 1.171 29.034 27.740 0.206 0.000 2.328 264 C HN 0.321 nan 8.230 nan 0.000 0.521 265 Q N 2.249 122.198 119.800 0.247 0.000 3.026 265 Q HA 0.468 4.803 4.340 -0.009 0.000 0.258 265 Q C 0.595 176.635 176.000 0.068 0.000 1.388 265 Q CA 0.031 55.921 55.803 0.144 0.000 1.000 265 Q CB 0.359 29.078 28.738 -0.033 0.000 1.634 265 Q HN 1.037 nan 8.270 nan 0.000 0.571 266 G N 0.260 109.112 108.800 0.086 0.000 2.321 266 G HA2 0.312 4.267 3.960 -0.009 0.000 0.296 266 G HA3 0.312 4.267 3.960 -0.009 0.000 0.296 266 G C -1.093 173.813 174.900 0.010 0.000 1.287 266 G CA -0.540 44.568 45.100 0.014 0.000 0.846 266 G HN 0.226 nan 8.290 nan 0.000 0.508 267 T N -2.056 112.467 114.554 -0.053 0.000 2.906 267 T HA 0.674 5.018 4.350 -0.009 0.000 0.295 267 T C -0.066 174.523 174.700 -0.184 0.000 1.075 267 T CA -0.750 61.297 62.100 -0.089 0.000 1.005 267 T CB 2.009 70.856 68.868 -0.036 0.000 1.136 267 T HN 0.835 nan 8.240 nan 0.000 0.498 268 M N 3.518 122.930 119.600 -0.312 0.000 2.105 268 M HA 0.363 4.838 4.480 -0.009 0.000 0.350 268 M C -1.338 174.761 176.300 -0.334 0.000 1.308 268 M CA -0.262 54.790 55.300 -0.413 0.000 1.108 268 M CB -0.159 32.067 32.600 -0.623 0.000 1.622 268 M HN 0.657 nan 8.290 nan 0.000 0.468 269 N N 5.714 124.283 118.700 -0.218 0.000 2.370 269 N HA 0.424 5.159 4.740 -0.009 0.000 0.303 269 N C -1.431 174.126 175.510 0.079 0.000 1.103 269 N CA -0.273 52.755 53.050 -0.037 0.000 0.848 269 N CB 1.243 39.847 38.487 0.196 0.000 1.235 269 N HN 0.598 nan 8.380 nan 0.000 0.496 270 F N 1.387 121.355 119.950 0.030 0.000 2.329 270 F HA 0.231 4.753 4.527 -0.009 0.000 0.362 270 F C 1.578 177.470 175.800 0.153 0.000 1.113 270 F CA -0.741 57.243 58.000 -0.025 0.000 1.212 270 F CB 0.998 39.850 39.000 -0.246 0.000 1.509 270 F HN 0.363 nan 8.300 nan 0.000 0.546 271 R N 0.876 121.415 120.500 0.065 0.000 2.055 271 R HA 0.039 4.374 4.340 -0.009 0.000 0.226 271 R C -0.052 175.874 176.300 -0.623 0.000 1.135 271 R CA 1.549 57.324 56.100 -0.542 0.000 0.959 271 R CB 0.031 29.894 30.300 -0.730 0.000 0.854 271 R HN 0.343 nan 8.270 nan 0.000 0.431 272 H N -1.782 117.223 119.070 -0.109 0.000 2.851 272 H HA 0.506 5.058 4.556 -0.007 0.000 0.372 272 H C -0.623 174.729 175.328 0.039 0.000 1.158 272 H CA -0.360 55.660 56.048 -0.047 0.000 1.159 272 H CB 1.842 31.548 29.762 -0.093 0.000 1.757 272 H HN 0.451 nan 8.280 nan 0.000 0.546 273 G N 2.960 111.892 108.800 0.220 0.000 3.209 273 G HA2 -0.134 3.820 3.960 -0.009 0.000 0.686 273 G HA3 -0.134 3.820 3.960 -0.009 0.000 0.686 273 G C -0.879 174.127 174.900 0.176 0.000 1.065 273 G CA -0.816 44.372 45.100 0.148 0.000 0.812 273 G HN 0.522 nan 8.290 nan 0.000 0.573 274 D N 0.621 121.087 120.400 0.110 0.000 2.411 274 D HA 0.422 5.057 4.640 -0.009 0.000 0.251 274 D C 1.112 177.449 176.300 0.061 0.000 1.201 274 D CA 0.627 54.640 54.000 0.022 0.000 0.996 274 D CB 0.303 41.053 40.800 -0.083 0.000 1.101 274 D HN 0.923 nan 8.370 nan 0.000 0.504 275 H N -0.478 118.472 119.070 -0.201 0.000 2.750 275 H HA -0.194 4.357 4.556 -0.009 0.000 0.327 275 H C -0.680 174.628 175.328 -0.034 0.000 1.199 275 H CA 0.005 55.993 56.048 -0.100 0.000 1.149 275 H CB -0.739 28.968 29.762 -0.091 0.000 1.543 275 H HN 0.287 nan 8.280 nan 0.000 0.427 276 Q N 0.564 120.422 119.800 0.097 0.000 2.248 276 Q HA 0.645 4.979 4.340 -0.009 0.000 0.263 276 Q C -0.360 175.484 176.000 -0.261 0.000 1.007 276 Q CA -0.898 54.658 55.803 -0.412 0.000 0.877 276 Q CB 2.959 30.947 28.738 -1.250 0.000 1.315 276 Q HN 0.139 nan 8.270 nan 0.000 0.454 277 V N 0.481 120.344 119.914 -0.086 0.000 2.588 277 V HA 0.739 4.853 4.120 -0.009 0.000 0.304 277 V C -0.993 175.392 176.094 0.484 0.000 1.042 277 V CA -0.757 61.668 62.300 0.208 0.000 0.877 277 V CB 1.664 33.543 31.823 0.094 0.000 0.996 277 V HN 0.821 nan 8.190 nan 0.000 0.425 278 A N 6.203 129.329 122.820 0.510 0.000 2.457 278 A HA 0.876 5.191 4.320 -0.009 0.000 0.283 278 A C -0.998 176.764 177.584 0.296 0.000 1.166 278 A CA -0.288 52.016 52.037 0.446 0.000 0.740 278 A CB 0.583 19.782 19.000 0.332 0.000 1.181 278 A HN 0.742 nan 8.150 nan 0.000 0.446 279 I N 1.958 122.707 120.570 0.297 0.000 2.498 279 I HA 0.350 4.515 4.170 -0.009 0.000 0.290 279 I C 0.445 176.691 176.117 0.214 0.000 1.032 279 I CA -0.748 60.709 61.300 0.262 0.000 1.073 279 I CB 1.835 40.018 38.000 0.305 0.000 1.251 279 I HN 0.786 nan 8.210 nan 0.000 0.426 280 N N 3.989 122.724 118.700 0.059 0.000 2.725 280 N HA -0.177 4.558 4.740 -0.009 0.000 0.251 280 N C -0.856 174.484 175.510 -0.283 0.000 1.031 280 N CA 0.449 53.420 53.050 -0.132 0.000 0.720 280 N CB -0.492 37.981 38.487 -0.023 0.000 0.930 280 N HN 0.647 nan 8.380 nan 0.000 0.543 281 N N 0.086 118.630 118.700 -0.260 0.000 2.492 281 N HA 0.367 5.102 4.740 -0.009 0.000 0.289 281 N C -0.490 174.693 175.510 -0.544 0.000 1.133 281 N CA 0.061 52.949 53.050 -0.271 0.000 0.961 281 N CB 0.498 38.885 38.487 -0.167 0.000 1.186 281 N HN 0.040 nan 8.380 nan 0.000 0.493 282 F N 1.323 121.053 119.950 -0.366 0.000 2.426 282 F HA 0.339 4.861 4.527 -0.009 0.000 0.348 282 F C -0.435 175.136 175.800 -0.382 0.000 1.124 282 F CA -0.655 57.183 58.000 -0.270 0.000 1.008 282 F CB 0.775 39.675 39.000 -0.166 0.000 1.139 282 F HN 0.308 nan 8.300 nan 0.000 0.452 283 Y N 4.663 124.977 120.300 0.024 0.000 2.478 283 Y HA 0.515 5.060 4.550 -0.009 0.000 0.329 283 Y C -0.444 175.543 175.900 0.145 0.000 0.967 283 Y CA -0.894 57.223 58.100 0.027 0.000 1.255 283 Y CB 0.637 38.962 38.460 -0.224 0.000 1.103 283 Y HN 0.237 nan 8.280 nan 0.000 0.497 284 I N 2.623 123.343 120.570 0.251 0.000 2.433 284 I HA 0.535 4.700 4.170 -0.009 0.000 0.292 284 I C 0.401 176.574 176.117 0.094 0.000 1.001 284 I CA -0.898 60.528 61.300 0.210 0.000 1.119 284 I CB 1.752 39.849 38.000 0.161 0.000 1.289 284 I HN 0.705 nan 8.210 nan 0.000 0.438 285 G N 4.424 113.303 108.800 0.130 0.000 2.675 285 G HA2 0.383 4.337 3.960 -0.009 0.000 0.297 285 G HA3 0.383 4.337 3.960 -0.009 0.000 0.297 285 G C 0.021 175.010 174.900 0.148 0.000 1.399 285 G CA -0.627 44.506 45.100 0.055 0.000 0.981 285 G HN 0.820 nan 8.290 nan 0.000 0.519 286 N N 1.135 119.879 118.700 0.075 0.000 2.234 286 N HA 0.169 4.904 4.740 -0.009 0.000 0.227 286 N C -0.564 175.037 175.510 0.152 0.000 1.151 286 N CA -0.504 52.621 53.050 0.127 0.000 0.865 286 N CB 0.708 39.245 38.487 0.083 0.000 1.066 286 N HN 0.475 nan 8.380 nan 0.000 0.515 287 D N -0.778 119.761 120.400 0.231 0.000 2.752 287 D HA 0.082 4.717 4.640 -0.009 0.000 0.313 287 D C -0.239 176.204 176.300 0.239 0.000 1.225 287 D CA -0.660 53.463 54.000 0.205 0.000 0.976 287 D CB 0.699 41.593 40.800 0.157 0.000 1.443 287 D HN -0.041 nan 8.370 nan 0.000 0.515 288 Q N -0.980 118.890 119.800 0.117 0.000 2.188 288 Q HA 0.283 4.617 4.340 -0.009 0.000 0.212 288 Q C 1.314 177.264 176.000 -0.084 0.000 0.846 288 Q CA -0.270 55.553 55.803 0.032 0.000 0.989 288 Q CB 0.825 29.574 28.738 0.020 0.000 1.114 288 Q HN 0.337 nan 8.270 nan 0.000 0.488 289 R N -0.054 120.386 120.500 -0.100 0.000 2.073 289 R HA 0.006 4.341 4.340 -0.009 0.000 0.229 289 R C -0.261 175.565 176.300 -0.790 0.000 1.120 289 R CA 1.204 57.039 56.100 -0.441 0.000 0.967 289 R CB 0.424 30.468 30.300 -0.427 0.000 0.862 289 R HN 0.063 nan 8.270 nan 0.000 0.436 290 F N -2.767 117.008 119.950 -0.291 0.000 2.754 290 F HA 0.426 4.948 4.527 -0.008 0.000 0.320 290 F C 0.304 175.623 175.800 -0.801 0.000 1.156 290 F CA -1.180 56.561 58.000 -0.432 0.000 0.950 290 F CB 0.891 39.715 39.000 -0.294 0.000 1.388 290 F HN -0.165 nan 8.300 nan 0.000 0.485 291 G N 0.103 108.756 108.800 -0.245 0.000 2.370 291 G HA2 0.467 4.422 3.960 -0.009 0.000 0.272 291 G HA3 0.467 4.422 3.960 -0.009 0.000 0.272 291 G C -1.722 173.032 174.900 -0.244 0.000 1.208 291 G CA -0.069 44.890 45.100 -0.234 0.000 0.856 291 G HN 0.473 nan 8.290 nan 0.000 0.500 292 Y N 0.426 120.809 120.300 0.139 0.000 2.549 292 Y HA 0.685 5.229 4.550 -0.009 0.000 0.339 292 Y C 0.851 176.835 175.900 0.140 0.000 1.053 292 Y CA -0.793 57.394 58.100 0.144 0.000 1.105 292 Y CB 2.732 41.290 38.460 0.164 0.000 1.258 292 Y HN 0.751 nan 8.280 nan 0.000 0.478 293 G N -0.632 108.366 108.800 0.330 0.000 2.680 293 G HA2 0.636 4.590 3.960 -0.009 0.000 0.290 293 G HA3 0.636 4.590 3.960 -0.009 0.000 0.290 293 G C -0.742 174.288 174.900 0.216 0.000 1.355 293 G CA -0.563 44.678 45.100 0.236 0.000 0.903 293 G HN 1.076 nan 8.290 nan 0.000 0.474 294 G N -1.010 107.826 108.800 0.060 0.000 2.539 294 G HA2 0.377 4.332 3.960 -0.009 0.000 0.686 294 G HA3 0.377 4.332 3.960 -0.009 0.000 0.686 294 G C -0.910 173.822 174.900 -0.279 0.000 1.258 294 G CA -0.568 44.527 45.100 -0.008 0.000 0.846 294 G HN 0.787 nan 8.290 nan 0.000 0.647 295 M N 0.681 120.175 119.600 -0.176 0.000 2.324 295 M HA 0.547 5.021 4.480 -0.009 0.000 0.288 295 M C -1.347 174.899 176.300 -0.091 0.000 1.097 295 M CA -0.465 54.675 55.300 -0.267 0.000 0.928 295 M CB 2.691 35.047 32.600 -0.406 0.000 1.648 295 M HN 0.506 nan 8.290 nan 0.000 0.460 296 F N 3.167 122.976 119.950 -0.235 0.000 2.449 296 F HA 0.682 5.204 4.527 -0.009 0.000 0.342 296 F C -0.985 174.629 175.800 -0.310 0.000 1.127 296 F CA -0.682 57.133 58.000 -0.310 0.000 0.975 296 F CB 1.137 39.877 39.000 -0.432 0.000 1.146 296 F HN 0.211 nan 8.300 nan 0.000 0.444 297 V N 5.983 125.744 119.914 -0.255 0.000 2.448 297 V HA 0.314 4.429 4.120 -0.009 0.000 0.295 297 V C -0.700 175.423 176.094 0.050 0.000 1.025 297 V CA -0.781 61.492 62.300 -0.043 0.000 0.859 297 V CB 1.297 33.045 31.823 -0.125 0.000 0.988 297 V HN 0.702 nan 8.190 nan 0.000 0.431 298 W N 2.345 123.785 121.300 0.232 0.000 2.647 298 W HA 0.683 5.338 4.660 -0.008 0.000 0.353 298 W C 0.679 177.428 176.519 0.385 0.000 1.080 298 W CA 0.184 57.687 57.345 0.264 0.000 1.208 298 W CB 2.134 31.706 29.460 0.187 0.000 1.396 298 W HN 1.000 nan 8.180 nan 0.000 0.573 299 G N 1.254 110.392 108.800 0.562 0.000 2.796 299 G HA2 -0.051 3.904 3.960 -0.009 0.000 0.571 299 G HA3 -0.051 3.904 3.960 -0.009 0.000 0.571 299 G C -0.559 174.417 174.900 0.127 0.000 1.370 299 G CA -0.266 45.082 45.100 0.413 0.000 0.856 299 G HN 0.910 nan 8.290 nan 0.000 0.538 300 S N -1.341 114.166 115.700 -0.322 0.000 2.745 300 S HA 0.833 5.298 4.470 -0.009 0.000 0.306 300 S C 0.715 174.814 174.600 -0.834 0.000 1.137 300 S CA 0.285 58.067 58.200 -0.697 0.000 0.900 300 S CB 1.957 64.502 63.200 -1.091 0.000 1.176 300 S HN 1.834 nan 8.310 nan 0.000 0.520 301 R N -0.108 120.024 120.500 -0.614 0.000 3.875 301 R HA -0.138 4.197 4.340 -0.009 0.000 0.321 301 R C -0.460 175.705 176.300 -0.225 0.000 1.196 301 R CA 0.929 56.785 56.100 -0.407 0.000 0.868 301 R CB -2.534 27.529 30.300 -0.396 0.000 1.333 301 R HN 0.725 nan 8.270 nan 0.000 0.522 302 H N -0.238 118.839 119.070 0.012 0.000 2.597 302 H HA 0.381 4.932 4.556 -0.009 0.000 0.370 302 H C 0.456 175.866 175.328 0.136 0.000 1.281 302 H CA -0.108 56.009 56.048 0.114 0.000 1.422 302 H CB 0.919 30.827 29.762 0.243 0.000 1.524 302 H HN -0.146 nan 8.280 nan 0.000 0.607 303 V N 3.178 123.297 119.914 0.341 0.000 2.419 303 V HA 0.228 4.343 4.120 -0.009 0.000 0.287 303 V C 0.057 176.320 176.094 0.281 0.000 1.017 303 V CA -0.365 62.080 62.300 0.241 0.000 0.844 303 V CB 0.879 32.816 31.823 0.190 0.000 1.011 303 V HN 0.471 nan 8.190 nan 0.000 0.429 304 I N 4.593 125.301 120.570 0.229 0.000 2.390 304 I HA 0.814 4.979 4.170 -0.009 0.000 0.283 304 I C 0.187 176.397 176.117 0.155 0.000 1.016 304 I CA -0.256 61.164 61.300 0.200 0.000 1.151 304 I CB 1.494 39.582 38.000 0.147 0.000 1.293 304 I HN 0.668 nan 8.210 nan 0.000 0.458 305 A N 3.513 126.423 122.820 0.150 0.000 2.539 305 A HA 0.575 4.890 4.320 -0.009 0.000 0.296 305 A C 0.301 177.940 177.584 0.090 0.000 1.073 305 A CA -0.451 51.656 52.037 0.117 0.000 0.700 305 A CB 1.303 20.370 19.000 0.111 0.000 1.296 305 A HN 0.827 nan 8.150 nan 0.000 0.405 306 C N 0.867 120.204 119.300 0.062 0.000 4.259 306 C HA -0.127 4.328 4.460 -0.009 0.000 0.294 306 C C 0.552 175.493 174.990 -0.081 0.000 1.459 306 C CA 0.451 59.479 59.018 0.017 0.000 2.016 306 C CB -2.996 24.771 27.740 0.046 0.000 1.274 306 C HN 0.743 nan 8.230 nan 0.000 0.792 307 N N -0.126 118.527 118.700 -0.078 0.000 2.524 307 N HA 0.446 5.180 4.740 -0.009 0.000 0.283 307 N C -0.618 174.709 175.510 -0.305 0.000 1.142 307 N CA -0.089 52.828 53.050 -0.222 0.000 0.984 307 N CB 0.944 39.353 38.487 -0.130 0.000 1.155 307 N HN 0.535 nan 8.380 nan 0.000 0.467 308 Y N 1.937 121.871 120.300 -0.610 0.000 2.334 308 Y HA 0.422 4.967 4.550 -0.009 0.000 0.336 308 Y C -1.414 174.266 175.900 -0.367 0.000 0.960 308 Y CA -0.944 56.904 58.100 -0.420 0.000 1.164 308 Y CB 0.351 38.567 38.460 -0.406 0.000 1.155 308 Y HN 0.307 nan 8.280 nan 0.000 0.478 309 F N 4.579 124.248 119.950 -0.468 0.000 2.449 309 F HA 0.420 4.941 4.527 -0.009 0.000 0.342 309 F C -0.169 175.493 175.800 -0.231 0.000 1.127 309 F CA -0.856 57.018 58.000 -0.211 0.000 0.975 309 F CB 1.759 40.579 39.000 -0.301 0.000 1.146 309 F HN 0.477 nan 8.300 nan 0.000 0.444 310 E N 5.203 125.524 120.200 0.201 0.000 2.621 310 E HA 0.421 4.766 4.350 -0.009 0.000 0.263 310 E C -1.930 174.830 176.600 0.266 0.000 1.033 310 E CA -0.291 56.241 56.400 0.220 0.000 0.778 310 E CB 0.774 30.683 29.700 0.348 0.000 1.426 310 E HN 0.660 nan 8.360 nan 0.000 0.394 311 L N 3.740 125.104 121.223 0.235 0.000 2.316 311 L HA 0.287 4.622 4.340 -0.009 0.000 0.280 311 L C 1.416 178.377 176.870 0.152 0.000 1.006 311 L CA -0.471 54.504 54.840 0.225 0.000 0.836 311 L CB 1.628 43.814 42.059 0.212 0.000 1.221 311 L HN 0.532 nan 8.230 nan 0.000 0.418 312 S N 0.940 116.766 115.700 0.210 0.000 2.442 312 S HA 0.008 4.473 4.470 -0.009 0.000 0.236 312 S C 0.564 175.146 174.600 -0.029 0.000 1.007 312 S CA 0.667 58.959 58.200 0.154 0.000 0.965 312 S CB -0.011 63.334 63.200 0.241 0.000 0.773 312 S HN 0.632 nan 8.310 nan 0.000 0.504 313 E N 0.905 121.123 120.200 0.030 0.000 2.335 313 E HA 0.382 4.727 4.350 -0.009 0.000 0.280 313 E C -0.833 175.743 176.600 -0.040 0.000 0.918 313 E CA -0.344 56.009 56.400 -0.078 0.000 0.765 313 E CB 2.147 31.784 29.700 -0.107 0.000 1.218 313 E HN 0.418 nan 8.360 nan 0.000 0.425 314 T N -1.508 112.990 114.554 -0.094 0.000 2.937 314 T HA 0.685 5.030 4.350 -0.009 0.000 0.283 314 T C 0.724 175.432 174.700 0.012 0.000 1.012 314 T CA -0.796 61.289 62.100 -0.025 0.000 0.997 314 T CB 0.737 69.542 68.868 -0.105 0.000 1.136 314 T HN 0.336 nan 8.240 nan 0.000 0.551 315 I N 2.244 122.875 120.570 0.101 0.000 2.363 315 I HA 0.229 4.394 4.170 -0.009 0.000 0.292 315 I C 1.610 177.796 176.117 0.115 0.000 1.075 315 I CA -0.625 60.731 61.300 0.094 0.000 1.333 315 I CB 1.112 39.167 38.000 0.092 0.000 1.415 315 I HN 0.733 nan 8.210 nan 0.000 0.502 316 K N 5.102 125.551 120.400 0.082 0.000 2.032 316 K HA -0.222 4.092 4.320 -0.009 0.000 0.209 316 K C 2.045 178.706 176.600 0.103 0.000 1.048 316 K CA 2.438 58.786 56.287 0.101 0.000 0.927 316 K CB -0.372 32.175 32.500 0.078 0.000 0.712 316 K HN 0.666 nan 8.250 nan 0.000 0.441 317 S N -0.260 115.478 115.700 0.064 0.000 2.419 317 S HA -0.113 4.352 4.470 -0.009 0.000 0.235 317 S C 1.741 176.360 174.600 0.032 0.000 1.019 317 S CA 0.751 58.974 58.200 0.039 0.000 0.982 317 S CB -0.285 62.919 63.200 0.008 0.000 0.789 317 S HN 0.272 nan 8.310 nan 0.000 0.490 318 R N 0.681 121.201 120.500 0.032 0.000 2.290 318 R HA 0.323 4.657 4.340 -0.009 0.000 0.197 318 R C 1.622 178.051 176.300 0.215 0.000 0.913 318 R CA 0.724 56.818 56.100 -0.010 0.000 1.040 318 R CB -0.129 29.969 30.300 -0.335 0.000 0.992 318 R HN 0.662 nan 8.270 nan 0.000 0.500 319 G N 0.817 109.811 108.800 0.323 0.000 2.227 319 G HA2 -0.195 3.759 3.960 -0.009 0.000 0.168 319 G HA3 -0.195 3.759 3.960 -0.009 0.000 0.168 319 G C -0.262 174.917 174.900 0.465 0.000 1.006 319 G CA -0.337 45.023 45.100 0.433 0.000 0.684 319 G HN 0.180 nan 8.290 nan 0.000 0.489 320 N N -0.320 118.577 118.700 0.328 0.000 2.648 320 N HA 0.007 4.742 4.740 -0.009 0.000 0.265 320 N C 0.132 175.552 175.510 -0.150 0.000 1.100 320 N CA 1.618 54.692 53.050 0.039 0.000 0.715 320 N CB -1.207 37.218 38.487 -0.104 0.000 0.881 320 N HN 1.941 nan 8.380 nan 0.000 0.548 321 A N -0.726 121.954 122.820 -0.233 0.000 2.583 321 A HA 0.904 5.219 4.320 -0.009 0.000 0.289 321 A C 0.535 177.821 177.584 -0.498 0.000 1.151 321 A CA 0.124 51.855 52.037 -0.510 0.000 0.695 321 A CB 0.738 19.278 19.000 -0.766 0.000 1.290 321 A HN 0.328 nan 8.150 nan 0.000 0.419 322 A N -0.644 121.936 122.820 -0.400 0.000 1.887 322 A HA 0.498 4.813 4.320 -0.009 0.000 0.210 322 A C 0.488 177.815 177.584 -0.428 0.000 1.221 322 A CA 1.287 53.169 52.037 -0.258 0.000 0.635 322 A CB -0.299 18.589 19.000 -0.187 0.000 0.881 322 A HN 1.469 nan 8.150 nan 0.000 0.456 323 L N 0.243 121.126 121.223 -0.565 0.000 2.319 323 L HA 0.605 4.939 4.340 -0.009 0.000 0.281 323 L C -1.962 174.556 176.870 -0.586 0.000 1.005 323 L CA -0.891 53.650 54.840 -0.500 0.000 0.828 323 L CB 1.094 42.888 42.059 -0.441 0.000 1.227 323 L HN 0.281 nan 8.230 nan 0.000 0.415 324 Y N 5.594 125.558 120.300 -0.560 0.000 2.331 324 Y HA 0.543 5.088 4.550 -0.009 0.000 0.338 324 Y C -0.343 174.992 175.900 -0.943 0.000 0.976 324 Y CA -0.724 56.871 58.100 -0.840 0.000 1.137 324 Y CB 1.282 38.913 38.460 -1.382 0.000 1.172 324 Y HN 0.385 nan 8.280 nan 0.000 0.478 325 L N 3.855 124.720 121.223 -0.596 0.000 2.262 325 L HA 0.328 4.663 4.340 -0.009 0.000 0.288 325 L C -0.095 176.527 176.870 -0.414 0.000 1.035 325 L CA -0.708 53.859 54.840 -0.455 0.000 0.820 325 L CB 0.869 42.720 42.059 -0.347 0.000 1.204 325 L HN 0.625 nan 8.230 nan 0.000 0.424 326 N N 5.976 124.411 118.700 -0.441 0.000 2.440 326 N HA 0.098 4.833 4.740 -0.009 0.000 0.265 326 N C -2.365 173.087 175.510 -0.097 0.000 1.239 326 N CA -0.639 52.233 53.050 -0.297 0.000 0.909 326 N CB 0.735 38.951 38.487 -0.453 0.000 1.066 326 N HN 0.259 nan 8.380 nan 0.000 0.474 327 P HA 0.453 nan 4.420 nan 0.000 0.284 327 P C -0.197 177.118 177.300 0.024 0.000 1.258 327 P CA -0.260 62.787 63.100 -0.089 0.000 0.824 327 P CB 1.821 33.497 31.700 -0.039 0.000 1.038 328 G N 0.314 109.026 108.800 -0.147 0.000 2.351 328 G HA2 0.423 4.378 3.960 -0.009 0.000 0.279 328 G HA3 0.423 4.378 3.960 -0.009 0.000 0.279 328 G C -1.695 173.230 174.900 0.042 0.000 1.297 328 G CA -0.131 45.042 45.100 0.122 0.000 0.886 328 G HN 0.520 nan 8.290 nan 0.000 0.493 329 A N 0.096 123.041 122.820 0.209 0.000 2.328 329 A HA 0.673 4.988 4.320 -0.009 0.000 0.284 329 A C 0.579 178.247 177.584 0.139 0.000 1.160 329 A CA -0.056 52.069 52.037 0.147 0.000 0.818 329 A CB 0.597 19.719 19.000 0.203 0.000 1.087 329 A HN 1.170 nan 8.150 nan 0.000 0.504 330 M N 3.056 122.687 119.600 0.051 0.000 2.260 330 M HA 0.305 4.780 4.480 -0.009 0.000 0.348 330 M C 1.049 177.439 176.300 0.151 0.000 1.342 330 M CA 1.403 56.748 55.300 0.074 0.000 1.040 330 M CB 0.034 32.601 32.600 -0.054 0.000 1.810 330 M HN 1.859 nan 8.290 nan 0.000 0.453 331 A N 2.935 125.887 122.820 0.220 0.000 2.799 331 A HA -0.187 4.128 4.320 -0.009 0.000 0.287 331 A C 0.450 178.140 177.584 0.177 0.000 1.484 331 A CA 1.158 53.313 52.037 0.197 0.000 0.813 331 A CB -2.595 16.497 19.000 0.153 0.000 1.009 331 A HN 1.070 nan 8.150 nan 0.000 0.545 332 S N -1.692 114.140 115.700 0.219 0.000 2.690 332 S HA 0.599 5.063 4.470 -0.009 0.000 0.285 332 S C 0.910 175.655 174.600 0.241 0.000 1.135 332 S CA 0.347 58.684 58.200 0.230 0.000 1.020 332 S CB 0.959 64.339 63.200 0.300 0.000 1.159 332 S HN 0.819 nan 8.310 nan 0.000 0.534 333 E N 0.152 120.501 120.200 0.249 0.000 2.204 333 E HA -0.160 4.184 4.350 -0.009 0.000 0.195 333 E C 0.114 176.660 176.600 -0.091 0.000 0.990 333 E CA 1.367 57.849 56.400 0.136 0.000 0.821 333 E CB -0.111 29.690 29.700 0.168 0.000 0.750 333 E HN 0.671 nan 8.360 nan 0.000 0.477 334 H N -0.220 118.984 119.070 0.225 0.000 2.336 334 H HA 0.434 4.985 4.556 -0.009 0.000 0.230 334 H C -0.886 174.719 175.328 0.462 0.000 1.426 334 H CA -0.098 56.125 56.048 0.292 0.000 1.359 334 H CB 0.221 30.073 29.762 0.151 0.000 1.555 334 H HN 0.179 nan 8.280 nan 0.000 0.512 335 A N 2.147 125.271 122.820 0.505 0.000 2.567 335 A HA 0.027 4.342 4.320 -0.009 0.000 0.240 335 A C 0.651 178.502 177.584 0.446 0.000 1.053 335 A CA -0.272 52.028 52.037 0.439 0.000 0.755 335 A CB -0.031 19.201 19.000 0.387 0.000 0.978 335 A HN 0.575 nan 8.150 nan 0.000 0.507 336 L N 2.889 124.302 121.223 0.318 0.000 2.543 336 L HA 0.352 4.687 4.340 -0.009 0.000 0.285 336 L C 0.659 177.743 176.870 0.357 0.000 1.236 336 L CA 0.933 55.915 54.840 0.236 0.000 0.871 336 L CB 0.322 42.434 42.059 0.088 0.000 1.121 336 L HN 0.824 nan 8.230 nan 0.000 0.501 337 A N 6.397 129.366 122.820 0.248 0.000 2.252 337 A HA 0.647 4.962 4.320 -0.009 0.000 0.309 337 A C -0.762 176.984 177.584 0.270 0.000 1.285 337 A CA -0.303 51.876 52.037 0.236 0.000 0.900 337 A CB -0.502 18.551 19.000 0.088 0.000 1.157 337 A HN 0.843 nan 8.150 nan 0.000 0.536 338 F N -0.125 119.790 119.950 -0.059 0.000 2.779 338 F HA 0.616 5.137 4.527 -0.009 0.000 0.316 338 F C -0.443 175.240 175.800 -0.195 0.000 1.164 338 F CA -1.079 56.798 58.000 -0.205 0.000 0.924 338 F CB 0.523 39.269 39.000 -0.423 0.000 1.348 338 F HN 0.557 nan 8.300 nan 0.000 0.467 339 D N 1.609 121.783 120.400 -0.377 0.000 2.904 339 D HA -0.165 4.470 4.640 -0.009 0.000 0.231 339 D C -0.893 175.197 176.300 -0.350 0.000 1.185 339 D CA 1.840 55.593 54.000 -0.413 0.000 0.783 339 D CB -0.506 39.916 40.800 -0.631 0.000 0.961 339 D HN 0.965 nan 8.370 nan 0.000 0.409 340 M N -0.668 118.818 119.600 -0.189 0.000 2.683 340 M HA 0.609 5.083 4.480 -0.009 0.000 0.274 340 M C -1.680 174.593 176.300 -0.044 0.000 1.272 340 M CA -1.454 53.786 55.300 -0.100 0.000 0.833 340 M CB 1.475 34.071 32.600 -0.007 0.000 1.708 340 M HN 0.015 nan 8.290 nan 0.000 0.463 341 L N 2.433 123.662 121.223 0.010 0.000 2.272 341 L HA 0.641 4.976 4.340 -0.009 0.000 0.289 341 L C -1.569 175.331 176.870 0.049 0.000 1.032 341 L CA -0.330 54.521 54.840 0.018 0.000 0.810 341 L CB 1.042 43.120 42.059 0.032 0.000 1.205 341 L HN 0.715 nan 8.230 nan 0.000 0.422 342 I N 6.125 126.707 120.570 0.019 0.000 2.428 342 I HA 0.604 4.769 4.170 -0.009 0.000 0.279 342 I C -0.237 175.919 176.117 0.064 0.000 1.040 342 I CA -0.306 61.022 61.300 0.047 0.000 1.171 342 I CB 1.078 39.081 38.000 0.004 0.000 1.312 342 I HN 0.767 nan 8.210 nan 0.000 0.470 343 A N 4.254 127.127 122.820 0.089 0.000 2.401 343 A HA 0.603 4.918 4.320 -0.009 0.000 0.310 343 A C 0.428 178.076 177.584 0.107 0.000 1.075 343 A CA -0.574 51.521 52.037 0.096 0.000 0.746 343 A CB 0.925 19.972 19.000 0.078 0.000 1.277 343 A HN 0.701 nan 8.150 nan 0.000 0.425 344 N N 0.809 119.584 118.700 0.126 0.000 2.696 344 N HA -0.149 4.586 4.740 -0.009 0.000 0.249 344 N C -0.382 175.188 175.510 0.100 0.000 1.090 344 N CA 1.177 54.312 53.050 0.141 0.000 0.716 344 N CB -1.162 37.391 38.487 0.109 0.000 1.020 344 N HN 0.749 nan 8.380 nan 0.000 0.548 345 N N 0.401 119.138 118.700 0.063 0.000 2.493 345 N HA 0.545 5.279 4.740 -0.009 0.000 0.275 345 N C 0.102 175.498 175.510 -0.190 0.000 1.186 345 N CA -0.047 52.971 53.050 -0.053 0.000 0.978 345 N CB 1.434 39.905 38.487 -0.026 0.000 1.184 345 N HN 0.250 nan 8.380 nan 0.000 0.487 346 A N 1.328 123.940 122.820 -0.345 0.000 2.330 346 A HA 0.648 4.962 4.320 -0.009 0.000 0.313 346 A C -1.390 175.826 177.584 -0.612 0.000 1.124 346 A CA -0.602 51.205 52.037 -0.384 0.000 0.774 346 A CB 0.203 19.073 19.000 -0.217 0.000 1.198 346 A HN 0.524 nan 8.150 nan 0.000 0.465 347 F N 3.832 123.579 119.950 -0.337 0.000 2.359 347 F HA 0.417 4.939 4.527 -0.009 0.000 0.369 347 F C -0.166 175.570 175.800 -0.105 0.000 1.084 347 F CA -0.755 57.128 58.000 -0.194 0.000 1.096 347 F CB 1.230 40.126 39.000 -0.174 0.000 1.335 347 F HN 0.285 nan 8.300 nan 0.000 0.457 348 I N 3.748 124.302 120.570 -0.027 0.000 2.330 348 I HA 0.202 4.367 4.170 -0.009 0.000 0.289 348 I C 0.324 176.561 176.117 0.200 0.000 1.001 348 I CA -0.743 60.631 61.300 0.122 0.000 1.193 348 I CB 0.815 38.844 38.000 0.048 0.000 1.345 348 I HN 0.532 nan 8.210 nan 0.000 0.461 349 N N 3.677 122.516 118.700 0.232 0.000 2.699 349 N HA -0.146 4.589 4.740 -0.009 0.000 0.256 349 N C -0.457 175.271 175.510 0.363 0.000 0.993 349 N CA 0.411 53.618 53.050 0.262 0.000 0.759 349 N CB -0.626 37.997 38.487 0.226 0.000 0.906 349 N HN 0.335 nan 8.380 nan 0.000 0.541 350 V N 1.384 121.459 119.914 0.269 0.000 2.488 350 V HA 0.071 4.185 4.120 -0.009 0.000 0.277 350 V C 1.112 177.187 176.094 -0.032 0.000 1.046 350 V CA -0.589 61.792 62.300 0.136 0.000 0.986 350 V CB 1.482 33.379 31.823 0.125 0.000 0.989 350 V HN 0.305 nan 8.190 nan 0.000 0.475 351 N N 4.340 122.824 118.700 -0.359 0.000 3.124 351 N HA 0.460 5.194 4.740 -0.009 0.000 0.284 351 N C 0.049 175.181 175.510 -0.630 0.000 1.209 351 N CA 0.871 53.457 53.050 -0.774 0.000 1.149 351 N CB 0.056 37.805 38.487 -1.229 0.000 1.434 351 N HN 0.966 nan 8.380 nan 0.000 0.529 352 G N 0.503 108.861 108.800 -0.736 0.000 2.327 352 G HA2 0.093 4.047 3.960 -0.009 0.000 0.291 352 G HA3 0.093 4.047 3.960 -0.009 0.000 0.291 352 G C -1.678 172.755 174.900 -0.779 0.000 1.290 352 G CA -0.979 43.264 45.100 -1.429 0.000 0.857 352 G HN 0.156 nan 8.290 nan 0.000 0.520 353 Y N 0.791 120.805 120.300 -0.476 0.000 2.411 353 Y HA 0.409 4.954 4.550 -0.009 0.000 0.333 353 Y C 1.815 177.552 175.900 -0.272 0.000 1.186 353 Y CA 0.566 58.513 58.100 -0.256 0.000 1.381 353 Y CB 1.387 39.718 38.460 -0.214 0.000 1.273 353 Y HN 0.743 nan 8.280 nan 0.000 0.546 354 A N 3.481 126.243 122.820 -0.096 0.000 1.898 354 A HA 0.056 4.371 4.320 -0.009 0.000 0.216 354 A C 0.520 177.841 177.584 -0.439 0.000 1.181 354 A CA 1.215 53.083 52.037 -0.282 0.000 0.620 354 A CB -0.273 18.485 19.000 -0.403 0.000 0.819 354 A HN 0.677 nan 8.150 nan 0.000 0.442 355 I N -1.085 119.353 120.570 -0.219 0.000 2.534 355 I HA 0.255 4.419 4.170 -0.009 0.000 0.288 355 I C -1.007 174.977 176.117 -0.222 0.000 1.077 355 I CA -0.633 60.488 61.300 -0.297 0.000 1.051 355 I CB 1.962 39.767 38.000 -0.325 0.000 1.234 355 I HN 0.205 nan 8.210 nan 0.000 0.425 356 H N 6.273 125.050 119.070 -0.488 0.000 2.504 356 H HA 0.354 4.905 4.556 -0.008 0.000 0.322 356 H C -0.470 174.624 175.328 -0.389 0.000 1.055 356 H CA -0.520 55.312 56.048 -0.360 0.000 1.231 356 H CB 1.161 30.701 29.762 -0.370 0.000 1.417 356 H HN 0.464 nan 8.280 nan 0.000 0.472 357 F N 2.898 122.935 119.950 0.146 0.000 2.765 357 F HA 0.067 4.589 4.527 -0.009 0.000 0.302 357 F C 1.011 176.893 175.800 0.136 0.000 1.111 357 F CA 0.091 58.151 58.000 0.100 0.000 1.359 357 F CB 0.325 39.377 39.000 0.087 0.000 1.097 357 F HN 0.549 nan 8.300 nan 0.000 0.577 358 N N -0.897 118.066 118.700 0.438 0.000 2.605 358 N HA 0.101 4.836 4.740 -0.009 0.000 0.265 358 N C -3.409 172.151 175.510 0.084 0.000 1.625 358 N CA -0.911 52.290 53.050 0.252 0.000 0.862 358 N CB 0.141 38.870 38.487 0.403 0.000 1.415 358 N HN -0.047 nan 8.380 nan 0.000 0.513 359 P HA 0.115 nan 4.420 nan 0.000 0.271 359 P C 0.957 178.231 177.300 -0.043 0.000 1.216 359 P CA 0.008 62.826 63.100 -0.469 0.000 0.776 359 P CB 1.173 32.583 31.700 -0.484 0.000 0.881 360 L N 0.072 121.306 121.223 0.018 0.000 4.001 360 L HA -0.273 4.062 4.340 -0.009 0.000 0.413 360 L C 1.474 178.390 176.870 0.077 0.000 1.185 360 L CA 0.883 55.754 54.840 0.052 0.000 0.963 360 L CB -1.777 40.302 42.059 0.034 0.000 1.976 360 L HN 0.489 nan 8.230 nan 0.000 0.939 361 D N 0.764 121.244 120.400 0.134 0.000 2.178 361 D HA -0.246 4.389 4.640 -0.009 0.000 0.201 361 D C 1.533 177.850 176.300 0.029 0.000 0.980 361 D CA 1.611 55.724 54.000 0.188 0.000 0.842 361 D CB -0.021 40.993 40.800 0.357 0.000 0.948 361 D HN 0.773 nan 8.370 nan 0.000 0.472 362 E N 1.145 121.369 120.200 0.040 0.000 2.058 362 E HA -0.238 4.107 4.350 -0.009 0.000 0.194 362 E C 2.282 178.858 176.600 -0.040 0.000 0.997 362 E CA 0.950 57.342 56.400 -0.013 0.000 0.801 362 E CB 0.025 29.738 29.700 0.021 0.000 0.746 362 E HN 0.232 nan 8.360 nan 0.000 0.450 363 R N -0.207 120.285 120.500 -0.013 0.000 2.075 363 R HA -0.004 4.331 4.340 -0.009 0.000 0.232 363 R C 2.628 178.932 176.300 0.006 0.000 1.126 363 R CA 1.051 57.144 56.100 -0.011 0.000 0.963 363 R CB -0.203 30.077 30.300 -0.033 0.000 0.858 363 R HN 0.105 nan 8.270 nan 0.000 0.435 364 R N 1.109 121.615 120.500 0.010 0.000 2.096 364 R HA -0.104 4.230 4.340 -0.009 0.000 0.235 364 R C 2.064 178.407 176.300 0.071 0.000 1.127 364 R CA 1.158 57.328 56.100 0.117 0.000 0.968 364 R CB -0.314 30.144 30.300 0.264 0.000 0.861 364 R HN 0.238 nan 8.270 nan 0.000 0.440 365 K N 0.750 120.961 120.400 -0.315 0.000 2.097 365 K HA -0.178 4.137 4.320 -0.009 0.000 0.205 365 K C 1.904 178.398 176.600 -0.176 0.000 1.050 365 K CA 1.395 57.323 56.287 -0.599 0.000 0.938 365 K CB 0.090 32.076 32.500 -0.856 0.000 0.718 365 K HN -0.090 nan 8.250 nan 0.000 0.442 366 E N -0.119 120.035 120.200 -0.077 0.000 2.107 366 E HA -0.195 4.150 4.350 -0.009 0.000 0.191 366 E C 1.727 178.362 176.600 0.059 0.000 0.982 366 E CA 1.118 57.513 56.400 -0.009 0.000 0.809 366 E CB -0.385 29.318 29.700 0.005 0.000 0.756 366 E HN 0.374 nan 8.360 nan 0.000 0.459 367 Y N 0.114 120.412 120.300 -0.004 0.000 2.128 367 Y HA -0.286 4.259 4.550 -0.008 0.000 0.284 367 Y C 2.267 178.211 175.900 0.073 0.000 1.154 367 Y CA 1.971 60.100 58.100 0.048 0.000 1.149 367 Y CB -0.674 37.831 38.460 0.073 0.000 0.976 367 Y HN 0.168 nan 8.280 nan 0.000 0.505 368 C N 0.309 119.673 119.300 0.108 0.000 2.429 368 C HA -0.116 4.339 4.460 -0.009 0.000 0.277 368 C C 3.069 178.039 174.990 -0.035 0.000 1.262 368 C CA 1.111 60.153 59.018 0.041 0.000 1.733 368 C CB -1.813 26.061 27.740 0.224 0.000 2.010 368 C HN 0.743 nan 8.230 nan 0.000 0.483 369 A N 0.644 123.452 122.820 -0.020 0.000 1.877 369 A HA 0.039 4.354 4.320 -0.009 0.000 0.216 369 A C 2.375 179.926 177.584 -0.055 0.000 1.186 369 A CA 2.120 54.140 52.037 -0.028 0.000 0.620 369 A CB -0.953 18.032 19.000 -0.025 0.000 0.822 369 A HN 0.582 nan 8.150 nan 0.000 0.443 370 A N -0.242 122.532 122.820 -0.076 0.000 1.972 370 A HA -0.130 4.185 4.320 -0.009 0.000 0.219 370 A C 1.600 179.108 177.584 -0.126 0.000 1.169 370 A CA 1.522 53.508 52.037 -0.085 0.000 0.635 370 A CB -0.388 18.571 19.000 -0.069 0.000 0.810 370 A HN 0.545 nan 8.150 nan 0.000 0.446 371 N N -0.618 117.957 118.700 -0.208 0.000 2.251 371 N HA 0.102 4.837 4.740 -0.009 0.000 0.217 371 N C -0.483 174.958 175.510 -0.115 0.000 1.124 371 N CA 0.038 52.967 53.050 -0.202 0.000 0.843 371 N CB 0.228 38.491 38.487 -0.373 0.000 1.024 371 N HN 0.409 nan 8.380 nan 0.000 0.501 372 R N 0.256 120.710 120.500 -0.076 0.000 3.416 372 R HA -0.155 4.179 4.340 -0.009 0.000 0.263 372 R C -0.563 175.725 176.300 -0.020 0.000 1.053 372 R CA 0.529 56.607 56.100 -0.037 0.000 0.705 372 R CB -2.059 28.223 30.300 -0.031 0.000 1.124 372 R HN 0.264 nan 8.270 nan 0.000 0.444 373 L N 0.002 121.216 121.223 -0.014 0.000 2.332 373 L HA 0.424 4.759 4.340 -0.009 0.000 0.269 373 L C 0.595 177.502 176.870 0.062 0.000 1.016 373 L CA -0.924 53.931 54.840 0.026 0.000 0.809 373 L CB 1.330 43.417 42.059 0.046 0.000 1.280 373 L HN 0.019 nan 8.230 nan 0.000 0.447 374 K N 1.610 122.050 120.400 0.067 0.000 2.264 374 K HA 0.241 4.555 4.320 -0.009 0.000 0.277 374 K C -0.943 175.721 176.600 0.108 0.000 1.067 374 K CA -0.505 55.825 56.287 0.072 0.000 0.900 374 K CB 0.589 33.100 32.500 0.018 0.000 1.124 374 K HN 0.349 nan 8.250 nan 0.000 0.469 375 F N 4.342 124.295 119.950 0.006 0.000 2.467 375 F HA 0.154 4.676 4.527 -0.010 0.000 0.362 375 F C -0.345 175.429 175.800 -0.043 0.000 1.090 375 F CA 0.419 58.421 58.000 0.003 0.000 1.202 375 F CB 0.577 39.585 39.000 0.013 0.000 1.113 375 F HN 0.614 nan 8.300 nan 0.000 0.541 376 E N 2.335 122.050 120.200 -0.809 0.000 2.423 376 E HA 0.493 4.838 4.350 -0.009 0.000 0.269 376 E C -1.052 175.001 176.600 -0.912 0.000 0.948 376 E CA -1.131 54.854 56.400 -0.692 0.000 0.802 376 E CB 2.115 31.583 29.700 -0.385 0.000 1.339 376 E HN 0.564 nan 8.360 nan 0.000 0.445 377 T N -2.006 112.207 114.554 -0.568 0.000 2.907 377 T HA 0.465 4.810 4.350 -0.009 0.000 0.292 377 T C -2.817 171.839 174.700 -0.073 0.000 1.043 377 T CA -2.529 59.319 62.100 -0.421 0.000 1.003 377 T CB 1.407 69.973 68.868 -0.503 0.000 1.084 377 T HN 0.047 nan 8.240 nan 0.000 0.483 378 P HA 0.079 nan 4.420 nan 0.000 0.259 378 P C -0.312 177.134 177.300 0.244 0.000 1.163 378 P CA 0.577 63.775 63.100 0.164 0.000 0.760 378 P CB 0.006 31.808 31.700 0.170 0.000 0.762 379 H N 1.354 120.479 119.070 0.093 0.000 2.933 379 H HA 0.331 4.882 4.556 -0.009 0.000 0.310 379 H C -0.392 175.003 175.328 0.112 0.000 1.351 379 H CA -0.895 55.189 56.048 0.060 0.000 1.137 379 H CB 0.707 30.464 29.762 -0.008 0.000 1.853 379 H HN 0.340 nan 8.280 nan 0.000 0.539 380 Q N 0.195 120.002 119.800 0.011 0.000 2.480 380 Q HA -0.152 4.183 4.340 -0.009 0.000 0.265 380 Q C -0.634 175.319 176.000 -0.078 0.000 1.072 380 Q CA 0.770 56.547 55.803 -0.045 0.000 1.018 380 Q CB -1.409 27.277 28.738 -0.087 0.000 1.433 380 Q HN 0.416 nan 8.270 nan 0.000 0.513 381 L N 0.837 122.022 121.223 -0.064 0.000 2.305 381 L HA 0.317 4.652 4.340 -0.009 0.000 0.281 381 L C 0.471 177.249 176.870 -0.153 0.000 1.085 381 L CA -0.347 54.434 54.840 -0.098 0.000 0.813 381 L CB 0.592 42.610 42.059 -0.068 0.000 1.157 381 L HN 0.051 nan 8.230 nan 0.000 0.436 382 M N 5.611 125.131 119.600 -0.134 0.000 2.080 382 M HA 0.325 4.800 4.480 -0.009 0.000 0.350 382 M C -0.873 175.332 176.300 -0.158 0.000 1.143 382 M CA -0.547 54.676 55.300 -0.127 0.000 1.064 382 M CB 0.608 33.169 32.600 -0.066 0.000 1.429 382 M HN 0.338 nan 8.290 nan 0.000 0.418 383 L N 4.533 125.583 121.223 -0.288 0.000 2.264 383 L HA 0.405 4.739 4.340 -0.009 0.000 0.287 383 L C 0.134 176.968 176.870 -0.059 0.000 1.039 383 L CA 0.160 54.837 54.840 -0.272 0.000 0.829 383 L CB 0.383 41.999 42.059 -0.739 0.000 1.211 383 L HN 0.461 nan 8.230 nan 0.000 0.427 384 K N 1.927 122.349 120.400 0.036 0.000 2.345 384 K HA 0.622 4.937 4.320 -0.009 0.000 0.255 384 K C 0.703 177.394 176.600 0.153 0.000 0.934 384 K CA -0.654 55.694 56.287 0.101 0.000 0.801 384 K CB 2.005 34.545 32.500 0.068 0.000 1.137 384 K HN 0.632 nan 8.250 nan 0.000 0.424 385 G N 2.367 111.290 108.800 0.204 0.000 2.283 385 G HA2 -0.269 3.686 3.960 -0.009 0.000 0.280 385 G HA3 -0.269 3.686 3.960 -0.009 0.000 0.280 385 G C -0.305 174.808 174.900 0.355 0.000 1.029 385 G CA -0.049 45.210 45.100 0.266 0.000 0.840 385 G HN 0.660 nan 8.290 nan 0.000 0.505 386 N N -0.603 118.265 118.700 0.281 0.000 2.524 386 N HA 0.513 5.247 4.740 -0.009 0.000 0.283 386 N C -0.296 175.112 175.510 -0.170 0.000 1.142 386 N CA -0.395 52.697 53.050 0.070 0.000 0.984 386 N CB 1.919 40.437 38.487 0.051 0.000 1.155 386 N HN 0.256 nan 8.380 nan 0.000 0.467 387 L N 2.312 123.222 121.223 -0.522 0.000 2.313 387 L HA 0.557 4.891 4.340 -0.009 0.000 0.283 387 L C -1.598 174.866 176.870 -0.676 0.000 1.013 387 L CA -0.386 54.054 54.840 -0.666 0.000 0.816 387 L CB 0.386 41.899 42.059 -0.910 0.000 1.236 387 L HN 0.316 nan 8.230 nan 0.000 0.419 388 F N 6.360 126.184 119.950 -0.210 0.000 2.460 388 F HA 0.563 5.084 4.527 -0.009 0.000 0.341 388 F C -0.645 174.961 175.800 -0.324 0.000 1.130 388 F CA -0.491 57.218 58.000 -0.485 0.000 0.962 388 F CB 1.528 39.798 39.000 -1.216 0.000 1.171 388 F HN 0.358 nan 8.300 nan 0.000 0.436 389 F N 4.493 124.431 119.950 -0.022 0.000 2.578 389 F HA 0.684 5.205 4.527 -0.009 0.000 0.311 389 F C -1.432 174.577 175.800 0.347 0.000 1.094 389 F CA -0.836 57.284 58.000 0.201 0.000 0.923 389 F CB 1.725 40.769 39.000 0.074 0.000 1.230 389 F HN 0.335 nan 8.300 nan 0.000 0.450 390 K N 4.123 124.079 120.400 -0.741 0.000 2.561 390 K HA 0.297 4.611 4.320 -0.009 0.000 0.254 390 K C -1.701 174.413 176.600 -0.809 0.000 0.942 390 K CA -0.267 55.671 56.287 -0.582 0.000 0.818 390 K CB 1.662 34.066 32.500 -0.160 0.000 1.306 390 K HN 0.810 nan 8.250 nan 0.000 0.435 391 D N 2.405 122.441 120.400 -0.607 0.000 2.562 391 D HA 0.162 4.797 4.640 -0.009 0.000 0.246 391 D C -0.579 175.567 176.300 -0.257 0.000 1.347 391 D CA -0.146 53.639 54.000 -0.358 0.000 0.800 391 D CB 0.445 41.142 40.800 -0.172 0.000 1.111 391 D HN 0.337 nan 8.370 nan 0.000 0.508 392 K N 1.253 121.434 120.400 -0.365 0.000 2.123 392 K HA 0.376 4.691 4.320 -0.009 0.000 0.248 392 K C -2.142 174.172 176.600 -0.476 0.000 0.969 392 K CA -1.983 54.010 56.287 -0.490 0.000 0.882 392 K CB 1.642 33.621 32.500 -0.869 0.000 1.080 392 K HN -0.175 nan 8.250 nan 0.000 0.441 393 P HA -0.084 nan 4.420 nan 0.000 0.286 393 P C -0.958 176.311 177.300 -0.052 0.000 1.577 393 P CA 0.473 63.464 63.100 -0.182 0.000 0.805 393 P CB -0.346 31.288 31.700 -0.111 0.000 1.706 394 Y N -0.262 120.001 120.300 -0.061 0.000 2.301 394 Y HA 0.101 4.646 4.550 -0.009 0.000 0.328 394 Y C 2.105 177.948 175.900 -0.095 0.000 1.242 394 Y CA -1.220 56.857 58.100 -0.038 0.000 1.323 394 Y CB 1.396 39.855 38.460 -0.002 0.000 1.266 394 Y HN -0.196 nan 8.280 nan 0.000 0.527 395 V N -1.407 118.530 119.914 0.038 0.000 3.650 395 V HA 0.101 4.216 4.120 -0.009 0.000 0.271 395 V C -0.399 175.511 176.094 -0.306 0.000 1.281 395 V CA 0.084 62.273 62.300 -0.184 0.000 1.120 395 V CB -0.975 30.672 31.823 -0.292 0.000 0.856 395 V HN 0.498 nan 8.190 nan 0.000 0.443 396 Y N 3.457 123.605 120.300 -0.255 0.000 2.316 396 Y HA 0.614 5.159 4.550 -0.009 0.000 0.331 396 Y C -1.707 173.962 175.900 -0.386 0.000 1.083 396 Y CA -2.937 54.917 58.100 -0.410 0.000 1.206 396 Y CB 0.373 38.439 38.460 -0.656 0.000 1.195 396 Y HN 0.135 nan 8.280 nan 0.000 0.497 397 P HA 0.051 nan 4.420 nan 0.000 0.274 397 P C 0.376 177.535 177.300 -0.235 0.000 1.260 397 P CA -0.034 62.918 63.100 -0.248 0.000 0.793 397 P CB 0.880 32.530 31.700 -0.083 0.000 1.048 398 F N -0.994 118.736 119.950 -0.367 0.000 2.186 398 F HA -0.031 4.490 4.527 -0.009 0.000 0.299 398 F C 1.051 176.301 175.800 -0.917 0.000 1.090 398 F CA 0.899 58.411 58.000 -0.814 0.000 1.307 398 F CB -0.167 37.978 39.000 -1.424 0.000 1.019 398 F HN 0.107 nan 8.300 nan 0.000 0.489 399 F N -0.690 119.370 119.950 0.184 0.000 2.588 399 F HA 0.449 4.971 4.527 -0.009 0.000 0.314 399 F C -0.314 175.446 175.800 -0.068 0.000 1.069 399 F CA -1.306 56.758 58.000 0.107 0.000 0.931 399 F CB 1.563 40.640 39.000 0.128 0.000 1.260 399 F HN -0.500 nan 8.300 nan 0.000 0.465 400 K N 1.701 122.047 120.400 -0.090 0.000 2.579 400 K HA 0.324 4.639 4.320 -0.009 0.000 0.250 400 K C -2.076 174.476 176.600 -0.080 0.000 0.952 400 K CA -0.421 55.596 56.287 -0.450 0.000 0.857 400 K CB 1.225 32.842 32.500 -1.472 0.000 1.123 400 K HN 0.666 nan 8.250 nan 0.000 0.433 401 D N 3.850 124.242 120.400 -0.013 0.000 2.336 401 D HA 0.143 4.778 4.640 -0.009 0.000 0.248 401 D C -0.295 176.066 176.300 0.103 0.000 1.326 401 D CA -0.301 53.765 54.000 0.111 0.000 0.973 401 D CB 1.350 42.130 40.800 -0.033 0.000 1.255 401 D HN 0.548 nan 8.370 nan 0.000 0.558 402 D N 1.667 122.148 120.400 0.133 0.000 2.348 402 D HA -0.096 4.539 4.640 -0.009 0.000 0.216 402 D C 0.329 176.508 176.300 -0.202 0.000 0.970 402 D CA 0.770 54.731 54.000 -0.065 0.000 0.889 402 D CB 0.381 41.088 40.800 -0.156 0.000 0.912 402 D HN 0.522 nan 8.370 nan 0.000 0.524 403 Y N -0.455 119.903 120.300 0.096 0.000 2.734 403 Y HA 0.202 4.747 4.550 -0.008 0.000 0.278 403 Y C 0.048 175.969 175.900 0.035 0.000 1.108 403 Y CA -1.243 56.899 58.100 0.069 0.000 1.211 403 Y CB -0.608 37.893 38.460 0.068 0.000 1.182 403 Y HN -0.228 nan 8.280 nan 0.000 0.547 404 F N 2.511 122.479 119.950 0.030 0.000 2.608 404 F HA 0.265 4.787 4.527 -0.008 0.000 0.380 404 F C -0.153 175.633 175.800 -0.025 0.000 1.083 404 F CA -0.113 57.862 58.000 -0.043 0.000 1.266 404 F CB 0.189 39.127 39.000 -0.104 0.000 1.076 404 F HN -0.008 nan 8.300 nan 0.000 0.574 405 I N 6.213 126.200 120.570 -0.973 0.000 2.499 405 I HA 0.346 4.511 4.170 -0.009 0.000 0.288 405 I C -0.243 175.270 176.117 -1.007 0.000 1.048 405 I CA -1.168 59.711 61.300 -0.702 0.000 1.062 405 I CB 1.641 39.446 38.000 -0.325 0.000 1.238 405 I HN 0.786 nan 8.210 nan 0.000 0.426 406 A N 4.158 126.589 122.820 -0.649 0.000 2.567 406 A HA 0.411 4.726 4.320 -0.009 0.000 0.240 406 A C 1.330 178.792 177.584 -0.204 0.000 1.053 406 A CA 0.976 52.819 52.037 -0.324 0.000 0.755 406 A CB -0.320 18.661 19.000 -0.032 0.000 0.978 406 A HN 1.377 nan 8.150 nan 0.000 0.507 407 G N 1.984 110.725 108.800 -0.098 0.000 2.189 407 G HA2 -0.387 3.568 3.960 -0.009 0.000 0.267 407 G HA3 -0.387 3.568 3.960 -0.009 0.000 0.267 407 G C 0.992 175.870 174.900 -0.037 0.000 0.975 407 G CA 1.137 46.221 45.100 -0.027 0.000 0.644 407 G HN 1.376 nan 8.290 nan 0.000 0.537 408 K N -0.541 119.795 120.400 -0.106 0.000 2.211 408 K HA 0.038 4.352 4.320 -0.009 0.000 0.203 408 K C 0.762 177.379 176.600 0.028 0.000 1.050 408 K CA 1.147 57.410 56.287 -0.040 0.000 0.945 408 K CB 0.023 32.471 32.500 -0.086 0.000 0.732 408 K HN 0.393 nan 8.250 nan 0.000 0.451 409 N N 0.226 118.944 118.700 0.029 0.000 2.453 409 N HA 0.122 4.857 4.740 -0.009 0.000 0.290 409 N C -1.558 173.983 175.510 0.053 0.000 1.250 409 N CA -0.648 52.410 53.050 0.014 0.000 0.815 409 N CB 2.010 40.481 38.487 -0.027 0.000 1.381 409 N HN 0.047 nan 8.380 nan 0.000 0.510 410 S N 0.164 115.831 115.700 -0.055 0.000 2.498 410 S HA 0.574 5.039 4.470 -0.009 0.000 0.317 410 S C -1.754 172.805 174.600 -0.069 0.000 1.090 410 S CA -0.704 57.509 58.200 0.022 0.000 1.089 410 S CB 0.084 63.288 63.200 0.007 0.000 0.997 410 S HN 0.390 nan 8.310 nan 0.000 0.470 411 W N 2.979 124.294 121.300 0.024 0.000 2.417 411 W HA 0.546 5.201 4.660 -0.008 0.000 0.315 411 W C -0.194 176.357 176.519 0.054 0.000 1.045 411 W CA -0.445 56.921 57.345 0.035 0.000 1.221 411 W CB 1.819 31.281 29.460 0.003 0.000 1.309 411 W HN 0.442 nan 8.180 nan 0.000 0.453 412 T N 1.528 116.234 114.554 0.254 0.000 2.971 412 T HA 0.482 4.827 4.350 -0.009 0.000 0.304 412 T C 0.539 175.358 174.700 0.198 0.000 1.038 412 T CA -0.195 62.020 62.100 0.191 0.000 1.007 412 T CB 1.619 70.561 68.868 0.122 0.000 1.055 412 T HN 0.887 nan 8.240 nan 0.000 0.451 413 G N 3.177 112.090 108.800 0.187 0.000 2.203 413 G HA2 -0.246 3.709 3.960 -0.009 0.000 0.263 413 G HA3 -0.246 3.709 3.960 -0.009 0.000 0.263 413 G C 0.076 175.145 174.900 0.281 0.000 1.012 413 G CA -0.212 45.003 45.100 0.193 0.000 0.749 413 G HN 0.699 nan 8.290 nan 0.000 0.512 414 N N -0.948 117.950 118.700 0.330 0.000 2.463 414 N HA 0.575 5.310 4.740 -0.009 0.000 0.270 414 N C -0.213 175.507 175.510 0.350 0.000 1.205 414 N CA -0.123 53.175 53.050 0.413 0.000 0.974 414 N CB 2.023 40.857 38.487 0.578 0.000 1.197 414 N HN 0.066 nan 8.380 nan 0.000 0.504 415 V N 0.190 120.292 119.914 0.313 0.000 2.638 415 V HA 0.714 4.828 4.120 -0.009 0.000 0.306 415 V C -0.685 175.547 176.094 0.229 0.000 1.052 415 V CA -0.794 61.638 62.300 0.220 0.000 0.885 415 V CB 1.576 33.488 31.823 0.148 0.000 0.999 415 V HN 0.842 nan 8.190 nan 0.000 0.424 416 A N 5.996 128.938 122.820 0.203 0.000 2.408 416 A HA 0.998 5.313 4.320 -0.009 0.000 0.295 416 A C -1.145 176.605 177.584 0.276 0.000 1.040 416 A CA -0.494 51.648 52.037 0.175 0.000 0.707 416 A CB 1.570 20.634 19.000 0.108 0.000 1.235 416 A HN 1.492 nan 8.150 nan 0.000 0.418 417 L N -0.155 121.318 121.223 0.417 0.000 2.672 417 L HA 0.889 5.224 4.340 -0.009 0.000 0.256 417 L C 0.158 177.251 176.870 0.371 0.000 0.946 417 L CA -0.179 54.889 54.840 0.380 0.000 0.889 417 L CB 1.622 43.861 42.059 0.299 0.000 1.441 417 L HN 1.878 nan 8.230 nan 0.000 0.418 418 G N 1.056 109.937 108.800 0.135 0.000 2.545 418 G HA2 0.005 3.960 3.960 -0.009 0.000 0.195 418 G HA3 0.005 3.960 3.960 -0.009 0.000 0.195 418 G C -0.359 174.409 174.900 -0.219 0.000 1.009 418 G CA 0.356 45.408 45.100 -0.080 0.000 0.703 418 G HN 1.310 nan 8.290 nan 0.000 0.479 419 V N 0.902 120.620 119.914 -0.327 0.000 3.282 419 V HA 0.577 4.691 4.120 -0.009 0.000 0.295 419 V C -0.509 175.342 176.094 -0.405 0.000 1.451 419 V CA -0.015 62.021 62.300 -0.441 0.000 1.062 419 V CB 1.770 33.197 31.823 -0.660 0.000 1.128 419 V HN 0.887 nan 8.190 nan 0.000 0.456 420 E N 2.547 122.567 120.200 -0.300 0.000 2.418 420 E HA 0.127 4.472 4.350 -0.009 0.000 0.261 420 E C 0.127 176.600 176.600 -0.213 0.000 1.070 420 E CA -0.118 56.165 56.400 -0.195 0.000 0.931 420 E CB 0.783 30.392 29.700 -0.153 0.000 0.954 420 E HN 0.588 nan 8.360 nan 0.000 0.439 421 K N 1.179 121.537 120.400 -0.070 0.000 2.116 421 K HA -0.005 4.310 4.320 -0.009 0.000 0.203 421 K C 1.285 177.900 176.600 0.026 0.000 1.052 421 K CA 0.912 57.218 56.287 0.031 0.000 0.952 421 K CB -0.160 32.396 32.500 0.093 0.000 0.729 421 K HN 0.888 nan 8.250 nan 0.000 0.446 422 G N 1.484 110.259 108.800 -0.043 0.000 2.213 422 G HA2 -0.237 3.718 3.960 -0.009 0.000 0.236 422 G HA3 -0.237 3.718 3.960 -0.009 0.000 0.236 422 G C 0.199 175.033 174.900 -0.110 0.000 0.991 422 G CA 0.345 45.421 45.100 -0.041 0.000 0.629 422 G HN 0.386 nan 8.290 nan 0.000 0.517 423 I N -2.415 118.046 120.570 -0.183 0.000 2.769 423 I HA 0.643 4.807 4.170 -0.009 0.000 0.298 423 I C -2.469 173.302 176.117 -0.576 0.000 1.128 423 I CA -3.031 57.993 61.300 -0.460 0.000 1.031 423 I CB 2.378 40.044 38.000 -0.556 0.000 1.235 423 I HN -0.093 nan 8.210 nan 0.000 0.423 424 P HA 0.152 nan 4.420 nan 0.000 0.244 424 P C -0.715 176.258 177.300 -0.544 0.000 1.723 424 P CA 0.108 62.867 63.100 -0.568 0.000 1.110 424 P CB 0.167 31.585 31.700 -0.470 0.000 1.972 425 V N 2.796 122.406 119.914 -0.506 0.000 2.588 425 V HA 0.262 4.377 4.120 -0.009 0.000 0.304 425 V C 0.481 176.352 176.094 -0.372 0.000 1.042 425 V CA -0.884 61.102 62.300 -0.523 0.000 0.877 425 V CB 2.133 33.345 31.823 -1.018 0.000 0.996 425 V HN 0.359 nan 8.190 nan 0.000 0.425 426 N N 4.769 123.322 118.700 -0.245 0.000 2.402 426 N HA 0.463 5.198 4.740 -0.009 0.000 0.252 426 N C -1.096 174.346 175.510 -0.114 0.000 1.118 426 N CA -0.198 52.770 53.050 -0.137 0.000 0.945 426 N CB 0.402 38.847 38.487 -0.070 0.000 1.147 426 N HN 0.598 nan 8.380 nan 0.000 0.495 427 I N 1.598 122.120 120.570 -0.080 0.000 2.545 427 I HA 0.114 4.278 4.170 -0.009 0.000 0.292 427 I C 0.405 176.555 176.117 0.056 0.000 1.040 427 I CA -0.867 60.432 61.300 -0.002 0.000 1.068 427 I CB 1.915 39.909 38.000 -0.010 0.000 1.251 427 I HN 0.386 nan 8.210 nan 0.000 0.424 428 S N 3.465 119.223 115.700 0.096 0.000 2.558 428 S HA 0.208 4.673 4.470 -0.009 0.000 0.288 428 S C 0.844 175.516 174.600 0.120 0.000 1.318 428 S CA 0.312 58.575 58.200 0.105 0.000 1.056 428 S CB 0.866 64.142 63.200 0.127 0.000 0.853 428 S HN 0.754 nan 8.310 nan 0.000 0.505 429 A N 4.074 126.958 122.820 0.107 0.000 2.390 429 A HA 0.290 4.605 4.320 -0.009 0.000 0.232 429 A C 0.671 178.329 177.584 0.123 0.000 1.233 429 A CA -0.328 51.783 52.037 0.123 0.000 0.907 429 A CB -0.245 18.817 19.000 0.104 0.000 0.967 429 A HN 0.752 nan 8.150 nan 0.000 0.512 430 N N 0.901 119.670 118.700 0.115 0.000 2.508 430 N HA 0.098 4.833 4.740 -0.009 0.000 0.253 430 N C 0.891 176.478 175.510 0.128 0.000 1.145 430 N CA -0.125 52.990 53.050 0.108 0.000 0.973 430 N CB 0.499 39.042 38.487 0.094 0.000 1.305 430 N HN 0.301 nan 8.380 nan 0.000 0.506 431 R N 2.023 122.591 120.500 0.113 0.000 2.066 431 R HA 0.037 4.372 4.340 -0.009 0.000 0.232 431 R C 1.433 177.803 176.300 0.117 0.000 1.131 431 R CA 1.685 57.848 56.100 0.104 0.000 0.955 431 R CB -0.605 29.715 30.300 0.034 0.000 0.851 431 R HN 0.441 nan 8.270 nan 0.000 0.432 432 S N -0.148 115.601 115.700 0.082 0.000 2.440 432 S HA -0.135 4.329 4.470 -0.009 0.000 0.240 432 S C 1.548 176.196 174.600 0.079 0.000 1.014 432 S CA 1.189 59.430 58.200 0.069 0.000 0.980 432 S CB -0.227 63.004 63.200 0.051 0.000 0.775 432 S HN 0.568 nan 8.310 nan 0.000 0.499 433 A N -0.329 122.551 122.820 0.100 0.000 2.308 433 A HA 0.286 4.601 4.320 -0.009 0.000 0.217 433 A C 0.431 178.079 177.584 0.106 0.000 1.216 433 A CA -0.420 51.668 52.037 0.086 0.000 0.864 433 A CB -0.277 18.771 19.000 0.081 0.000 0.902 433 A HN 0.431 nan 8.150 nan 0.000 0.499 434 Y N 1.915 122.239 120.300 0.040 0.000 2.620 434 Y HA 0.352 4.896 4.550 -0.009 0.000 0.330 434 Y C -0.103 175.820 175.900 0.038 0.000 1.186 434 Y CA 0.190 58.317 58.100 0.045 0.000 1.467 434 Y CB 0.226 38.710 38.460 0.040 0.000 1.262 434 Y HN 0.184 nan 8.280 nan 0.000 0.550 435 K N 7.631 127.482 120.400 -0.915 0.000 2.550 435 K HA 0.315 4.629 4.320 -0.009 0.000 0.252 435 K C -2.822 173.346 176.600 -0.720 0.000 0.943 435 K CA -1.936 53.931 56.287 -0.700 0.000 0.806 435 K CB 2.013 34.352 32.500 -0.269 0.000 1.289 435 K HN 0.409 nan 8.250 nan 0.000 0.435 436 P HA 0.058 nan 4.420 nan 0.000 0.272 436 P C -0.340 176.898 177.300 -0.103 0.000 1.223 436 P CA -0.400 62.576 63.100 -0.206 0.000 0.784 436 P CB 0.778 32.433 31.700 -0.074 0.000 0.923 437 V N 2.434 122.336 119.914 -0.020 0.000 2.863 437 V HA 0.229 4.343 4.120 -0.009 0.000 0.307 437 V C 0.685 176.785 176.094 0.010 0.000 1.061 437 V CA -0.487 61.814 62.300 0.002 0.000 1.024 437 V CB 0.766 32.610 31.823 0.035 0.000 1.049 437 V HN 0.435 nan 8.190 nan 0.000 0.471 438 K N 3.220 123.626 120.400 0.010 0.000 2.276 438 K HA 0.498 4.812 4.320 -0.009 0.000 0.285 438 K C -0.782 175.831 176.600 0.020 0.000 1.062 438 K CA -0.038 56.257 56.287 0.013 0.000 0.918 438 K CB 0.392 32.897 32.500 0.009 0.000 1.055 438 K HN 0.347 nan 8.250 nan 0.000 0.477 439 I N 3.595 124.179 120.570 0.024 0.000 2.433 439 I HA 0.279 4.443 4.170 -0.009 0.000 0.292 439 I C 0.446 176.576 176.117 0.022 0.000 1.001 439 I CA -0.400 60.915 61.300 0.026 0.000 1.119 439 I CB 1.683 39.704 38.000 0.035 0.000 1.289 439 I HN 0.654 nan 8.210 nan 0.000 0.438 440 K N 2.668 123.080 120.400 0.019 0.000 2.585 440 K HA 0.077 4.392 4.320 -0.009 0.000 0.210 440 K C 0.126 176.735 176.600 0.014 0.000 1.294 440 K CA -0.012 56.284 56.287 0.016 0.000 1.025 440 K CB 1.016 33.524 32.500 0.013 0.000 1.076 440 K HN 0.584 nan 8.250 nan 0.000 0.613 441 D N 0.686 121.094 120.400 0.014 0.000 2.424 441 D HA 0.029 4.664 4.640 -0.009 0.000 0.220 441 D C 0.163 176.472 176.300 0.014 0.000 1.150 441 D CA -0.186 53.820 54.000 0.010 0.000 0.831 441 D CB 0.289 41.092 40.800 0.005 0.000 0.981 441 D HN -0.042 nan 8.370 nan 0.000 0.500 442 I N 1.989 122.573 120.570 0.025 0.000 2.312 442 I HA 0.140 4.304 4.170 -0.009 0.000 0.291 442 I C 0.617 176.762 176.117 0.046 0.000 1.031 442 I CA -0.481 60.844 61.300 0.041 0.000 1.293 442 I CB 0.890 38.922 38.000 0.053 0.000 1.403 442 I HN -0.099 nan 8.210 nan 0.000 0.484 443 Q N 7.821 127.656 119.800 0.058 0.000 2.352 443 Q HA 0.275 4.609 4.340 -0.009 0.000 0.260 443 Q C -1.932 174.110 176.000 0.070 0.000 0.976 443 Q CA -1.296 54.544 55.803 0.061 0.000 0.881 443 Q CB 0.544 29.323 28.738 0.068 0.000 1.235 443 Q HN 0.422 nan 8.270 nan 0.000 0.419 444 P HA 0.219 nan 4.420 nan 0.000 0.274 444 P C -0.396 176.914 177.300 0.017 0.000 1.256 444 P CA -0.439 62.673 63.100 0.020 0.000 0.795 444 P CB 0.913 32.619 31.700 0.010 0.000 1.038 445 I N 0.996 121.556 120.570 -0.016 0.000 2.325 445 I HA 0.148 4.312 4.170 -0.009 0.000 0.291 445 I C 1.127 177.255 176.117 0.018 0.000 1.019 445 I CA -0.645 60.634 61.300 -0.035 0.000 1.302 445 I CB 0.039 37.979 38.000 -0.100 0.000 1.401 445 I HN 0.485 nan 8.210 nan 0.000 0.485 446 E N 4.963 125.192 120.200 0.048 0.000 2.529 446 E HA 0.036 4.381 4.350 -0.009 0.000 0.259 446 E C 1.088 177.795 176.600 0.179 0.000 0.966 446 E CA 1.155 57.611 56.400 0.094 0.000 0.937 446 E CB 0.623 30.386 29.700 0.105 0.000 0.923 446 E HN 0.915 nan 8.360 nan 0.000 0.468 447 G N 4.106 112.992 108.800 0.143 0.000 2.217 447 G HA2 -0.249 3.706 3.960 -0.009 0.000 0.246 447 G HA3 -0.249 3.706 3.960 -0.009 0.000 0.246 447 G C 0.361 175.357 174.900 0.161 0.000 0.990 447 G CA 0.215 45.429 45.100 0.189 0.000 0.627 447 G HN 0.520 nan 8.290 nan 0.000 0.522 448 I N 1.468 122.094 120.570 0.095 0.000 2.411 448 I HA 0.575 4.740 4.170 -0.009 0.000 0.284 448 I C 0.781 176.908 176.117 0.017 0.000 1.012 448 I CA -0.532 60.798 61.300 0.050 0.000 1.119 448 I CB 1.925 39.931 38.000 0.010 0.000 1.261 448 I HN 0.193 nan 8.210 nan 0.000 0.448 449 A N 8.638 131.468 122.820 0.016 0.000 3.048 449 A HA 0.511 4.826 4.320 -0.009 0.000 0.264 449 A C -0.199 177.366 177.584 -0.031 0.000 1.796 449 A CA 0.203 52.239 52.037 -0.001 0.000 1.445 449 A CB -0.661 18.344 19.000 0.010 0.000 1.074 449 A HN 0.644 nan 8.150 nan 0.000 0.621 450 L N 0.554 121.745 121.223 -0.054 0.000 2.410 450 L HA 0.334 4.668 4.340 -0.009 0.000 0.270 450 L C -0.727 176.094 176.870 -0.082 0.000 0.983 450 L CA -0.915 53.861 54.840 -0.107 0.000 0.822 450 L CB 2.254 44.202 42.059 -0.185 0.000 1.285 450 L HN 0.290 nan 8.230 nan 0.000 0.409 451 D N 3.641 123.993 120.400 -0.080 0.000 2.422 451 D HA 0.182 4.816 4.640 -0.009 0.000 0.227 451 D C 1.032 177.300 176.300 -0.053 0.000 1.190 451 D CA -0.093 53.879 54.000 -0.047 0.000 0.905 451 D CB 1.012 41.793 40.800 -0.033 0.000 1.034 451 D HN 0.450 nan 8.370 nan 0.000 0.507 452 L N 3.024 124.226 121.223 -0.036 0.000 2.083 452 L HA -0.172 4.162 4.340 -0.009 0.000 0.209 452 L C 2.086 178.959 176.870 0.006 0.000 1.083 452 L CA 0.652 55.481 54.840 -0.018 0.000 0.752 452 L CB -0.382 41.681 42.059 0.007 0.000 0.899 452 L HN 0.349 nan 8.230 nan 0.000 0.433 453 N N 0.585 119.290 118.700 0.009 0.000 2.084 453 N HA -0.148 4.586 4.740 -0.009 0.000 0.190 453 N C 1.956 177.475 175.510 0.015 0.000 1.030 453 N CA 1.615 54.675 53.050 0.017 0.000 0.849 453 N CB -0.191 38.305 38.487 0.015 0.000 1.012 453 N HN 0.321 nan 8.380 nan 0.000 0.423 454 A N 1.676 124.499 122.820 0.005 0.000 1.902 454 A HA -0.051 4.264 4.320 -0.009 0.000 0.217 454 A C 2.424 180.017 177.584 0.015 0.000 1.181 454 A CA 0.916 52.958 52.037 0.007 0.000 0.623 454 A CB -0.694 18.305 19.000 -0.000 0.000 0.818 454 A HN 0.177 nan 8.150 nan 0.000 0.443 455 L N -0.697 120.529 121.223 0.004 0.000 2.056 455 L HA -0.144 4.190 4.340 -0.009 0.000 0.207 455 L C 2.480 179.387 176.870 0.062 0.000 1.078 455 L CA 1.152 56.008 54.840 0.027 0.000 0.749 455 L CB -0.554 41.486 42.059 -0.031 0.000 0.901 455 L HN 0.363 nan 8.230 nan 0.000 0.433 456 I N -0.645 119.956 120.570 0.052 0.000 2.202 456 I HA -0.250 3.914 4.170 -0.009 0.000 0.242 456 I C 2.582 178.730 176.117 0.052 0.000 1.091 456 I CA 1.144 62.482 61.300 0.063 0.000 1.368 456 I CB -0.277 37.759 38.000 0.060 0.000 1.058 456 I HN 0.149 nan 8.210 nan 0.000 0.410 457 S N 0.472 116.195 115.700 0.039 0.000 2.419 457 S HA -0.164 4.300 4.470 -0.009 0.000 0.233 457 S C 1.894 176.510 174.600 0.026 0.000 1.016 457 S CA 1.161 59.377 58.200 0.028 0.000 0.974 457 S CB -0.197 63.015 63.200 0.021 0.000 0.786 457 S HN 0.377 nan 8.310 nan 0.000 0.492 458 K N 0.573 120.996 120.400 0.037 0.000 2.217 458 K HA 0.133 4.448 4.320 -0.009 0.000 0.202 458 K C 1.337 177.963 176.600 0.043 0.000 1.051 458 K CA 0.534 56.845 56.287 0.040 0.000 0.952 458 K CB -0.152 32.381 32.500 0.054 0.000 0.736 458 K HN 0.431 nan 8.250 nan 0.000 0.453 459 G N 1.048 109.879 108.800 0.053 0.000 2.512 459 G HA2 -0.240 3.715 3.960 -0.009 0.000 0.210 459 G HA3 -0.240 3.715 3.960 -0.009 0.000 0.210 459 G C -0.606 174.334 174.900 0.067 0.000 1.295 459 G CA -0.698 44.438 45.100 0.060 0.000 0.934 459 G HN 0.104 nan 8.290 nan 0.000 0.554 460 I N 2.335 122.946 120.570 0.069 0.000 2.352 460 I HA 0.457 4.622 4.170 -0.009 0.000 0.290 460 I C 1.185 177.349 176.117 0.079 0.000 1.036 460 I CA 0.216 61.539 61.300 0.039 0.000 1.336 460 I CB 1.193 39.207 38.000 0.023 0.000 1.407 460 I HN 0.839 nan 8.210 nan 0.000 0.497 461 T N 2.183 116.795 114.554 0.096 0.000 2.950 461 T HA 0.790 5.135 4.350 -0.009 0.000 0.288 461 T C 0.497 175.314 174.700 0.196 0.000 1.035 461 T CA 0.013 62.188 62.100 0.125 0.000 1.028 461 T CB 1.860 70.797 68.868 0.116 0.000 1.109 461 T HN 1.005 nan 8.240 nan 0.000 0.514 462 G N 1.432 110.309 108.800 0.127 0.000 2.575 462 G HA2 -0.048 3.907 3.960 -0.009 0.000 0.267 462 G HA3 -0.048 3.907 3.960 -0.009 0.000 0.267 462 G C -0.396 174.514 174.900 0.018 0.000 1.264 462 G CA 0.660 45.800 45.100 0.067 0.000 0.935 462 G HN 1.477 nan 8.290 nan 0.000 0.568 463 K N -1.977 118.228 120.400 -0.325 0.000 2.556 463 K HA 0.647 4.961 4.320 -0.009 0.000 0.289 463 K C -3.355 172.449 176.600 -1.326 0.000 1.040 463 K CA -1.498 54.235 56.287 -0.923 0.000 0.894 463 K CB 0.825 33.047 32.500 -0.463 0.000 1.547 463 K HN 0.444 nan 8.250 nan 0.000 0.417 464 P HA 0.021 nan 4.420 nan 0.000 0.265 464 P C -0.793 176.259 177.300 -0.412 0.000 1.187 464 P CA 0.034 62.670 63.100 -0.773 0.000 0.766 464 P CB 0.327 31.755 31.700 -0.455 0.000 0.820 465 L N 1.951 123.010 121.223 -0.274 0.000 2.395 465 L HA 0.311 4.646 4.340 -0.009 0.000 0.269 465 L C 1.023 177.844 176.870 -0.082 0.000 1.133 465 L CA 0.011 54.758 54.840 -0.155 0.000 0.812 465 L CB 0.667 42.656 42.059 -0.116 0.000 1.125 465 L HN 0.479 nan 8.230 nan 0.000 0.452 466 S N 0.603 116.270 115.700 -0.054 0.000 2.704 466 S HA 0.199 4.664 4.470 -0.009 0.000 0.305 466 S C 0.657 175.281 174.600 0.039 0.000 1.107 466 S CA -0.892 57.309 58.200 0.002 0.000 0.993 466 S CB 1.170 64.361 63.200 -0.015 0.000 1.110 466 S HN 0.894 nan 8.310 nan 0.000 0.534 467 W N 1.410 122.617 121.300 -0.155 0.000 2.318 467 W HA -0.218 4.437 4.660 -0.009 0.000 0.313 467 W C 0.556 176.951 176.519 -0.206 0.000 1.221 467 W CA 2.100 59.288 57.345 -0.262 0.000 1.266 467 W CB -0.538 28.711 29.460 -0.351 0.000 1.150 467 W HN 0.728 nan 8.180 nan 0.000 0.496 468 D N 0.392 120.625 120.400 -0.279 0.000 2.265 468 D HA -0.177 4.457 4.640 -0.009 0.000 0.208 468 D C 1.633 177.741 176.300 -0.320 0.000 0.977 468 D CA 1.485 55.246 54.000 -0.398 0.000 0.871 468 D CB -0.364 40.322 40.800 -0.191 0.000 0.925 468 D HN 0.522 nan 8.370 nan 0.000 0.485 469 E N -0.042 120.033 120.200 -0.209 0.000 2.481 469 E HA -0.037 4.308 4.350 -0.009 0.000 0.195 469 E C 1.923 178.464 176.600 -0.098 0.000 1.047 469 E CA 0.234 56.560 56.400 -0.123 0.000 0.867 469 E CB 0.596 30.259 29.700 -0.061 0.000 0.858 469 E HN 0.265 nan 8.360 nan 0.000 0.513 470 V N -1.422 118.357 119.914 -0.226 0.000 3.480 470 V HA 0.154 4.269 4.120 -0.009 0.000 0.263 470 V C 0.878 176.734 176.094 -0.396 0.000 1.442 470 V CA -0.552 61.627 62.300 -0.203 0.000 1.053 470 V CB -0.233 31.526 31.823 -0.107 0.000 0.846 470 V HN 0.042 nan 8.190 nan 0.000 0.440 471 R N 1.732 121.719 120.500 -0.855 0.000 2.758 471 R HA 0.238 4.573 4.340 -0.009 0.000 0.263 471 R C -2.538 173.368 176.300 -0.656 0.000 1.010 471 R CA -0.871 54.505 56.100 -1.207 0.000 1.114 471 R CB -1.266 27.730 30.300 -2.174 0.000 0.985 471 R HN 0.207 nan 8.270 nan 0.000 0.439 472 P HA -0.071 nan 4.420 nan 0.000 0.268 472 P C -0.168 176.673 177.300 -0.766 0.000 1.204 472 P CA -0.062 62.617 63.100 -0.702 0.000 0.768 472 P CB 0.139 31.166 31.700 -1.123 0.000 0.842 473 Y N 3.126 123.193 120.300 -0.388 0.000 2.228 473 Y HA -0.208 4.337 4.550 -0.009 0.000 0.285 473 Y C 1.517 177.314 175.900 -0.172 0.000 1.178 473 Y CA 1.023 58.976 58.100 -0.245 0.000 1.202 473 Y CB -1.434 36.955 38.460 -0.119 0.000 0.974 473 Y HN 0.494 nan 8.280 nan 0.000 0.527 474 W N 0.163 121.133 121.300 -0.549 0.000 3.197 474 W HA 0.377 5.031 4.660 -0.009 0.000 0.274 474 W C -0.472 175.952 176.519 -0.157 0.000 1.297 474 W CA -0.695 56.470 57.345 -0.300 0.000 1.662 474 W CB -0.573 28.630 29.460 -0.428 0.000 1.106 474 W HN 0.072 nan 8.180 nan 0.000 0.663 475 L N 3.083 123.820 121.223 -0.811 0.000 2.264 475 L HA 0.279 4.614 4.340 -0.009 0.000 0.289 475 L C 1.064 177.803 176.870 -0.218 0.000 1.044 475 L CA -0.172 54.336 54.840 -0.553 0.000 0.807 475 L CB 1.319 42.804 42.059 -0.957 0.000 1.192 475 L HN -0.189 nan 8.230 nan 0.000 0.425 476 K N 2.431 122.831 120.400 -0.001 0.000 2.121 476 K HA 0.177 4.492 4.320 -0.009 0.000 0.203 476 K C -0.174 176.568 176.600 0.238 0.000 1.041 476 K CA 0.493 56.822 56.287 0.070 0.000 0.969 476 K CB 0.256 32.796 32.500 0.067 0.000 0.799 476 K HN 0.602 nan 8.250 nan 0.000 0.456 477 E N 1.280 121.587 120.200 0.179 0.000 2.231 477 E HA 0.166 4.511 4.350 -0.009 0.000 0.277 477 E C -0.810 175.763 176.600 -0.045 0.000 0.999 477 E CA -0.439 56.017 56.400 0.092 0.000 0.827 477 E CB 1.552 31.281 29.700 0.048 0.000 1.101 477 E HN 0.060 nan 8.360 nan 0.000 0.393 478 M N 4.020 123.328 119.600 -0.487 0.000 2.268 478 M HA 0.156 4.631 4.480 -0.009 0.000 0.349 478 M C -2.299 173.764 176.300 -0.394 0.000 1.485 478 M CA -1.243 53.486 55.300 -0.952 0.000 1.094 478 M CB 0.394 32.187 32.600 -1.344 0.000 1.843 478 M HN 0.191 nan 8.290 nan 0.000 0.460 479 P HA 0.485 nan 4.420 nan 0.000 0.274 479 P C -0.300 176.989 177.300 -0.018 0.000 1.237 479 P CA 0.199 63.264 63.100 -0.058 0.000 0.793 479 P CB 0.703 32.330 31.700 -0.122 0.000 0.977 480 G N 0.506 109.343 108.800 0.062 0.000 2.782 480 G HA2 -0.084 3.871 3.960 -0.009 0.000 0.228 480 G HA3 -0.084 3.871 3.960 -0.009 0.000 0.228 480 G C 0.430 175.364 174.900 0.056 0.000 1.372 480 G CA 0.083 45.229 45.100 0.077 0.000 0.862 480 G HN 0.774 nan 8.290 nan 0.000 0.547 481 T N -4.279 110.326 114.554 0.085 0.000 3.009 481 T HA 0.217 4.562 4.350 -0.009 0.000 0.267 481 T C 1.586 176.344 174.700 0.097 0.000 0.942 481 T CA 1.279 63.420 62.100 0.070 0.000 0.883 481 T CB 0.153 69.062 68.868 0.069 0.000 1.192 481 T HN 0.987 nan 8.240 nan 0.000 0.524 482 Y N 2.854 123.164 120.300 0.017 0.000 2.181 482 Y HA 0.206 4.750 4.550 -0.008 0.000 0.288 482 Y C 2.704 178.633 175.900 0.047 0.000 1.146 482 Y CA 1.296 59.410 58.100 0.024 0.000 1.164 482 Y CB -0.702 37.751 38.460 -0.012 0.000 0.982 482 Y HN 0.340 nan 8.280 nan 0.000 0.515 483 A N -0.122 122.733 122.820 0.059 0.000 1.908 483 A HA -0.171 4.144 4.320 -0.009 0.000 0.218 483 A C 2.154 179.712 177.584 -0.044 0.000 1.181 483 A CA 2.078 54.132 52.037 0.028 0.000 0.627 483 A CB -0.983 18.141 19.000 0.208 0.000 0.818 483 A HN 0.526 nan 8.150 nan 0.000 0.445 484 L N -1.164 120.031 121.223 -0.046 0.000 2.513 484 L HA 0.039 4.374 4.340 -0.009 0.000 0.222 484 L C 2.189 179.027 176.870 -0.054 0.000 1.096 484 L CA 1.323 56.133 54.840 -0.050 0.000 0.857 484 L CB 0.066 42.092 42.059 -0.056 0.000 1.026 484 L HN 0.623 nan 8.230 nan 0.000 0.469 485 T N -5.120 109.390 114.554 -0.074 0.000 2.986 485 T HA 0.366 4.710 4.350 -0.009 0.000 0.264 485 T C 1.100 175.753 174.700 -0.079 0.000 0.964 485 T CA 0.429 62.500 62.100 -0.049 0.000 0.895 485 T CB 0.774 69.639 68.868 -0.005 0.000 1.163 485 T HN 0.129 nan 8.240 nan 0.000 0.517 486 A N 0.919 123.570 122.820 -0.281 0.000 2.826 486 A HA -0.178 4.137 4.320 -0.009 0.000 0.274 486 A C 0.384 177.989 177.584 0.035 0.000 1.443 486 A CA 1.278 53.035 52.037 -0.466 0.000 0.833 486 A CB -2.221 16.751 19.000 -0.046 0.000 1.023 486 A HN 0.694 nan 8.150 nan 0.000 0.600 487 R N -2.100 118.473 120.500 0.123 0.000 2.771 487 R HA 0.740 5.075 4.340 -0.009 0.000 0.274 487 R C -1.198 175.232 176.300 0.216 0.000 0.987 487 R CA -0.927 55.296 56.100 0.204 0.000 0.908 487 R CB 1.211 31.582 30.300 0.118 0.000 1.213 487 R HN 0.266 nan 8.270 nan 0.000 0.468 488 L N 0.908 122.238 121.223 0.179 0.000 2.330 488 L HA 0.431 4.766 4.340 -0.009 0.000 0.271 488 L C 0.143 177.070 176.870 0.095 0.000 1.013 488 L CA -0.019 54.892 54.840 0.118 0.000 0.816 488 L CB 1.953 44.052 42.059 0.066 0.000 1.287 488 L HN 0.818 nan 8.230 nan 0.000 0.435 489 S N 1.477 117.221 115.700 0.074 0.000 2.587 489 S HA 0.285 4.750 4.470 -0.009 0.000 0.260 489 S C 1.277 175.917 174.600 0.066 0.000 1.353 489 S CA 0.076 58.314 58.200 0.064 0.000 0.995 489 S CB 0.520 63.752 63.200 0.053 0.000 0.912 489 S HN 0.808 nan 8.310 nan 0.000 0.568 490 A N 0.633 123.487 122.820 0.057 0.000 1.877 490 A HA -0.117 4.198 4.320 -0.009 0.000 0.216 490 A C 1.855 179.474 177.584 0.058 0.000 1.186 490 A CA 2.079 54.150 52.037 0.057 0.000 0.620 490 A CB -1.505 17.522 19.000 0.045 0.000 0.822 490 A HN 0.997 nan 8.150 nan 0.000 0.443 491 D N -0.943 119.487 120.400 0.049 0.000 2.117 491 D HA -0.129 4.506 4.640 -0.009 0.000 0.197 491 D C 2.189 178.524 176.300 0.059 0.000 0.987 491 D CA 1.348 55.376 54.000 0.047 0.000 0.829 491 D CB -0.090 40.730 40.800 0.033 0.000 0.961 491 D HN 0.435 nan 8.370 nan 0.000 0.460 492 R N -0.195 120.341 120.500 0.061 0.000 2.115 492 R HA 0.130 4.464 4.340 -0.009 0.000 0.226 492 R C 2.308 178.669 176.300 0.101 0.000 1.100 492 R CA 0.913 57.052 56.100 0.064 0.000 0.980 492 R CB -0.175 30.148 30.300 0.039 0.000 0.875 492 R HN 0.147 nan 8.270 nan 0.000 0.445 493 A N 1.344 124.232 122.820 0.113 0.000 1.969 493 A HA -0.057 4.258 4.320 -0.009 0.000 0.218 493 A C 2.332 180.021 177.584 0.173 0.000 1.169 493 A CA 1.530 53.670 52.037 0.172 0.000 0.635 493 A CB -0.430 18.654 19.000 0.141 0.000 0.810 493 A HN 0.364 nan 8.150 nan 0.000 0.445 494 A N 0.152 123.044 122.820 0.120 0.000 1.873 494 A HA -0.139 4.176 4.320 -0.009 0.000 0.215 494 A C 2.102 179.751 177.584 0.110 0.000 1.186 494 A CA 1.739 53.834 52.037 0.097 0.000 0.616 494 A CB -0.408 18.634 19.000 0.070 0.000 0.823 494 A HN 0.536 nan 8.150 nan 0.000 0.442 495 K N -1.500 118.973 120.400 0.121 0.000 2.057 495 K HA -0.086 4.229 4.320 -0.009 0.000 0.206 495 K C 1.792 178.511 176.600 0.197 0.000 1.050 495 K CA 1.393 57.757 56.287 0.129 0.000 0.935 495 K CB -0.341 32.223 32.500 0.108 0.000 0.715 495 K HN 0.421 nan 8.250 nan 0.000 0.439 496 F N 2.801 122.764 119.950 0.021 0.000 2.126 496 F HA -0.177 4.345 4.527 -0.009 0.000 0.299 496 F C 1.743 177.552 175.800 0.015 0.000 1.096 496 F CA 1.495 59.495 58.000 0.001 0.000 1.255 496 F CB -0.114 38.874 39.000 -0.020 0.000 0.997 496 F HN -0.125 nan 8.300 nan 0.000 0.479 497 K N -0.144 120.287 120.400 0.051 0.000 2.057 497 K HA -0.110 4.205 4.320 -0.009 0.000 0.207 497 K C 2.305 178.896 176.600 -0.015 0.000 1.049 497 K CA 1.203 57.456 56.287 -0.056 0.000 0.931 497 K CB -0.554 31.950 32.500 0.006 0.000 0.714 497 K HN 0.297 nan 8.250 nan 0.000 0.440 498 A N 1.175 124.021 122.820 0.044 0.000 1.902 498 A HA -0.132 4.183 4.320 -0.009 0.000 0.217 498 A C 2.404 180.029 177.584 0.070 0.000 1.181 498 A CA 1.453 53.523 52.037 0.055 0.000 0.623 498 A CB -0.704 18.336 19.000 0.068 0.000 0.818 498 A HN 0.065 nan 8.150 nan 0.000 0.443 499 V N 0.320 120.293 119.914 0.099 0.000 2.261 499 V HA -0.289 3.826 4.120 -0.009 0.000 0.246 499 V C 2.445 178.654 176.094 0.192 0.000 1.047 499 V CA 2.144 64.541 62.300 0.162 0.000 1.015 499 V CB -0.703 31.248 31.823 0.213 0.000 0.642 499 V HN 0.582 nan 8.190 nan 0.000 0.446 500 I N -0.222 120.382 120.570 0.058 0.000 2.226 500 I HA -0.290 3.875 4.170 -0.009 0.000 0.245 500 I C 2.586 178.746 176.117 0.071 0.000 1.100 500 I CA 1.946 63.286 61.300 0.068 0.000 1.374 500 I CB -0.452 37.421 38.000 -0.212 0.000 1.057 500 I HN 0.289 nan 8.210 nan 0.000 0.413 501 K N 1.753 122.169 120.400 0.027 0.000 2.057 501 K HA -0.193 4.122 4.320 -0.009 0.000 0.207 501 K C 2.238 178.859 176.600 0.035 0.000 1.049 501 K CA 1.511 57.816 56.287 0.030 0.000 0.931 501 K CB -0.068 32.449 32.500 0.028 0.000 0.714 501 K HN 0.343 nan 8.250 nan 0.000 0.440 502 R N -0.236 120.287 120.500 0.038 0.000 2.307 502 R HA -0.003 4.332 4.340 -0.009 0.000 0.199 502 R C 1.410 177.699 176.300 -0.017 0.000 1.000 502 R CA 1.114 57.221 56.100 0.011 0.000 1.023 502 R CB -0.272 30.040 30.300 0.019 0.000 0.908 502 R HN 0.128 nan 8.270 nan 0.000 0.473 503 N N 0.858 119.545 118.700 -0.021 0.000 2.236 503 N HA 0.025 4.760 4.740 -0.009 0.000 0.196 503 N C -0.654 174.792 175.510 -0.107 0.000 1.114 503 N CA 0.001 52.971 53.050 -0.134 0.000 0.859 503 N CB 0.520 38.797 38.487 -0.350 0.000 0.982 503 N HN 0.248 nan 8.380 nan 0.000 0.493 504 K N 0.769 121.151 120.400 -0.030 0.000 2.238 504 K HA 0.215 4.530 4.320 -0.009 0.000 0.239 504 K C -0.503 176.106 176.600 0.014 0.000 0.987 504 K CA -0.512 55.772 56.287 -0.006 0.000 0.857 504 K CB 1.693 34.204 32.500 0.019 0.000 1.154 504 K HN -0.017 nan 8.250 nan 0.000 0.439 505 E N 1.659 121.873 120.200 0.024 0.000 2.481 505 E HA -0.127 4.218 4.350 -0.009 0.000 0.263 505 E C 0.003 176.667 176.600 0.106 0.000 0.992 505 E CA 0.580 57.011 56.400 0.051 0.000 0.938 505 E CB 0.342 30.064 29.700 0.037 0.000 0.933 505 E HN 0.415 nan 8.360 nan 0.000 0.453 506 H N 0.000 119.068 119.070 -0.003 0.000 2.539 506 H HA 0.000 4.551 4.556 -0.009 0.000 0.296 506 H CA 0.000 56.048 56.048 0.001 0.000 1.023 506 H CB 0.000 29.763 29.762 0.002 0.000 1.292 506 H HN 0.000 nan 8.280 nan 0.000 0.496