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 2omw_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE TSLQQLNFGN QVTDLKPLAN LTTLERLDIS SNKVSDISVL AKLTNLESLI DATA SEQUENCE ATNNQISDIT PLGILTNLDE LSLNGNQLKD IGTLASLTNL TDLDLANNQI DATA SEQUENCE SNLAPLSGLT KLTELKLGAN QISNISPLAG LTALTNLELN ENQLEDISPI DATA SEQUENCE SNLKNLTYLT LYFNNISDIS PVSSLTKLQR LFFSNNKVSD VSSLANLTNI DATA SEQUENCE NWLSAGHNQI SDLTPLANLT RITQLGLNDQ AWTNAPVNYK ANVSIPNTVK DATA SEQUENCE NVTGALIAPA TISDGGSYTE PDITWNLPSY TNEVSYTFSQ PVTIGKGTTT DATA SEQUENCE FSGTVTQPLK A 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 36 A HA 0.000 nan 4.320 nan 0.000 0.244 36 A C 0.000 177.702 177.584 0.197 0.000 1.274 36 A CA 0.000 52.057 52.037 0.034 0.000 0.836 36 A CB 0.000 18.901 19.000 -0.165 0.000 0.831 37 T N -0.041 114.672 114.554 0.266 0.000 2.933 37 T HA 0.689 5.038 4.350 -0.001 0.000 0.305 37 T C 0.013 174.792 174.700 0.132 0.000 1.092 37 T CA -0.288 61.939 62.100 0.212 0.000 1.008 37 T CB 0.777 69.696 68.868 0.084 0.000 1.102 37 T HN 1.769 nan 8.240 nan 0.000 0.469 38 I N 1.362 121.845 120.570 -0.145 0.000 2.634 38 I HA 0.331 4.500 4.170 -0.001 0.000 0.284 38 I C 1.520 177.565 176.117 -0.121 0.000 1.124 38 I CA -0.496 60.611 61.300 -0.322 0.000 1.417 38 I CB 0.762 38.472 38.000 -0.483 0.000 1.396 38 I HN 0.892 nan 8.210 nan 0.000 0.571 39 T N 1.047 115.544 114.554 -0.095 0.000 3.085 39 T HA 0.024 4.373 4.350 -0.001 0.000 0.263 39 T C 0.501 175.172 174.700 -0.049 0.000 1.127 39 T CA 0.585 62.657 62.100 -0.048 0.000 1.103 39 T CB -0.133 68.716 68.868 -0.032 0.000 0.921 39 T HN 0.864 nan 8.240 nan 0.000 0.510 40 Q N -0.267 119.490 119.800 -0.072 0.000 2.702 40 Q HA 0.261 4.600 4.340 -0.001 0.000 0.289 40 Q C -2.054 173.902 176.000 -0.072 0.000 0.923 40 Q CA -0.889 54.880 55.803 -0.057 0.000 0.787 40 Q CB 1.152 29.862 28.738 -0.046 0.000 1.476 40 Q HN 0.045 nan 8.270 nan 0.000 0.402 41 D N 1.896 122.265 120.400 -0.051 0.000 2.487 41 D HA 0.186 4.825 4.640 -0.001 0.000 0.243 41 D C -0.920 175.347 176.300 -0.055 0.000 1.154 41 D CA 1.106 55.077 54.000 -0.047 0.000 0.876 41 D CB 0.861 41.645 40.800 -0.027 0.000 1.161 41 D HN 0.371 nan 8.370 nan 0.000 0.478 42 T N 2.990 117.504 114.554 -0.067 0.000 2.893 42 T HA 0.443 4.793 4.350 -0.001 0.000 0.293 42 T C -2.580 172.097 174.700 -0.039 0.000 1.027 42 T CA -1.561 60.497 62.100 -0.070 0.000 0.988 42 T CB 2.114 70.903 68.868 -0.131 0.000 1.043 42 T HN 0.016 nan 8.240 nan 0.000 0.461 43 P HA 0.195 nan 4.420 nan 0.000 0.266 43 P C 0.827 178.145 177.300 0.030 0.000 1.195 43 P CA -0.051 63.053 63.100 0.007 0.000 0.768 43 P CB 0.396 32.100 31.700 0.006 0.000 0.838 44 I N 2.078 122.696 120.570 0.080 0.000 2.194 44 I HA -0.320 3.849 4.170 -0.001 0.000 0.246 44 I C 1.836 178.073 176.117 0.199 0.000 1.093 44 I CA 1.886 63.297 61.300 0.185 0.000 1.355 44 I CB -0.646 37.454 38.000 0.167 0.000 1.046 44 I HN 0.473 nan 8.210 nan 0.000 0.413 45 N N 0.706 119.475 118.700 0.115 0.000 2.521 45 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 45 N C 1.302 176.846 175.510 0.057 0.000 1.146 45 N CA 0.826 53.935 53.050 0.099 0.000 0.893 45 N CB -0.287 38.241 38.487 0.068 0.000 0.975 45 N HN 0.531 nan 8.380 nan 0.000 0.451 46 Q N -0.543 119.270 119.800 0.022 0.000 2.378 46 Q HA 0.336 4.676 4.340 -0.001 0.000 0.229 46 Q C 1.483 177.437 176.000 -0.075 0.000 0.882 46 Q CA 0.099 55.889 55.803 -0.021 0.000 0.936 46 Q CB 0.546 29.264 28.738 -0.033 0.000 1.092 46 Q HN 0.387 nan 8.270 nan 0.000 0.535 47 I N -0.481 120.011 120.570 -0.129 0.000 2.385 47 I HA -0.050 4.119 4.170 -0.001 0.000 0.244 47 I C 0.097 175.963 176.117 -0.418 0.000 1.089 47 I CA 0.678 61.767 61.300 -0.351 0.000 1.410 47 I CB 0.267 37.928 38.000 -0.565 0.000 1.117 47 I HN -0.017 nan 8.210 nan 0.000 0.429 48 F N 1.909 121.890 119.950 0.052 0.000 2.334 48 F HA 0.144 4.670 4.527 -0.001 0.000 0.365 48 F C 1.679 177.500 175.800 0.036 0.000 1.124 48 F CA -0.583 57.450 58.000 0.056 0.000 1.166 48 F CB 0.380 39.416 39.000 0.060 0.000 1.355 48 F HN -0.023 nan 8.300 nan 0.000 0.532 49 T N -2.459 112.171 114.554 0.126 0.000 3.035 49 T HA -0.121 4.228 4.350 -0.001 0.000 0.268 49 T C 0.578 175.329 174.700 0.084 0.000 1.109 49 T CA 0.253 62.401 62.100 0.080 0.000 1.119 49 T CB -0.094 68.796 68.868 0.038 0.000 0.900 49 T HN 0.455 nan 8.240 nan 0.000 0.503 50 D N 1.226 121.690 120.400 0.107 0.000 2.348 50 D HA 0.096 4.735 4.640 -0.001 0.000 0.253 50 D C 0.683 177.034 176.300 0.085 0.000 1.161 50 D CA 0.024 54.073 54.000 0.081 0.000 0.876 50 D CB 1.662 42.508 40.800 0.076 0.000 1.160 50 D HN 0.074 nan 8.370 nan 0.000 0.459 51 T N 3.353 117.943 114.554 0.059 0.000 2.684 51 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 51 T C 1.795 176.522 174.700 0.044 0.000 1.036 51 T CA 1.686 63.816 62.100 0.049 0.000 1.148 51 T CB -0.085 68.804 68.868 0.035 0.000 0.863 51 T HN 0.621 nan 8.240 nan 0.000 0.436 52 A N 1.103 123.948 122.820 0.041 0.000 1.902 52 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 52 A C 2.243 179.845 177.584 0.031 0.000 1.181 52 A CA 1.248 53.305 52.037 0.033 0.000 0.623 52 A CB -0.806 18.216 19.000 0.037 0.000 0.818 52 A HN 0.382 nan 8.150 nan 0.000 0.443 53 L N -0.194 121.062 121.223 0.054 0.000 2.017 53 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 53 L C 2.741 179.584 176.870 -0.045 0.000 1.073 53 L CA 2.103 56.965 54.840 0.037 0.000 0.745 53 L CB -1.032 41.095 42.059 0.114 0.000 0.894 53 L HN 0.368 nan 8.230 nan 0.000 0.432 54 A N -0.592 122.255 122.820 0.046 0.000 1.892 54 A HA -0.310 4.010 4.320 -0.001 0.000 0.218 54 A C 2.264 179.838 177.584 -0.017 0.000 1.188 54 A CA 1.979 54.049 52.037 0.055 0.000 0.631 54 A CB -0.831 18.244 19.000 0.124 0.000 0.822 54 A HN 0.570 nan 8.150 nan 0.000 0.447 55 E N 0.077 120.273 120.200 -0.006 0.000 2.085 55 E HA -0.249 4.101 4.350 -0.001 0.000 0.194 55 E C 1.958 178.531 176.600 -0.045 0.000 0.994 55 E CA 2.024 58.414 56.400 -0.016 0.000 0.801 55 E CB -0.175 29.523 29.700 -0.003 0.000 0.743 55 E HN 0.484 nan 8.360 nan 0.000 0.453 56 K N -0.397 119.963 120.400 -0.065 0.000 2.057 56 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 56 K C 1.894 178.410 176.600 -0.139 0.000 1.050 56 K CA 1.673 57.907 56.287 -0.089 0.000 0.935 56 K CB -0.234 32.218 32.500 -0.081 0.000 0.715 56 K HN 0.148 nan 8.250 nan 0.000 0.439 57 M N 1.148 120.610 119.600 -0.231 0.000 2.229 57 M HA -0.066 4.413 4.480 -0.001 0.000 0.264 57 M C 1.989 178.195 176.300 -0.155 0.000 1.063 57 M CA 1.454 56.557 55.300 -0.329 0.000 1.114 57 M CB -0.875 31.235 32.600 -0.817 0.000 1.387 57 M HN 0.238 nan 8.290 nan 0.000 0.420 58 K N -0.080 120.266 120.400 -0.089 0.000 2.044 58 K HA -0.169 4.151 4.320 -0.001 0.000 0.210 58 K C 1.738 178.318 176.600 -0.033 0.000 1.049 58 K CA 2.056 58.323 56.287 -0.033 0.000 0.927 58 K CB -0.011 32.480 32.500 -0.016 0.000 0.713 58 K HN 0.280 nan 8.250 nan 0.000 0.443 59 T N 0.838 115.366 114.554 -0.044 0.000 2.737 59 T HA -0.100 4.249 4.350 -0.001 0.000 0.265 59 T C 1.954 176.630 174.700 -0.040 0.000 1.038 59 T CA 1.333 63.411 62.100 -0.037 0.000 1.144 59 T CB -0.206 68.638 68.868 -0.039 0.000 0.866 59 T HN 0.004 nan 8.240 nan 0.000 0.434 60 V N 1.630 121.509 119.914 -0.058 0.000 2.287 60 V HA -0.119 4.000 4.120 -0.001 0.000 0.248 60 V C 2.268 178.342 176.094 -0.032 0.000 1.053 60 V CA 1.584 63.851 62.300 -0.055 0.000 1.027 60 V CB -0.611 31.162 31.823 -0.085 0.000 0.646 60 V HN 0.454 nan 8.190 nan 0.000 0.447 61 L N 0.380 121.586 121.223 -0.028 0.000 2.599 61 L HA 0.263 4.602 4.340 -0.001 0.000 0.230 61 L C 1.601 178.471 176.870 0.001 0.000 1.141 61 L CA 0.688 55.527 54.840 -0.002 0.000 0.877 61 L CB -0.801 41.269 42.059 0.018 0.000 1.009 61 L HN 0.541 nan 8.230 nan 0.000 0.447 62 G N 0.682 109.477 108.800 -0.007 0.000 2.323 62 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.292 62 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.292 62 G C 0.193 175.093 174.900 0.000 0.000 1.040 62 G CA 0.191 45.288 45.100 -0.005 0.000 0.942 62 G HN 0.205 nan 8.290 nan 0.000 0.506 63 K N -0.781 119.620 120.400 0.001 0.000 2.123 63 K HA 0.565 4.884 4.320 -0.001 0.000 0.248 63 K C 1.107 177.709 176.600 0.003 0.000 0.969 63 K CA -0.144 56.147 56.287 0.006 0.000 0.882 63 K CB 1.500 34.009 32.500 0.014 0.000 1.080 63 K HN 0.082 nan 8.250 nan 0.000 0.441 64 T N 0.239 114.796 114.554 0.005 0.000 3.107 64 T HA 0.030 4.379 4.350 -0.001 0.000 0.249 64 T C -0.124 174.579 174.700 0.005 0.000 1.096 64 T CA 0.202 62.305 62.100 0.003 0.000 1.012 64 T CB -0.142 68.728 68.868 0.003 0.000 0.977 64 T HN 0.483 nan 8.240 nan 0.000 0.527 65 N N -0.177 118.528 118.700 0.009 0.000 2.710 65 N HA 0.079 4.818 4.740 -0.001 0.000 0.257 65 N C 0.786 176.308 175.510 0.019 0.000 1.140 65 N CA 0.030 53.087 53.050 0.012 0.000 0.953 65 N CB 1.688 40.181 38.487 0.011 0.000 1.664 65 N HN -0.058 nan 8.380 nan 0.000 0.497 66 V N 0.303 120.231 119.914 0.023 0.000 2.913 66 V HA -0.076 4.044 4.120 -0.001 0.000 0.260 66 V C 1.982 178.100 176.094 0.040 0.000 1.098 66 V CA 2.210 64.532 62.300 0.038 0.000 1.121 66 V CB -1.412 30.437 31.823 0.042 0.000 0.714 66 V HN 0.822 nan 8.190 nan 0.000 0.487 67 T N -2.715 111.856 114.554 0.027 0.000 3.055 67 T HA -0.022 4.327 4.350 -0.001 0.000 0.265 67 T C 0.537 175.249 174.700 0.020 0.000 1.111 67 T CA 0.397 62.510 62.100 0.022 0.000 1.118 67 T CB -0.672 68.205 68.868 0.015 0.000 0.909 67 T HN 0.510 nan 8.240 nan 0.000 0.501 68 D N 3.675 124.088 120.400 0.021 0.000 2.455 68 D HA 0.190 4.829 4.640 -0.001 0.000 0.241 68 D C 0.721 177.034 176.300 0.021 0.000 1.138 68 D CA 0.363 54.374 54.000 0.018 0.000 0.877 68 D CB 1.180 41.990 40.800 0.018 0.000 1.187 68 D HN 0.534 nan 8.370 nan 0.000 0.451 69 T N -1.566 112.995 114.554 0.012 0.000 2.898 69 T HA 0.464 4.813 4.350 -0.001 0.000 0.301 69 T C 0.339 175.047 174.700 0.014 0.000 1.049 69 T CA -0.789 61.315 62.100 0.006 0.000 1.095 69 T CB 0.855 69.720 68.868 -0.005 0.000 0.976 69 T HN 0.229 nan 8.240 nan 0.000 0.539 70 V N -0.665 119.256 119.914 0.012 0.000 3.007 70 V HA 0.870 4.989 4.120 -0.001 0.000 0.311 70 V C 0.008 176.101 176.094 -0.001 0.000 1.120 70 V CA -0.934 61.379 62.300 0.021 0.000 0.980 70 V CB 1.519 33.376 31.823 0.058 0.000 1.033 70 V HN 1.282 nan 8.190 nan 0.000 0.429 71 S N 1.167 116.870 115.700 0.004 0.000 2.713 71 S HA 0.432 4.901 4.470 -0.001 0.000 0.283 71 S C 0.767 175.364 174.600 -0.004 0.000 1.161 71 S CA 0.051 58.246 58.200 -0.008 0.000 0.999 71 S CB 1.711 64.911 63.200 -0.000 0.000 1.039 71 S HN 0.939 nan 8.310 nan 0.000 0.548 72 Q N 1.033 120.825 119.800 -0.014 0.000 2.135 72 Q HA -0.072 4.267 4.340 -0.001 0.000 0.204 72 Q C 1.895 177.914 176.000 0.032 0.000 0.981 72 Q CA 2.567 58.375 55.803 0.007 0.000 0.856 72 Q CB -1.417 27.326 28.738 0.007 0.000 0.902 72 Q HN 0.915 nan 8.270 nan 0.000 0.425 73 T N 1.162 115.730 114.554 0.023 0.000 2.665 73 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 73 T C 1.105 175.826 174.700 0.034 0.000 1.035 73 T CA 1.512 63.628 62.100 0.027 0.000 1.151 73 T CB -0.472 68.407 68.868 0.018 0.000 0.862 73 T HN 0.402 nan 8.240 nan 0.000 0.438 74 D N 1.210 121.630 120.400 0.035 0.000 2.104 74 D HA -0.032 4.607 4.640 -0.001 0.000 0.194 74 D C 2.210 178.548 176.300 0.064 0.000 0.994 74 D CA 0.830 54.856 54.000 0.043 0.000 0.830 74 D CB -0.508 40.317 40.800 0.042 0.000 0.959 74 D HN 0.323 nan 8.370 nan 0.000 0.452 75 L N 0.877 122.152 121.223 0.086 0.000 2.079 75 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 75 L C 1.762 178.700 176.870 0.112 0.000 1.081 75 L CA 1.038 55.957 54.840 0.132 0.000 0.752 75 L CB -0.358 41.798 42.059 0.162 0.000 0.896 75 L HN -0.093 nan 8.230 nan 0.000 0.433 76 D N -0.574 119.876 120.400 0.084 0.000 2.350 76 D HA -0.124 4.515 4.640 -0.001 0.000 0.216 76 D C 2.182 178.513 176.300 0.053 0.000 0.968 76 D CA 0.624 54.665 54.000 0.068 0.000 0.894 76 D CB 0.013 40.846 40.800 0.055 0.000 0.909 76 D HN 0.322 nan 8.370 nan 0.000 0.520 77 Q N -0.122 119.707 119.800 0.048 0.000 2.389 77 Q HA 0.054 4.393 4.340 -0.001 0.000 0.204 77 Q C 0.412 176.431 176.000 0.033 0.000 0.944 77 Q CA 0.126 55.950 55.803 0.035 0.000 0.908 77 Q CB 0.214 28.969 28.738 0.028 0.000 1.002 77 Q HN 0.139 nan 8.270 nan 0.000 0.493 78 V N 2.704 122.645 119.914 0.045 0.000 2.405 78 V HA 0.064 4.183 4.120 -0.001 0.000 0.264 78 V C 1.361 177.476 176.094 0.035 0.000 1.048 78 V CA 0.727 63.049 62.300 0.037 0.000 0.966 78 V CB 0.692 32.545 31.823 0.050 0.000 1.015 78 V HN 0.340 nan 8.190 nan 0.000 0.477 79 T N -0.099 114.466 114.554 0.018 0.000 2.971 79 T HA 0.148 4.498 4.350 -0.001 0.000 0.252 79 T C 0.658 175.361 174.700 0.005 0.000 1.022 79 T CA 0.532 62.642 62.100 0.017 0.000 0.980 79 T CB 0.395 69.270 68.868 0.012 0.000 1.044 79 T HN 0.710 nan 8.240 nan 0.000 0.501 80 T N 0.171 114.719 114.554 -0.011 0.000 2.903 80 T HA 0.743 5.092 4.350 -0.001 0.000 0.299 80 T C -1.610 173.053 174.700 -0.062 0.000 1.093 80 T CA -0.909 61.171 62.100 -0.034 0.000 1.002 80 T CB 2.211 71.057 68.868 -0.037 0.000 1.127 80 T HN 0.125 nan 8.240 nan 0.000 0.488 81 L N 2.021 123.176 121.223 -0.112 0.000 2.541 81 L HA 0.532 4.871 4.340 -0.001 0.000 0.266 81 L C -0.907 175.791 176.870 -0.287 0.000 0.966 81 L CA -0.384 54.341 54.840 -0.191 0.000 0.871 81 L CB 2.175 44.110 42.059 -0.207 0.000 1.232 81 L HN 0.935 nan 8.230 nan 0.000 0.408 82 Q N 4.139 123.804 119.800 -0.225 0.000 2.456 82 Q HA 0.725 5.065 4.340 -0.001 0.000 0.234 82 Q C -0.380 175.476 176.000 -0.241 0.000 1.061 82 Q CA 0.518 56.193 55.803 -0.213 0.000 0.896 82 Q CB 1.303 29.965 28.738 -0.127 0.000 1.233 82 Q HN 0.659 nan 8.270 nan 0.000 0.506 83 A N 4.211 126.816 122.820 -0.359 0.000 2.616 83 A HA 0.214 4.533 4.320 -0.001 0.000 0.294 83 A C -0.431 177.068 177.584 -0.142 0.000 1.091 83 A CA -0.438 51.431 52.037 -0.281 0.000 0.971 83 A CB -0.030 18.719 19.000 -0.418 0.000 1.222 83 A HN 0.811 nan 8.150 nan 0.000 0.521 84 D N -0.167 120.161 120.400 -0.120 0.000 2.382 84 D HA 0.122 4.762 4.640 -0.001 0.000 0.240 84 D C 0.085 176.377 176.300 -0.013 0.000 1.146 84 D CA -0.134 53.840 54.000 -0.044 0.000 0.897 84 D CB 0.359 41.129 40.800 -0.049 0.000 1.197 84 D HN 0.253 nan 8.370 nan 0.000 0.432 85 R N -0.017 120.488 120.500 0.008 0.000 3.525 85 R HA -0.162 4.177 4.340 -0.001 0.000 0.276 85 R C 0.270 176.578 176.300 0.013 0.000 1.116 85 R CA 0.293 56.399 56.100 0.010 0.000 0.745 85 R CB -1.915 28.386 30.300 0.002 0.000 1.185 85 R HN 0.563 nan 8.270 nan 0.000 0.454 86 L N -0.978 120.261 121.223 0.027 0.000 2.766 86 L HA 0.219 4.558 4.340 -0.001 0.000 0.242 86 L C 1.441 178.332 176.870 0.034 0.000 1.136 86 L CA 0.538 55.395 54.840 0.028 0.000 0.933 86 L CB 0.885 42.963 42.059 0.032 0.000 1.241 86 L HN 0.557 nan 8.230 nan 0.000 0.522 87 G N 1.648 110.469 108.800 0.035 0.000 2.221 87 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.265 87 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.265 87 G C 0.161 175.082 174.900 0.036 0.000 1.041 87 G CA -0.039 45.079 45.100 0.030 0.000 0.807 87 G HN 0.312 nan 8.290 nan 0.000 0.502 88 I N -0.415 120.186 120.570 0.053 0.000 2.471 88 I HA 0.191 4.360 4.170 -0.001 0.000 0.286 88 I C 1.486 177.617 176.117 0.023 0.000 1.079 88 I CA 0.112 61.444 61.300 0.054 0.000 1.398 88 I CB 1.148 39.211 38.000 0.106 0.000 1.403 88 I HN 0.095 nan 8.210 nan 0.000 0.530 89 K N 2.706 123.113 120.400 0.011 0.000 2.335 89 K HA 0.136 4.455 4.320 -0.001 0.000 0.195 89 K C 0.423 177.006 176.600 -0.028 0.000 1.058 89 K CA 0.312 56.595 56.287 -0.006 0.000 0.988 89 K CB 0.551 33.052 32.500 0.001 0.000 0.880 89 K HN 0.539 nan 8.250 nan 0.000 0.513 90 S N 0.631 116.315 115.700 -0.027 0.000 2.547 90 S HA 0.325 4.794 4.470 -0.001 0.000 0.281 90 S C 0.085 174.644 174.600 -0.068 0.000 1.118 90 S CA -0.876 57.296 58.200 -0.047 0.000 0.947 90 S CB 0.998 64.189 63.200 -0.015 0.000 1.053 90 S HN 0.290 nan 8.310 nan 0.000 0.482 91 I N 0.220 120.703 120.570 -0.144 0.000 3.855 91 I HA 0.437 4.606 4.170 -0.001 0.000 0.327 91 I C -0.426 175.668 176.117 -0.038 0.000 1.359 91 I CA -0.532 60.662 61.300 -0.177 0.000 1.142 91 I CB -0.334 37.372 38.000 -0.490 0.000 1.041 91 I HN 0.314 nan 8.210 nan 0.000 0.403 92 D N 3.078 123.469 120.400 -0.015 0.000 2.583 92 D HA 0.239 4.878 4.640 -0.001 0.000 0.232 92 D C 1.366 177.678 176.300 0.020 0.000 1.128 92 D CA 1.880 55.873 54.000 -0.010 0.000 0.859 92 D CB 1.049 41.845 40.800 -0.006 0.000 1.169 92 D HN 0.584 nan 8.370 nan 0.000 0.481 93 G N 0.822 109.587 108.800 -0.058 0.000 2.313 93 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.215 93 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.215 93 G C 1.299 176.183 174.900 -0.027 0.000 1.023 93 G CA 0.096 45.065 45.100 -0.219 0.000 0.626 93 G HN 0.455 nan 8.290 nan 0.000 0.503 94 V N 3.470 123.490 119.914 0.176 0.000 2.594 94 V HA -0.154 3.965 4.120 -0.001 0.000 0.253 94 V C 2.843 178.977 176.094 0.067 0.000 1.069 94 V CA 2.705 65.158 62.300 0.255 0.000 1.082 94 V CB -0.269 31.670 31.823 0.192 0.000 0.680 94 V HN 0.800 nan 8.190 nan 0.000 0.469 95 E N 0.067 120.179 120.200 -0.146 0.000 2.267 95 E HA -0.272 4.077 4.350 -0.001 0.000 0.197 95 E C 1.741 178.158 176.600 -0.305 0.000 0.998 95 E CA 1.773 58.005 56.400 -0.281 0.000 0.830 95 E CB -0.582 28.857 29.700 -0.435 0.000 0.751 95 E HN 0.706 nan 8.360 nan 0.000 0.491 96 Y N 0.758 121.057 120.300 -0.002 0.000 2.546 96 Y HA 0.224 4.773 4.550 -0.001 0.000 0.287 96 Y C 1.276 177.215 175.900 0.064 0.000 1.158 96 Y CA 0.179 58.281 58.100 0.003 0.000 1.307 96 Y CB 0.060 38.484 38.460 -0.059 0.000 1.036 96 Y HN -0.093 nan 8.280 nan 0.000 0.532 97 L N 1.244 122.592 121.223 0.207 0.000 2.536 97 L HA 0.154 4.493 4.340 -0.001 0.000 0.242 97 L C 0.834 177.770 176.870 0.111 0.000 1.280 97 L CA -0.195 54.755 54.840 0.185 0.000 1.221 97 L CB -0.219 41.973 42.059 0.221 0.000 1.449 97 L HN 0.241 nan 8.230 nan 0.000 0.405 98 N N 1.034 119.789 118.700 0.092 0.000 2.258 98 N HA -0.177 4.562 4.740 -0.001 0.000 0.187 98 N C 0.875 176.414 175.510 0.049 0.000 1.012 98 N CA 1.260 54.344 53.050 0.056 0.000 0.870 98 N CB 0.077 38.596 38.487 0.053 0.000 0.977 98 N HN 0.539 nan 8.380 nan 0.000 0.434 99 N N 0.691 119.424 118.700 0.055 0.000 2.270 99 N HA 0.121 4.861 4.740 -0.001 0.000 0.198 99 N C 0.033 175.568 175.510 0.041 0.000 1.117 99 N CA -0.054 53.022 53.050 0.043 0.000 0.845 99 N CB 0.456 38.967 38.487 0.039 0.000 0.980 99 N HN 0.239 nan 8.380 nan 0.000 0.486 100 L N 1.265 122.519 121.223 0.051 0.000 2.513 100 L HA -0.016 4.323 4.340 -0.001 0.000 0.272 100 L C 1.763 178.655 176.870 0.036 0.000 1.187 100 L CA 0.349 55.218 54.840 0.048 0.000 0.895 100 L CB 0.616 42.718 42.059 0.072 0.000 1.147 100 L HN 0.179 nan 8.230 nan 0.000 0.483 101 T N -0.652 113.917 114.554 0.024 0.000 2.969 101 T HA 0.162 4.511 4.350 -0.001 0.000 0.250 101 T C 0.577 175.286 174.700 0.015 0.000 1.021 101 T CA -0.098 62.014 62.100 0.019 0.000 1.003 101 T CB 0.447 69.323 68.868 0.013 0.000 1.040 101 T HN 0.576 nan 8.240 nan 0.000 0.492 102 Q N 1.075 120.879 119.800 0.006 0.000 2.271 102 Q HA 0.646 4.985 4.340 -0.001 0.000 0.268 102 Q C -1.402 174.579 176.000 -0.031 0.000 1.021 102 Q CA -0.771 55.027 55.803 -0.008 0.000 0.802 102 Q CB 2.922 31.649 28.738 -0.017 0.000 1.282 102 Q HN 0.657 nan 8.270 nan 0.000 0.431 103 I N -0.522 120.028 120.570 -0.034 0.000 2.686 103 I HA 0.664 4.833 4.170 -0.001 0.000 0.295 103 I C -1.229 174.801 176.117 -0.145 0.000 1.114 103 I CA -0.912 60.320 61.300 -0.113 0.000 1.038 103 I CB 2.352 40.362 38.000 0.017 0.000 1.238 103 I HN 0.360 nan 8.210 nan 0.000 0.420 104 N N 4.617 123.125 118.700 -0.320 0.000 2.573 104 N HA 0.437 5.176 4.740 -0.001 0.000 0.262 104 N C -1.361 173.896 175.510 -0.423 0.000 1.029 104 N CA -0.597 52.303 53.050 -0.250 0.000 0.882 104 N CB 0.818 39.200 38.487 -0.174 0.000 1.204 104 N HN 0.673 nan 8.380 nan 0.000 0.519 105 F N 0.627 120.556 119.950 -0.035 0.000 2.735 105 F HA 0.228 4.754 4.527 -0.001 0.000 0.304 105 F C 1.322 177.091 175.800 -0.052 0.000 1.119 105 F CA -0.501 57.477 58.000 -0.035 0.000 1.280 105 F CB -0.063 38.922 39.000 -0.026 0.000 0.994 105 F HN 0.279 nan 8.300 nan 0.000 0.520 106 S N 0.319 116.044 115.700 0.043 0.000 2.576 106 S HA 0.033 4.502 4.470 -0.001 0.000 0.272 106 S C 0.666 175.265 174.600 -0.003 0.000 1.352 106 S CA -0.453 57.734 58.200 -0.021 0.000 1.021 106 S CB 0.236 63.387 63.200 -0.081 0.000 0.887 106 S HN 0.481 nan 8.310 nan 0.000 0.542 107 N N 1.799 120.485 118.700 -0.024 0.000 2.727 107 N HA -0.146 4.593 4.740 -0.001 0.000 0.251 107 N C -0.739 174.782 175.510 0.018 0.000 1.040 107 N CA 0.745 53.792 53.050 -0.004 0.000 0.712 107 N CB -1.542 36.944 38.487 -0.001 0.000 0.912 107 N HN 0.710 nan 8.380 nan 0.000 0.545 108 N N 0.294 119.010 118.700 0.026 0.000 3.512 108 N HA 0.299 5.039 4.740 -0.001 0.000 0.360 108 N C 0.090 175.611 175.510 0.019 0.000 1.593 108 N CA -0.341 52.732 53.050 0.039 0.000 0.672 108 N CB 0.441 38.976 38.487 0.080 0.000 2.105 108 N HN 0.143 nan 8.380 nan 0.000 0.645 109 Q N 0.764 120.572 119.800 0.014 0.000 2.217 109 Q HA 0.429 4.768 4.340 -0.001 0.000 0.340 109 Q C -0.667 175.326 176.000 -0.011 0.000 0.893 109 Q CA -0.122 55.682 55.803 0.002 0.000 1.142 109 Q CB 0.606 29.348 28.738 0.005 0.000 1.288 109 Q HN 0.302 nan 8.270 nan 0.000 0.426 110 L N -0.259 120.951 121.223 -0.021 0.000 2.417 110 L HA 0.252 4.591 4.340 -0.001 0.000 0.268 110 L C 0.776 177.623 176.870 -0.039 0.000 1.158 110 L CA 0.321 55.133 54.840 -0.046 0.000 0.819 110 L CB 1.008 43.021 42.059 -0.077 0.000 1.112 110 L HN 0.233 nan 8.230 nan 0.000 0.458 111 T N -0.935 113.592 114.554 -0.044 0.000 3.361 111 T HA 0.014 4.363 4.350 -0.001 0.000 0.241 111 T C -0.294 174.381 174.700 -0.043 0.000 0.998 111 T CA -0.224 61.855 62.100 -0.035 0.000 1.215 111 T CB 0.115 68.968 68.868 -0.025 0.000 1.196 111 T HN 0.616 nan 8.240 nan 0.000 0.376 112 D N 1.935 122.306 120.400 -0.048 0.000 2.390 112 D HA 0.187 4.827 4.640 -0.001 0.000 0.249 112 D C 0.590 176.845 176.300 -0.075 0.000 1.144 112 D CA -0.100 53.868 54.000 -0.053 0.000 0.880 112 D CB 0.410 41.181 40.800 -0.049 0.000 1.182 112 D HN 0.491 nan 8.370 nan 0.000 0.451 113 I N 0.027 120.555 120.570 -0.070 0.000 3.947 113 I HA 0.200 4.369 4.170 -0.001 0.000 0.327 113 I C 1.075 177.149 176.117 -0.072 0.000 1.519 113 I CA -0.583 60.666 61.300 -0.085 0.000 1.122 113 I CB 0.399 38.355 38.000 -0.072 0.000 1.146 113 I HN 0.146 nan 8.210 nan 0.000 0.442 114 T N 2.437 116.952 114.554 -0.065 0.000 2.685 114 T HA -0.101 4.248 4.350 -0.001 0.000 0.268 114 T C -0.515 174.140 174.700 -0.075 0.000 1.034 114 T CA 2.138 64.201 62.100 -0.061 0.000 1.149 114 T CB -1.304 67.531 68.868 -0.055 0.000 0.860 114 T HN 0.371 nan 8.240 nan 0.000 0.449 115 P HA 0.045 nan 4.420 nan 0.000 0.226 115 P C 1.111 178.361 177.300 -0.083 0.000 1.146 115 P CA 0.740 63.776 63.100 -0.107 0.000 0.773 115 P CB -0.280 31.353 31.700 -0.111 0.000 0.772 116 L N -1.052 120.134 121.223 -0.062 0.000 2.492 116 L HA -0.003 4.336 4.340 -0.001 0.000 0.223 116 L C 2.367 179.220 176.870 -0.028 0.000 1.132 116 L CA 0.666 55.488 54.840 -0.030 0.000 0.850 116 L CB -0.602 41.448 42.059 -0.016 0.000 0.966 116 L HN -0.020 nan 8.230 nan 0.000 0.454 117 K N 1.508 121.883 120.400 -0.041 0.000 2.089 117 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 117 K C 0.974 177.557 176.600 -0.028 0.000 1.048 117 K CA 2.146 58.413 56.287 -0.034 0.000 0.926 117 K CB -0.019 32.456 32.500 -0.041 0.000 0.714 117 K HN 0.438 nan 8.250 nan 0.000 0.448 118 N N -0.060 118.618 118.700 -0.037 0.000 2.238 118 N HA 0.130 4.869 4.740 -0.001 0.000 0.222 118 N C -0.768 174.732 175.510 -0.017 0.000 1.133 118 N CA -0.241 52.792 53.050 -0.029 0.000 0.854 118 N CB 0.558 39.022 38.487 -0.039 0.000 1.041 118 N HN 0.041 nan 8.380 nan 0.000 0.510 119 L N 1.744 122.961 121.223 -0.009 0.000 2.480 119 L HA 0.143 4.482 4.340 -0.001 0.000 0.243 119 L C 1.365 178.242 176.870 0.013 0.000 1.315 119 L CA -0.138 54.707 54.840 0.008 0.000 1.231 119 L CB -0.506 41.566 42.059 0.022 0.000 1.444 119 L HN 0.284 nan 8.230 nan 0.000 0.409 120 T N -3.925 110.634 114.554 0.008 0.000 3.113 120 T HA -0.068 4.282 4.350 -0.001 0.000 0.263 120 T C 1.461 176.168 174.700 0.013 0.000 1.143 120 T CA 0.448 62.554 62.100 0.009 0.000 1.090 120 T CB -0.044 68.826 68.868 0.005 0.000 0.922 120 T HN 0.351 nan 8.240 nan 0.000 0.521 121 K N 0.696 121.106 120.400 0.016 0.000 2.486 121 K HA 0.223 4.542 4.320 -0.001 0.000 0.194 121 K C 0.458 177.071 176.600 0.020 0.000 1.033 121 K CA -0.024 56.274 56.287 0.018 0.000 1.004 121 K CB -0.197 32.315 32.500 0.020 0.000 0.798 121 K HN 0.448 nan 8.250 nan 0.000 0.495 122 L N 1.901 123.138 121.223 0.024 0.000 2.513 122 L HA -0.051 4.288 4.340 -0.001 0.000 0.272 122 L C 1.477 178.360 176.870 0.022 0.000 1.187 122 L CA -0.252 54.604 54.840 0.027 0.000 0.895 122 L CB 0.734 42.814 42.059 0.035 0.000 1.147 122 L HN -0.050 nan 8.230 nan 0.000 0.483 123 V N -1.394 118.532 119.914 0.020 0.000 3.484 123 V HA 0.319 4.439 4.120 -0.001 0.000 0.252 123 V C 0.172 176.277 176.094 0.019 0.000 1.282 123 V CA 0.157 62.468 62.300 0.018 0.000 1.104 123 V CB 0.710 32.541 31.823 0.014 0.000 0.868 123 V HN 0.758 nan 8.190 nan 0.000 0.457 124 D N -0.373 120.039 120.400 0.019 0.000 2.896 124 D HA 0.671 5.310 4.640 -0.001 0.000 0.241 124 D C -1.234 175.079 176.300 0.022 0.000 1.188 124 D CA -0.294 53.718 54.000 0.019 0.000 0.879 124 D CB 2.167 42.974 40.800 0.012 0.000 1.553 124 D HN 0.297 nan 8.370 nan 0.000 0.515 125 I N 3.944 124.531 120.570 0.028 0.000 2.447 125 I HA 0.317 4.486 4.170 -0.001 0.000 0.287 125 I C -0.843 175.288 176.117 0.024 0.000 1.023 125 I CA -0.736 60.587 61.300 0.038 0.000 1.083 125 I CB 1.686 39.717 38.000 0.052 0.000 1.245 125 I HN 0.257 nan 8.210 nan 0.000 0.434 126 L N 7.155 128.385 121.223 0.011 0.000 2.276 126 L HA 0.512 4.851 4.340 -0.001 0.000 0.286 126 L C 0.244 177.106 176.870 -0.012 0.000 1.024 126 L CA -0.029 54.800 54.840 -0.019 0.000 0.826 126 L CB 1.277 43.316 42.059 -0.033 0.000 1.211 126 L HN 0.715 nan 8.230 nan 0.000 0.422 127 M N 2.447 122.013 119.600 -0.056 0.000 2.540 127 M HA 0.103 4.582 4.480 -0.001 0.000 0.404 127 M C -0.071 176.137 176.300 -0.154 0.000 1.133 127 M CA -0.383 54.891 55.300 -0.044 0.000 0.900 127 M CB 0.587 33.194 32.600 0.012 0.000 1.540 127 M HN 0.598 nan 8.290 nan 0.000 0.539 128 N N 1.174 119.667 118.700 -0.344 0.000 2.374 128 N HA -0.075 4.664 4.740 -0.001 0.000 0.241 128 N C 0.027 175.345 175.510 -0.320 0.000 1.262 128 N CA 0.443 53.134 53.050 -0.597 0.000 0.880 128 N CB 0.224 37.790 38.487 -1.534 0.000 1.105 128 N HN 0.245 nan 8.380 nan 0.000 0.438 129 N N 0.120 118.684 118.700 -0.226 0.000 2.699 129 N HA -0.175 4.564 4.740 -0.001 0.000 0.257 129 N C -1.511 173.969 175.510 -0.050 0.000 1.077 129 N CA 0.489 53.488 53.050 -0.085 0.000 0.702 129 N CB -1.116 37.341 38.487 -0.051 0.000 0.886 129 N HN 0.736 nan 8.380 nan 0.000 0.549 130 N N 0.203 118.877 118.700 -0.042 0.000 3.439 130 N HA 0.386 5.125 4.740 -0.001 0.000 0.343 130 N C -0.585 174.917 175.510 -0.014 0.000 1.597 130 N CA -0.365 52.672 53.050 -0.022 0.000 0.733 130 N CB 0.354 38.826 38.487 -0.025 0.000 1.973 130 N HN 0.215 nan 8.380 nan 0.000 0.646 131 Q N 0.814 120.606 119.800 -0.013 0.000 2.318 131 Q HA 0.491 4.831 4.340 -0.001 0.000 0.371 131 Q C -0.804 175.189 176.000 -0.011 0.000 0.896 131 Q CA -0.053 55.746 55.803 -0.007 0.000 1.134 131 Q CB 0.270 29.005 28.738 -0.004 0.000 1.329 131 Q HN 0.414 nan 8.270 nan 0.000 0.413 132 I N 0.349 120.911 120.570 -0.014 0.000 2.452 132 I HA 0.224 4.394 4.170 -0.001 0.000 0.287 132 I C 0.896 177.009 176.117 -0.007 0.000 1.079 132 I CA -0.104 61.186 61.300 -0.016 0.000 1.387 132 I CB 1.358 39.346 38.000 -0.020 0.000 1.404 132 I HN 0.358 nan 8.210 nan 0.000 0.522 133 A N 4.163 126.979 122.820 -0.008 0.000 2.026 133 A HA 0.090 4.409 4.320 -0.001 0.000 0.201 133 A C 0.662 178.243 177.584 -0.006 0.000 1.318 133 A CA 0.219 52.253 52.037 -0.004 0.000 0.857 133 A CB 0.195 19.193 19.000 -0.003 0.000 0.939 133 A HN 0.634 nan 8.150 nan 0.000 0.476 134 D N 0.808 121.202 120.400 -0.011 0.000 2.443 134 D HA 0.351 4.990 4.640 -0.001 0.000 0.221 134 D C 0.628 176.919 176.300 -0.014 0.000 1.097 134 D CA -0.459 53.533 54.000 -0.012 0.000 0.865 134 D CB 0.468 41.259 40.800 -0.015 0.000 1.034 134 D HN 0.433 nan 8.370 nan 0.000 0.511 135 I N 0.497 121.061 120.570 -0.010 0.000 3.861 135 I HA 0.115 4.284 4.170 -0.001 0.000 0.329 135 I C 1.070 177.181 176.117 -0.011 0.000 1.321 135 I CA -0.338 60.956 61.300 -0.009 0.000 1.126 135 I CB 0.013 38.011 38.000 -0.002 0.000 1.018 135 I HN 0.012 nan 8.210 nan 0.000 0.407 136 T N 2.507 117.054 114.554 -0.013 0.000 2.721 136 T HA -0.089 4.260 4.350 -0.001 0.000 0.268 136 T C -0.474 174.217 174.700 -0.015 0.000 1.038 136 T CA 1.863 63.955 62.100 -0.014 0.000 1.145 136 T CB -1.263 67.596 68.868 -0.015 0.000 0.858 136 T HN 0.399 nan 8.240 nan 0.000 0.459 137 P HA 0.068 nan 4.420 nan 0.000 0.231 137 P C 0.975 178.265 177.300 -0.016 0.000 1.158 137 P CA 0.725 63.812 63.100 -0.022 0.000 0.763 137 P CB -0.268 31.414 31.700 -0.031 0.000 0.805 138 L N -2.091 119.126 121.223 -0.010 0.000 2.558 138 L HA 0.147 4.486 4.340 -0.001 0.000 0.225 138 L C 2.223 179.092 176.870 -0.002 0.000 1.128 138 L CA 0.261 55.100 54.840 -0.003 0.000 0.868 138 L CB -0.724 41.336 42.059 0.002 0.000 1.006 138 L HN -0.050 nan 8.230 nan 0.000 0.454 139 A N 0.782 123.599 122.820 -0.006 0.000 1.940 139 A HA -0.243 4.076 4.320 -0.001 0.000 0.219 139 A C 1.934 179.516 177.584 -0.004 0.000 1.176 139 A CA 2.136 54.170 52.037 -0.005 0.000 0.631 139 A CB -0.455 18.540 19.000 -0.008 0.000 0.814 139 A HN 0.448 nan 8.150 nan 0.000 0.446 140 N N -0.604 118.093 118.700 -0.005 0.000 2.235 140 N HA 0.165 4.904 4.740 -0.001 0.000 0.209 140 N C -0.132 175.378 175.510 0.000 0.000 1.122 140 N CA -0.052 52.996 53.050 -0.003 0.000 0.845 140 N CB -0.204 38.280 38.487 -0.006 0.000 1.004 140 N HN 0.367 nan 8.380 nan 0.000 0.499 141 L N 1.446 122.670 121.223 0.002 0.000 2.480 141 L HA 0.168 4.507 4.340 -0.001 0.000 0.243 141 L C 1.277 178.152 176.870 0.009 0.000 1.315 141 L CA -0.102 54.742 54.840 0.007 0.000 1.231 141 L CB -0.466 41.599 42.059 0.010 0.000 1.444 141 L HN 0.219 nan 8.230 nan 0.000 0.409 142 T N -4.193 110.365 114.554 0.007 0.000 3.072 142 T HA -0.059 4.290 4.350 -0.001 0.000 0.266 142 T C 1.364 176.070 174.700 0.009 0.000 1.127 142 T CA 0.434 62.538 62.100 0.007 0.000 1.107 142 T CB -0.083 68.788 68.868 0.005 0.000 0.910 142 T HN 0.358 nan 8.240 nan 0.000 0.513 143 N N 1.025 119.731 118.700 0.010 0.000 2.467 143 N HA 0.184 4.923 4.740 -0.001 0.000 0.184 143 N C 0.271 175.789 175.510 0.014 0.000 1.106 143 N CA 0.043 53.100 53.050 0.012 0.000 0.892 143 N CB -0.180 38.314 38.487 0.012 0.000 0.969 143 N HN 0.479 nan 8.380 nan 0.000 0.454 144 L N 1.395 122.628 121.223 0.016 0.000 2.513 144 L HA -0.012 4.327 4.340 -0.001 0.000 0.272 144 L C 1.583 178.465 176.870 0.019 0.000 1.187 144 L CA 0.274 55.126 54.840 0.019 0.000 0.895 144 L CB 0.498 42.569 42.059 0.021 0.000 1.147 144 L HN 0.155 nan 8.230 nan 0.000 0.483 145 T N -1.782 112.784 114.554 0.020 0.000 2.985 145 T HA 0.245 4.594 4.350 -0.001 0.000 0.254 145 T C 0.576 175.292 174.700 0.026 0.000 1.021 145 T CA 0.210 62.323 62.100 0.021 0.000 0.957 145 T CB 0.599 69.478 68.868 0.018 0.000 1.047 145 T HN 0.620 nan 8.240 nan 0.000 0.511 146 G N 1.321 110.138 108.800 0.028 0.000 2.739 146 G HA2 0.609 4.569 3.960 -0.001 0.000 0.291 146 G HA3 0.609 4.569 3.960 -0.001 0.000 0.291 146 G C -2.033 172.890 174.900 0.038 0.000 1.478 146 G CA -0.624 44.497 45.100 0.035 0.000 1.062 146 G HN 0.308 nan 8.290 nan 0.000 0.532 147 L N 2.068 123.319 121.223 0.048 0.000 2.446 147 L HA 0.675 5.014 4.340 -0.001 0.000 0.268 147 L C -0.409 176.499 176.870 0.063 0.000 0.975 147 L CA -0.334 54.534 54.840 0.047 0.000 0.848 147 L CB 2.114 44.199 42.059 0.043 0.000 1.225 147 L HN 0.372 nan 8.230 nan 0.000 0.410 148 T N 6.676 121.259 114.554 0.047 0.000 2.770 148 T HA 0.512 4.861 4.350 -0.001 0.000 0.297 148 T C 0.660 175.336 174.700 -0.039 0.000 0.997 148 T CA -0.054 62.075 62.100 0.048 0.000 0.949 148 T CB 0.651 69.540 68.868 0.034 0.000 0.941 148 T HN 0.549 nan 8.240 nan 0.000 0.457 149 L N 3.114 124.339 121.223 0.003 0.000 3.333 149 L HA 0.371 4.710 4.340 -0.001 0.000 0.299 149 L C 0.078 176.949 176.870 0.002 0.000 1.256 149 L CA -0.615 54.207 54.840 -0.030 0.000 1.037 149 L CB 0.114 42.189 42.059 0.026 0.000 1.423 149 L HN 0.620 nan 8.230 nan 0.000 0.605 150 F N -0.970 119.001 119.950 0.035 0.000 2.496 150 F HA 0.324 4.851 4.527 -0.001 0.000 0.344 150 F C 1.086 176.902 175.800 0.027 0.000 1.155 150 F CA -0.696 57.323 58.000 0.031 0.000 1.302 150 F CB 0.030 39.044 39.000 0.023 0.000 1.159 150 F HN 0.093 nan 8.300 nan 0.000 0.595 151 N N 2.164 121.012 118.700 0.247 0.000 2.663 151 N HA -0.237 4.503 4.740 -0.001 0.000 0.263 151 N C -1.470 174.061 175.510 0.035 0.000 1.109 151 N CA 0.622 53.752 53.050 0.134 0.000 0.701 151 N CB -1.053 37.537 38.487 0.170 0.000 0.879 151 N HN 0.898 nan 8.380 nan 0.000 0.550 152 N N 0.363 119.088 118.700 0.042 0.000 3.566 152 N HA 0.338 5.078 4.740 -0.001 0.000 0.354 152 N C -0.473 175.054 175.510 0.027 0.000 1.632 152 N CA -0.354 52.707 53.050 0.017 0.000 0.690 152 N CB 0.396 38.885 38.487 0.002 0.000 2.273 152 N HN 0.331 nan 8.380 nan 0.000 0.643 153 Q N 0.762 120.573 119.800 0.019 0.000 2.217 153 Q HA 0.471 4.810 4.340 -0.001 0.000 0.340 153 Q C -0.763 175.248 176.000 0.017 0.000 0.893 153 Q CA -0.062 55.752 55.803 0.018 0.000 1.142 153 Q CB 0.574 29.318 28.738 0.011 0.000 1.288 153 Q HN 0.405 nan 8.270 nan 0.000 0.426 154 I N -0.050 120.535 120.570 0.025 0.000 2.365 154 I HA 0.156 4.325 4.170 -0.001 0.000 0.291 154 I C 0.822 176.953 176.117 0.024 0.000 1.004 154 I CA 0.139 61.452 61.300 0.022 0.000 1.311 154 I CB 1.675 39.691 38.000 0.028 0.000 1.401 154 I HN 0.134 nan 8.210 nan 0.000 0.491 155 T N 1.608 116.170 114.554 0.013 0.000 3.085 155 T HA 0.029 4.378 4.350 -0.001 0.000 0.241 155 T C 0.223 174.923 174.700 -0.000 0.000 0.988 155 T CA 0.179 62.284 62.100 0.010 0.000 1.117 155 T CB 0.105 68.976 68.868 0.006 0.000 0.978 155 T HN 0.524 nan 8.240 nan 0.000 0.454 156 D N 2.177 122.576 120.400 -0.003 0.000 2.396 156 D HA 0.208 4.847 4.640 -0.001 0.000 0.225 156 D C 0.690 176.984 176.300 -0.011 0.000 1.121 156 D CA -0.615 53.379 54.000 -0.010 0.000 0.853 156 D CB 0.447 41.242 40.800 -0.009 0.000 1.043 156 D HN 0.440 nan 8.370 nan 0.000 0.500 157 I N -0.029 120.529 120.570 -0.019 0.000 3.904 157 I HA 0.235 4.405 4.170 -0.001 0.000 0.333 157 I C 0.612 176.716 176.117 -0.023 0.000 1.361 157 I CA -0.404 60.885 61.300 -0.019 0.000 1.116 157 I CB 0.415 38.399 38.000 -0.026 0.000 1.028 157 I HN -0.012 nan 8.210 nan 0.000 0.398 158 D N 3.277 123.664 120.400 -0.023 0.000 2.158 158 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 158 D C -0.469 175.821 176.300 -0.016 0.000 0.995 158 D CA 1.516 55.503 54.000 -0.021 0.000 0.846 158 D CB -1.479 39.310 40.800 -0.019 0.000 0.941 158 D HN 0.378 nan 8.370 nan 0.000 0.456 159 P HA -0.036 nan 4.420 nan 0.000 0.231 159 P C 1.300 178.596 177.300 -0.006 0.000 1.158 159 P CA 0.582 63.676 63.100 -0.009 0.000 0.763 159 P CB -0.124 31.571 31.700 -0.008 0.000 0.805 160 L N -0.379 120.840 121.223 -0.007 0.000 2.554 160 L HA 0.013 4.352 4.340 -0.001 0.000 0.226 160 L C 2.288 179.155 176.870 -0.005 0.000 1.137 160 L CA 0.532 55.371 54.840 -0.002 0.000 0.863 160 L CB -0.766 41.293 42.059 0.000 0.000 0.985 160 L HN 0.108 nan 8.230 nan 0.000 0.451 161 K N -0.245 120.149 120.400 -0.010 0.000 2.152 161 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 161 K C 1.099 177.696 176.600 -0.006 0.000 1.048 161 K CA 1.609 57.890 56.287 -0.011 0.000 0.933 161 K CB -0.255 32.236 32.500 -0.014 0.000 0.721 161 K HN 0.238 nan 8.250 nan 0.000 0.447 162 N N 0.768 119.466 118.700 -0.004 0.000 2.280 162 N HA 0.101 4.840 4.740 -0.001 0.000 0.192 162 N C -0.066 175.445 175.510 0.002 0.000 1.109 162 N CA 0.287 53.336 53.050 -0.001 0.000 0.855 162 N CB 0.367 38.853 38.487 -0.002 0.000 0.974 162 N HN 0.223 nan 8.380 nan 0.000 0.482 163 L N 1.561 122.787 121.223 0.004 0.000 2.727 163 L HA 0.153 4.492 4.340 -0.001 0.000 0.237 163 L C 1.455 178.331 176.870 0.010 0.000 1.370 163 L CA -0.115 54.730 54.840 0.008 0.000 1.248 163 L CB -0.632 41.434 42.059 0.011 0.000 1.556 163 L HN 0.042 nan 8.230 nan 0.000 0.420 164 T N -4.470 110.089 114.554 0.008 0.000 3.113 164 T HA -0.056 4.294 4.350 -0.001 0.000 0.263 164 T C 1.312 176.018 174.700 0.011 0.000 1.143 164 T CA 0.511 62.616 62.100 0.009 0.000 1.090 164 T CB -0.138 68.734 68.868 0.006 0.000 0.922 164 T HN 0.371 nan 8.240 nan 0.000 0.521 165 N N 0.842 119.549 118.700 0.012 0.000 2.336 165 N HA 0.217 4.957 4.740 -0.001 0.000 0.189 165 N C 0.225 175.745 175.510 0.017 0.000 1.113 165 N CA -0.024 53.034 53.050 0.013 0.000 0.858 165 N CB -0.005 38.489 38.487 0.012 0.000 0.970 165 N HN 0.465 nan 8.380 nan 0.000 0.471 166 L N 1.685 122.920 121.223 0.019 0.000 2.559 166 L HA -0.012 4.327 4.340 -0.001 0.000 0.274 166 L C 1.196 178.082 176.870 0.026 0.000 1.205 166 L CA 0.084 54.938 54.840 0.025 0.000 0.907 166 L CB 0.371 42.448 42.059 0.029 0.000 1.153 166 L HN 0.029 nan 8.230 nan 0.000 0.490 167 N N 2.150 120.866 118.700 0.027 0.000 2.545 167 N HA 0.076 4.815 4.740 -0.001 0.000 0.190 167 N C 0.289 175.819 175.510 0.033 0.000 1.043 167 N CA 0.484 53.550 53.050 0.027 0.000 0.879 167 N CB 0.414 38.914 38.487 0.022 0.000 1.210 167 N HN 0.478 nan 8.380 nan 0.000 0.437 168 R N 0.906 121.429 120.500 0.038 0.000 2.439 168 R HA 0.418 4.757 4.340 -0.001 0.000 0.310 168 R C -1.721 174.615 176.300 0.061 0.000 0.955 168 R CA -0.512 55.617 56.100 0.048 0.000 0.853 168 R CB 0.876 31.203 30.300 0.046 0.000 1.171 168 R HN -0.047 nan 8.270 nan 0.000 0.449 169 L N 3.446 124.714 121.223 0.076 0.000 2.482 169 L HA 0.441 4.780 4.340 -0.001 0.000 0.269 169 L C -1.595 175.349 176.870 0.123 0.000 0.967 169 L CA -0.184 54.713 54.840 0.094 0.000 0.851 169 L CB 2.147 44.260 42.059 0.090 0.000 1.242 169 L HN 0.630 nan 8.230 nan 0.000 0.404 170 E N 5.575 125.868 120.200 0.155 0.000 2.185 170 E HA 0.492 4.841 4.350 -0.001 0.000 0.261 170 E C -0.189 176.556 176.600 0.240 0.000 0.879 170 E CA -0.104 56.422 56.400 0.210 0.000 0.756 170 E CB 1.841 31.740 29.700 0.332 0.000 1.152 170 E HN 0.650 nan 8.360 nan 0.000 0.416 171 L N 1.739 123.095 121.223 0.221 0.000 3.135 171 L HA 0.156 4.496 4.340 -0.001 0.000 0.279 171 L C 0.375 177.372 176.870 0.211 0.000 1.200 171 L CA -0.187 54.782 54.840 0.215 0.000 1.016 171 L CB 0.622 42.806 42.059 0.209 0.000 1.391 171 L HN 0.441 nan 8.230 nan 0.000 0.588 172 S N -1.078 114.726 115.700 0.173 0.000 2.580 172 S HA 0.076 4.545 4.470 -0.001 0.000 0.261 172 S C 0.994 175.683 174.600 0.149 0.000 1.366 172 S CA 0.106 58.367 58.200 0.101 0.000 0.996 172 S CB 0.845 64.025 63.200 -0.032 0.000 0.902 172 S HN 0.266 nan 8.310 nan 0.000 0.566 173 S N 0.972 116.731 115.700 0.098 0.000 3.614 173 S HA -0.138 4.331 4.470 -0.001 0.000 0.360 173 S C 0.027 174.690 174.600 0.105 0.000 1.023 173 S CA 0.810 59.071 58.200 0.102 0.000 1.114 173 S CB -2.069 61.208 63.200 0.129 0.000 0.907 173 S HN 0.789 nan 8.310 nan 0.000 0.470 174 N N 0.349 119.109 118.700 0.100 0.000 3.100 174 N HA 0.558 5.297 4.740 -0.001 0.000 0.344 174 N C 0.446 175.997 175.510 0.069 0.000 1.413 174 N CA 0.021 53.120 53.050 0.083 0.000 0.752 174 N CB 1.215 39.756 38.487 0.090 0.000 1.519 174 N HN 0.340 nan 8.380 nan 0.000 0.620 175 T N -1.627 112.960 114.554 0.055 0.000 3.393 175 T HA 0.481 4.830 4.350 -0.001 0.000 0.255 175 T C 0.273 174.997 174.700 0.040 0.000 1.008 175 T CA -0.336 61.791 62.100 0.045 0.000 1.053 175 T CB -1.077 67.810 68.868 0.032 0.000 1.120 175 T HN 0.263 nan 8.240 nan 0.000 0.538 176 I N 2.457 123.059 120.570 0.053 0.000 2.441 176 I HA 0.262 4.431 4.170 -0.001 0.000 0.287 176 I C 1.375 177.507 176.117 0.025 0.000 1.049 176 I CA -0.320 60.999 61.300 0.031 0.000 1.381 176 I CB 1.494 39.514 38.000 0.033 0.000 1.409 176 I HN 0.499 nan 8.210 nan 0.000 0.523 177 S N 1.947 117.646 115.700 -0.003 0.000 2.554 177 S HA 0.128 4.598 4.470 -0.001 0.000 0.227 177 S C 0.205 174.779 174.600 -0.043 0.000 1.050 177 S CA -0.320 57.876 58.200 -0.007 0.000 0.927 177 S CB 0.258 63.459 63.200 0.001 0.000 0.859 177 S HN 0.643 nan 8.310 nan 0.000 0.494 178 D N 1.986 122.347 120.400 -0.065 0.000 2.440 178 D HA 0.371 5.010 4.640 -0.001 0.000 0.239 178 D C 0.364 176.580 176.300 -0.139 0.000 1.084 178 D CA -0.756 53.193 54.000 -0.085 0.000 0.843 178 D CB 1.202 41.969 40.800 -0.055 0.000 1.097 178 D HN 0.446 nan 8.370 nan 0.000 0.531 179 I N 0.695 121.145 120.570 -0.200 0.000 3.884 179 I HA 0.219 4.388 4.170 -0.001 0.000 0.330 179 I C 1.001 177.015 176.117 -0.171 0.000 1.451 179 I CA -0.433 60.703 61.300 -0.272 0.000 1.165 179 I CB 0.306 37.974 38.000 -0.554 0.000 1.097 179 I HN -0.006 nan 8.210 nan 0.000 0.404 180 S N 2.111 117.745 115.700 -0.109 0.000 2.387 180 S HA -0.191 4.278 4.470 -0.001 0.000 0.230 180 S C 2.236 176.799 174.600 -0.062 0.000 1.035 180 S CA 1.704 59.861 58.200 -0.072 0.000 1.014 180 S CB -0.229 62.940 63.200 -0.052 0.000 0.836 180 S HN 0.762 nan 8.310 nan 0.000 0.466 181 A N 0.882 123.663 122.820 -0.066 0.000 2.178 181 A HA 0.081 4.400 4.320 -0.001 0.000 0.218 181 A C 1.824 179.381 177.584 -0.046 0.000 1.157 181 A CA 0.803 52.810 52.037 -0.049 0.000 0.689 181 A CB -0.561 18.413 19.000 -0.044 0.000 0.787 181 A HN 0.507 nan 8.150 nan 0.000 0.465 182 L N 0.125 121.309 121.223 -0.066 0.000 2.509 182 L HA -0.057 4.282 4.340 -0.001 0.000 0.222 182 L C 2.674 179.528 176.870 -0.028 0.000 1.123 182 L CA 0.912 55.723 54.840 -0.049 0.000 0.856 182 L CB -0.373 41.639 42.059 -0.078 0.000 0.985 182 L HN 0.568 nan 8.230 nan 0.000 0.456 183 S N 0.145 115.826 115.700 -0.031 0.000 2.419 183 S HA -0.129 4.340 4.470 -0.001 0.000 0.235 183 S C 1.792 176.387 174.600 -0.008 0.000 1.019 183 S CA 1.183 59.372 58.200 -0.018 0.000 0.982 183 S CB -0.607 62.580 63.200 -0.021 0.000 0.789 183 S HN 0.430 nan 8.310 nan 0.000 0.490 184 G N 0.571 109.366 108.800 -0.008 0.000 3.189 184 G HA2 0.390 4.349 3.960 -0.001 0.000 0.225 184 G HA3 0.390 4.349 3.960 -0.001 0.000 0.225 184 G C 0.436 175.337 174.900 0.002 0.000 1.159 184 G CA -0.431 44.667 45.100 -0.003 0.000 0.763 184 G HN 0.520 nan 8.290 nan 0.000 0.549 185 L N 2.729 123.955 121.223 0.005 0.000 2.583 185 L HA 0.156 4.495 4.340 -0.001 0.000 0.239 185 L C 1.765 178.644 176.870 0.016 0.000 1.347 185 L CA -0.173 54.674 54.840 0.012 0.000 1.246 185 L CB -0.149 41.920 42.059 0.016 0.000 1.496 185 L HN 0.171 nan 8.230 nan 0.000 0.413 186 T N -5.277 109.285 114.554 0.012 0.000 3.215 186 T HA -0.013 4.336 4.350 -0.001 0.000 0.254 186 T C 1.309 176.017 174.700 0.014 0.000 1.149 186 T CA 0.310 62.417 62.100 0.013 0.000 1.042 186 T CB 0.073 68.947 68.868 0.009 0.000 0.966 186 T HN 0.348 nan 8.240 nan 0.000 0.534 187 S N 0.289 115.998 115.700 0.016 0.000 2.559 187 S HA 0.391 4.860 4.470 -0.001 0.000 0.226 187 S C 0.507 175.120 174.600 0.020 0.000 1.000 187 S CA -0.555 57.654 58.200 0.016 0.000 0.948 187 S CB -0.044 63.165 63.200 0.014 0.000 0.870 187 S HN 0.470 nan 8.310 nan 0.000 0.497 188 L N 2.230 123.469 121.223 0.025 0.000 2.540 188 L HA 0.052 4.391 4.340 -0.001 0.000 0.276 188 L C 1.326 178.213 176.870 0.029 0.000 1.212 188 L CA 0.457 55.316 54.840 0.032 0.000 0.893 188 L CB 0.435 42.520 42.059 0.044 0.000 1.138 188 L HN 0.285 nan 8.230 nan 0.000 0.491 189 Q N 1.602 121.418 119.800 0.027 0.000 2.471 189 Q HA 0.112 4.451 4.340 -0.001 0.000 0.241 189 Q C -0.399 175.612 176.000 0.019 0.000 0.886 189 Q CA 0.215 56.030 55.803 0.020 0.000 0.953 189 Q CB 0.881 29.629 28.738 0.016 0.000 1.108 189 Q HN 0.599 nan 8.270 nan 0.000 0.575 190 Q N 0.606 120.420 119.800 0.025 0.000 2.323 190 Q HA 0.607 4.947 4.340 -0.001 0.000 0.271 190 Q C -1.776 174.246 176.000 0.037 0.000 1.048 190 Q CA -0.313 55.502 55.803 0.020 0.000 0.792 190 Q CB 2.836 31.582 28.738 0.013 0.000 1.280 190 Q HN 0.008 nan 8.270 nan 0.000 0.441 191 L N 2.604 123.845 121.223 0.031 0.000 2.455 191 L HA 0.760 5.099 4.340 -0.001 0.000 0.264 191 L C -1.976 174.891 176.870 -0.005 0.000 0.968 191 L CA -0.246 54.633 54.840 0.066 0.000 0.827 191 L CB 2.143 44.281 42.059 0.132 0.000 1.317 191 L HN 0.834 nan 8.230 nan 0.000 0.407 192 N N 2.590 121.300 118.700 0.017 0.000 2.416 192 N HA 0.848 5.587 4.740 -0.001 0.000 0.276 192 N C -1.310 174.220 175.510 0.032 0.000 1.261 192 N CA -0.543 52.428 53.050 -0.132 0.000 0.790 192 N CB 1.791 40.189 38.487 -0.148 0.000 1.554 192 N HN 0.488 nan 8.380 nan 0.000 0.481 193 F N -3.081 116.876 119.950 0.011 0.000 2.770 193 F HA 0.932 5.458 4.527 -0.001 0.000 0.313 193 F C -0.388 175.421 175.800 0.015 0.000 1.154 193 F CA -0.761 57.253 58.000 0.023 0.000 0.923 193 F CB 1.205 40.218 39.000 0.021 0.000 1.301 193 F HN 0.815 nan 8.300 nan 0.000 0.449 194 G N 0.493 109.479 108.800 0.311 0.000 2.506 194 G HA2 0.411 4.370 3.960 -0.001 0.000 0.292 194 G HA3 0.411 4.370 3.960 -0.001 0.000 0.292 194 G C -1.820 173.175 174.900 0.157 0.000 1.425 194 G CA -0.535 44.685 45.100 0.200 0.000 0.788 194 G HN 1.307 nan 8.290 nan 0.000 0.490 195 N N -1.568 117.197 118.700 0.109 0.000 2.240 195 N HA 0.095 4.834 4.740 -0.001 0.000 0.240 195 N C 0.301 175.856 175.510 0.076 0.000 1.277 195 N CA -0.169 52.933 53.050 0.087 0.000 0.873 195 N CB 1.122 39.642 38.487 0.055 0.000 1.222 195 N HN 0.520 nan 8.380 nan 0.000 0.507 196 Q N 0.184 120.034 119.800 0.084 0.000 2.110 196 Q HA 0.318 4.657 4.340 -0.001 0.000 0.232 196 Q C -0.747 175.291 176.000 0.063 0.000 0.810 196 Q CA -0.203 55.636 55.803 0.059 0.000 1.083 196 Q CB 1.754 30.515 28.738 0.039 0.000 1.193 196 Q HN 0.065 nan 8.270 nan 0.000 0.471 197 V N 0.982 120.961 119.914 0.108 0.000 2.508 197 V HA 0.058 4.177 4.120 -0.001 0.000 0.281 197 V C 0.890 177.038 176.094 0.091 0.000 1.041 197 V CA 0.666 63.027 62.300 0.101 0.000 1.016 197 V CB 1.357 33.294 31.823 0.190 0.000 0.984 197 V HN 0.338 nan 8.190 nan 0.000 0.478 198 T N 1.854 116.438 114.554 0.051 0.000 3.056 198 T HA 0.055 4.404 4.350 -0.001 0.000 0.241 198 T C 0.485 175.209 174.700 0.040 0.000 1.006 198 T CA 0.150 62.275 62.100 0.042 0.000 1.115 198 T CB 0.082 68.964 68.868 0.024 0.000 0.939 198 T HN 0.692 nan 8.240 nan 0.000 0.462 199 D N 1.404 121.817 120.400 0.021 0.000 2.396 199 D HA 0.254 4.893 4.640 -0.001 0.000 0.225 199 D C 0.593 176.898 176.300 0.008 0.000 1.121 199 D CA -0.260 53.746 54.000 0.010 0.000 0.853 199 D CB 0.481 41.277 40.800 -0.007 0.000 1.043 199 D HN 0.143 nan 8.370 nan 0.000 0.500 200 L N 3.662 124.906 121.223 0.035 0.000 2.592 200 L HA 0.050 4.389 4.340 -0.001 0.000 0.227 200 L C 2.396 179.282 176.870 0.026 0.000 1.127 200 L CA -0.198 54.673 54.840 0.053 0.000 0.884 200 L CB -0.228 41.887 42.059 0.094 0.000 1.065 200 L HN 0.393 nan 8.230 nan 0.000 0.457 201 K N 2.124 122.529 120.400 0.009 0.000 2.077 201 K HA -0.206 4.113 4.320 -0.001 0.000 0.213 201 K C -0.746 175.851 176.600 -0.005 0.000 1.051 201 K CA 2.026 58.315 56.287 0.002 0.000 0.929 201 K CB -1.336 31.162 32.500 -0.003 0.000 0.715 201 K HN 0.202 nan 8.250 nan 0.000 0.451 202 P HA -0.076 nan 4.420 nan 0.000 0.226 202 P C 1.084 178.376 177.300 -0.014 0.000 1.146 202 P CA 0.904 63.986 63.100 -0.031 0.000 0.773 202 P CB -0.089 31.572 31.700 -0.067 0.000 0.772 203 L N -1.920 119.308 121.223 0.008 0.000 2.492 203 L HA 0.052 4.391 4.340 -0.001 0.000 0.223 203 L C 2.343 179.229 176.870 0.027 0.000 1.132 203 L CA 0.469 55.330 54.840 0.034 0.000 0.850 203 L CB -0.938 41.166 42.059 0.077 0.000 0.966 203 L HN -0.041 nan 8.230 nan 0.000 0.454 204 A N 1.217 124.048 122.820 0.017 0.000 1.915 204 A HA -0.249 4.070 4.320 -0.001 0.000 0.220 204 A C 1.808 179.400 177.584 0.013 0.000 1.198 204 A CA 2.189 54.235 52.037 0.014 0.000 0.647 204 A CB -0.478 18.527 19.000 0.008 0.000 0.825 204 A HN 0.495 nan 8.150 nan 0.000 0.456 205 N N -0.241 118.465 118.700 0.010 0.000 2.322 205 N HA 0.150 4.890 4.740 -0.001 0.000 0.194 205 N C -0.012 175.506 175.510 0.013 0.000 1.126 205 N CA 0.178 53.234 53.050 0.010 0.000 0.845 205 N CB 0.172 38.663 38.487 0.006 0.000 0.976 205 N HN 0.473 nan 8.380 nan 0.000 0.475 206 L N 1.606 122.840 121.223 0.018 0.000 2.796 206 L HA 0.147 4.487 4.340 -0.001 0.000 0.235 206 L C 1.493 178.377 176.870 0.023 0.000 1.344 206 L CA -0.063 54.791 54.840 0.023 0.000 1.245 206 L CB -0.663 41.416 42.059 0.034 0.000 1.556 206 L HN 0.063 nan 8.230 nan 0.000 0.423 207 T N -4.998 109.566 114.554 0.017 0.000 3.072 207 T HA -0.132 4.217 4.350 -0.001 0.000 0.266 207 T C 1.815 176.523 174.700 0.013 0.000 1.127 207 T CA 1.110 63.219 62.100 0.014 0.000 1.107 207 T CB -0.353 68.522 68.868 0.011 0.000 0.910 207 T HN 0.540 nan 8.240 nan 0.000 0.513 208 T N 0.447 115.010 114.554 0.015 0.000 3.072 208 T HA 0.218 4.567 4.350 -0.001 0.000 0.266 208 T C 0.841 175.550 174.700 0.015 0.000 1.127 208 T CA -0.162 61.946 62.100 0.014 0.000 1.107 208 T CB -0.813 68.064 68.868 0.014 0.000 0.910 208 T HN 0.396 nan 8.240 nan 0.000 0.513 209 L N 1.844 123.079 121.223 0.019 0.000 2.559 209 L HA 0.077 4.416 4.340 -0.001 0.000 0.274 209 L C 1.346 178.223 176.870 0.012 0.000 1.205 209 L CA 0.472 55.324 54.840 0.020 0.000 0.907 209 L CB 0.403 42.479 42.059 0.029 0.000 1.153 209 L HN 0.309 nan 8.230 nan 0.000 0.490 210 E N 2.770 122.974 120.200 0.008 0.000 2.421 210 E HA 0.188 4.537 4.350 -0.001 0.000 0.209 210 E C -0.147 176.450 176.600 -0.006 0.000 0.871 210 E CA 0.021 56.422 56.400 0.001 0.000 1.064 210 E CB 0.746 30.446 29.700 0.001 0.000 1.075 210 E HN 0.485 nan 8.360 nan 0.000 0.513 211 R N 1.116 121.611 120.500 -0.007 0.000 2.514 211 R HA 0.467 4.806 4.340 -0.001 0.000 0.296 211 R C -1.620 174.664 176.300 -0.027 0.000 1.012 211 R CA -0.742 55.345 56.100 -0.021 0.000 0.897 211 R CB 2.227 32.514 30.300 -0.023 0.000 1.184 211 R HN -0.078 nan 8.270 nan 0.000 0.440 212 L N 2.364 123.560 121.223 -0.046 0.000 2.409 212 L HA 0.451 4.790 4.340 -0.001 0.000 0.272 212 L C -1.488 175.308 176.870 -0.124 0.000 0.980 212 L CA -0.362 54.435 54.840 -0.072 0.000 0.826 212 L CB 1.915 43.948 42.059 -0.043 0.000 1.268 212 L HN 0.472 nan 8.230 nan 0.000 0.407 213 D N 4.886 125.169 120.400 -0.195 0.000 2.471 213 D HA 0.341 4.980 4.640 -0.001 0.000 0.245 213 D C 0.192 176.258 176.300 -0.391 0.000 1.116 213 D CA -0.252 53.610 54.000 -0.229 0.000 0.853 213 D CB 1.048 41.735 40.800 -0.188 0.000 1.123 213 D HN 0.602 nan 8.370 nan 0.000 0.540 214 I N 0.335 120.693 120.570 -0.353 0.000 3.877 214 I HA 0.353 4.522 4.170 -0.001 0.000 0.332 214 I C -0.022 175.960 176.117 -0.225 0.000 1.525 214 I CA -0.614 60.425 61.300 -0.436 0.000 1.146 214 I CB 0.403 38.206 38.000 -0.328 0.000 1.137 214 I HN -0.045 nan 8.210 nan 0.000 0.424 215 S N 1.217 116.808 115.700 -0.182 0.000 2.558 215 S HA 0.051 4.520 4.470 -0.001 0.000 0.288 215 S C 1.046 175.599 174.600 -0.079 0.000 1.318 215 S CA 0.468 58.602 58.200 -0.110 0.000 1.056 215 S CB 0.429 63.567 63.200 -0.103 0.000 0.853 215 S HN 0.652 nan 8.310 nan 0.000 0.505 216 S N 1.556 117.228 115.700 -0.045 0.000 3.749 216 S HA -0.135 4.334 4.470 -0.001 0.000 0.348 216 S C 0.252 174.854 174.600 0.003 0.000 1.045 216 S CA 0.433 58.621 58.200 -0.019 0.000 1.051 216 S CB -1.452 61.737 63.200 -0.018 0.000 0.898 216 S HN 0.746 nan 8.310 nan 0.000 0.472 217 N N 0.806 119.511 118.700 0.009 0.000 2.867 217 N HA 0.427 5.166 4.740 -0.001 0.000 0.326 217 N C 0.218 175.750 175.510 0.038 0.000 1.355 217 N CA -0.636 52.444 53.050 0.049 0.000 0.830 217 N CB 0.459 39.003 38.487 0.094 0.000 1.152 217 N HN 0.195 nan 8.380 nan 0.000 0.569 218 K N 0.830 121.260 120.400 0.049 0.000 3.237 218 K HA 0.352 4.672 4.320 -0.001 0.000 0.197 218 K C -1.066 175.555 176.600 0.036 0.000 1.133 218 K CA -0.148 56.160 56.287 0.034 0.000 0.944 218 K CB 0.935 33.453 32.500 0.030 0.000 0.952 218 K HN 0.125 nan 8.250 nan 0.000 0.515 219 V N 1.765 121.701 119.914 0.037 0.000 2.432 219 V HA 0.055 4.175 4.120 -0.001 0.000 0.275 219 V C 1.114 177.221 176.094 0.022 0.000 1.043 219 V CA 0.062 62.385 62.300 0.037 0.000 0.925 219 V CB 1.361 33.213 31.823 0.048 0.000 0.985 219 V HN 0.544 nan 8.190 nan 0.000 0.466 220 S N 2.092 117.804 115.700 0.020 0.000 2.641 220 S HA 0.110 4.579 4.470 -0.001 0.000 0.239 220 S C 0.547 175.154 174.600 0.013 0.000 1.081 220 S CA -0.055 58.153 58.200 0.012 0.000 0.904 220 S CB 0.160 63.366 63.200 0.010 0.000 0.803 220 S HN 0.667 nan 8.310 nan 0.000 0.510 221 D N 2.247 122.657 120.400 0.017 0.000 2.347 221 D HA 0.308 4.947 4.640 -0.001 0.000 0.235 221 D C 0.514 176.827 176.300 0.021 0.000 1.149 221 D CA -0.643 53.367 54.000 0.016 0.000 0.850 221 D CB 0.692 41.500 40.800 0.014 0.000 1.061 221 D HN 0.557 nan 8.370 nan 0.000 0.487 222 I N 0.999 121.579 120.570 0.017 0.000 3.877 222 I HA 0.160 4.329 4.170 -0.001 0.000 0.332 222 I C 1.350 177.477 176.117 0.016 0.000 1.525 222 I CA -0.419 60.893 61.300 0.019 0.000 1.146 222 I CB 0.144 38.152 38.000 0.013 0.000 1.137 222 I HN 0.170 nan 8.210 nan 0.000 0.424 223 S N 0.596 116.305 115.700 0.014 0.000 2.400 223 S HA -0.196 4.274 4.470 -0.001 0.000 0.232 223 S C 1.870 176.478 174.600 0.013 0.000 1.025 223 S CA 1.365 59.572 58.200 0.011 0.000 0.993 223 S CB -0.883 62.323 63.200 0.009 0.000 0.808 223 S HN 0.443 nan 8.310 nan 0.000 0.478 224 V N 2.003 121.928 119.914 0.018 0.000 2.568 224 V HA -0.078 4.041 4.120 -0.001 0.000 0.253 224 V C 2.196 178.303 176.094 0.022 0.000 1.072 224 V CA 1.624 63.936 62.300 0.020 0.000 1.084 224 V CB -0.676 31.163 31.823 0.027 0.000 0.676 224 V HN 0.624 nan 8.190 nan 0.000 0.469 225 L N 0.003 121.239 121.223 0.022 0.000 2.265 225 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 225 L C 2.722 179.600 176.870 0.013 0.000 1.117 225 L CA 1.268 56.120 54.840 0.019 0.000 0.782 225 L CB -0.995 41.074 42.059 0.016 0.000 0.914 225 L HN 0.435 nan 8.230 nan 0.000 0.441 226 A N 0.440 123.266 122.820 0.010 0.000 2.024 226 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 226 A C 2.311 179.900 177.584 0.008 0.000 1.164 226 A CA 1.607 53.648 52.037 0.008 0.000 0.643 226 A CB -0.325 18.679 19.000 0.006 0.000 0.806 226 A HN 0.366 nan 8.150 nan 0.000 0.451 227 K N -0.668 119.738 120.400 0.010 0.000 2.288 227 K HA 0.106 4.425 4.320 -0.001 0.000 0.201 227 K C -0.016 176.591 176.600 0.011 0.000 1.048 227 K CA 0.387 56.680 56.287 0.010 0.000 0.956 227 K CB -0.148 32.359 32.500 0.012 0.000 0.746 227 K HN 0.451 nan 8.250 nan 0.000 0.461 228 L N 2.441 123.672 121.223 0.013 0.000 2.536 228 L HA 0.085 4.424 4.340 -0.001 0.000 0.242 228 L C 1.223 178.098 176.870 0.008 0.000 1.280 228 L CA -0.287 54.561 54.840 0.013 0.000 1.221 228 L CB -0.176 41.894 42.059 0.018 0.000 1.449 228 L HN 0.165 nan 8.230 nan 0.000 0.405 229 T N -4.194 110.364 114.554 0.007 0.000 3.072 229 T HA -0.058 4.291 4.350 -0.001 0.000 0.266 229 T C 1.337 176.039 174.700 0.003 0.000 1.127 229 T CA 0.518 62.621 62.100 0.004 0.000 1.107 229 T CB -0.100 68.770 68.868 0.004 0.000 0.910 229 T HN 0.366 nan 8.240 nan 0.000 0.513 230 N N 0.856 119.558 118.700 0.004 0.000 2.398 230 N HA 0.216 4.955 4.740 -0.001 0.000 0.188 230 N C 0.242 175.753 175.510 0.002 0.000 1.122 230 N CA -0.013 53.039 53.050 0.003 0.000 0.866 230 N CB -0.082 38.408 38.487 0.005 0.000 0.970 230 N HN 0.467 nan 8.380 nan 0.000 0.462 231 L N 1.367 122.591 121.223 0.001 0.000 2.559 231 L HA -0.045 4.295 4.340 -0.001 0.000 0.274 231 L C 1.275 178.142 176.870 -0.006 0.000 1.205 231 L CA 0.443 55.281 54.840 -0.002 0.000 0.907 231 L CB 0.572 42.630 42.059 -0.003 0.000 1.153 231 L HN 0.072 nan 8.230 nan 0.000 0.490 232 E N 0.597 120.792 120.200 -0.009 0.000 2.330 232 E HA 0.096 4.445 4.350 -0.001 0.000 0.200 232 E C -0.271 176.319 176.600 -0.016 0.000 0.922 232 E CA 0.136 56.530 56.400 -0.011 0.000 0.935 232 E CB 0.708 30.402 29.700 -0.010 0.000 0.917 232 E HN 0.546 nan 8.360 nan 0.000 0.491 233 S N 0.893 116.581 115.700 -0.021 0.000 2.594 233 S HA 0.494 4.963 4.470 -0.001 0.000 0.296 233 S C -1.384 173.195 174.600 -0.035 0.000 1.124 233 S CA -0.703 57.479 58.200 -0.029 0.000 1.011 233 S CB 1.971 65.150 63.200 -0.034 0.000 1.016 233 S HN 0.087 nan 8.310 nan 0.000 0.485 234 L N 4.681 125.881 121.223 -0.038 0.000 2.406 234 L HA 0.626 4.965 4.340 -0.001 0.000 0.270 234 L C -1.695 175.142 176.870 -0.055 0.000 0.982 234 L CA -0.455 54.358 54.840 -0.046 0.000 0.843 234 L CB 0.843 42.882 42.059 -0.033 0.000 1.225 234 L HN 0.529 nan 8.230 nan 0.000 0.412 235 I N 5.297 125.822 120.570 -0.075 0.000 2.355 235 I HA 0.576 4.746 4.170 -0.001 0.000 0.288 235 I C 0.534 176.595 176.117 -0.094 0.000 0.999 235 I CA -0.359 60.892 61.300 -0.081 0.000 1.163 235 I CB 1.081 39.025 38.000 -0.094 0.000 1.316 235 I HN 0.782 nan 8.210 nan 0.000 0.454 236 A N 4.077 126.853 122.820 -0.074 0.000 2.663 236 A HA 0.359 4.678 4.320 -0.001 0.000 0.273 236 A C 0.500 178.052 177.584 -0.054 0.000 0.932 236 A CA -0.362 51.633 52.037 -0.070 0.000 1.055 236 A CB -0.097 18.872 19.000 -0.052 0.000 1.206 236 A HN 0.591 nan 8.150 nan 0.000 0.485 237 T N 1.373 115.892 114.554 -0.058 0.000 2.946 237 T HA 0.179 4.528 4.350 -0.001 0.000 0.311 237 T C 0.760 175.437 174.700 -0.038 0.000 1.063 237 T CA 1.166 63.238 62.100 -0.046 0.000 1.139 237 T CB 0.023 68.861 68.868 -0.050 0.000 0.994 237 T HN 0.784 nan 8.240 nan 0.000 0.547 238 N N 2.391 121.074 118.700 -0.028 0.000 2.708 238 N HA -0.176 4.563 4.740 -0.001 0.000 0.255 238 N C -0.490 175.011 175.510 -0.016 0.000 1.046 238 N CA 0.498 53.536 53.050 -0.020 0.000 0.715 238 N CB -1.067 37.408 38.487 -0.020 0.000 0.895 238 N HN 0.671 nan 8.380 nan 0.000 0.545 239 N N 0.049 118.740 118.700 -0.014 0.000 3.369 239 N HA 0.353 5.092 4.740 -0.001 0.000 0.362 239 N C -0.343 175.165 175.510 -0.003 0.000 1.523 239 N CA -0.402 52.645 53.050 -0.006 0.000 0.684 239 N CB 0.422 38.905 38.487 -0.007 0.000 1.796 239 N HN 0.314 nan 8.380 nan 0.000 0.641 240 Q N 0.644 120.444 119.800 0.001 0.000 2.182 240 Q HA 0.445 4.784 4.340 -0.001 0.000 0.305 240 Q C -0.699 175.301 176.000 0.000 0.000 0.880 240 Q CA -0.125 55.678 55.803 0.001 0.000 1.131 240 Q CB 0.370 29.110 28.738 0.004 0.000 1.237 240 Q HN 0.406 nan 8.270 nan 0.000 0.447 241 I N 1.145 121.714 120.570 -0.002 0.000 2.396 241 I HA -0.001 4.168 4.170 -0.001 0.000 0.289 241 I C 1.145 177.259 176.117 -0.004 0.000 1.056 241 I CA 0.240 61.539 61.300 -0.002 0.000 1.365 241 I CB 1.187 39.185 38.000 -0.004 0.000 1.407 241 I HN 0.230 nan 8.210 nan 0.000 0.509 242 S N 2.076 117.774 115.700 -0.002 0.000 2.554 242 S HA 0.106 4.575 4.470 -0.001 0.000 0.227 242 S C 0.213 174.811 174.600 -0.002 0.000 1.050 242 S CA -0.371 57.828 58.200 -0.003 0.000 0.927 242 S CB 0.176 63.374 63.200 -0.002 0.000 0.859 242 S HN 0.656 nan 8.310 nan 0.000 0.494 243 D N 1.869 122.269 120.400 -0.001 0.000 2.414 243 D HA 0.393 5.033 4.640 -0.001 0.000 0.232 243 D C 0.505 176.805 176.300 -0.001 0.000 1.070 243 D CA -0.779 53.221 54.000 -0.001 0.000 0.839 243 D CB 1.035 41.836 40.800 0.001 0.000 1.079 243 D HN 0.429 nan 8.370 nan 0.000 0.521 244 I N 0.997 121.566 120.570 -0.002 0.000 3.976 244 I HA 0.167 4.336 4.170 -0.001 0.000 0.337 244 I C 1.471 177.587 176.117 -0.002 0.000 1.359 244 I CA -0.198 61.100 61.300 -0.003 0.000 1.098 244 I CB -0.003 37.994 38.000 -0.005 0.000 1.027 244 I HN 0.273 nan 8.210 nan 0.000 0.394 245 T N -0.484 114.070 114.554 -0.001 0.000 2.803 245 T HA 0.002 4.352 4.350 -0.001 0.000 0.269 245 T C -0.325 174.375 174.700 0.001 0.000 1.052 245 T CA 1.162 63.261 62.100 -0.000 0.000 1.136 245 T CB -1.895 66.973 68.868 0.000 0.000 0.864 245 T HN 0.295 nan 8.240 nan 0.000 0.467 246 P HA 0.081 nan 4.420 nan 0.000 0.221 246 P C 1.351 178.652 177.300 0.002 0.000 1.145 246 P CA 0.704 63.806 63.100 0.003 0.000 0.795 246 P CB -0.303 31.400 31.700 0.005 0.000 0.775 247 L N -1.894 119.329 121.223 -0.000 0.000 2.551 247 L HA 0.037 4.376 4.340 -0.001 0.000 0.228 247 L C 2.448 179.317 176.870 -0.002 0.000 1.153 247 L CA 0.788 55.627 54.840 -0.002 0.000 0.851 247 L CB -1.285 40.771 42.059 -0.004 0.000 0.959 247 L HN 0.074 nan 8.230 nan 0.000 0.451 248 G N 2.116 110.916 108.800 -0.001 0.000 2.469 248 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 248 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 248 G C 1.444 176.343 174.900 -0.001 0.000 1.150 248 G CA 1.217 46.317 45.100 -0.001 0.000 0.763 248 G HN 0.617 nan 8.290 nan 0.000 0.561 249 I N -1.963 118.607 120.570 -0.000 0.000 3.793 249 I HA 0.344 4.513 4.170 -0.001 0.000 0.315 249 I C 0.378 176.495 176.117 -0.000 0.000 1.275 249 I CA -0.264 61.036 61.300 0.000 0.000 1.214 249 I CB 0.165 38.166 38.000 0.001 0.000 1.018 249 I HN -0.177 nan 8.210 nan 0.000 0.439 250 L N 3.093 124.315 121.223 -0.001 0.000 2.672 250 L HA 0.137 4.476 4.340 -0.001 0.000 0.238 250 L C 1.787 178.656 176.870 -0.003 0.000 1.392 250 L CA 0.579 55.418 54.840 -0.001 0.000 1.238 250 L CB -0.902 41.155 42.059 -0.002 0.000 1.548 250 L HN 0.376 nan 8.230 nan 0.000 0.423 251 T N -4.665 109.888 114.554 -0.002 0.000 3.072 251 T HA -0.054 4.295 4.350 -0.001 0.000 0.266 251 T C 1.448 176.146 174.700 -0.003 0.000 1.127 251 T CA 0.490 62.588 62.100 -0.003 0.000 1.107 251 T CB -0.146 68.721 68.868 -0.002 0.000 0.910 251 T HN 0.312 nan 8.240 nan 0.000 0.513 252 N N 1.115 119.813 118.700 -0.003 0.000 2.521 252 N HA 0.149 4.888 4.740 -0.001 0.000 0.188 252 N C 0.274 175.781 175.510 -0.006 0.000 1.146 252 N CA 0.084 53.132 53.050 -0.004 0.000 0.893 252 N CB -0.226 38.260 38.487 -0.003 0.000 0.975 252 N HN 0.480 nan 8.380 nan 0.000 0.451 253 L N 1.894 123.113 121.223 -0.007 0.000 2.534 253 L HA -0.059 4.281 4.340 -0.001 0.000 0.271 253 L C 1.037 177.901 176.870 -0.010 0.000 1.178 253 L CA 0.110 54.944 54.840 -0.010 0.000 0.907 253 L CB 0.449 42.502 42.059 -0.010 0.000 1.164 253 L HN 0.166 nan 8.230 nan 0.000 0.482 254 D N 0.412 120.805 120.400 -0.012 0.000 2.454 254 D HA 0.025 4.664 4.640 -0.001 0.000 0.214 254 D C 0.347 176.638 176.300 -0.016 0.000 1.088 254 D CA -0.187 53.805 54.000 -0.013 0.000 0.855 254 D CB 0.486 41.280 40.800 -0.012 0.000 1.025 254 D HN 0.435 nan 8.370 nan 0.000 0.502 255 E N 0.046 120.234 120.200 -0.020 0.000 2.224 255 E HA 0.507 4.857 4.350 -0.001 0.000 0.265 255 E C -1.968 174.616 176.600 -0.026 0.000 0.878 255 E CA -1.078 55.308 56.400 -0.024 0.000 0.759 255 E CB 1.692 31.375 29.700 -0.029 0.000 1.164 255 E HN 0.073 nan 8.360 nan 0.000 0.414 256 L N 3.277 124.484 121.223 -0.026 0.000 2.470 256 L HA 0.491 4.830 4.340 -0.001 0.000 0.268 256 L C -1.650 175.202 176.870 -0.029 0.000 0.964 256 L CA -0.236 54.588 54.840 -0.027 0.000 0.839 256 L CB 2.124 44.170 42.059 -0.021 0.000 1.276 256 L HN 0.380 nan 8.230 nan 0.000 0.403 257 S N 5.198 120.877 115.700 -0.035 0.000 2.659 257 S HA 0.664 5.134 4.470 -0.001 0.000 0.312 257 S C -0.264 174.315 174.600 -0.035 0.000 1.114 257 S CA -0.437 57.742 58.200 -0.036 0.000 1.063 257 S CB 0.622 63.796 63.200 -0.044 0.000 0.996 257 S HN 0.708 nan 8.310 nan 0.000 0.478 258 L N 4.592 125.798 121.223 -0.028 0.000 3.289 258 L HA 0.310 4.649 4.340 -0.001 0.000 0.291 258 L C 0.313 177.169 176.870 -0.023 0.000 1.279 258 L CA -0.536 54.289 54.840 -0.026 0.000 1.025 258 L CB 0.089 42.136 42.059 -0.020 0.000 1.413 258 L HN 0.640 nan 8.230 nan 0.000 0.593 259 N N 0.988 119.673 118.700 -0.025 0.000 2.458 259 N HA 0.052 4.791 4.740 -0.001 0.000 0.258 259 N C 0.864 176.361 175.510 -0.022 0.000 1.219 259 N CA 0.823 53.859 53.050 -0.023 0.000 0.902 259 N CB 1.028 39.501 38.487 -0.023 0.000 1.076 259 N HN 0.227 nan 8.380 nan 0.000 0.455 260 G N 0.803 109.592 108.800 -0.019 0.000 2.256 260 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.272 260 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.272 260 G C -0.339 174.551 174.900 -0.016 0.000 1.076 260 G CA -0.059 45.030 45.100 -0.017 0.000 0.882 260 G HN 0.796 nan 8.290 nan 0.000 0.497 261 N N -1.158 117.533 118.700 -0.015 0.000 3.223 261 N HA 0.427 5.166 4.740 -0.001 0.000 0.350 261 N C 0.164 175.668 175.510 -0.011 0.000 1.425 261 N CA -0.572 52.470 53.050 -0.012 0.000 0.668 261 N CB 0.508 38.987 38.487 -0.013 0.000 1.435 261 N HN 0.096 nan 8.380 nan 0.000 0.569 262 Q N 1.219 121.014 119.800 -0.009 0.000 2.217 262 Q HA 0.413 4.752 4.340 -0.001 0.000 0.340 262 Q C -0.719 175.277 176.000 -0.008 0.000 0.893 262 Q CA -0.133 55.665 55.803 -0.008 0.000 1.142 262 Q CB 0.448 29.182 28.738 -0.006 0.000 1.288 262 Q HN 0.410 nan 8.270 nan 0.000 0.426 263 L N 0.327 121.545 121.223 -0.009 0.000 2.349 263 L HA 0.307 4.646 4.340 -0.001 0.000 0.275 263 L C 1.228 178.093 176.870 -0.009 0.000 1.115 263 L CA 0.159 54.994 54.840 -0.009 0.000 0.820 263 L CB 1.064 43.117 42.059 -0.010 0.000 1.135 263 L HN 0.132 nan 8.230 nan 0.000 0.445 264 K N 0.567 120.962 120.400 -0.007 0.000 2.638 264 K HA 0.135 4.454 4.320 -0.001 0.000 0.207 264 K C -0.416 176.180 176.600 -0.006 0.000 1.429 264 K CA -0.342 55.941 56.287 -0.007 0.000 0.957 264 K CB 0.740 33.236 32.500 -0.006 0.000 1.733 264 K HN 0.526 nan 8.250 nan 0.000 0.474 265 D N 1.764 122.161 120.400 -0.005 0.000 2.277 265 D HA 0.190 4.829 4.640 -0.001 0.000 0.249 265 D C 0.256 176.553 176.300 -0.005 0.000 1.134 265 D CA -0.047 53.951 54.000 -0.005 0.000 0.863 265 D CB 1.425 42.223 40.800 -0.004 0.000 1.143 265 D HN 0.444 nan 8.370 nan 0.000 0.458 266 I N -1.375 119.192 120.570 -0.005 0.000 3.817 266 I HA 0.358 4.527 4.170 -0.001 0.000 0.325 266 I C 1.479 177.593 176.117 -0.005 0.000 1.550 266 I CA -0.595 60.702 61.300 -0.005 0.000 1.100 266 I CB 0.805 38.801 38.000 -0.007 0.000 1.216 266 I HN 0.293 nan 8.210 nan 0.000 0.481 267 G N 1.559 110.357 108.800 -0.004 0.000 2.475 267 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.220 267 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.220 267 G C 1.334 176.232 174.900 -0.003 0.000 1.125 267 G CA 1.844 46.942 45.100 -0.003 0.000 0.755 267 G HN 0.423 nan 8.290 nan 0.000 0.565 268 T N 1.348 115.900 114.554 -0.003 0.000 2.833 268 T HA -0.037 4.312 4.350 -0.001 0.000 0.269 268 T C 2.336 177.034 174.700 -0.004 0.000 1.054 268 T CA 0.732 62.830 62.100 -0.003 0.000 1.135 268 T CB -0.175 68.691 68.868 -0.003 0.000 0.869 268 T HN 0.220 nan 8.240 nan 0.000 0.466 269 L N 0.810 122.030 121.223 -0.005 0.000 2.261 269 L HA -0.105 4.234 4.340 -0.001 0.000 0.216 269 L C 2.954 179.821 176.870 -0.005 0.000 1.114 269 L CA 0.861 55.697 54.840 -0.005 0.000 0.777 269 L CB -0.737 41.318 42.059 -0.006 0.000 0.910 269 L HN 0.250 nan 8.230 nan 0.000 0.440 270 A N -0.518 122.300 122.820 -0.004 0.000 2.024 270 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 270 A C 2.454 180.036 177.584 -0.003 0.000 1.164 270 A CA 1.938 53.972 52.037 -0.003 0.000 0.643 270 A CB -0.404 18.594 19.000 -0.003 0.000 0.806 270 A HN 0.398 nan 8.150 nan 0.000 0.451 271 S N -0.545 115.153 115.700 -0.003 0.000 2.481 271 S HA 0.113 4.582 4.470 -0.001 0.000 0.231 271 S C 0.706 175.304 174.600 -0.003 0.000 0.996 271 S CA 0.344 58.543 58.200 -0.003 0.000 0.942 271 S CB -0.210 62.988 63.200 -0.002 0.000 0.768 271 S HN 0.497 nan 8.310 nan 0.000 0.520 272 L N 2.932 124.152 121.223 -0.004 0.000 2.598 272 L HA 0.196 4.535 4.340 -0.001 0.000 0.241 272 L C 1.526 178.393 176.870 -0.005 0.000 1.244 272 L CA -0.281 54.556 54.840 -0.005 0.000 1.198 272 L CB -0.393 41.662 42.059 -0.006 0.000 1.448 272 L HN 0.248 nan 8.230 nan 0.000 0.406 273 T N -4.161 110.391 114.554 -0.004 0.000 3.072 273 T HA -0.057 4.292 4.350 -0.001 0.000 0.266 273 T C 1.317 176.015 174.700 -0.004 0.000 1.127 273 T CA 0.539 62.637 62.100 -0.004 0.000 1.107 273 T CB -0.092 68.774 68.868 -0.003 0.000 0.910 273 T HN 0.351 nan 8.240 nan 0.000 0.513 274 N N 0.905 119.602 118.700 -0.005 0.000 2.398 274 N HA 0.219 4.958 4.740 -0.001 0.000 0.188 274 N C 0.162 175.668 175.510 -0.007 0.000 1.122 274 N CA -0.010 53.037 53.050 -0.005 0.000 0.866 274 N CB -0.095 38.389 38.487 -0.005 0.000 0.970 274 N HN 0.469 nan 8.380 nan 0.000 0.462 275 L N 1.305 122.523 121.223 -0.007 0.000 2.513 275 L HA -0.014 4.325 4.340 -0.001 0.000 0.272 275 L C 1.772 178.637 176.870 -0.008 0.000 1.187 275 L CA 0.257 55.092 54.840 -0.009 0.000 0.895 275 L CB 0.611 42.664 42.059 -0.009 0.000 1.147 275 L HN 0.160 nan 8.230 nan 0.000 0.483 276 T N -2.602 111.946 114.554 -0.010 0.000 2.978 276 T HA 0.163 4.512 4.350 -0.001 0.000 0.248 276 T C 0.168 174.862 174.700 -0.010 0.000 1.018 276 T CA -0.218 61.877 62.100 -0.009 0.000 1.026 276 T CB 0.220 69.082 68.868 -0.010 0.000 1.032 276 T HN 0.511 nan 8.240 nan 0.000 0.485 277 D N 0.963 121.355 120.400 -0.014 0.000 2.620 277 D HA 0.618 5.257 4.640 -0.001 0.000 0.252 277 D C -1.787 174.503 176.300 -0.017 0.000 1.207 277 D CA -0.410 53.581 54.000 -0.016 0.000 0.884 277 D CB 2.277 43.063 40.800 -0.023 0.000 1.262 277 D HN 0.148 nan 8.370 nan 0.000 0.552 278 L N 2.492 123.707 121.223 -0.014 0.000 2.406 278 L HA 0.532 4.872 4.340 -0.001 0.000 0.272 278 L C -1.729 175.133 176.870 -0.014 0.000 0.980 278 L CA -0.513 54.318 54.840 -0.014 0.000 0.831 278 L CB 1.857 43.909 42.059 -0.010 0.000 1.253 278 L HN 0.240 nan 8.230 nan 0.000 0.406 279 D N 5.034 125.423 120.400 -0.018 0.000 2.471 279 D HA 0.379 5.018 4.640 -0.001 0.000 0.245 279 D C -0.353 175.936 176.300 -0.018 0.000 1.116 279 D CA -0.088 53.901 54.000 -0.018 0.000 0.853 279 D CB 1.081 41.867 40.800 -0.024 0.000 1.123 279 D HN 0.638 nan 8.370 nan 0.000 0.540 280 L N 2.353 123.567 121.223 -0.015 0.000 3.168 280 L HA 0.461 4.800 4.340 -0.001 0.000 0.277 280 L C 0.903 177.763 176.870 -0.017 0.000 1.245 280 L CA -0.572 54.258 54.840 -0.016 0.000 1.035 280 L CB 0.581 42.632 42.059 -0.014 0.000 1.399 280 L HN 0.325 nan 8.230 nan 0.000 0.580 281 A N 0.139 122.949 122.820 -0.017 0.000 2.466 281 A HA 0.219 4.538 4.320 -0.001 0.000 0.238 281 A C 0.801 178.373 177.584 -0.019 0.000 1.074 281 A CA 0.092 52.118 52.037 -0.018 0.000 0.774 281 A CB -0.017 18.974 19.000 -0.014 0.000 1.015 281 A HN 0.611 nan 8.150 nan 0.000 0.498 282 N N 0.770 119.457 118.700 -0.021 0.000 2.756 282 N HA -0.134 4.605 4.740 -0.001 0.000 0.248 282 N C -0.441 175.057 175.510 -0.019 0.000 1.062 282 N CA 1.050 54.088 53.050 -0.021 0.000 0.696 282 N CB -1.102 37.374 38.487 -0.018 0.000 0.946 282 N HN 0.773 nan 8.380 nan 0.000 0.548 283 N N 0.184 118.872 118.700 -0.019 0.000 3.369 283 N HA 0.327 5.066 4.740 -0.001 0.000 0.362 283 N C 0.213 175.712 175.510 -0.017 0.000 1.523 283 N CA -0.308 52.732 53.050 -0.017 0.000 0.684 283 N CB 0.346 38.824 38.487 -0.015 0.000 1.796 283 N HN 0.070 nan 8.380 nan 0.000 0.641 284 Q N 0.508 120.300 119.800 -0.014 0.000 2.141 284 Q HA 0.470 4.809 4.340 -0.001 0.000 0.248 284 Q C -0.589 175.405 176.000 -0.011 0.000 0.834 284 Q CA -0.118 55.677 55.803 -0.013 0.000 1.096 284 Q CB 0.296 29.028 28.738 -0.011 0.000 1.189 284 Q HN 0.425 nan 8.270 nan 0.000 0.471 285 I N 0.946 121.509 120.570 -0.012 0.000 2.556 285 I HA -0.038 4.131 4.170 -0.001 0.000 0.284 285 I C 1.136 177.247 176.117 -0.010 0.000 1.114 285 I CA 0.342 61.636 61.300 -0.010 0.000 1.418 285 I CB 1.094 39.087 38.000 -0.011 0.000 1.394 285 I HN 0.269 nan 8.210 nan 0.000 0.552 286 S N 3.099 118.794 115.700 -0.007 0.000 2.741 286 S HA 0.081 4.550 4.470 -0.001 0.000 0.245 286 S C 0.654 175.250 174.600 -0.005 0.000 1.083 286 S CA -0.337 57.859 58.200 -0.006 0.000 0.873 286 S CB -0.017 63.181 63.200 -0.005 0.000 0.814 286 S HN 0.635 nan 8.310 nan 0.000 0.476 287 N N 1.852 120.549 118.700 -0.005 0.000 2.439 287 N HA 0.350 5.090 4.740 -0.001 0.000 0.243 287 N C 0.213 175.720 175.510 -0.005 0.000 1.088 287 N CA -0.305 52.742 53.050 -0.005 0.000 0.940 287 N CB 0.292 38.777 38.487 -0.004 0.000 1.180 287 N HN 0.391 nan 8.380 nan 0.000 0.505 288 L N 2.276 123.496 121.223 -0.005 0.000 2.592 288 L HA 0.206 4.545 4.340 -0.001 0.000 0.227 288 L C 2.045 178.912 176.870 -0.004 0.000 1.127 288 L CA 0.073 54.910 54.840 -0.005 0.000 0.884 288 L CB -0.218 41.837 42.059 -0.006 0.000 1.065 288 L HN 0.536 nan 8.230 nan 0.000 0.457 289 A N 1.467 124.284 122.820 -0.004 0.000 1.958 289 A HA -0.157 4.162 4.320 -0.001 0.000 0.221 289 A C -0.159 177.423 177.584 -0.003 0.000 1.178 289 A CA 1.701 53.736 52.037 -0.003 0.000 0.642 289 A CB -1.613 17.385 19.000 -0.003 0.000 0.816 289 A HN 0.281 nan 8.150 nan 0.000 0.453 290 P HA -0.063 nan 4.420 nan 0.000 0.228 290 P C 0.882 178.180 177.300 -0.004 0.000 1.151 290 P CA 0.718 63.816 63.100 -0.004 0.000 0.770 290 P CB -0.046 31.652 31.700 -0.004 0.000 0.786 291 L N -1.500 119.720 121.223 -0.004 0.000 2.567 291 L HA 0.042 4.381 4.340 -0.001 0.000 0.225 291 L C 2.235 179.103 176.870 -0.003 0.000 1.119 291 L CA 0.619 55.457 54.840 -0.004 0.000 0.871 291 L CB -0.787 41.269 42.059 -0.004 0.000 1.036 291 L HN 0.063 nan 8.230 nan 0.000 0.459 292 S N 0.338 116.036 115.700 -0.003 0.000 2.400 292 S HA -0.136 4.333 4.470 -0.001 0.000 0.232 292 S C 1.875 176.473 174.600 -0.003 0.000 1.025 292 S CA 1.245 59.443 58.200 -0.003 0.000 0.993 292 S CB -0.737 62.462 63.200 -0.003 0.000 0.808 292 S HN 0.429 nan 8.310 nan 0.000 0.478 293 G N 0.669 109.468 108.800 -0.003 0.000 2.985 293 G HA2 0.332 4.291 3.960 -0.001 0.000 0.209 293 G HA3 0.332 4.291 3.960 -0.001 0.000 0.209 293 G C 0.561 175.460 174.900 -0.002 0.000 1.165 293 G CA -0.353 44.746 45.100 -0.002 0.000 0.776 293 G HN 0.522 nan 8.290 nan 0.000 0.541 294 L N 2.859 124.081 121.223 -0.003 0.000 2.583 294 L HA 0.130 4.470 4.340 -0.001 0.000 0.239 294 L C 1.985 178.854 176.870 -0.002 0.000 1.347 294 L CA -0.075 54.763 54.840 -0.003 0.000 1.246 294 L CB -0.260 41.797 42.059 -0.004 0.000 1.496 294 L HN 0.195 nan 8.230 nan 0.000 0.413 295 T N -3.930 110.623 114.554 -0.002 0.000 3.072 295 T HA -0.083 4.267 4.350 -0.001 0.000 0.266 295 T C 1.458 176.157 174.700 -0.001 0.000 1.127 295 T CA 0.517 62.617 62.100 -0.001 0.000 1.107 295 T CB -0.051 68.817 68.868 -0.001 0.000 0.910 295 T HN 0.386 nan 8.240 nan 0.000 0.513 296 K N 0.574 120.972 120.400 -0.002 0.000 2.487 296 K HA 0.269 4.588 4.320 -0.001 0.000 0.192 296 K C 0.315 176.913 176.600 -0.002 0.000 1.027 296 K CA -0.115 56.170 56.287 -0.002 0.000 1.054 296 K CB -0.138 32.360 32.500 -0.003 0.000 0.824 296 K HN 0.413 nan 8.250 nan 0.000 0.510 297 L N 2.021 123.243 121.223 -0.002 0.000 2.513 297 L HA -0.058 4.281 4.340 -0.001 0.000 0.272 297 L C 1.592 178.463 176.870 0.002 0.000 1.187 297 L CA 0.273 55.112 54.840 -0.001 0.000 0.895 297 L CB 0.570 42.628 42.059 -0.000 0.000 1.147 297 L HN 0.258 nan 8.230 nan 0.000 0.483 298 T N -1.348 113.207 114.554 0.001 0.000 2.978 298 T HA 0.193 4.542 4.350 -0.001 0.000 0.248 298 T C 0.500 175.206 174.700 0.009 0.000 1.018 298 T CA -0.224 61.879 62.100 0.005 0.000 1.026 298 T CB 0.393 69.261 68.868 0.001 0.000 1.032 298 T HN 0.526 nan 8.240 nan 0.000 0.485 299 E N 0.844 121.046 120.200 0.004 0.000 2.241 299 E HA 0.585 4.935 4.350 -0.001 0.000 0.263 299 E C -2.059 174.545 176.600 0.007 0.000 0.882 299 E CA -0.825 55.579 56.400 0.008 0.000 0.769 299 E CB 2.575 32.270 29.700 -0.007 0.000 1.185 299 E HN 0.172 nan 8.360 nan 0.000 0.415 300 L N 2.881 124.116 121.223 0.019 0.000 2.441 300 L HA 0.372 4.711 4.340 -0.001 0.000 0.270 300 L C -1.429 175.453 176.870 0.019 0.000 0.973 300 L CA -0.377 54.471 54.840 0.013 0.000 0.842 300 L CB 1.225 43.290 42.059 0.010 0.000 1.239 300 L HN 0.312 nan 8.230 nan 0.000 0.406 301 K N 6.376 126.781 120.400 0.009 0.000 2.293 301 K HA 0.518 4.837 4.320 -0.001 0.000 0.267 301 K C -0.316 176.282 176.600 -0.004 0.000 1.010 301 K CA -0.341 55.952 56.287 0.009 0.000 0.875 301 K CB 1.496 33.998 32.500 0.004 0.000 1.106 301 K HN 0.672 nan 8.250 nan 0.000 0.450 302 L N 1.981 123.198 121.223 -0.009 0.000 3.333 302 L HA 0.203 4.542 4.340 -0.001 0.000 0.299 302 L C 0.825 177.675 176.870 -0.033 0.000 1.256 302 L CA -0.454 54.375 54.840 -0.019 0.000 1.037 302 L CB 1.213 43.262 42.059 -0.016 0.000 1.423 302 L HN 0.673 nan 8.230 nan 0.000 0.605 303 G N -0.189 108.586 108.800 -0.042 0.000 2.594 303 G HA2 0.365 4.324 3.960 -0.001 0.000 0.243 303 G HA3 0.365 4.324 3.960 -0.001 0.000 0.243 303 G C 0.799 175.667 174.900 -0.053 0.000 1.229 303 G CA 0.421 45.477 45.100 -0.072 0.000 0.843 303 G HN 0.434 nan 8.290 nan 0.000 0.578 304 A N 0.583 123.366 122.820 -0.063 0.000 2.578 304 A HA -0.153 4.166 4.320 -0.001 0.000 0.298 304 A C 0.631 178.193 177.584 -0.036 0.000 1.472 304 A CA 0.956 52.965 52.037 -0.048 0.000 0.734 304 A CB -1.997 16.980 19.000 -0.039 0.000 1.091 304 A HN 0.748 nan 8.150 nan 0.000 0.426 305 N N -0.912 117.768 118.700 -0.034 0.000 3.369 305 N HA 0.538 5.277 4.740 -0.001 0.000 0.362 305 N C 0.270 175.768 175.510 -0.020 0.000 1.523 305 N CA -0.456 52.579 53.050 -0.025 0.000 0.684 305 N CB 0.639 39.113 38.487 -0.022 0.000 1.796 305 N HN 0.474 nan 8.380 nan 0.000 0.641 306 Q N 0.676 120.468 119.800 -0.015 0.000 2.217 306 Q HA 0.457 4.796 4.340 -0.001 0.000 0.340 306 Q C -0.736 175.260 176.000 -0.007 0.000 0.893 306 Q CA -0.096 55.701 55.803 -0.010 0.000 1.142 306 Q CB 0.511 29.244 28.738 -0.009 0.000 1.288 306 Q HN 0.411 nan 8.270 nan 0.000 0.426 307 I N 0.918 121.483 120.570 -0.009 0.000 2.395 307 I HA 0.047 4.216 4.170 -0.001 0.000 0.289 307 I C 1.113 177.228 176.117 -0.003 0.000 1.023 307 I CA 0.176 61.472 61.300 -0.007 0.000 1.350 307 I CB 1.382 39.376 38.000 -0.011 0.000 1.409 307 I HN 0.221 nan 8.210 nan 0.000 0.507 308 S N 3.183 118.883 115.700 -0.001 0.000 2.589 308 S HA 0.173 4.642 4.470 -0.001 0.000 0.235 308 S C 0.379 174.979 174.600 0.000 0.000 1.051 308 S CA -0.406 57.795 58.200 0.002 0.000 0.978 308 S CB 0.223 63.425 63.200 0.004 0.000 0.929 308 S HN 0.680 nan 8.310 nan 0.000 0.523 309 N N 1.523 120.222 118.700 -0.002 0.000 2.410 309 N HA 0.378 5.117 4.740 -0.001 0.000 0.287 309 N C -0.192 175.315 175.510 -0.005 0.000 1.044 309 N CA -0.391 52.657 53.050 -0.003 0.000 0.881 309 N CB 1.951 40.437 38.487 -0.002 0.000 1.405 309 N HN 0.459 nan 8.380 nan 0.000 0.490 310 I N 0.562 121.128 120.570 -0.006 0.000 3.974 310 I HA 0.258 4.428 4.170 -0.001 0.000 0.334 310 I C 0.949 177.062 176.117 -0.006 0.000 1.437 310 I CA -0.306 60.990 61.300 -0.007 0.000 1.113 310 I CB 0.377 38.372 38.000 -0.008 0.000 1.063 310 I HN 0.121 nan 8.210 nan 0.000 0.400 311 S N 2.567 118.264 115.700 -0.006 0.000 2.402 311 S HA -0.057 4.413 4.470 -0.001 0.000 0.233 311 S C -0.492 174.105 174.600 -0.005 0.000 1.030 311 S CA 1.669 59.866 58.200 -0.005 0.000 1.003 311 S CB -1.160 62.037 63.200 -0.005 0.000 0.813 311 S HN 0.464 nan 8.310 nan 0.000 0.477 312 P HA 0.027 nan 4.420 nan 0.000 0.228 312 P C 0.802 178.100 177.300 -0.004 0.000 1.151 312 P CA 0.767 63.864 63.100 -0.004 0.000 0.770 312 P CB -0.057 31.641 31.700 -0.004 0.000 0.786 313 L N -2.028 119.193 121.223 -0.004 0.000 2.529 313 L HA 0.144 4.484 4.340 -0.001 0.000 0.223 313 L C 2.214 179.082 176.870 -0.003 0.000 1.113 313 L CA 0.369 55.207 54.840 -0.003 0.000 0.861 313 L CB -0.769 41.289 42.059 -0.003 0.000 1.012 313 L HN -0.048 nan 8.230 nan 0.000 0.461 314 A N 0.835 123.653 122.820 -0.004 0.000 1.986 314 A HA -0.151 4.169 4.320 -0.001 0.000 0.220 314 A C 2.150 179.732 177.584 -0.003 0.000 1.171 314 A CA 1.880 53.915 52.037 -0.005 0.000 0.640 314 A CB -0.779 18.218 19.000 -0.005 0.000 0.811 314 A HN 0.436 nan 8.150 nan 0.000 0.451 315 G N -1.201 107.598 108.800 -0.003 0.000 3.141 315 G HA2 0.371 4.330 3.960 -0.001 0.000 0.218 315 G HA3 0.371 4.330 3.960 -0.001 0.000 0.218 315 G C 0.492 175.391 174.900 -0.001 0.000 1.170 315 G CA -0.293 44.806 45.100 -0.002 0.000 0.769 315 G HN 0.382 nan 8.290 nan 0.000 0.546 316 L N 2.773 123.996 121.223 -0.000 0.000 2.480 316 L HA 0.147 4.486 4.340 -0.001 0.000 0.243 316 L C 1.896 178.768 176.870 0.003 0.000 1.315 316 L CA -0.157 54.683 54.840 0.001 0.000 1.231 316 L CB -0.126 41.934 42.059 0.002 0.000 1.444 316 L HN 0.192 nan 8.230 nan 0.000 0.409 317 T N -3.670 110.885 114.554 0.002 0.000 3.085 317 T HA -0.033 4.316 4.350 -0.001 0.000 0.263 317 T C 1.642 176.344 174.700 0.005 0.000 1.127 317 T CA 0.726 62.828 62.100 0.003 0.000 1.103 317 T CB 0.258 69.127 68.868 0.001 0.000 0.921 317 T HN 0.476 nan 8.240 nan 0.000 0.510 318 A N 0.887 123.710 122.820 0.005 0.000 2.218 318 A HA 0.463 4.783 4.320 -0.001 0.000 0.209 318 A C 0.980 178.569 177.584 0.009 0.000 1.168 318 A CA -0.315 51.725 52.037 0.005 0.000 0.804 318 A CB -0.546 18.456 19.000 0.003 0.000 0.834 318 A HN 0.567 nan 8.150 nan 0.000 0.482 319 L N 0.972 122.201 121.223 0.011 0.000 2.540 319 L HA 0.015 4.354 4.340 -0.001 0.000 0.276 319 L C 1.812 178.698 176.870 0.026 0.000 1.212 319 L CA 0.514 55.365 54.840 0.018 0.000 0.893 319 L CB 0.652 42.723 42.059 0.020 0.000 1.138 319 L HN 0.522 nan 8.230 nan 0.000 0.491 320 T N -1.737 112.837 114.554 0.034 0.000 2.978 320 T HA 0.152 4.501 4.350 -0.001 0.000 0.248 320 T C 0.547 175.298 174.700 0.086 0.000 1.018 320 T CA -0.205 61.923 62.100 0.047 0.000 1.026 320 T CB 0.200 69.087 68.868 0.033 0.000 1.032 320 T HN 0.472 nan 8.240 nan 0.000 0.485 321 N N 0.984 119.736 118.700 0.087 0.000 2.399 321 N HA 0.669 5.408 4.740 -0.001 0.000 0.284 321 N C -2.071 173.513 175.510 0.123 0.000 1.025 321 N CA -0.574 52.568 53.050 0.154 0.000 0.885 321 N CB 2.220 40.768 38.487 0.102 0.000 1.339 321 N HN 0.205 nan 8.380 nan 0.000 0.487 322 L N 1.596 122.903 121.223 0.140 0.000 2.406 322 L HA 0.573 4.912 4.340 -0.001 0.000 0.272 322 L C -1.225 175.690 176.870 0.076 0.000 0.980 322 L CA -0.562 54.326 54.840 0.080 0.000 0.831 322 L CB 1.670 43.755 42.059 0.043 0.000 1.253 322 L HN 0.412 nan 8.230 nan 0.000 0.406 323 E N 5.315 125.550 120.200 0.058 0.000 2.145 323 E HA 0.553 4.902 4.350 -0.001 0.000 0.270 323 E C -0.205 176.380 176.600 -0.024 0.000 0.906 323 E CA -0.024 56.391 56.400 0.025 0.000 0.761 323 E CB 1.858 31.588 29.700 0.051 0.000 1.116 323 E HN 0.644 nan 8.360 nan 0.000 0.408 324 L N 2.285 123.470 121.223 -0.063 0.000 3.333 324 L HA 0.174 4.513 4.340 -0.001 0.000 0.299 324 L C 0.072 176.860 176.870 -0.137 0.000 1.256 324 L CA -0.434 54.362 54.840 -0.073 0.000 1.037 324 L CB 0.063 42.099 42.059 -0.039 0.000 1.423 324 L HN 0.501 nan 8.230 nan 0.000 0.605 325 N N 1.167 119.699 118.700 -0.281 0.000 2.374 325 N HA -0.111 4.628 4.740 -0.001 0.000 0.241 325 N C -0.194 175.157 175.510 -0.265 0.000 1.262 325 N CA 0.212 52.949 53.050 -0.521 0.000 0.880 325 N CB 0.429 38.114 38.487 -1.338 0.000 1.105 325 N HN 0.168 nan 8.380 nan 0.000 0.438 326 E N -1.147 118.969 120.200 -0.139 0.000 2.230 326 E HA -0.214 4.136 4.350 -0.001 0.000 0.206 326 E C -0.637 175.946 176.600 -0.029 0.000 1.309 326 E CA 0.443 56.830 56.400 -0.023 0.000 0.697 326 E CB -1.003 28.660 29.700 -0.062 0.000 1.146 326 E HN 0.623 nan 8.360 nan 0.000 0.363 327 N N -0.113 118.583 118.700 -0.007 0.000 3.427 327 N HA 0.274 5.014 4.740 -0.001 0.000 0.364 327 N C 0.026 175.548 175.510 0.019 0.000 1.538 327 N CA -0.518 52.529 53.050 -0.005 0.000 0.662 327 N CB 0.705 39.181 38.487 -0.018 0.000 1.881 327 N HN 0.018 nan 8.380 nan 0.000 0.634 328 Q N 0.947 120.756 119.800 0.015 0.000 2.155 328 Q HA 0.402 4.741 4.340 -0.001 0.000 0.273 328 Q C -0.453 175.560 176.000 0.021 0.000 0.857 328 Q CA -0.138 55.679 55.803 0.022 0.000 1.116 328 Q CB 0.516 29.262 28.738 0.014 0.000 1.209 328 Q HN 0.416 nan 8.270 nan 0.000 0.460 329 L N 0.703 121.938 121.223 0.021 0.000 2.380 329 L HA 0.133 4.472 4.340 -0.001 0.000 0.273 329 L C 1.229 178.112 176.870 0.021 0.000 1.138 329 L CA 0.379 55.228 54.840 0.015 0.000 0.832 329 L CB 0.727 42.791 42.059 0.008 0.000 1.124 329 L HN 0.162 nan 8.230 nan 0.000 0.454 330 E N 0.431 120.639 120.200 0.014 0.000 2.629 330 E HA 0.005 4.355 4.350 -0.001 0.000 0.197 330 E C -0.411 176.190 176.600 0.002 0.000 0.955 330 E CA -0.225 56.183 56.400 0.013 0.000 1.191 330 E CB 0.487 30.196 29.700 0.015 0.000 1.175 330 E HN 0.553 nan 8.360 nan 0.000 0.501 331 D N 1.606 122.005 120.400 -0.002 0.000 2.365 331 D HA 0.078 4.718 4.640 -0.001 0.000 0.237 331 D C 0.378 176.670 176.300 -0.013 0.000 1.190 331 D CA -0.154 53.840 54.000 -0.009 0.000 0.867 331 D CB 0.589 41.385 40.800 -0.006 0.000 1.050 331 D HN 0.214 nan 8.370 nan 0.000 0.491 332 I N 0.855 121.411 120.570 -0.022 0.000 3.941 332 I HA 0.126 4.295 4.170 -0.001 0.000 0.335 332 I C 1.468 177.567 176.117 -0.029 0.000 1.402 332 I CA -0.385 60.899 61.300 -0.027 0.000 1.112 332 I CB 0.049 38.027 38.000 -0.037 0.000 1.043 332 I HN 0.180 nan 8.210 nan 0.000 0.395 333 S N 1.887 117.571 115.700 -0.026 0.000 2.392 333 S HA -0.103 4.366 4.470 -0.001 0.000 0.232 333 S C -0.394 174.193 174.600 -0.020 0.000 1.041 333 S CA 1.335 59.520 58.200 -0.024 0.000 1.026 333 S CB -2.251 60.937 63.200 -0.020 0.000 0.845 333 S HN 0.402 nan 8.310 nan 0.000 0.465 334 P HA 0.065 nan 4.420 nan 0.000 0.221 334 P C 1.265 178.557 177.300 -0.014 0.000 1.145 334 P CA 0.735 63.827 63.100 -0.013 0.000 0.795 334 P CB -0.192 31.501 31.700 -0.010 0.000 0.775 335 I N -0.344 120.215 120.570 -0.018 0.000 2.567 335 I HA -0.221 3.948 4.170 -0.001 0.000 0.257 335 I C 2.095 178.201 176.117 -0.019 0.000 1.184 335 I CA 1.422 62.711 61.300 -0.018 0.000 1.451 335 I CB -0.455 37.530 38.000 -0.025 0.000 1.089 335 I HN 0.084 nan 8.210 nan 0.000 0.441 336 S N 0.250 115.937 115.700 -0.022 0.000 2.440 336 S HA -0.195 4.274 4.470 -0.001 0.000 0.238 336 S C 1.452 176.043 174.600 -0.014 0.000 1.010 336 S CA 1.552 59.739 58.200 -0.021 0.000 0.972 336 S CB -0.815 62.371 63.200 -0.023 0.000 0.774 336 S HN 0.521 nan 8.310 nan 0.000 0.501 337 N N 1.123 119.817 118.700 -0.011 0.000 2.459 337 N HA 0.185 4.924 4.740 -0.001 0.000 0.181 337 N C 0.063 175.571 175.510 -0.004 0.000 1.046 337 N CA 0.540 53.586 53.050 -0.007 0.000 0.904 337 N CB -0.278 38.205 38.487 -0.007 0.000 0.964 337 N HN 0.423 nan 8.380 nan 0.000 0.444 338 L N 1.249 122.470 121.223 -0.004 0.000 2.536 338 L HA 0.225 4.564 4.340 -0.001 0.000 0.242 338 L C 0.795 177.667 176.870 0.003 0.000 1.280 338 L CA -0.305 54.536 54.840 0.001 0.000 1.221 338 L CB 0.190 42.251 42.059 0.003 0.000 1.449 338 L HN -0.008 nan 8.230 nan 0.000 0.405 339 K N 0.390 120.791 120.400 0.002 0.000 2.280 339 K HA -0.075 4.245 4.320 -0.001 0.000 0.202 339 K C 0.989 177.593 176.600 0.008 0.000 1.047 339 K CA 0.825 57.113 56.287 0.003 0.000 0.942 339 K CB 0.014 32.514 32.500 0.001 0.000 0.739 339 K HN 0.472 nan 8.250 nan 0.000 0.457 340 N N 0.667 119.373 118.700 0.011 0.000 2.336 340 N HA 0.047 4.786 4.740 -0.001 0.000 0.189 340 N C 0.260 175.785 175.510 0.025 0.000 1.113 340 N CA 0.050 53.109 53.050 0.016 0.000 0.858 340 N CB 0.270 38.765 38.487 0.013 0.000 0.970 340 N HN 0.151 nan 8.380 nan 0.000 0.471 341 L N 1.146 122.386 121.223 0.027 0.000 2.455 341 L HA 0.030 4.369 4.340 -0.001 0.000 0.272 341 L C 1.633 178.534 176.870 0.052 0.000 1.174 341 L CA 0.255 55.121 54.840 0.043 0.000 0.869 341 L CB 0.705 42.785 42.059 0.035 0.000 1.130 341 L HN 0.139 nan 8.230 nan 0.000 0.474 342 T N -0.680 113.923 114.554 0.082 0.000 2.959 342 T HA 0.090 4.439 4.350 -0.001 0.000 0.254 342 T C -0.187 174.614 174.700 0.167 0.000 1.003 342 T CA -0.057 62.101 62.100 0.097 0.000 0.950 342 T CB 0.137 69.054 68.868 0.082 0.000 1.090 342 T HN 0.352 nan 8.240 nan 0.000 0.503 343 Y N 0.763 121.086 120.300 0.037 0.000 2.361 343 Y HA 0.666 5.215 4.550 -0.001 0.000 0.328 343 Y C -2.024 173.934 175.900 0.096 0.000 1.044 343 Y CA -1.911 56.232 58.100 0.071 0.000 1.085 343 Y CB 1.766 40.249 38.460 0.039 0.000 1.194 343 Y HN 0.191 nan 8.280 nan 0.000 0.438 344 L N 6.189 127.240 121.223 -0.286 0.000 2.464 344 L HA 0.696 5.035 4.340 -0.001 0.000 0.266 344 L C -1.100 175.708 176.870 -0.104 0.000 0.965 344 L CA -0.209 54.554 54.840 -0.128 0.000 0.833 344 L CB 2.250 44.295 42.059 -0.023 0.000 1.296 344 L HN 0.719 nan 8.230 nan 0.000 0.405 345 T N 2.443 116.973 114.554 -0.040 0.000 2.824 345 T HA 0.686 5.036 4.350 -0.001 0.000 0.282 345 T C 0.098 174.820 174.700 0.037 0.000 0.993 345 T CA -0.505 61.650 62.100 0.093 0.000 0.967 345 T CB 1.172 70.078 68.868 0.062 0.000 0.960 345 T HN 0.580 nan 8.240 nan 0.000 0.441 346 L N 1.552 122.853 121.223 0.130 0.000 3.520 346 L HA 0.293 4.632 4.340 -0.001 0.000 0.323 346 L C -0.188 176.744 176.870 0.103 0.000 1.246 346 L CA -1.034 53.848 54.840 0.069 0.000 1.085 346 L CB 0.073 42.202 42.059 0.117 0.000 1.477 346 L HN 0.804 nan 8.230 nan 0.000 0.624 347 Y N -1.866 118.535 120.300 0.168 0.000 2.550 347 Y HA 0.355 4.904 4.550 -0.002 0.000 0.343 347 Y C 0.254 176.258 175.900 0.173 0.000 1.245 347 Y CA -1.126 57.041 58.100 0.111 0.000 1.462 347 Y CB -0.182 38.322 38.460 0.075 0.000 1.340 347 Y HN 0.051 nan 8.280 nan 0.000 0.604 348 F N 1.194 121.283 119.950 0.231 0.000 2.905 348 F HA -0.275 4.251 4.527 -0.001 0.000 0.311 348 F C -0.255 175.569 175.800 0.041 0.000 1.005 348 F CA 0.614 58.686 58.000 0.119 0.000 1.029 348 F CB -1.529 37.547 39.000 0.127 0.000 1.151 348 F HN 0.768 nan 8.300 nan 0.000 0.805 349 N N -0.070 118.736 118.700 0.176 0.000 3.379 349 N HA 0.425 5.165 4.740 -0.001 0.000 0.350 349 N C -0.008 175.567 175.510 0.109 0.000 1.553 349 N CA -0.672 52.449 53.050 0.118 0.000 0.712 349 N CB 0.792 39.323 38.487 0.074 0.000 1.880 349 N HN 0.057 nan 8.380 nan 0.000 0.648 350 N N 0.660 119.408 118.700 0.080 0.000 2.553 350 N HA 0.367 5.106 4.740 -0.001 0.000 0.298 350 N C -0.863 174.682 175.510 0.059 0.000 1.596 350 N CA -0.019 53.075 53.050 0.073 0.000 0.910 350 N CB 0.782 39.307 38.487 0.064 0.000 1.336 350 N HN 0.422 nan 8.380 nan 0.000 0.497 351 I N 1.087 121.695 120.570 0.063 0.000 2.416 351 I HA 0.022 4.191 4.170 -0.001 0.000 0.288 351 I C 1.542 177.685 176.117 0.044 0.000 1.051 351 I CA 0.088 61.412 61.300 0.041 0.000 1.375 351 I CB 1.024 39.041 38.000 0.028 0.000 1.407 351 I HN 0.109 nan 8.210 nan 0.000 0.516 352 S N 2.255 117.968 115.700 0.022 0.000 2.514 352 S HA 0.069 4.538 4.470 -0.001 0.000 0.223 352 S C 0.441 175.034 174.600 -0.011 0.000 1.046 352 S CA -0.232 57.980 58.200 0.020 0.000 0.914 352 S CB 0.168 63.382 63.200 0.023 0.000 0.807 352 S HN 0.652 nan 8.310 nan 0.000 0.497 353 D N 0.916 121.298 120.400 -0.031 0.000 2.454 353 D HA 0.393 5.032 4.640 -0.001 0.000 0.225 353 D C 0.163 176.403 176.300 -0.100 0.000 1.081 353 D CA -0.612 53.354 54.000 -0.057 0.000 0.864 353 D CB 0.981 41.756 40.800 -0.042 0.000 1.040 353 D HN 0.108 nan 8.370 nan 0.000 0.517 354 I N 2.862 123.337 120.570 -0.159 0.000 3.419 354 I HA -0.095 4.074 4.170 -0.001 0.000 0.286 354 I C 2.080 178.078 176.117 -0.198 0.000 1.268 354 I CA 0.647 61.788 61.300 -0.266 0.000 1.414 354 I CB -0.211 37.479 38.000 -0.515 0.000 1.074 354 I HN 0.446 nan 8.210 nan 0.000 0.457 355 S N 1.162 116.784 115.700 -0.131 0.000 2.420 355 S HA -0.088 4.381 4.470 -0.001 0.000 0.237 355 S C -0.331 174.219 174.600 -0.083 0.000 1.023 355 S CA 1.029 59.171 58.200 -0.097 0.000 0.991 355 S CB -2.020 61.139 63.200 -0.069 0.000 0.792 355 S HN 0.302 nan 8.310 nan 0.000 0.488 356 P HA -0.021 nan 4.420 nan 0.000 0.223 356 P C 1.656 178.918 177.300 -0.064 0.000 1.144 356 P CA 1.084 64.147 63.100 -0.062 0.000 0.783 356 P CB -0.344 31.323 31.700 -0.056 0.000 0.771 357 V N -2.966 116.894 119.914 -0.089 0.000 3.306 357 V HA -0.095 4.024 4.120 -0.001 0.000 0.264 357 V C 2.144 178.202 176.094 -0.061 0.000 1.149 357 V CA 1.520 63.773 62.300 -0.079 0.000 1.143 357 V CB -1.500 30.256 31.823 -0.111 0.000 0.767 357 V HN 0.161 nan 8.190 nan 0.000 0.476 358 S N 2.571 118.234 115.700 -0.061 0.000 2.383 358 S HA -0.219 4.250 4.470 -0.001 0.000 0.229 358 S C 1.976 176.557 174.600 -0.031 0.000 1.030 358 S CA 1.904 60.076 58.200 -0.047 0.000 1.002 358 S CB -1.103 62.070 63.200 -0.046 0.000 0.829 358 S HN 1.111 nan 8.310 nan 0.000 0.467 359 S N 1.014 116.697 115.700 -0.027 0.000 2.593 359 S HA 0.300 4.769 4.470 -0.001 0.000 0.217 359 S C 0.741 175.333 174.600 -0.013 0.000 0.966 359 S CA -0.398 57.791 58.200 -0.018 0.000 0.914 359 S CB -0.692 62.498 63.200 -0.017 0.000 0.776 359 S HN 0.544 nan 8.310 nan 0.000 0.523 360 L N 3.475 124.689 121.223 -0.015 0.000 2.480 360 L HA 0.214 4.553 4.340 -0.001 0.000 0.243 360 L C 1.720 178.589 176.870 -0.001 0.000 1.315 360 L CA -0.118 54.718 54.840 -0.007 0.000 1.231 360 L CB -0.730 41.324 42.059 -0.009 0.000 1.444 360 L HN 0.428 nan 8.230 nan 0.000 0.409 361 T N -3.514 111.041 114.554 0.000 0.000 3.007 361 T HA -0.127 4.222 4.350 -0.001 0.000 0.270 361 T C 1.476 176.183 174.700 0.011 0.000 1.107 361 T CA 0.727 62.829 62.100 0.004 0.000 1.118 361 T CB -0.070 68.800 68.868 0.002 0.000 0.889 361 T HN 0.416 nan 8.240 nan 0.000 0.506 362 K N 0.568 120.977 120.400 0.015 0.000 2.459 362 K HA 0.265 4.585 4.320 -0.001 0.000 0.193 362 K C 0.387 177.006 176.600 0.032 0.000 1.030 362 K CA -0.137 56.164 56.287 0.022 0.000 1.026 362 K CB -0.198 32.316 32.500 0.023 0.000 0.809 362 K HN 0.399 nan 8.250 nan 0.000 0.504 363 L N 2.114 123.355 121.223 0.029 0.000 2.601 363 L HA -0.136 4.203 4.340 -0.001 0.000 0.277 363 L C 1.338 178.235 176.870 0.045 0.000 1.219 363 L CA 0.447 55.309 54.840 0.036 0.000 0.915 363 L CB 0.347 42.419 42.059 0.021 0.000 1.160 363 L HN 0.230 nan 8.230 nan 0.000 0.494 364 Q N 3.035 122.873 119.800 0.064 0.000 2.394 364 Q HA 0.214 4.553 4.340 -0.001 0.000 0.218 364 Q C -0.135 175.911 176.000 0.077 0.000 0.907 364 Q CA 0.491 56.339 55.803 0.074 0.000 0.919 364 Q CB 0.658 29.442 28.738 0.076 0.000 1.051 364 Q HN 0.537 nan 8.270 nan 0.000 0.538 365 R N 0.616 121.154 120.500 0.062 0.000 2.538 365 R HA 0.492 4.831 4.340 -0.001 0.000 0.292 365 R C -1.841 174.383 176.300 -0.127 0.000 1.008 365 R CA -0.647 55.442 56.100 -0.018 0.000 0.896 365 R CB 2.006 32.371 30.300 0.108 0.000 1.187 365 R HN -0.066 nan 8.270 nan 0.000 0.440 366 L N 3.651 124.723 121.223 -0.253 0.000 2.406 366 L HA 0.567 4.906 4.340 -0.001 0.000 0.272 366 L C -1.782 174.950 176.870 -0.230 0.000 0.980 366 L CA -0.423 54.356 54.840 -0.102 0.000 0.831 366 L CB 1.333 43.423 42.059 0.051 0.000 1.253 366 L HN 0.487 nan 8.230 nan 0.000 0.406 367 F N 6.696 126.729 119.950 0.138 0.000 2.445 367 F HA 0.467 4.994 4.527 -0.001 0.000 0.348 367 F C -0.041 175.956 175.800 0.328 0.000 1.125 367 F CA -0.420 57.686 58.000 0.176 0.000 0.983 367 F CB 1.160 40.278 39.000 0.198 0.000 1.198 367 F HN 0.472 nan 8.300 nan 0.000 0.436 368 F N 0.251 120.330 119.950 0.215 0.000 2.802 368 F HA 0.372 4.898 4.527 -0.002 0.000 0.346 368 F C 0.173 176.041 175.800 0.114 0.000 1.229 368 F CA -1.028 57.070 58.000 0.162 0.000 1.142 368 F CB -0.777 38.272 39.000 0.081 0.000 1.146 368 F HN 0.190 nan 8.300 nan 0.000 0.510 369 S N 0.900 116.572 115.700 -0.047 0.000 2.569 369 S HA 0.096 4.566 4.470 -0.001 0.000 0.274 369 S C 0.591 175.114 174.600 -0.129 0.000 1.353 369 S CA 0.156 58.281 58.200 -0.127 0.000 1.023 369 S CB 0.088 63.206 63.200 -0.136 0.000 0.876 369 S HN 0.570 nan 8.310 nan 0.000 0.540 370 N N 1.714 120.323 118.700 -0.151 0.000 2.746 370 N HA -0.142 4.597 4.740 -0.001 0.000 0.250 370 N C -0.829 174.653 175.510 -0.047 0.000 1.055 370 N CA 0.676 53.577 53.050 -0.250 0.000 0.699 370 N CB -1.573 36.313 38.487 -1.001 0.000 0.919 370 N HN 0.730 nan 8.380 nan 0.000 0.548 371 N N 0.238 118.983 118.700 0.076 0.000 3.379 371 N HA 0.339 5.078 4.740 -0.001 0.000 0.350 371 N C 0.176 175.767 175.510 0.136 0.000 1.553 371 N CA -0.457 52.672 53.050 0.132 0.000 0.712 371 N CB 0.835 39.445 38.487 0.205 0.000 1.880 371 N HN 0.044 nan 8.380 nan 0.000 0.648 372 K N 0.699 121.178 120.400 0.131 0.000 2.758 372 K HA 0.332 4.651 4.320 -0.001 0.000 0.208 372 K C -0.695 175.970 176.600 0.109 0.000 1.091 372 K CA -0.114 56.243 56.287 0.117 0.000 1.059 372 K CB 0.883 33.438 32.500 0.092 0.000 0.801 372 K HN 0.139 nan 8.250 nan 0.000 0.470 373 V N 2.079 122.083 119.914 0.150 0.000 2.508 373 V HA -0.035 4.084 4.120 -0.001 0.000 0.281 373 V C 1.285 177.436 176.094 0.095 0.000 1.041 373 V CA 0.348 62.724 62.300 0.127 0.000 1.016 373 V CB 1.220 33.176 31.823 0.221 0.000 0.984 373 V HN 0.437 nan 8.190 nan 0.000 0.478 374 S N 2.297 118.006 115.700 0.015 0.000 2.591 374 S HA 0.098 4.568 4.470 -0.001 0.000 0.235 374 S C 0.565 175.124 174.600 -0.070 0.000 1.074 374 S CA -0.063 58.096 58.200 -0.068 0.000 0.925 374 S CB 0.118 63.232 63.200 -0.142 0.000 0.818 374 S HN 0.683 nan 8.310 nan 0.000 0.535 375 D N 2.511 122.879 120.400 -0.052 0.000 2.313 375 D HA 0.335 4.974 4.640 -0.001 0.000 0.239 375 D C 0.581 176.861 176.300 -0.033 0.000 1.142 375 D CA -0.370 53.598 54.000 -0.054 0.000 0.847 375 D CB 1.694 42.461 40.800 -0.055 0.000 1.082 375 D HN 0.223 nan 8.370 nan 0.000 0.480 376 V N 1.449 121.350 119.914 -0.022 0.000 3.177 376 V HA 0.176 4.296 4.120 -0.001 0.000 0.342 376 V C 1.498 177.575 176.094 -0.028 0.000 1.379 376 V CA -0.155 62.141 62.300 -0.006 0.000 1.191 376 V CB -0.103 31.753 31.823 0.055 0.000 1.167 376 V HN 0.335 nan 8.190 nan 0.000 0.471 377 S N 2.524 118.201 115.700 -0.038 0.000 2.374 377 S HA -0.227 4.242 4.470 -0.001 0.000 0.227 377 S C 2.202 176.780 174.600 -0.036 0.000 1.037 377 S CA 2.178 60.356 58.200 -0.037 0.000 1.024 377 S CB -0.437 62.741 63.200 -0.036 0.000 0.861 377 S HN 1.025 nan 8.310 nan 0.000 0.456 378 S N 1.815 117.488 115.700 -0.045 0.000 2.469 378 S HA 0.045 4.515 4.470 -0.001 0.000 0.238 378 S C 1.596 176.169 174.600 -0.045 0.000 0.998 378 S CA 0.645 58.817 58.200 -0.048 0.000 0.957 378 S CB -0.664 62.498 63.200 -0.064 0.000 0.764 378 S HN 0.487 nan 8.310 nan 0.000 0.514 379 L N 0.755 121.954 121.223 -0.039 0.000 2.478 379 L HA 0.164 4.503 4.340 -0.001 0.000 0.223 379 L C 2.978 179.839 176.870 -0.015 0.000 1.140 379 L CA 0.658 55.484 54.840 -0.023 0.000 0.842 379 L CB -0.902 41.161 42.059 0.007 0.000 0.953 379 L HN 0.444 nan 8.230 nan 0.000 0.452 380 A N 0.446 123.254 122.820 -0.020 0.000 2.024 380 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 380 A C 2.069 179.645 177.584 -0.015 0.000 1.164 380 A CA 1.845 53.871 52.037 -0.018 0.000 0.643 380 A CB -0.766 18.221 19.000 -0.021 0.000 0.806 380 A HN 0.541 nan 8.150 nan 0.000 0.451 381 N N -0.376 118.315 118.700 -0.016 0.000 2.512 381 N HA 0.017 4.756 4.740 -0.001 0.000 0.183 381 N C 0.007 175.512 175.510 -0.008 0.000 1.073 381 N CA 0.074 53.116 53.050 -0.013 0.000 0.911 381 N CB -0.069 38.408 38.487 -0.017 0.000 0.964 381 N HN 0.454 nan 8.380 nan 0.000 0.447 382 L N 1.976 123.195 121.223 -0.007 0.000 2.480 382 L HA 0.118 4.458 4.340 -0.001 0.000 0.243 382 L C 1.637 178.510 176.870 0.006 0.000 1.315 382 L CA -0.277 54.563 54.840 0.001 0.000 1.231 382 L CB 0.103 42.163 42.059 0.003 0.000 1.444 382 L HN 0.121 nan 8.230 nan 0.000 0.409 383 T N -3.520 111.037 114.554 0.005 0.000 3.007 383 T HA -0.132 4.217 4.350 -0.001 0.000 0.270 383 T C 1.211 175.920 174.700 0.015 0.000 1.107 383 T CA 1.125 63.229 62.100 0.007 0.000 1.118 383 T CB -0.267 68.603 68.868 0.004 0.000 0.889 383 T HN 0.509 nan 8.240 nan 0.000 0.506 384 N N 0.152 118.863 118.700 0.020 0.000 2.398 384 N HA 0.268 5.008 4.740 -0.001 0.000 0.188 384 N C -0.095 175.441 175.510 0.043 0.000 1.122 384 N CA -0.360 52.708 53.050 0.030 0.000 0.866 384 N CB -0.071 38.434 38.487 0.030 0.000 0.970 384 N HN 0.314 nan 8.380 nan 0.000 0.462 385 I N 1.380 121.973 120.570 0.038 0.000 2.668 385 I HA -0.099 4.070 4.170 -0.001 0.000 0.285 385 I C 0.653 176.813 176.117 0.071 0.000 1.168 385 I CA 0.396 61.725 61.300 0.049 0.000 1.424 385 I CB 0.508 38.528 38.000 0.032 0.000 1.377 385 I HN 0.099 nan 8.210 nan 0.000 0.560 386 N N 5.358 124.136 118.700 0.129 0.000 2.545 386 N HA 0.081 4.820 4.740 -0.001 0.000 0.190 386 N C -0.945 174.731 175.510 0.277 0.000 1.043 386 N CA 0.513 53.686 53.050 0.206 0.000 0.879 386 N CB 0.080 38.737 38.487 0.284 0.000 1.210 386 N HN 0.445 nan 8.380 nan 0.000 0.437 387 W N 1.343 122.593 121.300 -0.083 0.000 2.417 387 W HA 0.553 5.212 4.660 -0.002 0.000 0.315 387 W C -0.714 175.627 176.519 -0.297 0.000 1.045 387 W CA -0.719 56.519 57.345 -0.178 0.000 1.221 387 W CB 0.590 29.929 29.460 -0.202 0.000 1.309 387 W HN -0.188 nan 8.180 nan 0.000 0.453 388 L N 3.889 125.055 121.223 -0.095 0.000 2.377 388 L HA 0.521 4.861 4.340 -0.001 0.000 0.270 388 L C -0.366 176.364 176.870 -0.232 0.000 0.991 388 L CA -0.292 54.457 54.840 -0.152 0.000 0.851 388 L CB 1.448 43.464 42.059 -0.073 0.000 1.218 388 L HN 0.238 nan 8.230 nan 0.000 0.420 389 S N 3.845 119.342 115.700 -0.337 0.000 2.448 389 S HA 0.801 5.270 4.470 -0.001 0.000 0.320 389 S C 0.309 174.638 174.600 -0.452 0.000 1.071 389 S CA 0.212 58.247 58.200 -0.275 0.000 1.113 389 S CB 0.949 64.085 63.200 -0.106 0.000 0.972 389 S HN 0.840 nan 8.310 nan 0.000 0.465 390 A N 3.887 126.424 122.820 -0.472 0.000 2.568 390 A HA 0.599 4.918 4.320 -0.001 0.000 0.287 390 A C 0.783 178.178 177.584 -0.315 0.000 0.967 390 A CA -0.114 51.491 52.037 -0.719 0.000 1.004 390 A CB -0.265 18.216 19.000 -0.865 0.000 1.233 390 A HN 0.910 nan 8.150 nan 0.000 0.513 391 G N -0.995 107.705 108.800 -0.167 0.000 2.636 391 G HA2 0.385 4.344 3.960 -0.001 0.000 0.246 391 G HA3 0.385 4.344 3.960 -0.001 0.000 0.246 391 G C 0.404 175.308 174.900 0.006 0.000 1.216 391 G CA 0.167 45.227 45.100 -0.068 0.000 0.854 391 G HN 0.612 nan 8.290 nan 0.000 0.572 392 H N -0.363 118.679 119.070 -0.045 0.000 2.756 392 H HA -0.130 4.425 4.556 -0.001 0.000 0.315 392 H C 0.519 175.848 175.328 0.000 0.000 1.210 392 H CA 1.100 57.126 56.048 -0.037 0.000 1.150 392 H CB -1.228 28.475 29.762 -0.099 0.000 1.463 392 H HN 0.547 nan 8.280 nan 0.000 0.427 393 N N 0.142 118.909 118.700 0.112 0.000 3.357 393 N HA 0.234 4.973 4.740 -0.001 0.000 0.359 393 N C 0.667 176.302 175.510 0.209 0.000 1.477 393 N CA -0.483 52.659 53.050 0.153 0.000 0.645 393 N CB 0.713 39.293 38.487 0.155 0.000 1.703 393 N HN 0.269 nan 8.380 nan 0.000 0.597 394 Q N 0.642 120.568 119.800 0.209 0.000 2.129 394 Q HA 0.426 4.766 4.340 -0.001 0.000 0.274 394 Q C -0.686 175.330 176.000 0.027 0.000 0.854 394 Q CA -0.101 55.852 55.803 0.250 0.000 1.123 394 Q CB 0.681 29.522 28.738 0.171 0.000 1.226 394 Q HN 0.420 nan 8.270 nan 0.000 0.454 395 I N 1.593 122.255 120.570 0.154 0.000 2.452 395 I HA -0.024 4.145 4.170 -0.001 0.000 0.287 395 I C 1.280 177.484 176.117 0.145 0.000 1.079 395 I CA 0.268 61.622 61.300 0.089 0.000 1.387 395 I CB 1.154 39.255 38.000 0.169 0.000 1.404 395 I HN 0.201 nan 8.210 nan 0.000 0.522 396 S N 2.412 117.989 115.700 -0.204 0.000 2.505 396 S HA 0.116 4.585 4.470 -0.001 0.000 0.216 396 S C 0.251 174.921 174.600 0.117 0.000 1.018 396 S CA -0.259 57.860 58.200 -0.134 0.000 0.911 396 S CB 0.263 63.102 63.200 -0.602 0.000 0.818 396 S HN 0.663 nan 8.310 nan 0.000 0.497 397 D N 0.719 121.123 120.400 0.007 0.000 2.473 397 D HA 0.370 5.009 4.640 -0.001 0.000 0.253 397 D C 0.403 176.630 176.300 -0.121 0.000 1.233 397 D CA -0.488 53.490 54.000 -0.037 0.000 0.908 397 D CB 1.151 41.919 40.800 -0.054 0.000 1.170 397 D HN 0.148 nan 8.370 nan 0.000 0.558 398 L N 2.508 123.611 121.223 -0.199 0.000 2.558 398 L HA 0.011 4.350 4.340 -0.001 0.000 0.225 398 L C 2.320 179.105 176.870 -0.142 0.000 1.128 398 L CA 0.720 55.401 54.840 -0.265 0.000 0.868 398 L CB -0.419 41.386 42.059 -0.422 0.000 1.006 398 L HN 0.486 nan 8.230 nan 0.000 0.454 399 T N -1.699 112.800 114.554 -0.091 0.000 2.737 399 T HA -0.141 4.208 4.350 -0.001 0.000 0.269 399 T C -0.430 174.238 174.700 -0.053 0.000 1.040 399 T CA 0.978 63.043 62.100 -0.058 0.000 1.142 399 T CB -1.682 67.164 68.868 -0.037 0.000 0.861 399 T HN 0.171 nan 8.240 nan 0.000 0.456 400 P HA 0.081 nan 4.420 nan 0.000 0.225 400 P C 1.121 178.395 177.300 -0.042 0.000 1.148 400 P CA 0.474 63.548 63.100 -0.043 0.000 0.779 400 P CB -0.197 31.479 31.700 -0.041 0.000 0.780 401 L N -1.450 119.739 121.223 -0.057 0.000 2.558 401 L HA 0.158 4.498 4.340 -0.001 0.000 0.225 401 L C 2.222 179.063 176.870 -0.048 0.000 1.128 401 L CA 0.508 55.316 54.840 -0.054 0.000 0.868 401 L CB -1.754 40.257 42.059 -0.080 0.000 1.006 401 L HN -0.104 nan 8.230 nan 0.000 0.454 402 A N 0.104 122.896 122.820 -0.046 0.000 1.948 402 A HA -0.218 4.101 4.320 -0.001 0.000 0.220 402 A C 1.897 179.465 177.584 -0.027 0.000 1.177 402 A CA 1.911 53.925 52.037 -0.037 0.000 0.636 402 A CB -0.446 18.535 19.000 -0.032 0.000 0.815 402 A HN 0.512 nan 8.150 nan 0.000 0.449 403 N N -0.235 118.451 118.700 -0.023 0.000 2.322 403 N HA 0.126 4.865 4.740 -0.001 0.000 0.194 403 N C -0.044 175.459 175.510 -0.013 0.000 1.126 403 N CA 0.167 53.207 53.050 -0.016 0.000 0.845 403 N CB 0.120 38.599 38.487 -0.013 0.000 0.976 403 N HN 0.459 nan 8.380 nan 0.000 0.475 404 L N 1.760 122.973 121.223 -0.017 0.000 2.533 404 L HA 0.115 4.455 4.340 -0.001 0.000 0.239 404 L C 1.330 178.192 176.870 -0.012 0.000 1.376 404 L CA -0.065 54.768 54.840 -0.012 0.000 1.240 404 L CB -0.723 41.328 42.059 -0.013 0.000 1.487 404 L HN 0.041 nan 8.230 nan 0.000 0.419 405 T N -4.092 110.457 114.554 -0.008 0.000 3.160 405 T HA 0.020 4.369 4.350 -0.001 0.000 0.257 405 T C 1.610 176.309 174.700 -0.001 0.000 1.147 405 T CA 0.031 62.126 62.100 -0.008 0.000 1.064 405 T CB -0.050 68.814 68.868 -0.007 0.000 0.949 405 T HN 0.289 nan 8.240 nan 0.000 0.526 406 R N 0.505 121.009 120.500 0.006 0.000 2.300 406 R HA 0.401 4.741 4.340 -0.001 0.000 0.199 406 R C 0.679 176.994 176.300 0.024 0.000 0.920 406 R CA -0.302 55.809 56.100 0.019 0.000 1.046 406 R CB -0.403 29.914 30.300 0.029 0.000 0.984 406 R HN 0.469 nan 8.270 nan 0.000 0.493 407 I N 2.200 122.774 120.570 0.006 0.000 2.741 407 I HA -0.134 4.035 4.170 -0.001 0.000 0.288 407 I C 1.540 177.637 176.117 -0.033 0.000 1.192 407 I CA 0.867 62.161 61.300 -0.009 0.000 1.426 407 I CB 0.874 38.853 38.000 -0.036 0.000 1.367 407 I HN 0.151 nan 8.210 nan 0.000 0.563 408 T N 1.903 116.423 114.554 -0.056 0.000 2.959 408 T HA 0.213 4.562 4.350 -0.001 0.000 0.254 408 T C 0.479 175.025 174.700 -0.257 0.000 1.003 408 T CA -0.204 61.830 62.100 -0.109 0.000 0.950 408 T CB 0.567 69.408 68.868 -0.046 0.000 1.090 408 T HN 0.471 nan 8.240 nan 0.000 0.503 409 Q N 0.738 120.314 119.800 -0.374 0.000 2.305 409 Q HA 0.708 5.047 4.340 -0.001 0.000 0.271 409 Q C -1.934 173.869 176.000 -0.328 0.000 1.046 409 Q CA -0.603 54.878 55.803 -0.535 0.000 0.798 409 Q CB 2.823 30.802 28.738 -1.264 0.000 1.286 409 Q HN 0.354 nan 8.270 nan 0.000 0.435 410 L N 0.457 121.535 121.223 -0.243 0.000 2.455 410 L HA 0.858 5.197 4.340 -0.001 0.000 0.264 410 L C -1.006 175.782 176.870 -0.136 0.000 0.968 410 L CA -0.105 54.635 54.840 -0.166 0.000 0.827 410 L CB 2.467 44.450 42.059 -0.127 0.000 1.317 410 L HN 0.608 nan 8.230 nan 0.000 0.407 411 G N 4.464 113.186 108.800 -0.129 0.000 2.737 411 G HA2 0.578 4.537 3.960 -0.001 0.000 0.290 411 G HA3 0.578 4.537 3.960 -0.001 0.000 0.290 411 G C -0.716 174.127 174.900 -0.094 0.000 1.482 411 G CA -0.255 44.788 45.100 -0.096 0.000 1.017 411 G HN 0.595 nan 8.290 nan 0.000 0.529 412 L N 1.699 122.906 121.223 -0.027 0.000 3.333 412 L HA 0.242 4.582 4.340 -0.001 0.000 0.299 412 L C 0.277 177.224 176.870 0.128 0.000 1.256 412 L CA -0.663 54.210 54.840 0.054 0.000 1.037 412 L CB 0.250 42.354 42.059 0.075 0.000 1.423 412 L HN 0.307 nan 8.230 nan 0.000 0.605 413 N N 1.318 120.017 118.700 -0.002 0.000 2.374 413 N HA -0.024 4.716 4.740 -0.001 0.000 0.241 413 N C 0.064 175.421 175.510 -0.254 0.000 1.262 413 N CA 0.625 53.614 53.050 -0.103 0.000 0.880 413 N CB 0.249 38.663 38.487 -0.121 0.000 1.105 413 N HN 0.115 nan 8.380 nan 0.000 0.438 414 D N 0.085 120.282 120.400 -0.338 0.000 2.689 414 D HA -0.170 4.469 4.640 -0.001 0.000 0.237 414 D C -0.394 175.697 176.300 -0.349 0.000 1.148 414 D CA 0.718 54.436 54.000 -0.470 0.000 0.656 414 D CB -0.632 39.684 40.800 -0.806 0.000 1.050 414 D HN 0.443 nan 8.370 nan 0.000 0.426 415 Q N -0.356 119.344 119.800 -0.166 0.000 2.417 415 Q HA 0.624 4.963 4.340 -0.001 0.000 0.241 415 Q C 0.366 176.379 176.000 0.021 0.000 1.008 415 Q CA 0.061 55.913 55.803 0.083 0.000 0.901 415 Q CB 1.469 30.455 28.738 0.413 0.000 1.259 415 Q HN 0.431 nan 8.270 nan 0.000 0.489 416 A N 1.641 124.564 122.820 0.173 0.000 2.491 416 A HA 0.635 4.954 4.320 -0.001 0.000 0.293 416 A C -1.839 175.896 177.584 0.252 0.000 1.047 416 A CA -0.824 51.237 52.037 0.041 0.000 0.735 416 A CB 0.754 19.734 19.000 -0.034 0.000 1.281 416 A HN 0.727 nan 8.150 nan 0.000 0.398 417 W N 0.539 121.836 121.300 -0.005 0.000 3.062 417 W HA 0.801 5.460 4.660 -0.001 0.000 0.336 417 W C -1.082 175.433 176.519 -0.007 0.000 1.224 417 W CA -0.832 56.520 57.345 0.012 0.000 1.159 417 W CB 1.005 30.488 29.460 0.040 0.000 1.454 417 W HN 0.494 nan 8.180 nan 0.000 0.569 418 T N 3.391 118.085 114.554 0.232 0.000 2.786 418 T HA 0.271 4.621 4.350 -0.001 0.000 0.283 418 T C -0.262 174.578 174.700 0.233 0.000 0.992 418 T CA -0.630 61.540 62.100 0.117 0.000 0.954 418 T CB 0.434 69.345 68.868 0.071 0.000 0.934 418 T HN 0.356 nan 8.240 nan 0.000 0.440 419 N N 1.770 120.596 118.700 0.210 0.000 2.371 419 N HA 0.393 5.132 4.740 -0.001 0.000 0.243 419 N C 0.334 175.927 175.510 0.139 0.000 1.287 419 N CA -0.348 52.837 53.050 0.224 0.000 0.911 419 N CB 0.381 38.995 38.487 0.211 0.000 1.142 419 N HN 0.805 nan 8.380 nan 0.000 0.451 420 A N 1.516 124.410 122.820 0.124 0.000 2.531 420 A HA 0.250 4.569 4.320 -0.001 0.000 0.236 420 A C -1.972 175.660 177.584 0.080 0.000 1.062 420 A CA -0.646 51.445 52.037 0.089 0.000 0.760 420 A CB -0.643 18.404 19.000 0.078 0.000 0.995 420 A HN 0.444 nan 8.150 nan 0.000 0.501 421 P HA 0.279 nan 4.420 nan 0.000 0.269 421 P C -0.297 177.041 177.300 0.064 0.000 1.215 421 P CA -0.013 63.123 63.100 0.059 0.000 0.780 421 P CB 0.677 32.412 31.700 0.059 0.000 0.898 422 V N -0.447 119.505 119.914 0.062 0.000 3.046 422 V HA 0.579 4.699 4.120 -0.001 0.000 0.316 422 V C -0.311 175.829 176.094 0.077 0.000 1.104 422 V CA -1.113 61.226 62.300 0.066 0.000 1.006 422 V CB 1.970 33.833 31.823 0.067 0.000 1.058 422 V HN 0.252 nan 8.190 nan 0.000 0.440 423 N N 1.644 120.390 118.700 0.076 0.000 2.513 423 N HA 0.189 4.928 4.740 -0.001 0.000 0.268 423 N C -0.670 174.906 175.510 0.110 0.000 1.180 423 N CA 0.055 53.167 53.050 0.103 0.000 0.948 423 N CB 0.521 39.051 38.487 0.073 0.000 1.083 423 N HN 0.942 nan 8.380 nan 0.000 0.455 424 Y N 2.319 122.675 120.300 0.093 0.000 2.620 424 Y HA 0.058 4.607 4.550 -0.001 0.000 0.330 424 Y C 0.047 175.998 175.900 0.084 0.000 1.186 424 Y CA 0.646 58.797 58.100 0.085 0.000 1.467 424 Y CB 0.415 39.003 38.460 0.214 0.000 1.262 424 Y HN 0.331 nan 8.280 nan 0.000 0.550 425 K N 3.814 123.686 120.400 -0.880 0.000 2.509 425 K HA 0.598 4.917 4.320 -0.001 0.000 0.266 425 K C 0.359 176.437 176.600 -0.870 0.000 0.987 425 K CA -0.410 55.459 56.287 -0.697 0.000 0.868 425 K CB 1.962 34.305 32.500 -0.262 0.000 1.421 425 K HN 0.616 nan 8.250 nan 0.000 0.444 426 A N 1.185 123.743 122.820 -0.437 0.000 1.908 426 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 426 A C 0.555 178.076 177.584 -0.104 0.000 1.181 426 A CA 1.814 53.736 52.037 -0.191 0.000 0.627 426 A CB -0.762 18.208 19.000 -0.050 0.000 0.818 426 A HN 0.745 nan 8.150 nan 0.000 0.445 427 N N -0.959 117.686 118.700 -0.091 0.000 2.407 427 N HA 0.479 5.218 4.740 -0.001 0.000 0.277 427 N C -1.419 174.087 175.510 -0.007 0.000 0.995 427 N CA -0.601 52.441 53.050 -0.012 0.000 0.903 427 N CB 1.601 40.091 38.487 0.004 0.000 1.218 427 N HN -0.081 nan 8.380 nan 0.000 0.487 428 V N 0.959 120.927 119.914 0.091 0.000 2.495 428 V HA 0.668 4.787 4.120 -0.001 0.000 0.298 428 V C -0.373 175.886 176.094 0.275 0.000 1.031 428 V CA -0.653 61.735 62.300 0.148 0.000 0.871 428 V CB 1.349 33.250 31.823 0.130 0.000 0.988 428 V HN 0.851 nan 8.190 nan 0.000 0.432 429 S N 5.473 121.287 115.700 0.191 0.000 2.538 429 S HA 0.848 5.317 4.470 -0.001 0.000 0.288 429 S C -0.896 173.810 174.600 0.176 0.000 1.108 429 S CA -0.584 57.712 58.200 0.160 0.000 0.971 429 S CB 1.215 64.449 63.200 0.056 0.000 1.041 429 S HN 0.748 nan 8.310 nan 0.000 0.483 430 I N 1.488 122.176 120.570 0.196 0.000 2.828 430 I HA 0.777 4.946 4.170 -0.001 0.000 0.302 430 I C -2.917 173.268 176.117 0.114 0.000 1.101 430 I CA -2.897 58.517 61.300 0.189 0.000 1.031 430 I CB 2.626 40.809 38.000 0.304 0.000 1.231 430 I HN 0.360 nan 8.210 nan 0.000 0.427 431 P HA 0.156 nan 4.420 nan 0.000 0.284 431 P C -1.066 176.296 177.300 0.103 0.000 1.253 431 P CA -0.289 62.864 63.100 0.087 0.000 0.800 431 P CB 0.819 32.568 31.700 0.082 0.000 0.961 432 N N 1.536 120.281 118.700 0.076 0.000 2.475 432 N HA 0.039 4.778 4.740 -0.001 0.000 0.267 432 N C 0.745 176.323 175.510 0.114 0.000 1.169 432 N CA 0.306 53.379 53.050 0.038 0.000 0.947 432 N CB 0.100 38.599 38.487 0.020 0.000 1.061 432 N HN 0.365 nan 8.380 nan 0.000 0.466 433 T N -0.618 114.053 114.554 0.195 0.000 3.044 433 T HA 0.170 4.519 4.350 -0.001 0.000 0.260 433 T C 0.293 175.067 174.700 0.123 0.000 1.019 433 T CA -0.342 61.860 62.100 0.169 0.000 0.921 433 T CB -0.279 68.719 68.868 0.217 0.000 1.053 433 T HN 0.102 nan 8.240 nan 0.000 0.533 434 V N 2.598 122.556 119.914 0.073 0.000 2.405 434 V HA 0.329 4.448 4.120 -0.001 0.000 0.264 434 V C 0.070 176.151 176.094 -0.023 0.000 1.048 434 V CA -0.367 61.880 62.300 -0.087 0.000 0.966 434 V CB 0.173 31.682 31.823 -0.524 0.000 1.015 434 V HN 0.361 nan 8.190 nan 0.000 0.477 435 K N 3.882 124.323 120.400 0.068 0.000 2.274 435 K HA 0.377 4.696 4.320 -0.001 0.000 0.262 435 K C -0.111 176.558 176.600 0.115 0.000 0.961 435 K CA -0.776 55.554 56.287 0.071 0.000 0.833 435 K CB 1.456 33.975 32.500 0.031 0.000 1.102 435 K HN 0.550 nan 8.250 nan 0.000 0.436 436 N N 1.004 119.765 118.700 0.100 0.000 2.326 436 N HA -0.047 4.692 4.740 -0.001 0.000 0.239 436 N C 1.113 176.615 175.510 -0.013 0.000 1.301 436 N CA -0.096 52.999 53.050 0.077 0.000 0.909 436 N CB 1.012 39.552 38.487 0.087 0.000 1.156 436 N HN 0.322 nan 8.380 nan 0.000 0.462 437 V N 0.992 120.875 119.914 -0.051 0.000 2.453 437 V HA -0.236 3.883 4.120 -0.001 0.000 0.252 437 V C 1.894 177.968 176.094 -0.033 0.000 1.068 437 V CA 2.826 65.086 62.300 -0.066 0.000 1.070 437 V CB -1.011 30.767 31.823 -0.074 0.000 0.664 437 V HN 0.950 nan 8.190 nan 0.000 0.461 438 T N -3.086 111.460 114.554 -0.013 0.000 3.118 438 T HA 0.245 4.594 4.350 -0.001 0.000 0.260 438 T C 1.604 176.303 174.700 -0.002 0.000 1.139 438 T CA 1.019 63.116 62.100 -0.005 0.000 1.085 438 T CB 0.293 69.164 68.868 0.004 0.000 0.934 438 T HN 1.230 nan 8.240 nan 0.000 0.518 439 G N 1.187 109.986 108.800 -0.001 0.000 2.217 439 G HA2 -0.082 3.878 3.960 -0.001 0.000 0.246 439 G HA3 -0.082 3.878 3.960 -0.001 0.000 0.246 439 G C 0.353 175.263 174.900 0.016 0.000 0.990 439 G CA -0.131 44.971 45.100 0.004 0.000 0.627 439 G HN 1.201 nan 8.290 nan 0.000 0.522 440 A N 0.782 123.616 122.820 0.022 0.000 2.477 440 A HA 0.633 4.953 4.320 -0.001 0.000 0.246 440 A C 0.807 178.416 177.584 0.042 0.000 1.078 440 A CA 0.016 52.072 52.037 0.032 0.000 0.770 440 A CB 0.211 19.231 19.000 0.034 0.000 1.011 440 A HN 0.907 nan 8.150 nan 0.000 0.494 441 L N 2.579 123.831 121.223 0.049 0.000 2.416 441 L HA 0.162 4.501 4.340 -0.001 0.000 0.272 441 L C -0.067 176.827 176.870 0.039 0.000 1.161 441 L CA 0.142 55.012 54.840 0.051 0.000 0.845 441 L CB 0.378 42.490 42.059 0.088 0.000 1.119 441 L HN 0.544 nan 8.230 nan 0.000 0.464 442 I N 3.273 123.837 120.570 -0.010 0.000 2.312 442 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 442 I C 0.722 176.763 176.117 -0.126 0.000 1.031 442 I CA -0.223 61.060 61.300 -0.029 0.000 1.293 442 I CB 1.320 39.303 38.000 -0.028 0.000 1.403 442 I HN 0.666 nan 8.210 nan 0.000 0.484 443 A N 8.693 131.439 122.820 -0.122 0.000 2.477 443 A HA 0.367 4.686 4.320 -0.001 0.000 0.246 443 A C -2.250 175.135 177.584 -0.331 0.000 1.078 443 A CA -0.995 50.820 52.037 -0.369 0.000 0.770 443 A CB -0.529 18.416 19.000 -0.093 0.000 1.011 443 A HN 0.442 nan 8.150 nan 0.000 0.494 444 P HA 0.107 nan 4.420 nan 0.000 0.265 444 P C 0.676 177.925 177.300 -0.086 0.000 1.187 444 P CA 0.840 63.821 63.100 -0.198 0.000 0.766 444 P CB 0.824 32.336 31.700 -0.312 0.000 0.820 445 A N 2.929 125.754 122.820 0.007 0.000 1.874 445 A HA 0.088 4.407 4.320 -0.001 0.000 0.214 445 A C 0.931 178.511 177.584 -0.008 0.000 1.189 445 A CA 1.870 53.903 52.037 -0.006 0.000 0.615 445 A CB -0.727 18.265 19.000 -0.014 0.000 0.830 445 A HN 0.601 nan 8.150 nan 0.000 0.443 446 T N -2.954 111.608 114.554 0.012 0.000 2.896 446 T HA 0.714 5.063 4.350 -0.001 0.000 0.297 446 T C -0.901 173.842 174.700 0.072 0.000 1.108 446 T CA -0.617 61.496 62.100 0.023 0.000 1.004 446 T CB 1.543 70.419 68.868 0.013 0.000 1.159 446 T HN 0.202 nan 8.240 nan 0.000 0.499 447 I N 2.179 122.794 120.570 0.076 0.000 2.569 447 I HA 0.415 4.584 4.170 -0.001 0.000 0.290 447 I C 0.544 176.785 176.117 0.208 0.000 1.088 447 I CA -1.013 60.378 61.300 0.152 0.000 1.047 447 I CB 2.515 40.502 38.000 -0.022 0.000 1.237 447 I HN 0.969 nan 8.210 nan 0.000 0.421 448 S N 3.575 119.478 115.700 0.338 0.000 2.589 448 S HA 0.113 4.582 4.470 -0.001 0.000 0.265 448 S C 0.434 175.260 174.600 0.377 0.000 1.342 448 S CA -0.108 58.256 58.200 0.273 0.000 1.005 448 S CB 0.626 63.931 63.200 0.176 0.000 0.909 448 S HN 0.830 nan 8.310 nan 0.000 0.555 449 D N 0.587 121.113 120.400 0.210 0.000 2.811 449 D HA -0.183 4.456 4.640 -0.001 0.000 0.231 449 D C 0.944 177.397 176.300 0.255 0.000 1.157 449 D CA 1.214 55.335 54.000 0.202 0.000 0.716 449 D CB -1.743 39.153 40.800 0.160 0.000 1.077 449 D HN 1.510 nan 8.370 nan 0.000 0.428 450 G N -0.844 108.060 108.800 0.174 0.000 2.155 450 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.257 450 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.257 450 G C 0.735 175.664 174.900 0.048 0.000 0.983 450 G CA 0.686 45.847 45.100 0.101 0.000 0.676 450 G HN 0.831 nan 8.290 nan 0.000 0.528 451 G N -0.271 108.538 108.800 0.015 0.000 2.636 451 G HA2 0.631 4.590 3.960 -0.001 0.000 0.246 451 G HA3 0.631 4.590 3.960 -0.001 0.000 0.246 451 G C 0.433 175.153 174.900 -0.300 0.000 1.216 451 G CA 1.059 45.926 45.100 -0.389 0.000 0.854 451 G HN 1.745 nan 8.290 nan 0.000 0.572 452 S N -0.865 114.622 115.700 -0.355 0.000 2.627 452 S HA 0.635 5.104 4.470 -0.001 0.000 0.283 452 S C -1.506 172.989 174.600 -0.176 0.000 1.127 452 S CA -0.897 57.185 58.200 -0.196 0.000 0.863 452 S CB 2.015 65.140 63.200 -0.124 0.000 1.121 452 S HN 0.771 nan 8.310 nan 0.000 0.479 453 Y N 0.697 120.855 120.300 -0.237 0.000 2.350 453 Y HA 0.623 5.172 4.550 -0.002 0.000 0.338 453 Y C -0.906 174.902 175.900 -0.154 0.000 0.961 453 Y CA -0.407 57.560 58.100 -0.222 0.000 1.100 453 Y CB 2.129 40.467 38.460 -0.204 0.000 1.179 453 Y HN 0.841 nan 8.280 nan 0.000 0.454 454 T N 6.288 120.473 114.554 -0.615 0.000 2.963 454 T HA 0.131 4.480 4.350 -0.001 0.000 0.328 454 T C -0.789 173.439 174.700 -0.787 0.000 1.048 454 T CA -0.752 61.013 62.100 -0.558 0.000 1.033 454 T CB 0.504 69.197 68.868 -0.291 0.000 1.010 454 T HN 0.721 nan 8.240 nan 0.000 0.469 455 E N 4.530 124.116 120.200 -1.022 0.000 2.708 455 E HA -0.062 4.288 4.350 -0.001 0.000 0.260 455 E C -1.315 175.080 176.600 -0.341 0.000 0.937 455 E CA -0.733 55.214 56.400 -0.754 0.000 0.953 455 E CB 0.624 30.113 29.700 -0.351 0.000 0.915 455 E HN 0.271 nan 8.360 nan 0.000 0.487 456 P HA 0.209 nan 4.420 nan 0.000 0.263 456 P C -1.079 176.219 177.300 -0.002 0.000 1.448 456 P CA -0.062 62.999 63.100 -0.066 0.000 0.983 456 P CB 0.424 32.128 31.700 0.007 0.000 1.481 457 D N 0.884 121.188 120.400 -0.160 0.000 2.217 457 D HA 0.339 4.978 4.640 -0.001 0.000 0.243 457 D C 0.229 176.479 176.300 -0.082 0.000 1.054 457 D CA -0.340 53.609 54.000 -0.085 0.000 0.838 457 D CB 2.144 42.882 40.800 -0.103 0.000 1.162 457 D HN 0.087 nan 8.370 nan 0.000 0.472 458 I N 1.397 121.909 120.570 -0.096 0.000 2.321 458 I HA 0.219 4.388 4.170 -0.001 0.000 0.291 458 I C 0.179 176.020 176.117 -0.460 0.000 0.998 458 I CA -0.186 60.913 61.300 -0.335 0.000 1.227 458 I CB 1.466 39.138 38.000 -0.547 0.000 1.368 458 I HN 0.016 nan 8.210 nan 0.000 0.466 459 T N 4.997 119.223 114.554 -0.547 0.000 2.861 459 T HA 0.452 4.801 4.350 -0.001 0.000 0.287 459 T C -1.027 173.407 174.700 -0.444 0.000 1.003 459 T CA -0.555 61.346 62.100 -0.332 0.000 0.977 459 T CB 1.270 70.045 68.868 -0.156 0.000 0.996 459 T HN 0.364 nan 8.240 nan 0.000 0.448 460 W N 2.225 123.524 121.300 -0.002 0.000 2.666 460 W HA 0.449 5.108 4.660 -0.001 0.000 0.334 460 W C 0.009 176.525 176.519 -0.006 0.000 1.051 460 W CA -0.779 56.568 57.345 0.004 0.000 1.224 460 W CB 1.511 30.981 29.460 0.015 0.000 1.405 460 W HN 0.438 nan 8.180 nan 0.000 0.513 461 N N 3.298 122.132 118.700 0.223 0.000 2.518 461 N HA 0.370 5.109 4.740 -0.001 0.000 0.254 461 N C -1.493 174.111 175.510 0.158 0.000 0.979 461 N CA -0.189 52.943 53.050 0.137 0.000 0.930 461 N CB 0.722 39.255 38.487 0.076 0.000 1.152 461 N HN 0.349 nan 8.380 nan 0.000 0.505 462 L N 5.706 127.022 121.223 0.155 0.000 2.277 462 L HA 0.452 4.791 4.340 -0.001 0.000 0.284 462 L C -1.127 175.864 176.870 0.202 0.000 1.028 462 L CA -1.502 53.452 54.840 0.190 0.000 0.835 462 L CB 1.906 44.131 42.059 0.277 0.000 1.215 462 L HN 0.326 nan 8.230 nan 0.000 0.425 463 P HA -0.015 nan 4.420 nan 0.000 0.226 463 P C 0.082 177.472 177.300 0.150 0.000 1.153 463 P CA 0.566 63.742 63.100 0.127 0.000 0.777 463 P CB 0.621 32.371 31.700 0.083 0.000 0.794 464 S N -1.888 113.903 115.700 0.151 0.000 2.579 464 S HA 0.275 4.745 4.470 -0.001 0.000 0.272 464 S C -1.319 173.207 174.600 -0.122 0.000 1.141 464 S CA -0.608 57.635 58.200 0.072 0.000 0.843 464 S CB 0.924 64.135 63.200 0.019 0.000 1.122 464 S HN 0.023 nan 8.310 nan 0.000 0.468 465 Y N 2.091 122.060 120.300 -0.553 0.000 2.810 465 Y HA 0.241 4.790 4.550 -0.001 0.000 0.332 465 Y C 0.439 176.038 175.900 -0.503 0.000 1.243 465 Y CA 1.286 58.745 58.100 -1.067 0.000 1.537 465 Y CB 0.363 38.382 38.460 -0.736 0.000 1.265 465 Y HN 0.541 nan 8.280 nan 0.000 0.572 466 T N 6.262 120.051 114.554 -1.276 0.000 2.912 466 T HA 0.139 4.488 4.350 -0.001 0.000 0.299 466 T C 0.679 174.691 174.700 -1.148 0.000 1.052 466 T CA -0.746 60.842 62.100 -0.853 0.000 0.996 466 T CB 1.035 69.669 68.868 -0.391 0.000 1.070 466 T HN 0.894 nan 8.240 nan 0.000 0.465 467 N N 2.479 120.789 118.700 -0.650 0.000 2.149 467 N HA -0.061 4.678 4.740 -0.001 0.000 0.188 467 N C 0.335 175.696 175.510 -0.248 0.000 1.019 467 N CA 1.362 54.223 53.050 -0.315 0.000 0.857 467 N CB 0.227 38.673 38.487 -0.068 0.000 0.997 467 N HN 0.893 nan 8.380 nan 0.000 0.426 468 E N -1.143 118.896 120.200 -0.268 0.000 2.407 468 E HA 0.407 4.757 4.350 -0.001 0.000 0.279 468 E C -0.999 175.418 176.600 -0.305 0.000 1.012 468 E CA -1.009 55.249 56.400 -0.237 0.000 0.800 468 E CB 1.873 31.479 29.700 -0.156 0.000 1.276 468 E HN -0.095 nan 8.360 nan 0.000 0.452 469 V N -1.357 118.323 119.914 -0.391 0.000 3.126 469 V HA 0.941 5.060 4.120 -0.001 0.000 0.314 469 V C -0.349 175.584 176.094 -0.268 0.000 1.138 469 V CA -0.163 61.831 62.300 -0.509 0.000 1.034 469 V CB 1.271 32.302 31.823 -1.320 0.000 1.075 469 V HN 1.057 nan 8.190 nan 0.000 0.442 470 S N 0.348 116.025 115.700 -0.039 0.000 2.615 470 S HA 0.903 5.372 4.470 -0.001 0.000 0.269 470 S C -1.255 173.556 174.600 0.351 0.000 1.161 470 S CA -0.470 57.772 58.200 0.071 0.000 0.817 470 S CB 1.803 64.962 63.200 -0.069 0.000 1.131 470 S HN 2.247 nan 8.310 nan 0.000 0.467 471 Y N -1.676 118.673 120.300 0.082 0.000 2.638 471 Y HA 0.853 5.403 4.550 -0.001 0.000 0.335 471 Y C -0.646 175.226 175.900 -0.047 0.000 1.155 471 Y CA -0.584 57.548 58.100 0.054 0.000 1.046 471 Y CB 1.012 39.520 38.460 0.081 0.000 1.303 471 Y HN 1.070 nan 8.280 nan 0.000 0.460 472 T N -0.082 114.518 114.554 0.077 0.000 2.916 472 T HA 0.845 5.194 4.350 -0.001 0.000 0.292 472 T C -1.172 173.583 174.700 0.093 0.000 1.064 472 T CA -0.685 61.359 62.100 -0.092 0.000 1.011 472 T CB 2.016 70.787 68.868 -0.162 0.000 1.152 472 T HN 1.108 nan 8.240 nan 0.000 0.510 473 F N -1.484 118.372 119.950 -0.157 0.000 2.626 473 F HA 0.875 5.402 4.527 -0.001 0.000 0.311 473 F C -0.658 175.033 175.800 -0.182 0.000 1.088 473 F CA -1.116 56.794 58.000 -0.150 0.000 0.949 473 F CB 1.834 40.733 39.000 -0.169 0.000 1.322 473 F HN 0.786 nan 8.300 nan 0.000 0.461 474 S N 1.692 117.399 115.700 0.012 0.000 2.652 474 S HA 0.503 4.973 4.470 -0.001 0.000 0.273 474 S C -1.987 172.648 174.600 0.058 0.000 1.172 474 S CA -0.267 57.896 58.200 -0.062 0.000 1.009 474 S CB 1.277 64.412 63.200 -0.107 0.000 1.094 474 S HN 0.976 nan 8.310 nan 0.000 0.471 475 Q N 4.894 124.764 119.800 0.117 0.000 2.350 475 Q HA 0.537 4.876 4.340 -0.001 0.000 0.255 475 Q C -2.959 173.133 176.000 0.154 0.000 0.951 475 Q CA -1.521 54.373 55.803 0.150 0.000 0.751 475 Q CB 1.888 30.759 28.738 0.221 0.000 1.296 475 Q HN 0.373 nan 8.270 nan 0.000 0.453 476 P HA 0.132 nan 4.420 nan 0.000 0.267 476 P C -1.308 176.040 177.300 0.080 0.000 1.200 476 P CA -0.215 62.928 63.100 0.072 0.000 0.772 476 P CB 1.014 32.737 31.700 0.038 0.000 0.855 477 V N 2.605 122.556 119.914 0.062 0.000 2.969 477 V HA 0.485 4.604 4.120 -0.001 0.000 0.304 477 V C -1.217 174.879 176.094 0.003 0.000 1.192 477 V CA -0.228 62.096 62.300 0.040 0.000 0.962 477 V CB 2.650 34.504 31.823 0.052 0.000 1.045 477 V HN 0.461 nan 8.190 nan 0.000 0.428 478 T N 7.260 121.809 114.554 -0.009 0.000 2.824 478 T HA 0.683 5.033 4.350 -0.001 0.000 0.282 478 T C -0.667 174.014 174.700 -0.032 0.000 0.993 478 T CA -0.143 61.941 62.100 -0.025 0.000 0.967 478 T CB 1.107 69.962 68.868 -0.022 0.000 0.960 478 T HN 0.539 nan 8.240 nan 0.000 0.441 479 I N 2.850 123.393 120.570 -0.044 0.000 2.410 479 I HA 0.521 4.690 4.170 -0.001 0.000 0.286 479 I C 1.109 177.202 176.117 -0.040 0.000 1.009 479 I CA -0.412 60.861 61.300 -0.044 0.000 1.111 479 I CB 1.252 39.217 38.000 -0.058 0.000 1.262 479 I HN 0.904 nan 8.210 nan 0.000 0.443 480 G N 6.194 114.977 108.800 -0.029 0.000 2.601 480 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.306 480 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.306 480 G C 0.669 175.554 174.900 -0.026 0.000 1.172 480 G CA 0.580 45.666 45.100 -0.023 0.000 0.966 480 G HN 0.615 nan 8.290 nan 0.000 0.542 481 K N 1.049 121.429 120.400 -0.033 0.000 2.402 481 K HA 0.387 4.706 4.320 -0.001 0.000 0.203 481 K C 1.154 177.716 176.600 -0.064 0.000 1.077 481 K CA 0.456 56.720 56.287 -0.040 0.000 1.051 481 K CB 1.113 33.594 32.500 -0.032 0.000 0.907 481 K HN 0.655 nan 8.250 nan 0.000 0.554 482 G N 0.993 109.746 108.800 -0.077 0.000 2.370 482 G HA2 0.235 4.194 3.960 -0.001 0.000 0.272 482 G HA3 0.235 4.194 3.960 -0.001 0.000 0.272 482 G C -0.506 174.342 174.900 -0.087 0.000 1.208 482 G CA 0.062 45.096 45.100 -0.109 0.000 0.856 482 G HN -0.086 nan 8.290 nan 0.000 0.500 483 T N 0.947 115.447 114.554 -0.091 0.000 2.863 483 T HA 0.724 5.073 4.350 -0.001 0.000 0.285 483 T C -0.038 174.626 174.700 -0.059 0.000 1.009 483 T CA -0.361 61.703 62.100 -0.061 0.000 0.989 483 T CB 2.054 70.893 68.868 -0.049 0.000 1.004 483 T HN 0.662 nan 8.240 nan 0.000 0.455 484 T N 0.653 115.189 114.554 -0.029 0.000 2.665 484 T HA 0.569 4.919 4.350 -0.001 0.000 0.303 484 T C -1.419 173.298 174.700 0.028 0.000 1.334 484 T CA -0.430 61.662 62.100 -0.013 0.000 1.011 484 T CB 1.638 70.493 68.868 -0.021 0.000 1.573 484 T HN 0.500 nan 8.240 nan 0.000 0.492 485 T N 2.437 117.016 114.554 0.042 0.000 2.786 485 T HA 0.513 4.863 4.350 -0.001 0.000 0.283 485 T C -1.238 173.554 174.700 0.154 0.000 0.992 485 T CA -0.293 61.851 62.100 0.074 0.000 0.954 485 T CB 0.305 69.182 68.868 0.016 0.000 0.934 485 T HN 0.407 nan 8.240 nan 0.000 0.440 486 F N 5.144 125.121 119.950 0.046 0.000 2.413 486 F HA 0.546 5.073 4.527 -0.001 0.000 0.359 486 F C 0.357 176.248 175.800 0.153 0.000 1.122 486 F CA -1.050 57.028 58.000 0.130 0.000 1.160 486 F CB -0.208 38.903 39.000 0.186 0.000 1.146 486 F HN 0.530 nan 8.300 nan 0.000 0.514 487 S N 3.946 119.494 115.700 -0.253 0.000 2.588 487 S HA 1.021 5.490 4.470 -0.001 0.000 0.275 487 S C -0.540 173.300 174.600 -1.267 0.000 1.130 487 S CA -0.286 57.428 58.200 -0.810 0.000 0.855 487 S CB 1.711 64.650 63.200 -0.435 0.000 1.116 487 S HN 1.245 nan 8.310 nan 0.000 0.472 488 G N 0.025 107.727 108.800 -1.830 0.000 2.356 488 G HA2 0.550 4.510 3.960 -0.001 0.000 0.294 488 G HA3 0.550 4.510 3.960 -0.001 0.000 0.294 488 G C -1.655 172.683 174.900 -0.935 0.000 1.423 488 G CA -0.599 43.773 45.100 -1.214 0.000 0.806 488 G HN 0.866 nan 8.290 nan 0.000 0.527 489 T N 0.110 114.296 114.554 -0.613 0.000 2.848 489 T HA 0.613 4.962 4.350 -0.001 0.000 0.285 489 T C -0.606 173.664 174.700 -0.717 0.000 0.995 489 T CA -0.413 61.365 62.100 -0.536 0.000 0.970 489 T CB 1.760 70.418 68.868 -0.348 0.000 0.976 489 T HN 0.653 nan 8.240 nan 0.000 0.441 490 V N 3.380 122.757 119.914 -0.895 0.000 2.409 490 V HA 0.510 4.630 4.120 -0.001 0.000 0.291 490 V C 0.181 175.899 176.094 -0.626 0.000 1.020 490 V CA -0.742 60.889 62.300 -1.115 0.000 0.848 490 V CB 1.775 32.644 31.823 -1.590 0.000 0.990 490 V HN 0.964 nan 8.190 nan 0.000 0.430 491 T N 4.293 118.597 114.554 -0.417 0.000 2.829 491 T HA 0.485 4.834 4.350 -0.001 0.000 0.282 491 T C -0.446 174.183 174.700 -0.118 0.000 0.990 491 T CA -0.346 61.626 62.100 -0.212 0.000 1.028 491 T CB 1.467 70.244 68.868 -0.152 0.000 0.951 491 T HN 0.663 nan 8.240 nan 0.000 0.460 492 Q N 3.834 123.572 119.800 -0.104 0.000 2.401 492 Q HA 0.395 4.734 4.340 -0.001 0.000 0.260 492 Q C -2.841 173.095 176.000 -0.106 0.000 1.034 492 Q CA -2.259 53.503 55.803 -0.067 0.000 0.737 492 Q CB 1.177 29.876 28.738 -0.066 0.000 1.227 492 Q HN 0.228 nan 8.270 nan 0.000 0.488 493 P HA 0.162 nan 4.420 nan 0.000 0.271 493 P C -0.984 176.302 177.300 -0.024 0.000 1.216 493 P CA 0.019 63.095 63.100 -0.040 0.000 0.776 493 P CB 0.679 32.382 31.700 0.006 0.000 0.881 494 L N 3.017 124.224 121.223 -0.027 0.000 2.325 494 L HA 0.435 4.775 4.340 -0.001 0.000 0.281 494 L C 0.447 177.435 176.870 0.196 0.000 1.004 494 L CA -0.781 54.088 54.840 0.048 0.000 0.823 494 L CB 1.540 43.590 42.059 -0.014 0.000 1.236 494 L HN 0.189 nan 8.230 nan 0.000 0.415 495 K N 2.110 122.642 120.400 0.220 0.000 2.249 495 K HA 0.567 4.887 4.320 -0.001 0.000 0.280 495 K C 0.275 177.056 176.600 0.301 0.000 1.033 495 K CA -0.381 56.039 56.287 0.222 0.000 0.946 495 K CB 1.661 34.237 32.500 0.128 0.000 1.005 495 K HN 0.692 nan 8.250 nan 0.000 0.469 496 A N 0.000 122.898 122.820 0.130 0.000 2.254 496 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 496 A CA 0.000 51.951 52.037 -0.143 0.000 0.836 496 A CB 0.000 18.735 19.000 -0.442 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486