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 1o6v_1_B 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 TSLQQLSFGN QVTDLKPLAN LTTLERLDIS SNKVSDISVL AKLTNLESLI DATA SEQUENCE ATNNQISDIT PLGILTNLDE LSLNGNQLKD IGTLASLTNL TDLDLANNQI DATA SEQUENCE SNLAPLSGLT KLTELKLGAN QISNISPLAG LTALTNLELN ENQLEDISPI DATA SEQUENCE SNLKNLTYLT LYFNNISDIS PVSSLTKLQR LFFYNNKVSD 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 0.000 177.705 177.584 0.201 0.000 1.274 36 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 36 A CB 0.000 18.797 19.000 -0.339 0.000 0.831 37 T N -0.289 114.436 114.554 0.285 0.000 2.900 37 T HA 0.727 5.076 4.350 -0.001 0.000 0.295 37 T C 0.063 174.836 174.700 0.120 0.000 1.044 37 T CA -0.349 61.902 62.100 0.251 0.000 0.995 37 T CB 1.099 70.028 68.868 0.102 0.000 1.072 37 T HN 1.728 nan 8.240 nan 0.000 0.473 38 I N 0.865 121.347 120.570 -0.146 0.000 2.496 38 I HA 0.412 4.581 4.170 -0.001 0.000 0.285 38 I C 1.122 177.167 176.117 -0.121 0.000 1.080 38 I CA -0.609 60.510 61.300 -0.302 0.000 1.404 38 I CB 1.103 38.822 38.000 -0.469 0.000 1.403 38 I HN 0.883 nan 8.210 nan 0.000 0.539 39 T N 1.678 116.176 114.554 -0.094 0.000 3.081 39 T HA 0.151 4.500 4.350 -0.001 0.000 0.250 39 T C 0.456 175.127 174.700 -0.048 0.000 1.100 39 T CA 0.119 62.191 62.100 -0.047 0.000 1.038 39 T CB -0.206 68.646 68.868 -0.026 0.000 0.962 39 T HN 0.871 nan 8.240 nan 0.000 0.516 40 Q N 0.055 119.814 119.800 -0.069 0.000 2.462 40 Q HA 0.525 4.864 4.340 -0.001 0.000 0.285 40 Q C -2.101 173.858 176.000 -0.069 0.000 1.035 40 Q CA -1.178 54.593 55.803 -0.055 0.000 0.799 40 Q CB 0.845 29.556 28.738 -0.045 0.000 1.452 40 Q HN -0.123 nan 8.270 nan 0.000 0.404 41 D N 1.677 122.047 120.400 -0.050 0.000 2.488 41 D HA 0.229 4.868 4.640 -0.001 0.000 0.238 41 D C -0.727 175.540 176.300 -0.055 0.000 1.138 41 D CA 0.889 54.860 54.000 -0.047 0.000 0.873 41 D CB 0.847 41.631 40.800 -0.027 0.000 1.183 41 D HN 0.462 nan 8.370 nan 0.000 0.458 42 T N 2.511 117.026 114.554 -0.065 0.000 2.916 42 T HA 0.430 4.779 4.350 -0.001 0.000 0.298 42 T C -2.621 172.054 174.700 -0.041 0.000 1.031 42 T CA -1.427 60.629 62.100 -0.073 0.000 0.993 42 T CB 2.082 70.866 68.868 -0.139 0.000 1.045 42 T HN 0.035 nan 8.240 nan 0.000 0.454 43 P HA 0.200 nan 4.420 nan 0.000 0.265 43 P C 0.807 178.125 177.300 0.030 0.000 1.187 43 P CA -0.030 63.074 63.100 0.007 0.000 0.766 43 P CB 0.452 32.156 31.700 0.007 0.000 0.820 44 I N 2.056 122.673 120.570 0.078 0.000 2.208 44 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 44 I C 1.904 178.145 176.117 0.207 0.000 1.097 44 I CA 1.772 63.181 61.300 0.181 0.000 1.363 44 I CB -0.519 37.589 38.000 0.179 0.000 1.051 44 I HN 0.479 nan 8.210 nan 0.000 0.413 45 N N 0.601 119.376 118.700 0.125 0.000 2.521 45 N HA -0.150 4.589 4.740 -0.001 0.000 0.188 45 N C 1.365 176.914 175.510 0.065 0.000 1.146 45 N CA 0.801 53.920 53.050 0.114 0.000 0.893 45 N CB -0.245 38.291 38.487 0.081 0.000 0.975 45 N HN 0.503 nan 8.380 nan 0.000 0.451 46 Q N -0.359 119.456 119.800 0.024 0.000 2.396 46 Q HA 0.311 4.650 4.340 -0.001 0.000 0.209 46 Q C 1.537 177.492 176.000 -0.074 0.000 0.906 46 Q CA 0.190 55.982 55.803 -0.018 0.000 0.927 46 Q CB 0.441 29.160 28.738 -0.031 0.000 1.069 46 Q HN 0.398 nan 8.270 nan 0.000 0.523 47 I N -0.616 119.874 120.570 -0.134 0.000 2.270 47 I HA -0.081 4.088 4.170 -0.001 0.000 0.239 47 I C 0.068 175.928 176.117 -0.428 0.000 1.080 47 I CA 0.717 61.795 61.300 -0.370 0.000 1.383 47 I CB 0.291 37.922 38.000 -0.614 0.000 1.097 47 I HN -0.011 nan 8.210 nan 0.000 0.420 48 F N 1.523 121.512 119.950 0.065 0.000 2.303 48 F HA 0.174 4.701 4.527 -0.000 0.000 0.368 48 F C 1.565 177.392 175.800 0.045 0.000 1.105 48 F CA -0.642 57.397 58.000 0.066 0.000 1.153 48 F CB 0.371 39.414 39.000 0.072 0.000 1.362 48 F HN -0.043 nan 8.300 nan 0.000 0.511 49 T N -2.625 112.014 114.554 0.142 0.000 3.055 49 T HA -0.117 4.232 4.350 -0.001 0.000 0.265 49 T C 0.588 175.344 174.700 0.094 0.000 1.111 49 T CA 0.162 62.316 62.100 0.091 0.000 1.118 49 T CB -0.089 68.808 68.868 0.048 0.000 0.909 49 T HN 0.465 nan 8.240 nan 0.000 0.501 50 D N 1.573 122.044 120.400 0.118 0.000 2.371 50 D HA 0.017 4.657 4.640 -0.001 0.000 0.256 50 D C 1.114 177.470 176.300 0.094 0.000 1.193 50 D CA 0.195 54.251 54.000 0.093 0.000 0.881 50 D CB 1.564 42.421 40.800 0.094 0.000 1.143 50 D HN 0.128 nan 8.370 nan 0.000 0.473 51 T N 2.656 117.249 114.554 0.066 0.000 2.833 51 T HA -0.127 4.222 4.350 -0.001 0.000 0.269 51 T C 1.705 176.434 174.700 0.047 0.000 1.054 51 T CA 1.686 63.819 62.100 0.055 0.000 1.135 51 T CB 0.031 68.922 68.868 0.039 0.000 0.869 51 T HN 0.518 nan 8.240 nan 0.000 0.466 52 A N 0.928 123.776 122.820 0.046 0.000 1.897 52 A HA 0.126 4.446 4.320 -0.001 0.000 0.215 52 A C 2.190 179.795 177.584 0.034 0.000 1.181 52 A CA 1.374 53.433 52.037 0.036 0.000 0.620 52 A CB -0.796 18.229 19.000 0.041 0.000 0.821 52 A HN 0.517 nan 8.150 nan 0.000 0.443 53 L N -0.285 120.975 121.223 0.062 0.000 2.093 53 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 53 L C 2.608 179.453 176.870 -0.042 0.000 1.085 53 L CA 1.917 56.782 54.840 0.042 0.000 0.755 53 L CB -0.773 41.361 42.059 0.125 0.000 0.904 53 L HN 0.330 nan 8.230 nan 0.000 0.435 54 A N -0.772 122.076 122.820 0.046 0.000 1.933 54 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 54 A C 2.242 179.821 177.584 -0.008 0.000 1.175 54 A CA 1.650 53.718 52.037 0.052 0.000 0.628 54 A CB -0.631 18.443 19.000 0.123 0.000 0.814 54 A HN 0.505 nan 8.150 nan 0.000 0.444 55 E N 0.298 120.496 120.200 -0.003 0.000 2.110 55 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 55 E C 1.945 178.519 176.600 -0.043 0.000 0.988 55 E CA 1.818 58.210 56.400 -0.013 0.000 0.804 55 E CB -0.168 29.531 29.700 -0.003 0.000 0.745 55 E HN 0.492 nan 8.360 nan 0.000 0.458 56 K N -0.387 119.973 120.400 -0.066 0.000 2.057 56 K HA -0.059 4.260 4.320 -0.001 0.000 0.206 56 K C 1.872 178.391 176.600 -0.136 0.000 1.050 56 K CA 1.603 57.833 56.287 -0.095 0.000 0.935 56 K CB -0.237 32.201 32.500 -0.103 0.000 0.715 56 K HN 0.115 nan 8.250 nan 0.000 0.439 57 M N 1.248 120.718 119.600 -0.216 0.000 2.229 57 M HA -0.084 4.395 4.480 -0.001 0.000 0.264 57 M C 2.006 178.234 176.300 -0.121 0.000 1.063 57 M CA 1.493 56.626 55.300 -0.279 0.000 1.114 57 M CB -0.913 31.292 32.600 -0.659 0.000 1.387 57 M HN 0.267 nan 8.290 nan 0.000 0.420 58 K N 0.052 120.410 120.400 -0.069 0.000 2.032 58 K HA -0.162 4.157 4.320 -0.001 0.000 0.209 58 K C 1.730 178.314 176.600 -0.027 0.000 1.048 58 K CA 2.020 58.293 56.287 -0.023 0.000 0.927 58 K CB -0.049 32.447 32.500 -0.008 0.000 0.712 58 K HN 0.255 nan 8.250 nan 0.000 0.441 59 T N 0.940 115.470 114.554 -0.040 0.000 2.777 59 T HA -0.094 4.255 4.350 -0.001 0.000 0.266 59 T C 1.929 176.606 174.700 -0.038 0.000 1.040 59 T CA 1.357 63.436 62.100 -0.035 0.000 1.141 59 T CB -0.153 68.692 68.868 -0.039 0.000 0.868 59 T HN 0.022 nan 8.240 nan 0.000 0.444 60 V N 1.459 121.340 119.914 -0.056 0.000 2.392 60 V HA -0.078 4.042 4.120 -0.001 0.000 0.249 60 V C 2.159 178.237 176.094 -0.027 0.000 1.059 60 V CA 1.464 63.733 62.300 -0.051 0.000 1.051 60 V CB -0.563 31.212 31.823 -0.079 0.000 0.658 60 V HN 0.461 nan 8.190 nan 0.000 0.455 61 L N 0.200 121.411 121.223 -0.020 0.000 2.591 61 L HA 0.326 4.665 4.340 -0.001 0.000 0.228 61 L C 1.581 178.455 176.870 0.006 0.000 1.133 61 L CA 0.697 55.540 54.840 0.005 0.000 0.880 61 L CB -0.464 41.611 42.059 0.027 0.000 1.033 61 L HN 0.519 nan 8.230 nan 0.000 0.450 62 G N 0.324 109.122 108.800 -0.003 0.000 2.221 62 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.265 62 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.265 62 G C 0.224 175.125 174.900 0.003 0.000 1.041 62 G CA 0.085 45.185 45.100 -0.001 0.000 0.807 62 G HN 0.186 nan 8.290 nan 0.000 0.502 63 K N -0.688 119.714 120.400 0.003 0.000 2.168 63 K HA 0.741 5.060 4.320 -0.001 0.000 0.239 63 K C 1.407 178.009 176.600 0.004 0.000 0.999 63 K CA 0.082 56.373 56.287 0.007 0.000 0.900 63 K CB 1.184 33.693 32.500 0.015 0.000 1.111 63 K HN 0.362 nan 8.250 nan 0.000 0.452 64 T N -3.217 111.340 114.554 0.006 0.000 3.040 64 T HA 0.174 4.523 4.350 -0.001 0.000 0.266 64 T C 0.197 174.901 174.700 0.007 0.000 1.005 64 T CA -0.232 61.871 62.100 0.004 0.000 0.906 64 T CB 0.040 68.910 68.868 0.004 0.000 1.082 64 T HN 0.368 nan 8.240 nan 0.000 0.531 65 N N 0.887 119.594 118.700 0.011 0.000 2.308 65 N HA 0.237 4.976 4.740 -0.001 0.000 0.283 65 N C 0.892 176.414 175.510 0.021 0.000 1.105 65 N CA -0.273 52.785 53.050 0.014 0.000 0.840 65 N CB 2.454 40.948 38.487 0.012 0.000 1.633 65 N HN -0.008 nan 8.380 nan 0.000 0.476 66 V N 0.420 120.349 119.914 0.025 0.000 2.913 66 V HA -0.060 4.059 4.120 -0.001 0.000 0.260 66 V C 1.568 177.689 176.094 0.045 0.000 1.098 66 V CA 2.158 64.481 62.300 0.039 0.000 1.121 66 V CB -1.404 30.444 31.823 0.042 0.000 0.714 66 V HN 0.808 nan 8.190 nan 0.000 0.487 67 T N -3.332 111.241 114.554 0.031 0.000 3.129 67 T HA 0.117 4.466 4.350 -0.001 0.000 0.251 67 T C 0.320 175.033 174.700 0.022 0.000 1.117 67 T CA -0.123 61.993 62.100 0.026 0.000 1.034 67 T CB -0.611 68.267 68.868 0.018 0.000 0.968 67 T HN 0.459 nan 8.240 nan 0.000 0.526 68 D N 3.931 124.345 120.400 0.024 0.000 2.455 68 D HA 0.184 4.823 4.640 -0.001 0.000 0.241 68 D C 0.694 177.008 176.300 0.023 0.000 1.138 68 D CA 0.413 54.425 54.000 0.020 0.000 0.877 68 D CB 1.091 41.904 40.800 0.021 0.000 1.187 68 D HN 0.473 nan 8.370 nan 0.000 0.451 69 T N -1.432 113.130 114.554 0.013 0.000 2.913 69 T HA 0.489 4.839 4.350 -0.001 0.000 0.297 69 T C 0.362 175.071 174.700 0.014 0.000 1.029 69 T CA -0.861 61.243 62.100 0.007 0.000 1.104 69 T CB 0.894 69.760 68.868 -0.004 0.000 0.964 69 T HN 0.206 nan 8.240 nan 0.000 0.532 70 V N -0.574 119.347 119.914 0.013 0.000 3.001 70 V HA 0.885 5.005 4.120 -0.001 0.000 0.314 70 V C 0.024 176.116 176.094 -0.003 0.000 1.099 70 V CA -1.055 61.257 62.300 0.019 0.000 0.989 70 V CB 1.594 33.450 31.823 0.054 0.000 1.040 70 V HN 1.237 nan 8.190 nan 0.000 0.434 71 S N 1.077 116.778 115.700 0.002 0.000 2.687 71 S HA 0.419 4.889 4.470 -0.001 0.000 0.283 71 S C 0.740 175.337 174.600 -0.005 0.000 1.170 71 S CA -0.025 58.169 58.200 -0.010 0.000 1.008 71 S CB 1.683 64.881 63.200 -0.003 0.000 1.026 71 S HN 0.924 nan 8.310 nan 0.000 0.541 72 Q N 0.764 120.554 119.800 -0.016 0.000 2.135 72 Q HA -0.099 4.240 4.340 -0.001 0.000 0.204 72 Q C 2.069 178.085 176.000 0.027 0.000 0.981 72 Q CA 2.434 58.240 55.803 0.005 0.000 0.856 72 Q CB -1.122 27.618 28.738 0.003 0.000 0.902 72 Q HN 0.932 nan 8.270 nan 0.000 0.425 73 T N -0.491 114.075 114.554 0.020 0.000 2.915 73 T HA -0.124 4.225 4.350 -0.001 0.000 0.269 73 T C 0.932 175.650 174.700 0.030 0.000 1.071 73 T CA 1.427 63.542 62.100 0.024 0.000 1.132 73 T CB -0.267 68.612 68.868 0.017 0.000 0.878 73 T HN 0.344 nan 8.240 nan 0.000 0.479 74 D N 1.015 121.434 120.400 0.031 0.000 2.097 74 D HA -0.003 4.637 4.640 -0.001 0.000 0.197 74 D C 2.161 178.496 176.300 0.059 0.000 0.984 74 D CA 0.926 54.949 54.000 0.039 0.000 0.826 74 D CB -0.373 40.450 40.800 0.039 0.000 0.973 74 D HN 0.407 nan 8.370 nan 0.000 0.460 75 L N 0.889 122.157 121.223 0.076 0.000 2.083 75 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 75 L C 1.780 178.709 176.870 0.099 0.000 1.083 75 L CA 0.913 55.823 54.840 0.117 0.000 0.752 75 L CB -0.316 41.828 42.059 0.141 0.000 0.899 75 L HN -0.107 nan 8.230 nan 0.000 0.433 76 D N -0.402 120.042 120.400 0.074 0.000 2.309 76 D HA -0.145 4.494 4.640 -0.001 0.000 0.212 76 D C 2.196 178.526 176.300 0.051 0.000 0.968 76 D CA 0.734 54.771 54.000 0.061 0.000 0.882 76 D CB -0.014 40.814 40.800 0.046 0.000 0.918 76 D HN 0.297 nan 8.370 nan 0.000 0.503 77 Q N -0.109 119.719 119.800 0.047 0.000 2.435 77 Q HA 0.046 4.385 4.340 -0.001 0.000 0.207 77 Q C 0.303 176.323 176.000 0.035 0.000 0.956 77 Q CA 0.138 55.962 55.803 0.035 0.000 0.917 77 Q CB 0.203 28.958 28.738 0.028 0.000 0.997 77 Q HN 0.144 nan 8.270 nan 0.000 0.497 78 V N 2.461 122.403 119.914 0.048 0.000 2.389 78 V HA 0.093 4.212 4.120 -0.001 0.000 0.264 78 V C 1.288 177.408 176.094 0.043 0.000 1.049 78 V CA 0.532 62.857 62.300 0.042 0.000 0.932 78 V CB 0.895 32.752 31.823 0.057 0.000 1.011 78 V HN 0.316 nan 8.190 nan 0.000 0.475 79 T N 0.067 114.637 114.554 0.028 0.000 2.990 79 T HA 0.170 4.520 4.350 -0.001 0.000 0.250 79 T C 0.662 175.374 174.700 0.020 0.000 1.041 79 T CA 0.082 62.198 62.100 0.027 0.000 1.010 79 T CB 0.468 69.348 68.868 0.020 0.000 1.003 79 T HN 0.535 nan 8.240 nan 0.000 0.499 80 T N 1.764 116.322 114.554 0.007 0.000 2.956 80 T HA 0.661 5.011 4.350 -0.001 0.000 0.312 80 T C -2.231 172.447 174.700 -0.037 0.000 1.151 80 T CA -0.592 61.502 62.100 -0.010 0.000 1.024 80 T CB 2.193 71.052 68.868 -0.016 0.000 1.140 80 T HN 0.205 nan 8.240 nan 0.000 0.473 81 L N 3.197 124.378 121.223 -0.071 0.000 2.446 81 L HA 0.519 4.858 4.340 -0.001 0.000 0.268 81 L C -0.666 176.050 176.870 -0.257 0.000 0.975 81 L CA -0.222 54.530 54.840 -0.146 0.000 0.848 81 L CB 1.803 43.795 42.059 -0.112 0.000 1.225 81 L HN 0.688 nan 8.230 nan 0.000 0.410 82 Q N 3.983 123.645 119.800 -0.231 0.000 2.563 82 Q HA 0.673 5.013 4.340 -0.001 0.000 0.232 82 Q C -0.286 175.541 176.000 -0.290 0.000 1.106 82 Q CA -0.035 55.625 55.803 -0.239 0.000 0.913 82 Q CB 1.045 29.700 28.738 -0.138 0.000 1.175 82 Q HN 0.809 nan 8.270 nan 0.000 0.540 83 A N 3.880 126.412 122.820 -0.481 0.000 2.793 83 A HA 0.162 4.481 4.320 -0.001 0.000 0.301 83 A C -0.511 176.889 177.584 -0.306 0.000 1.172 83 A CA -0.643 51.120 52.037 -0.457 0.000 0.973 83 A CB 0.038 18.582 19.000 -0.760 0.000 1.164 83 A HN 0.739 nan 8.150 nan 0.000 0.542 84 D N -0.406 119.870 120.400 -0.207 0.000 2.304 84 D HA 0.179 4.819 4.640 -0.001 0.000 0.247 84 D C 0.413 176.683 176.300 -0.049 0.000 1.089 84 D CA -0.452 53.487 54.000 -0.101 0.000 0.910 84 D CB 0.601 41.352 40.800 -0.081 0.000 1.199 84 D HN 0.272 nan 8.370 nan 0.000 0.426 85 R N 0.727 121.220 120.500 -0.011 0.000 3.336 85 R HA -0.160 4.179 4.340 -0.001 0.000 0.260 85 R C -0.486 175.816 176.300 0.002 0.000 1.032 85 R CA 0.210 56.310 56.100 0.001 0.000 0.693 85 R CB -1.555 28.743 30.300 -0.003 0.000 1.134 85 R HN 0.664 nan 8.270 nan 0.000 0.433 86 L N -0.790 120.442 121.223 0.014 0.000 2.966 86 L HA 0.252 4.592 4.340 -0.001 0.000 0.262 86 L C 1.402 178.291 176.870 0.031 0.000 1.165 86 L CA 0.494 55.343 54.840 0.016 0.000 0.978 86 L CB 1.001 43.065 42.059 0.009 0.000 1.337 86 L HN 0.562 nan 8.230 nan 0.000 0.563 87 G N 1.667 110.489 108.800 0.037 0.000 2.198 87 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.257 87 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.257 87 G C 0.109 175.038 174.900 0.047 0.000 1.042 87 G CA -0.084 45.038 45.100 0.036 0.000 0.791 87 G HN 0.299 nan 8.290 nan 0.000 0.502 88 I N -0.370 120.243 120.570 0.071 0.000 2.441 88 I HA 0.231 4.400 4.170 -0.001 0.000 0.287 88 I C 1.409 177.558 176.117 0.054 0.000 1.049 88 I CA -0.024 61.326 61.300 0.083 0.000 1.381 88 I CB 1.183 39.278 38.000 0.158 0.000 1.409 88 I HN 0.085 nan 8.210 nan 0.000 0.523 89 K N 2.857 123.279 120.400 0.036 0.000 2.367 89 K HA 0.176 4.496 4.320 -0.001 0.000 0.195 89 K C 0.291 176.890 176.600 -0.002 0.000 1.060 89 K CA 0.193 56.490 56.287 0.016 0.000 1.022 89 K CB 0.690 33.200 32.500 0.017 0.000 0.894 89 K HN 0.538 nan 8.250 nan 0.000 0.540 90 S N 0.728 116.428 115.700 0.000 0.000 2.546 90 S HA 0.338 4.807 4.470 -0.001 0.000 0.272 90 S C -0.247 174.332 174.600 -0.034 0.000 1.140 90 S CA -0.894 57.292 58.200 -0.023 0.000 0.920 90 S CB 0.976 64.176 63.200 0.001 0.000 1.083 90 S HN 0.287 nan 8.310 nan 0.000 0.476 91 I N 0.212 120.713 120.570 -0.115 0.000 3.884 91 I HA 0.469 4.638 4.170 -0.001 0.000 0.330 91 I C -0.427 175.671 176.117 -0.032 0.000 1.451 91 I CA -0.593 60.619 61.300 -0.147 0.000 1.165 91 I CB -0.292 37.416 38.000 -0.486 0.000 1.097 91 I HN 0.300 nan 8.210 nan 0.000 0.404 92 D N 2.983 123.381 120.400 -0.004 0.000 2.533 92 D HA 0.259 4.898 4.640 -0.001 0.000 0.236 92 D C 1.371 177.690 176.300 0.032 0.000 1.137 92 D CA 1.824 55.820 54.000 -0.007 0.000 0.867 92 D CB 1.167 41.966 40.800 -0.003 0.000 1.170 92 D HN 0.581 nan 8.370 nan 0.000 0.474 93 G N 0.811 109.571 108.800 -0.067 0.000 2.279 93 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.223 93 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.223 93 G C 1.242 176.118 174.900 -0.041 0.000 1.015 93 G CA 0.103 45.065 45.100 -0.230 0.000 0.621 93 G HN 0.456 nan 8.290 nan 0.000 0.506 94 V N 3.336 123.353 119.914 0.171 0.000 2.759 94 V HA -0.106 4.013 4.120 -0.001 0.000 0.256 94 V C 2.781 178.910 176.094 0.058 0.000 1.080 94 V CA 2.556 65.008 62.300 0.254 0.000 1.101 94 V CB -0.121 31.793 31.823 0.152 0.000 0.698 94 V HN 0.792 nan 8.190 nan 0.000 0.477 95 E N -0.040 120.072 120.200 -0.147 0.000 2.209 95 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 95 E C 1.737 178.174 176.600 -0.273 0.000 0.993 95 E CA 1.685 57.922 56.400 -0.271 0.000 0.819 95 E CB -0.529 28.913 29.700 -0.430 0.000 0.745 95 E HN 0.689 nan 8.360 nan 0.000 0.477 96 Y N 0.877 121.172 120.300 -0.009 0.000 2.546 96 Y HA 0.209 4.758 4.550 -0.002 0.000 0.287 96 Y C 1.368 177.301 175.900 0.056 0.000 1.158 96 Y CA 0.208 58.307 58.100 -0.002 0.000 1.307 96 Y CB 0.039 38.460 38.460 -0.065 0.000 1.036 96 Y HN -0.085 nan 8.280 nan 0.000 0.532 97 L N 1.411 122.760 121.223 0.210 0.000 2.536 97 L HA 0.124 4.463 4.340 -0.001 0.000 0.242 97 L C 0.769 177.708 176.870 0.114 0.000 1.280 97 L CA -0.147 54.804 54.840 0.185 0.000 1.221 97 L CB -0.225 41.969 42.059 0.225 0.000 1.449 97 L HN 0.255 nan 8.230 nan 0.000 0.405 98 N N 0.864 119.622 118.700 0.095 0.000 2.364 98 N HA -0.118 4.621 4.740 -0.001 0.000 0.183 98 N C 0.888 176.429 175.510 0.052 0.000 1.022 98 N CA 0.979 54.065 53.050 0.060 0.000 0.883 98 N CB 0.155 38.675 38.487 0.055 0.000 0.965 98 N HN 0.508 nan 8.380 nan 0.000 0.438 99 N N 0.722 119.457 118.700 0.059 0.000 2.268 99 N HA 0.113 4.852 4.740 -0.001 0.000 0.204 99 N C -0.003 175.535 175.510 0.047 0.000 1.124 99 N CA -0.042 53.036 53.050 0.047 0.000 0.838 99 N CB 0.455 38.968 38.487 0.043 0.000 0.994 99 N HN 0.232 nan 8.380 nan 0.000 0.489 100 L N 1.214 122.471 121.223 0.058 0.000 2.513 100 L HA 0.001 4.340 4.340 -0.001 0.000 0.272 100 L C 1.741 178.638 176.870 0.045 0.000 1.187 100 L CA 0.263 55.138 54.840 0.058 0.000 0.895 100 L CB 0.604 42.712 42.059 0.082 0.000 1.147 100 L HN 0.171 nan 8.230 nan 0.000 0.483 101 T N -0.786 113.790 114.554 0.036 0.000 2.990 101 T HA 0.174 4.523 4.350 -0.001 0.000 0.249 101 T C 0.514 175.232 174.700 0.030 0.000 1.039 101 T CA -0.119 61.999 62.100 0.030 0.000 1.036 101 T CB 0.440 69.321 68.868 0.023 0.000 0.994 101 T HN 0.500 nan 8.240 nan 0.000 0.489 102 Q N 1.127 120.945 119.800 0.029 0.000 2.263 102 Q HA 0.678 5.017 4.340 -0.001 0.000 0.266 102 Q C -1.147 174.864 176.000 0.019 0.000 1.002 102 Q CA -0.547 55.269 55.803 0.022 0.000 0.790 102 Q CB 2.631 31.374 28.738 0.008 0.000 1.272 102 Q HN 0.687 nan 8.270 nan 0.000 0.435 103 I N -1.294 119.298 120.570 0.037 0.000 2.689 103 I HA 0.785 4.954 4.170 -0.001 0.000 0.299 103 I C -0.916 175.193 176.117 -0.013 0.000 1.059 103 I CA -0.940 60.379 61.300 0.031 0.000 1.055 103 I CB 2.355 40.483 38.000 0.213 0.000 1.243 103 I HN 0.354 nan 8.210 nan 0.000 0.425 104 N N 4.235 122.833 118.700 -0.170 0.000 2.576 104 N HA 0.418 5.157 4.740 -0.001 0.000 0.269 104 N C -1.510 173.778 175.510 -0.370 0.000 1.058 104 N CA -0.561 52.388 53.050 -0.168 0.000 0.860 104 N CB 0.906 39.303 38.487 -0.150 0.000 1.249 104 N HN 0.693 nan 8.380 nan 0.000 0.525 105 F N 0.780 120.708 119.950 -0.037 0.000 2.791 105 F HA 0.227 4.754 4.527 -0.001 0.000 0.308 105 F C 1.193 176.963 175.800 -0.051 0.000 1.138 105 F CA -0.501 57.477 58.000 -0.037 0.000 1.294 105 F CB 0.137 39.120 39.000 -0.028 0.000 0.975 105 F HN 0.272 nan 8.300 nan 0.000 0.512 106 S N -0.542 115.183 115.700 0.041 0.000 2.579 106 S HA 0.129 4.598 4.470 -0.001 0.000 0.275 106 S C 0.440 175.040 174.600 0.001 0.000 1.345 106 S CA -0.368 57.822 58.200 -0.018 0.000 1.031 106 S CB 0.153 63.308 63.200 -0.074 0.000 0.892 106 S HN 0.554 nan 8.310 nan 0.000 0.529 107 N N 0.858 119.552 118.700 -0.009 0.000 2.727 107 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 107 N C -0.833 174.694 175.510 0.029 0.000 1.040 107 N CA 0.921 53.977 53.050 0.010 0.000 0.712 107 N CB -1.718 36.776 38.487 0.012 0.000 0.912 107 N HN 0.790 nan 8.380 nan 0.000 0.545 108 N N -0.423 118.302 118.700 0.042 0.000 3.294 108 N HA 0.506 5.245 4.740 -0.001 0.000 0.355 108 N C -0.682 174.850 175.510 0.036 0.000 1.497 108 N CA -0.700 52.384 53.050 0.056 0.000 0.707 108 N CB 0.583 39.139 38.487 0.114 0.000 1.732 108 N HN 0.039 nan 8.380 nan 0.000 0.640 109 Q N 0.825 120.644 119.800 0.033 0.000 2.628 109 Q HA 0.427 4.766 4.340 -0.001 0.000 0.397 109 Q C -1.250 174.753 176.000 0.006 0.000 0.916 109 Q CA -0.042 55.772 55.803 0.018 0.000 1.071 109 Q CB 0.481 29.230 28.738 0.017 0.000 1.367 109 Q HN 0.311 nan 8.270 nan 0.000 0.404 110 L N -0.431 120.791 121.223 -0.002 0.000 2.371 110 L HA 0.372 4.711 4.340 -0.001 0.000 0.272 110 L C 0.764 177.618 176.870 -0.027 0.000 1.124 110 L CA 0.107 54.930 54.840 -0.028 0.000 0.816 110 L CB 1.218 43.243 42.059 -0.057 0.000 1.129 110 L HN 0.352 nan 8.230 nan 0.000 0.448 111 T N -1.374 113.161 114.554 -0.032 0.000 3.138 111 T HA 0.026 4.376 4.350 -0.001 0.000 0.245 111 T C 0.152 174.831 174.700 -0.034 0.000 0.982 111 T CA -0.049 62.036 62.100 -0.026 0.000 1.134 111 T CB 0.247 69.105 68.868 -0.018 0.000 1.032 111 T HN 0.491 nan 8.240 nan 0.000 0.442 112 D N 2.224 122.598 120.400 -0.044 0.000 2.317 112 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 112 D C 0.321 176.574 176.300 -0.078 0.000 1.174 112 D CA -0.292 53.677 54.000 -0.053 0.000 0.866 112 D CB 0.627 41.399 40.800 -0.048 0.000 1.127 112 D HN 0.463 nan 8.370 nan 0.000 0.467 113 I N 0.503 121.028 120.570 -0.076 0.000 3.817 113 I HA 0.153 4.323 4.170 -0.001 0.000 0.325 113 I C 1.031 177.097 176.117 -0.086 0.000 1.550 113 I CA -0.531 60.710 61.300 -0.098 0.000 1.100 113 I CB 0.464 38.411 38.000 -0.088 0.000 1.216 113 I HN -0.002 nan 8.210 nan 0.000 0.481 114 T N 2.283 116.792 114.554 -0.075 0.000 2.737 114 T HA -0.065 4.285 4.350 -0.001 0.000 0.269 114 T C -0.581 174.068 174.700 -0.086 0.000 1.040 114 T CA 1.929 63.986 62.100 -0.070 0.000 1.142 114 T CB -1.190 67.641 68.868 -0.062 0.000 0.861 114 T HN 0.363 nan 8.240 nan 0.000 0.456 115 P HA 0.019 nan 4.420 nan 0.000 0.223 115 P C 1.131 178.368 177.300 -0.105 0.000 1.144 115 P CA 0.793 63.819 63.100 -0.122 0.000 0.783 115 P CB -0.279 31.345 31.700 -0.127 0.000 0.771 116 L N -1.318 119.853 121.223 -0.087 0.000 2.492 116 L HA -0.013 4.327 4.340 -0.001 0.000 0.223 116 L C 2.111 178.954 176.870 -0.046 0.000 1.132 116 L CA 0.706 55.511 54.840 -0.058 0.000 0.850 116 L CB -0.618 41.412 42.059 -0.048 0.000 0.966 116 L HN -0.008 nan 8.230 nan 0.000 0.454 117 K N 0.695 121.062 120.400 -0.055 0.000 2.077 117 K HA -0.200 4.119 4.320 -0.001 0.000 0.213 117 K C 1.048 177.626 176.600 -0.036 0.000 1.051 117 K CA 1.600 57.861 56.287 -0.044 0.000 0.929 117 K CB -0.125 32.345 32.500 -0.051 0.000 0.715 117 K HN 0.353 nan 8.250 nan 0.000 0.451 118 N N 0.349 119.023 118.700 -0.044 0.000 2.214 118 N HA 0.083 4.822 4.740 -0.001 0.000 0.214 118 N C -0.350 175.146 175.510 -0.023 0.000 1.132 118 N CA 0.137 53.166 53.050 -0.034 0.000 0.856 118 N CB 0.628 39.088 38.487 -0.045 0.000 1.020 118 N HN 0.092 nan 8.380 nan 0.000 0.509 119 L N 1.853 123.066 121.223 -0.018 0.000 2.423 119 L HA 0.134 4.473 4.340 -0.001 0.000 0.249 119 L C 1.379 178.253 176.870 0.007 0.000 1.276 119 L CA -0.051 54.789 54.840 0.000 0.000 1.199 119 L CB -0.340 41.726 42.059 0.011 0.000 1.407 119 L HN 0.062 nan 8.230 nan 0.000 0.410 120 T N -3.960 110.597 114.554 0.005 0.000 3.148 120 T HA -0.020 4.330 4.350 -0.001 0.000 0.253 120 T C 1.399 176.106 174.700 0.012 0.000 1.134 120 T CA 0.229 62.333 62.100 0.006 0.000 1.051 120 T CB -0.031 68.839 68.868 0.003 0.000 0.959 120 T HN 0.367 nan 8.240 nan 0.000 0.525 121 K N 0.613 121.022 120.400 0.016 0.000 2.459 121 K HA 0.272 4.592 4.320 -0.001 0.000 0.193 121 K C 0.309 176.922 176.600 0.023 0.000 1.030 121 K CA -0.102 56.197 56.287 0.019 0.000 1.026 121 K CB -0.114 32.400 32.500 0.022 0.000 0.809 121 K HN 0.406 nan 8.250 nan 0.000 0.504 122 L N 1.364 122.602 121.223 0.024 0.000 2.499 122 L HA -0.061 4.279 4.340 -0.001 0.000 0.273 122 L C 1.119 178.004 176.870 0.025 0.000 1.195 122 L CA -0.107 54.750 54.840 0.029 0.000 0.882 122 L CB 0.866 42.945 42.059 0.033 0.000 1.133 122 L HN -0.088 nan 8.230 nan 0.000 0.483 123 V N 1.380 121.309 119.914 0.025 0.000 3.572 123 V HA 0.139 4.259 4.120 -0.001 0.000 0.260 123 V C -0.179 175.930 176.094 0.025 0.000 1.324 123 V CA 0.369 62.682 62.300 0.022 0.000 1.068 123 V CB 0.746 32.581 31.823 0.020 0.000 0.837 123 V HN 0.823 nan 8.190 nan 0.000 0.450 124 D N -0.530 119.887 120.400 0.028 0.000 2.970 124 D HA 0.533 5.172 4.640 -0.001 0.000 0.230 124 D C -1.232 175.089 176.300 0.035 0.000 1.276 124 D CA -0.217 53.800 54.000 0.029 0.000 0.910 124 D CB 1.735 42.550 40.800 0.024 0.000 1.590 124 D HN 0.064 nan 8.370 nan 0.000 0.551 125 I N 4.014 124.606 120.570 0.037 0.000 2.436 125 I HA 0.352 4.521 4.170 -0.001 0.000 0.289 125 I C -0.768 175.367 176.117 0.030 0.000 1.010 125 I CA -0.782 60.545 61.300 0.046 0.000 1.098 125 I CB 1.630 39.658 38.000 0.047 0.000 1.266 125 I HN 0.257 nan 8.210 nan 0.000 0.434 126 L N 7.164 128.402 121.223 0.026 0.000 2.294 126 L HA 0.531 4.870 4.340 -0.001 0.000 0.283 126 L C 0.052 176.918 176.870 -0.005 0.000 1.015 126 L CA -0.076 54.758 54.840 -0.010 0.000 0.831 126 L CB 1.492 43.540 42.059 -0.019 0.000 1.217 126 L HN 0.723 nan 8.230 nan 0.000 0.420 127 M N 3.314 122.878 119.600 -0.061 0.000 3.340 127 M HA 0.120 4.599 4.480 -0.001 0.000 0.471 127 M C -0.176 176.030 176.300 -0.156 0.000 1.550 127 M CA -0.324 54.952 55.300 -0.042 0.000 0.754 127 M CB 0.434 33.039 32.600 0.008 0.000 1.485 127 M HN 0.641 nan 8.290 nan 0.000 0.530 128 N N 0.209 118.699 118.700 -0.350 0.000 2.340 128 N HA 0.013 4.752 4.740 -0.001 0.000 0.236 128 N C -0.599 174.734 175.510 -0.294 0.000 1.296 128 N CA 0.407 53.104 53.050 -0.587 0.000 0.896 128 N CB 0.055 37.593 38.487 -1.582 0.000 1.127 128 N HN 0.341 nan 8.380 nan 0.000 0.442 129 N N -0.835 117.751 118.700 -0.191 0.000 2.726 129 N HA -0.148 4.591 4.740 -0.001 0.000 0.253 129 N C -1.273 174.220 175.510 -0.029 0.000 1.059 129 N CA 0.643 53.662 53.050 -0.053 0.000 0.701 129 N CB -0.883 37.593 38.487 -0.019 0.000 0.899 129 N HN 0.605 nan 8.380 nan 0.000 0.548 130 N N 0.048 118.731 118.700 -0.027 0.000 3.455 130 N HA 0.370 5.110 4.740 -0.001 0.000 0.358 130 N C -0.380 175.129 175.510 -0.002 0.000 1.580 130 N CA -0.445 52.600 53.050 -0.009 0.000 0.692 130 N CB 0.567 39.047 38.487 -0.013 0.000 1.978 130 N HN 0.182 nan 8.380 nan 0.000 0.651 131 Q N 0.751 120.549 119.800 -0.004 0.000 2.318 131 Q HA 0.468 4.807 4.340 -0.001 0.000 0.371 131 Q C -0.789 175.208 176.000 -0.005 0.000 0.896 131 Q CA -0.099 55.704 55.803 0.000 0.000 1.134 131 Q CB 0.481 29.220 28.738 0.002 0.000 1.329 131 Q HN 0.406 nan 8.270 nan 0.000 0.413 132 I N 0.360 120.924 120.570 -0.009 0.000 2.416 132 I HA 0.202 4.372 4.170 -0.001 0.000 0.288 132 I C 0.848 176.961 176.117 -0.005 0.000 1.051 132 I CA -0.041 61.251 61.300 -0.014 0.000 1.375 132 I CB 1.420 39.407 38.000 -0.021 0.000 1.407 132 I HN 0.324 nan 8.210 nan 0.000 0.516 133 A N 4.042 126.858 122.820 -0.007 0.000 1.999 133 A HA 0.094 4.413 4.320 -0.001 0.000 0.200 133 A C 0.617 178.197 177.584 -0.006 0.000 1.363 133 A CA 0.237 52.272 52.037 -0.003 0.000 0.844 133 A CB 0.176 19.174 19.000 -0.002 0.000 0.954 133 A HN 0.634 nan 8.150 nan 0.000 0.481 134 D N 0.767 121.161 120.400 -0.012 0.000 2.373 134 D HA 0.381 5.021 4.640 -0.001 0.000 0.227 134 D C 0.472 176.762 176.300 -0.017 0.000 1.091 134 D CA -0.418 53.574 54.000 -0.014 0.000 0.840 134 D CB 0.613 41.403 40.800 -0.017 0.000 1.060 134 D HN 0.430 nan 8.370 nan 0.000 0.502 135 I N 0.623 121.185 120.570 -0.014 0.000 3.914 135 I HA 0.159 4.328 4.170 -0.001 0.000 0.333 135 I C 1.035 177.143 176.117 -0.016 0.000 1.449 135 I CA -0.469 60.822 61.300 -0.015 0.000 1.135 135 I CB 0.175 38.171 38.000 -0.008 0.000 1.073 135 I HN 0.028 nan 8.210 nan 0.000 0.401 136 T N 2.442 116.985 114.554 -0.017 0.000 2.685 136 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 136 T C -0.472 174.216 174.700 -0.020 0.000 1.034 136 T CA 1.976 64.066 62.100 -0.018 0.000 1.149 136 T CB -1.326 67.531 68.868 -0.018 0.000 0.860 136 T HN 0.390 nan 8.240 nan 0.000 0.449 137 P HA 0.035 nan 4.420 nan 0.000 0.226 137 P C 1.019 178.304 177.300 -0.024 0.000 1.146 137 P CA 0.778 63.860 63.100 -0.030 0.000 0.773 137 P CB -0.319 31.357 31.700 -0.040 0.000 0.772 138 L N -2.106 119.106 121.223 -0.018 0.000 2.591 138 L HA 0.142 4.481 4.340 -0.001 0.000 0.228 138 L C 2.227 179.092 176.870 -0.008 0.000 1.133 138 L CA 0.325 55.158 54.840 -0.011 0.000 0.880 138 L CB -0.795 41.261 42.059 -0.006 0.000 1.033 138 L HN -0.057 nan 8.230 nan 0.000 0.450 139 A N 0.428 123.242 122.820 -0.011 0.000 1.972 139 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 139 A C 1.996 179.576 177.584 -0.007 0.000 1.169 139 A CA 1.706 53.737 52.037 -0.009 0.000 0.635 139 A CB -0.494 18.500 19.000 -0.011 0.000 0.810 139 A HN 0.533 nan 8.150 nan 0.000 0.446 140 N N -0.275 118.420 118.700 -0.008 0.000 2.230 140 N HA 0.153 4.892 4.740 -0.001 0.000 0.202 140 N C -0.294 175.214 175.510 -0.003 0.000 1.119 140 N CA -0.169 52.878 53.050 -0.006 0.000 0.851 140 N CB 0.100 38.582 38.487 -0.009 0.000 0.990 140 N HN 0.382 nan 8.380 nan 0.000 0.497 141 L N 2.195 123.417 121.223 -0.002 0.000 2.437 141 L HA 0.131 4.470 4.340 -0.001 0.000 0.243 141 L C 1.486 178.360 176.870 0.006 0.000 1.346 141 L CA -0.124 54.717 54.840 0.003 0.000 1.233 141 L CB -0.117 41.945 42.059 0.004 0.000 1.436 141 L HN 0.138 nan 8.230 nan 0.000 0.416 142 T N -4.396 110.161 114.554 0.005 0.000 3.118 142 T HA -0.027 4.322 4.350 -0.001 0.000 0.260 142 T C 1.331 176.036 174.700 0.009 0.000 1.139 142 T CA 0.222 62.326 62.100 0.006 0.000 1.085 142 T CB -0.093 68.777 68.868 0.004 0.000 0.934 142 T HN 0.344 nan 8.240 nan 0.000 0.518 143 N N 1.065 119.770 118.700 0.010 0.000 2.461 143 N HA 0.190 4.929 4.740 -0.001 0.000 0.188 143 N C 0.156 175.675 175.510 0.015 0.000 1.134 143 N CA 0.034 53.092 53.050 0.012 0.000 0.878 143 N CB -0.134 38.360 38.487 0.012 0.000 0.972 143 N HN 0.482 nan 8.380 nan 0.000 0.456 144 L N 1.292 122.525 121.223 0.016 0.000 2.513 144 L HA 0.008 4.348 4.340 -0.001 0.000 0.272 144 L C 1.661 178.543 176.870 0.020 0.000 1.187 144 L CA 0.170 55.021 54.840 0.019 0.000 0.895 144 L CB 0.610 42.681 42.059 0.020 0.000 1.147 144 L HN 0.137 nan 8.230 nan 0.000 0.483 145 T N -1.659 112.908 114.554 0.022 0.000 2.990 145 T HA 0.226 4.575 4.350 -0.001 0.000 0.250 145 T C 0.625 175.343 174.700 0.029 0.000 1.041 145 T CA 0.222 62.336 62.100 0.023 0.000 1.010 145 T CB 0.516 69.397 68.868 0.021 0.000 1.003 145 T HN 0.608 nan 8.240 nan 0.000 0.499 146 G N 1.252 110.070 108.800 0.031 0.000 2.707 146 G HA2 0.624 4.583 3.960 -0.001 0.000 0.299 146 G HA3 0.624 4.583 3.960 -0.001 0.000 0.299 146 G C -2.062 172.861 174.900 0.039 0.000 1.442 146 G CA -0.661 44.461 45.100 0.037 0.000 1.009 146 G HN 0.329 nan 8.290 nan 0.000 0.515 147 L N 1.738 122.990 121.223 0.047 0.000 2.482 147 L HA 0.730 5.069 4.340 -0.001 0.000 0.269 147 L C -0.573 176.331 176.870 0.057 0.000 0.967 147 L CA -0.288 54.579 54.840 0.044 0.000 0.851 147 L CB 2.298 44.380 42.059 0.039 0.000 1.242 147 L HN 0.395 nan 8.230 nan 0.000 0.404 148 T N 6.721 121.297 114.554 0.036 0.000 2.809 148 T HA 0.547 4.896 4.350 -0.001 0.000 0.296 148 T C 0.455 175.110 174.700 -0.075 0.000 1.015 148 T CA -0.080 62.037 62.100 0.029 0.000 0.954 148 T CB 0.758 69.639 68.868 0.021 0.000 0.950 148 T HN 0.569 nan 8.240 nan 0.000 0.450 149 L N 3.151 124.350 121.223 -0.041 0.000 3.429 149 L HA 0.365 4.705 4.340 -0.001 0.000 0.311 149 L C 0.064 176.918 176.870 -0.027 0.000 1.274 149 L CA -0.619 54.182 54.840 -0.065 0.000 1.037 149 L CB 0.144 42.208 42.059 0.007 0.000 1.433 149 L HN 0.607 nan 8.230 nan 0.000 0.614 150 F N -1.035 118.938 119.950 0.038 0.000 2.485 150 F HA 0.296 4.822 4.527 -0.001 0.000 0.327 150 F C 1.005 176.823 175.800 0.031 0.000 1.203 150 F CA -0.753 57.268 58.000 0.035 0.000 1.295 150 F CB -0.021 38.996 39.000 0.028 0.000 1.191 150 F HN 0.037 nan 8.300 nan 0.000 0.588 151 N N 1.762 120.640 118.700 0.297 0.000 2.708 151 N HA -0.245 4.495 4.740 -0.001 0.000 0.255 151 N C -1.075 174.471 175.510 0.059 0.000 1.046 151 N CA 0.677 53.828 53.050 0.169 0.000 0.715 151 N CB -1.112 37.502 38.487 0.212 0.000 0.895 151 N HN 0.741 nan 8.380 nan 0.000 0.545 152 N N 0.155 118.889 118.700 0.056 0.000 3.379 152 N HA 0.318 5.057 4.740 -0.001 0.000 0.350 152 N C 0.023 175.554 175.510 0.035 0.000 1.553 152 N CA -0.401 52.665 53.050 0.027 0.000 0.712 152 N CB 0.578 39.069 38.487 0.007 0.000 1.880 152 N HN 0.130 nan 8.380 nan 0.000 0.648 153 Q N 0.795 120.609 119.800 0.023 0.000 2.233 153 Q HA 0.441 4.781 4.340 -0.001 0.000 0.340 153 Q C -0.583 175.429 176.000 0.020 0.000 0.899 153 Q CA -0.082 55.734 55.803 0.022 0.000 1.139 153 Q CB 0.527 29.274 28.738 0.015 0.000 1.273 153 Q HN 0.414 nan 8.270 nan 0.000 0.431 154 I N 0.222 120.809 120.570 0.027 0.000 2.371 154 I HA 0.095 4.265 4.170 -0.001 0.000 0.290 154 I C 0.903 177.035 176.117 0.024 0.000 1.028 154 I CA 0.230 61.543 61.300 0.023 0.000 1.345 154 I CB 1.575 39.591 38.000 0.027 0.000 1.407 154 I HN 0.107 nan 8.210 nan 0.000 0.501 155 T N 1.874 116.436 114.554 0.014 0.000 3.085 155 T HA 0.012 4.361 4.350 -0.001 0.000 0.241 155 T C 0.164 174.864 174.700 0.000 0.000 0.988 155 T CA 0.150 62.256 62.100 0.010 0.000 1.117 155 T CB 0.038 68.910 68.868 0.007 0.000 0.978 155 T HN 0.623 nan 8.240 nan 0.000 0.454 156 D N 2.258 122.656 120.400 -0.003 0.000 2.347 156 D HA 0.195 4.834 4.640 -0.001 0.000 0.235 156 D C 0.747 177.041 176.300 -0.011 0.000 1.149 156 D CA -0.542 53.452 54.000 -0.010 0.000 0.850 156 D CB 0.273 41.067 40.800 -0.010 0.000 1.061 156 D HN 0.459 nan 8.370 nan 0.000 0.487 157 I N -0.148 120.411 120.570 -0.019 0.000 3.904 157 I HA 0.272 4.442 4.170 -0.001 0.000 0.333 157 I C 0.535 176.638 176.117 -0.024 0.000 1.361 157 I CA -0.428 60.860 61.300 -0.020 0.000 1.116 157 I CB 0.326 38.311 38.000 -0.026 0.000 1.028 157 I HN 0.064 nan 8.210 nan 0.000 0.398 158 D N 3.231 123.617 120.400 -0.023 0.000 2.190 158 D HA -0.119 4.521 4.640 -0.001 0.000 0.200 158 D C -0.447 175.843 176.300 -0.017 0.000 0.992 158 D CA 1.499 55.486 54.000 -0.022 0.000 0.854 158 D CB -1.334 39.454 40.800 -0.020 0.000 0.936 158 D HN 0.373 nan 8.370 nan 0.000 0.462 159 P HA -0.043 nan 4.420 nan 0.000 0.228 159 P C 1.281 178.576 177.300 -0.008 0.000 1.151 159 P CA 0.635 63.728 63.100 -0.011 0.000 0.770 159 P CB -0.049 31.645 31.700 -0.011 0.000 0.786 160 L N -0.367 120.851 121.223 -0.008 0.000 2.558 160 L HA 0.044 4.383 4.340 -0.001 0.000 0.225 160 L C 2.255 179.122 176.870 -0.006 0.000 1.128 160 L CA 0.471 55.309 54.840 -0.004 0.000 0.868 160 L CB -0.636 41.422 42.059 -0.001 0.000 1.006 160 L HN 0.107 nan 8.230 nan 0.000 0.454 161 K N -0.505 119.888 120.400 -0.010 0.000 2.209 161 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 161 K C 0.895 177.491 176.600 -0.007 0.000 1.048 161 K CA 1.226 57.506 56.287 -0.012 0.000 0.940 161 K CB -0.130 32.360 32.500 -0.015 0.000 0.729 161 K HN 0.230 nan 8.250 nan 0.000 0.451 162 N N 0.963 119.660 118.700 -0.005 0.000 2.268 162 N HA 0.117 4.857 4.740 -0.001 0.000 0.204 162 N C -0.260 175.250 175.510 0.001 0.000 1.124 162 N CA 0.181 53.229 53.050 -0.002 0.000 0.838 162 N CB 0.477 38.962 38.487 -0.003 0.000 0.994 162 N HN 0.211 nan 8.380 nan 0.000 0.489 163 L N 1.486 122.710 121.223 0.003 0.000 2.648 163 L HA 0.174 4.513 4.340 -0.001 0.000 0.238 163 L C 1.289 178.165 176.870 0.010 0.000 1.316 163 L CA -0.101 54.743 54.840 0.007 0.000 1.241 163 L CB -0.445 41.620 42.059 0.010 0.000 1.499 163 L HN 0.034 nan 8.230 nan 0.000 0.411 164 T N -4.612 109.946 114.554 0.008 0.000 3.148 164 T HA 0.000 4.350 4.350 -0.001 0.000 0.253 164 T C 1.262 175.969 174.700 0.011 0.000 1.134 164 T CA 0.137 62.242 62.100 0.009 0.000 1.051 164 T CB -0.107 68.764 68.868 0.006 0.000 0.959 164 T HN 0.312 nan 8.240 nan 0.000 0.525 165 N N 1.066 119.773 118.700 0.012 0.000 2.398 165 N HA 0.217 4.957 4.740 -0.001 0.000 0.188 165 N C 0.205 175.726 175.510 0.018 0.000 1.122 165 N CA -0.024 53.034 53.050 0.014 0.000 0.866 165 N CB -0.146 38.349 38.487 0.013 0.000 0.970 165 N HN 0.470 nan 8.380 nan 0.000 0.462 166 L N 1.301 122.536 121.223 0.020 0.000 2.513 166 L HA -0.009 4.330 4.340 -0.001 0.000 0.272 166 L C 0.993 177.880 176.870 0.028 0.000 1.187 166 L CA 0.319 55.174 54.840 0.026 0.000 0.895 166 L CB 0.254 42.331 42.059 0.030 0.000 1.147 166 L HN 0.134 nan 8.230 nan 0.000 0.483 167 N N 2.013 120.730 118.700 0.029 0.000 2.414 167 N HA 0.105 4.845 4.740 -0.001 0.000 0.177 167 N C 0.188 175.720 175.510 0.037 0.000 1.062 167 N CA -0.126 52.942 53.050 0.030 0.000 0.890 167 N CB 0.497 38.999 38.487 0.025 0.000 1.070 167 N HN 0.445 nan 8.380 nan 0.000 0.454 168 R N 1.238 121.763 120.500 0.042 0.000 2.502 168 R HA 0.449 4.789 4.340 -0.001 0.000 0.300 168 R C -2.105 174.233 176.300 0.064 0.000 0.984 168 R CA -0.608 55.523 56.100 0.052 0.000 0.882 168 R CB 1.137 31.468 30.300 0.051 0.000 1.180 168 R HN -0.045 nan 8.270 nan 0.000 0.444 169 L N 3.362 124.633 121.223 0.079 0.000 2.441 169 L HA 0.443 4.783 4.340 -0.001 0.000 0.270 169 L C -1.475 175.471 176.870 0.126 0.000 0.973 169 L CA -0.097 54.801 54.840 0.096 0.000 0.842 169 L CB 2.075 44.188 42.059 0.091 0.000 1.239 169 L HN 0.672 nan 8.230 nan 0.000 0.406 170 E N 6.087 126.379 120.200 0.153 0.000 2.186 170 E HA 0.409 4.758 4.350 -0.001 0.000 0.255 170 E C -0.328 176.423 176.600 0.251 0.000 0.881 170 E CA -0.123 56.404 56.400 0.212 0.000 0.752 170 E CB 1.506 31.393 29.700 0.311 0.000 1.176 170 E HN 0.644 nan 8.360 nan 0.000 0.421 171 L N 1.527 122.886 121.223 0.227 0.000 3.229 171 L HA 0.223 4.562 4.340 -0.001 0.000 0.286 171 L C 0.211 177.210 176.870 0.215 0.000 1.239 171 L CA -0.083 54.890 54.840 0.221 0.000 1.035 171 L CB 0.933 43.118 42.059 0.210 0.000 1.408 171 L HN 0.286 nan 8.230 nan 0.000 0.593 172 S N -0.110 115.698 115.700 0.179 0.000 2.576 172 S HA 0.069 4.538 4.470 -0.001 0.000 0.272 172 S C 1.005 175.690 174.600 0.142 0.000 1.352 172 S CA 0.023 58.279 58.200 0.094 0.000 1.021 172 S CB 0.715 63.889 63.200 -0.043 0.000 0.887 172 S HN 0.394 nan 8.310 nan 0.000 0.542 173 S N 1.577 117.330 115.700 0.089 0.000 3.628 173 S HA -0.133 4.336 4.470 -0.001 0.000 0.373 173 S C 0.029 174.693 174.600 0.108 0.000 0.968 173 S CA 0.383 58.638 58.200 0.093 0.000 1.215 173 S CB -1.444 61.817 63.200 0.102 0.000 0.912 173 S HN 0.692 nan 8.310 nan 0.000 0.495 174 N N 0.331 119.091 118.700 0.101 0.000 3.100 174 N HA 0.551 5.291 4.740 -0.001 0.000 0.344 174 N C 0.464 176.015 175.510 0.069 0.000 1.413 174 N CA -0.032 53.069 53.050 0.084 0.000 0.752 174 N CB 1.141 39.683 38.487 0.092 0.000 1.519 174 N HN 0.348 nan 8.380 nan 0.000 0.620 175 T N -1.423 113.164 114.554 0.055 0.000 3.374 175 T HA 0.484 4.833 4.350 -0.001 0.000 0.267 175 T C 0.433 175.157 174.700 0.041 0.000 0.996 175 T CA -0.309 61.818 62.100 0.045 0.000 0.977 175 T CB -1.002 67.885 68.868 0.031 0.000 1.149 175 T HN 0.267 nan 8.240 nan 0.000 0.517 176 I N 2.522 123.125 120.570 0.055 0.000 2.496 176 I HA 0.202 4.371 4.170 -0.001 0.000 0.285 176 I C 1.363 177.499 176.117 0.032 0.000 1.080 176 I CA -0.280 61.042 61.300 0.035 0.000 1.404 176 I CB 1.295 39.320 38.000 0.041 0.000 1.403 176 I HN 0.462 nan 8.210 nan 0.000 0.539 177 S N 1.991 117.693 115.700 0.004 0.000 2.549 177 S HA 0.119 4.589 4.470 -0.001 0.000 0.225 177 S C 0.185 174.767 174.600 -0.030 0.000 1.039 177 S CA -0.340 57.861 58.200 0.001 0.000 0.942 177 S CB 0.275 63.478 63.200 0.005 0.000 0.881 177 S HN 0.668 nan 8.310 nan 0.000 0.503 178 D N 1.902 122.268 120.400 -0.056 0.000 2.462 178 D HA 0.353 4.993 4.640 -0.001 0.000 0.245 178 D C 0.286 176.507 176.300 -0.131 0.000 1.122 178 D CA -0.743 53.211 54.000 -0.077 0.000 0.864 178 D CB 1.191 41.961 40.800 -0.050 0.000 1.098 178 D HN 0.417 nan 8.370 nan 0.000 0.541 179 I N 1.178 121.632 120.570 -0.194 0.000 3.884 179 I HA 0.167 4.336 4.170 -0.001 0.000 0.330 179 I C 1.406 177.420 176.117 -0.172 0.000 1.451 179 I CA -0.367 60.771 61.300 -0.271 0.000 1.165 179 I CB 0.058 37.725 38.000 -0.555 0.000 1.097 179 I HN 0.156 nan 8.210 nan 0.000 0.404 180 S N 1.841 117.475 115.700 -0.110 0.000 2.402 180 S HA -0.203 4.267 4.470 -0.001 0.000 0.233 180 S C 2.120 176.681 174.600 -0.065 0.000 1.030 180 S CA 1.098 59.254 58.200 -0.074 0.000 1.003 180 S CB -0.563 62.606 63.200 -0.051 0.000 0.813 180 S HN 0.624 nan 8.310 nan 0.000 0.477 181 A N 1.504 124.283 122.820 -0.069 0.000 2.125 181 A HA 0.227 4.546 4.320 -0.001 0.000 0.219 181 A C 2.123 179.678 177.584 -0.049 0.000 1.156 181 A CA 1.000 53.007 52.037 -0.051 0.000 0.671 181 A CB -0.723 18.250 19.000 -0.046 0.000 0.794 181 A HN 0.603 nan 8.150 nan 0.000 0.459 182 L N -0.377 120.803 121.223 -0.071 0.000 2.554 182 L HA -0.040 4.299 4.340 -0.001 0.000 0.226 182 L C 2.647 179.498 176.870 -0.032 0.000 1.137 182 L CA 0.889 55.697 54.840 -0.054 0.000 0.863 182 L CB -0.353 41.652 42.059 -0.091 0.000 0.985 182 L HN 0.541 nan 8.230 nan 0.000 0.451 183 S N 0.854 116.533 115.700 -0.035 0.000 2.400 183 S HA -0.146 4.323 4.470 -0.001 0.000 0.232 183 S C 1.774 176.368 174.600 -0.010 0.000 1.025 183 S CA 1.548 59.735 58.200 -0.021 0.000 0.993 183 S CB -0.280 62.906 63.200 -0.023 0.000 0.808 183 S HN 0.483 nan 8.310 nan 0.000 0.478 184 G N 0.380 109.174 108.800 -0.009 0.000 3.189 184 G HA2 0.341 4.301 3.960 -0.001 0.000 0.225 184 G HA3 0.341 4.301 3.960 -0.001 0.000 0.225 184 G C 0.380 175.281 174.900 0.002 0.000 1.159 184 G CA -0.386 44.712 45.100 -0.003 0.000 0.763 184 G HN 0.514 nan 8.290 nan 0.000 0.549 185 L N 2.711 123.936 121.223 0.004 0.000 2.536 185 L HA 0.164 4.503 4.340 -0.001 0.000 0.242 185 L C 1.682 178.562 176.870 0.016 0.000 1.280 185 L CA -0.185 54.662 54.840 0.012 0.000 1.221 185 L CB -0.109 41.959 42.059 0.016 0.000 1.449 185 L HN 0.168 nan 8.230 nan 0.000 0.405 186 T N -5.357 109.204 114.554 0.013 0.000 3.148 186 T HA -0.006 4.343 4.350 -0.001 0.000 0.253 186 T C 1.356 176.066 174.700 0.016 0.000 1.134 186 T CA 0.158 62.267 62.100 0.014 0.000 1.051 186 T CB 0.125 68.999 68.868 0.010 0.000 0.959 186 T HN 0.320 nan 8.240 nan 0.000 0.525 187 S N 0.571 116.281 115.700 0.017 0.000 2.557 187 S HA 0.385 4.854 4.470 -0.001 0.000 0.223 187 S C 0.502 175.115 174.600 0.022 0.000 0.969 187 S CA -0.501 57.709 58.200 0.018 0.000 0.927 187 S CB -0.194 63.016 63.200 0.016 0.000 0.806 187 S HN 0.482 nan 8.310 nan 0.000 0.489 188 L N 2.116 123.356 121.223 0.027 0.000 2.499 188 L HA 0.101 4.441 4.340 -0.001 0.000 0.273 188 L C 1.509 178.398 176.870 0.032 0.000 1.195 188 L CA 0.251 55.111 54.840 0.034 0.000 0.882 188 L CB 0.589 42.676 42.059 0.046 0.000 1.133 188 L HN 0.262 nan 8.230 nan 0.000 0.483 189 Q N 2.154 121.972 119.800 0.031 0.000 2.423 189 Q HA 0.153 4.492 4.340 -0.001 0.000 0.231 189 Q C -0.229 175.787 176.000 0.027 0.000 0.894 189 Q CA 0.313 56.131 55.803 0.025 0.000 0.938 189 Q CB 0.749 29.500 28.738 0.021 0.000 1.079 189 Q HN 0.666 nan 8.270 nan 0.000 0.552 190 Q N 0.579 120.398 119.800 0.031 0.000 2.372 190 Q HA 0.589 4.929 4.340 -0.001 0.000 0.273 190 Q C -1.952 174.077 176.000 0.048 0.000 1.078 190 Q CA -0.711 55.111 55.803 0.030 0.000 0.806 190 Q CB 2.804 31.558 28.738 0.027 0.000 1.332 190 Q HN 0.150 nan 8.270 nan 0.000 0.435 191 L N 1.110 122.360 121.223 0.045 0.000 2.545 191 L HA 0.696 5.036 4.340 -0.001 0.000 0.258 191 L C -1.701 175.183 176.870 0.024 0.000 0.942 191 L CA 0.011 54.900 54.840 0.081 0.000 0.855 191 L CB 2.528 44.670 42.059 0.137 0.000 1.374 191 L HN 0.781 nan 8.230 nan 0.000 0.411 192 S N 2.546 118.273 115.700 0.045 0.000 2.556 192 S HA 0.965 5.434 4.470 -0.001 0.000 0.271 192 S C -0.986 173.639 174.600 0.042 0.000 1.135 192 S CA -0.569 57.569 58.200 -0.102 0.000 0.858 192 S CB 1.859 64.999 63.200 -0.100 0.000 1.114 192 S HN 1.128 nan 8.310 nan 0.000 0.468 193 F N -1.863 118.098 119.950 0.020 0.000 2.741 193 F HA 0.973 5.499 4.527 -0.001 0.000 0.311 193 F C -0.292 175.520 175.800 0.020 0.000 1.149 193 F CA -0.249 57.769 58.000 0.029 0.000 0.930 193 F CB 1.028 40.044 39.000 0.026 0.000 1.312 193 F HN 1.145 nan 8.300 nan 0.000 0.450 194 G N 0.641 109.619 108.800 0.298 0.000 2.451 194 G HA2 0.401 4.361 3.960 -0.001 0.000 0.292 194 G HA3 0.401 4.361 3.960 -0.001 0.000 0.292 194 G C -1.887 173.106 174.900 0.155 0.000 1.427 194 G CA -0.539 44.685 45.100 0.207 0.000 0.792 194 G HN 1.318 nan 8.290 nan 0.000 0.498 195 N N -1.532 117.233 118.700 0.108 0.000 2.305 195 N HA 0.135 4.874 4.740 -0.001 0.000 0.248 195 N C 0.448 176.003 175.510 0.075 0.000 1.290 195 N CA -0.173 52.928 53.050 0.085 0.000 0.873 195 N CB 1.354 39.872 38.487 0.052 0.000 1.261 195 N HN 0.447 nan 8.380 nan 0.000 0.504 196 Q N -0.152 119.699 119.800 0.084 0.000 2.149 196 Q HA 0.342 4.681 4.340 -0.001 0.000 0.221 196 Q C -0.627 175.411 176.000 0.064 0.000 0.807 196 Q CA -0.112 55.726 55.803 0.059 0.000 1.000 196 Q CB 1.596 30.358 28.738 0.041 0.000 1.157 196 Q HN 0.098 nan 8.270 nan 0.000 0.487 197 V N 1.547 121.525 119.914 0.106 0.000 2.572 197 V HA 0.020 4.139 4.120 -0.001 0.000 0.291 197 V C 1.315 177.461 176.094 0.087 0.000 1.039 197 V CA 1.215 63.577 62.300 0.104 0.000 1.055 197 V CB 1.121 33.066 31.823 0.202 0.000 0.969 197 V HN 0.473 nan 8.190 nan 0.000 0.482 198 T N -0.408 114.177 114.554 0.052 0.000 3.026 198 T HA 0.096 4.445 4.350 -0.001 0.000 0.245 198 T C 0.472 175.196 174.700 0.039 0.000 1.004 198 T CA 0.135 62.260 62.100 0.042 0.000 1.069 198 T CB 0.185 69.068 68.868 0.024 0.000 1.005 198 T HN 0.536 nan 8.240 nan 0.000 0.472 199 D N 1.037 121.452 120.400 0.025 0.000 2.412 199 D HA 0.332 4.972 4.640 -0.001 0.000 0.224 199 D C 0.660 176.968 176.300 0.013 0.000 1.093 199 D CA -0.671 53.337 54.000 0.014 0.000 0.850 199 D CB 0.688 41.486 40.800 -0.004 0.000 1.046 199 D HN 0.240 nan 8.370 nan 0.000 0.507 200 L N 3.335 124.582 121.223 0.039 0.000 2.591 200 L HA 0.114 4.453 4.340 -0.001 0.000 0.228 200 L C 2.068 178.955 176.870 0.028 0.000 1.133 200 L CA 0.049 54.923 54.840 0.057 0.000 0.880 200 L CB 0.015 42.133 42.059 0.098 0.000 1.033 200 L HN 0.308 nan 8.230 nan 0.000 0.450 201 K N 0.633 121.039 120.400 0.010 0.000 2.211 201 K HA -0.156 4.163 4.320 -0.001 0.000 0.204 201 K C -0.623 175.974 176.600 -0.005 0.000 1.047 201 K CA 1.123 57.413 56.287 0.005 0.000 0.935 201 K CB -0.892 31.609 32.500 0.000 0.000 0.728 201 K HN 0.275 nan 8.250 nan 0.000 0.452 202 P HA -0.123 nan 4.420 nan 0.000 0.226 202 P C 0.637 177.927 177.300 -0.018 0.000 1.146 202 P CA 0.987 64.067 63.100 -0.033 0.000 0.773 202 P CB 0.022 31.679 31.700 -0.071 0.000 0.772 203 L N -1.969 119.258 121.223 0.006 0.000 2.599 203 L HA 0.071 4.411 4.340 -0.001 0.000 0.230 203 L C 2.246 179.132 176.870 0.027 0.000 1.141 203 L CA 0.339 55.200 54.840 0.033 0.000 0.877 203 L CB -0.801 41.304 42.059 0.077 0.000 1.009 203 L HN -0.031 nan 8.230 nan 0.000 0.447 204 A N 1.110 123.940 122.820 0.016 0.000 1.940 204 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 204 A C 1.781 179.373 177.584 0.014 0.000 1.176 204 A CA 2.042 54.088 52.037 0.015 0.000 0.631 204 A CB -0.612 18.393 19.000 0.009 0.000 0.814 204 A HN 0.570 nan 8.150 nan 0.000 0.446 205 N N -0.514 118.193 118.700 0.011 0.000 2.270 205 N HA 0.243 4.983 4.740 -0.001 0.000 0.198 205 N C -0.192 175.326 175.510 0.014 0.000 1.117 205 N CA -0.145 52.911 53.050 0.010 0.000 0.845 205 N CB 0.233 38.724 38.487 0.006 0.000 0.980 205 N HN 0.354 nan 8.380 nan 0.000 0.486 206 L N 1.599 122.834 121.223 0.020 0.000 2.796 206 L HA 0.144 4.483 4.340 -0.001 0.000 0.235 206 L C 1.403 178.288 176.870 0.025 0.000 1.344 206 L CA -0.044 54.811 54.840 0.025 0.000 1.245 206 L CB -0.678 41.403 42.059 0.037 0.000 1.556 206 L HN 0.266 nan 8.230 nan 0.000 0.423 207 T N -5.458 109.107 114.554 0.018 0.000 3.072 207 T HA -0.114 4.235 4.350 -0.001 0.000 0.266 207 T C 1.528 176.238 174.700 0.016 0.000 1.127 207 T CA 0.882 62.992 62.100 0.016 0.000 1.107 207 T CB -0.227 68.648 68.868 0.012 0.000 0.910 207 T HN 0.296 nan 8.240 nan 0.000 0.513 208 T N 1.993 116.557 114.554 0.017 0.000 3.160 208 T HA 0.292 4.642 4.350 -0.001 0.000 0.257 208 T C 0.605 175.316 174.700 0.019 0.000 1.147 208 T CA -0.071 62.039 62.100 0.016 0.000 1.064 208 T CB -0.459 68.419 68.868 0.016 0.000 0.949 208 T HN 0.413 nan 8.240 nan 0.000 0.526 209 L N 2.024 123.260 121.223 0.022 0.000 2.534 209 L HA 0.068 4.407 4.340 -0.001 0.000 0.271 209 L C 1.330 178.209 176.870 0.016 0.000 1.178 209 L CA 0.362 55.217 54.840 0.024 0.000 0.907 209 L CB 0.552 42.630 42.059 0.032 0.000 1.164 209 L HN 0.230 nan 8.230 nan 0.000 0.482 210 E N 2.724 122.932 120.200 0.013 0.000 2.330 210 E HA 0.139 4.488 4.350 -0.001 0.000 0.200 210 E C -0.059 176.542 176.600 0.002 0.000 0.922 210 E CA 0.184 56.589 56.400 0.007 0.000 0.935 210 E CB 0.631 30.335 29.700 0.007 0.000 0.917 210 E HN 0.507 nan 8.360 nan 0.000 0.491 211 R N 0.951 121.452 120.500 0.002 0.000 2.513 211 R HA 0.491 4.830 4.340 -0.001 0.000 0.301 211 R C -1.568 174.724 176.300 -0.013 0.000 0.968 211 R CA -0.654 55.441 56.100 -0.009 0.000 0.872 211 R CB 2.070 32.364 30.300 -0.010 0.000 1.177 211 R HN -0.093 nan 8.270 nan 0.000 0.444 212 L N 2.033 123.238 121.223 -0.031 0.000 2.410 212 L HA 0.497 4.836 4.340 -0.001 0.000 0.270 212 L C -1.537 175.273 176.870 -0.101 0.000 0.983 212 L CA -0.313 54.495 54.840 -0.053 0.000 0.822 212 L CB 2.071 44.111 42.059 -0.032 0.000 1.285 212 L HN 0.539 nan 8.230 nan 0.000 0.409 213 D N 5.055 125.356 120.400 -0.165 0.000 2.505 213 D HA 0.331 4.971 4.640 -0.001 0.000 0.250 213 D C 0.049 176.131 176.300 -0.362 0.000 1.164 213 D CA -0.198 53.681 54.000 -0.202 0.000 0.870 213 D CB 1.258 41.958 40.800 -0.166 0.000 1.160 213 D HN 0.662 nan 8.370 nan 0.000 0.549 214 I N 0.376 120.739 120.570 -0.345 0.000 3.762 214 I HA 0.324 4.494 4.170 -0.001 0.000 0.333 214 I C 0.040 176.013 176.117 -0.239 0.000 1.566 214 I CA -0.592 60.436 61.300 -0.453 0.000 1.129 214 I CB 0.439 38.216 38.000 -0.372 0.000 1.218 214 I HN -0.064 nan 8.210 nan 0.000 0.456 215 S N 1.154 116.742 115.700 -0.187 0.000 2.558 215 S HA 0.036 4.505 4.470 -0.001 0.000 0.291 215 S C 0.929 175.477 174.600 -0.087 0.000 1.306 215 S CA 0.410 58.541 58.200 -0.115 0.000 1.056 215 S CB 0.367 63.505 63.200 -0.103 0.000 0.836 215 S HN 0.643 nan 8.310 nan 0.000 0.504 216 S N 2.046 117.715 115.700 -0.052 0.000 3.697 216 S HA -0.124 4.346 4.470 -0.001 0.000 0.388 216 S C 0.035 174.633 174.600 -0.003 0.000 0.941 216 S CA 0.265 58.450 58.200 -0.025 0.000 1.247 216 S CB -1.281 61.905 63.200 -0.022 0.000 0.904 216 S HN 0.737 nan 8.310 nan 0.000 0.518 217 N N 0.506 119.209 118.700 0.004 0.000 3.201 217 N HA 0.456 5.196 4.740 -0.001 0.000 0.344 217 N C -0.108 175.421 175.510 0.031 0.000 1.465 217 N CA -0.764 52.310 53.050 0.041 0.000 0.731 217 N CB 0.704 39.239 38.487 0.079 0.000 1.677 217 N HN 0.147 nan 8.380 nan 0.000 0.631 218 K N 0.769 121.195 120.400 0.043 0.000 3.167 218 K HA 0.365 4.684 4.320 -0.001 0.000 0.208 218 K C -0.961 175.659 176.600 0.032 0.000 1.159 218 K CA -0.161 56.144 56.287 0.029 0.000 1.018 218 K CB 0.837 33.353 32.500 0.027 0.000 0.927 218 K HN 0.133 nan 8.250 nan 0.000 0.476 219 V N 1.621 121.556 119.914 0.034 0.000 2.498 219 V HA 0.058 4.177 4.120 -0.001 0.000 0.279 219 V C 1.115 177.220 176.094 0.019 0.000 1.048 219 V CA 0.077 62.398 62.300 0.035 0.000 0.967 219 V CB 1.424 33.274 31.823 0.045 0.000 0.988 219 V HN 0.558 nan 8.190 nan 0.000 0.473 220 S N 1.843 117.554 115.700 0.017 0.000 2.599 220 S HA 0.110 4.580 4.470 -0.001 0.000 0.236 220 S C 0.593 175.200 174.600 0.012 0.000 1.077 220 S CA -0.099 58.108 58.200 0.011 0.000 0.906 220 S CB 0.174 63.378 63.200 0.008 0.000 0.804 220 S HN 0.669 nan 8.310 nan 0.000 0.497 221 D N 2.425 122.834 120.400 0.016 0.000 2.365 221 D HA 0.268 4.907 4.640 -0.001 0.000 0.237 221 D C 0.530 176.843 176.300 0.021 0.000 1.190 221 D CA -0.490 53.519 54.000 0.015 0.000 0.867 221 D CB 0.700 41.509 40.800 0.015 0.000 1.050 221 D HN 0.591 nan 8.370 nan 0.000 0.491 222 I N 0.983 121.563 120.570 0.017 0.000 3.889 222 I HA 0.121 4.290 4.170 -0.001 0.000 0.332 222 I C 1.520 177.647 176.117 0.016 0.000 1.493 222 I CA -0.446 60.865 61.300 0.019 0.000 1.158 222 I CB 0.146 38.154 38.000 0.013 0.000 1.117 222 I HN 0.118 nan 8.210 nan 0.000 0.411 223 S N 0.678 116.386 115.700 0.014 0.000 2.400 223 S HA -0.200 4.270 4.470 -0.001 0.000 0.232 223 S C 1.886 176.494 174.600 0.014 0.000 1.025 223 S CA 1.392 59.599 58.200 0.011 0.000 0.993 223 S CB -0.863 62.342 63.200 0.009 0.000 0.808 223 S HN 0.449 nan 8.310 nan 0.000 0.478 224 V N 1.910 121.835 119.914 0.019 0.000 2.594 224 V HA -0.056 4.063 4.120 -0.001 0.000 0.253 224 V C 2.191 178.298 176.094 0.022 0.000 1.069 224 V CA 1.611 63.923 62.300 0.021 0.000 1.082 224 V CB -0.679 31.160 31.823 0.027 0.000 0.680 224 V HN 0.632 nan 8.190 nan 0.000 0.469 225 L N 0.125 121.362 121.223 0.023 0.000 2.265 225 L HA -0.102 4.237 4.340 -0.001 0.000 0.215 225 L C 2.704 179.582 176.870 0.014 0.000 1.117 225 L CA 1.251 56.104 54.840 0.021 0.000 0.782 225 L CB -0.927 41.142 42.059 0.017 0.000 0.914 225 L HN 0.433 nan 8.230 nan 0.000 0.441 226 A N 0.368 123.194 122.820 0.011 0.000 2.076 226 A HA -0.211 4.109 4.320 -0.001 0.000 0.220 226 A C 2.266 179.855 177.584 0.009 0.000 1.160 226 A CA 1.514 53.555 52.037 0.008 0.000 0.653 226 A CB -0.309 18.695 19.000 0.006 0.000 0.801 226 A HN 0.378 nan 8.150 nan 0.000 0.455 227 K N -0.643 119.764 120.400 0.011 0.000 2.366 227 K HA 0.164 4.483 4.320 -0.001 0.000 0.198 227 K C 0.019 176.626 176.600 0.012 0.000 1.044 227 K CA 0.303 56.596 56.287 0.011 0.000 0.973 227 K CB -0.056 32.451 32.500 0.012 0.000 0.767 227 K HN 0.425 nan 8.250 nan 0.000 0.475 228 L N 2.455 123.687 121.223 0.014 0.000 2.648 228 L HA 0.089 4.428 4.340 -0.001 0.000 0.238 228 L C 1.061 177.937 176.870 0.011 0.000 1.316 228 L CA -0.234 54.615 54.840 0.015 0.000 1.241 228 L CB -0.211 41.860 42.059 0.020 0.000 1.499 228 L HN 0.185 nan 8.230 nan 0.000 0.411 229 T N -4.466 110.093 114.554 0.009 0.000 3.113 229 T HA -0.041 4.308 4.350 -0.001 0.000 0.263 229 T C 1.305 176.008 174.700 0.005 0.000 1.143 229 T CA 0.397 62.500 62.100 0.006 0.000 1.090 229 T CB -0.098 68.773 68.868 0.005 0.000 0.922 229 T HN 0.368 nan 8.240 nan 0.000 0.521 230 N N 0.904 119.608 118.700 0.007 0.000 2.398 230 N HA 0.203 4.943 4.740 -0.001 0.000 0.188 230 N C 0.181 175.694 175.510 0.005 0.000 1.122 230 N CA -0.019 53.034 53.050 0.006 0.000 0.866 230 N CB 0.057 38.548 38.487 0.008 0.000 0.970 230 N HN 0.463 nan 8.380 nan 0.000 0.462 231 L N 1.394 122.620 121.223 0.005 0.000 2.540 231 L HA -0.037 4.302 4.340 -0.001 0.000 0.276 231 L C 1.337 178.207 176.870 -0.001 0.000 1.212 231 L CA 0.515 55.356 54.840 0.002 0.000 0.893 231 L CB 0.585 42.645 42.059 0.001 0.000 1.138 231 L HN 0.079 nan 8.230 nan 0.000 0.491 232 E N 0.728 120.926 120.200 -0.003 0.000 2.330 232 E HA 0.045 4.395 4.350 -0.001 0.000 0.200 232 E C -0.109 176.485 176.600 -0.009 0.000 0.922 232 E CA 0.170 56.566 56.400 -0.005 0.000 0.935 232 E CB 0.782 30.480 29.700 -0.004 0.000 0.917 232 E HN 0.673 nan 8.360 nan 0.000 0.491 233 S N 0.721 116.414 115.700 -0.012 0.000 2.619 233 S HA 0.557 5.027 4.470 -0.001 0.000 0.280 233 S C -1.170 173.416 174.600 -0.025 0.000 1.150 233 S CA -0.989 57.200 58.200 -0.019 0.000 0.978 233 S CB 1.952 65.139 63.200 -0.021 0.000 1.041 233 S HN 0.064 nan 8.310 nan 0.000 0.485 234 L N 3.510 124.716 121.223 -0.028 0.000 2.349 234 L HA 0.718 5.058 4.340 -0.001 0.000 0.278 234 L C -1.589 175.254 176.870 -0.045 0.000 0.996 234 L CA -0.719 54.099 54.840 -0.036 0.000 0.825 234 L CB 1.069 43.112 42.059 -0.027 0.000 1.243 234 L HN 0.866 nan 8.230 nan 0.000 0.412 235 I N 5.652 126.184 120.570 -0.063 0.000 2.420 235 I HA 0.565 4.735 4.170 -0.001 0.000 0.282 235 I C 0.115 176.179 176.117 -0.088 0.000 1.019 235 I CA -0.179 61.080 61.300 -0.070 0.000 1.130 235 I CB 1.832 39.787 38.000 -0.075 0.000 1.262 235 I HN 0.797 nan 8.210 nan 0.000 0.454 236 A N 4.166 126.943 122.820 -0.071 0.000 2.959 236 A HA 0.365 4.685 4.320 -0.001 0.000 0.280 236 A C 0.483 178.033 177.584 -0.057 0.000 0.953 236 A CA -0.418 51.577 52.037 -0.070 0.000 1.047 236 A CB -0.140 18.829 19.000 -0.052 0.000 1.147 236 A HN 0.619 nan 8.150 nan 0.000 0.489 237 T N -1.454 113.064 114.554 -0.061 0.000 2.868 237 T HA 0.318 4.667 4.350 -0.001 0.000 0.292 237 T C 0.369 175.042 174.700 -0.044 0.000 1.028 237 T CA -0.057 62.014 62.100 -0.049 0.000 1.059 237 T CB 0.216 69.054 68.868 -0.050 0.000 0.991 237 T HN 0.477 nan 8.240 nan 0.000 0.531 238 N N 2.060 120.739 118.700 -0.035 0.000 2.708 238 N HA -0.153 4.586 4.740 -0.001 0.000 0.255 238 N C -0.589 174.907 175.510 -0.022 0.000 1.046 238 N CA 0.576 53.609 53.050 -0.028 0.000 0.715 238 N CB -1.410 37.060 38.487 -0.029 0.000 0.895 238 N HN 0.727 nan 8.380 nan 0.000 0.545 239 N N 0.231 118.919 118.700 -0.019 0.000 3.369 239 N HA 0.311 5.051 4.740 -0.001 0.000 0.362 239 N C 0.076 175.581 175.510 -0.008 0.000 1.523 239 N CA -0.395 52.649 53.050 -0.010 0.000 0.684 239 N CB 0.544 39.024 38.487 -0.011 0.000 1.796 239 N HN 0.140 nan 8.380 nan 0.000 0.641 240 Q N 0.695 120.494 119.800 -0.003 0.000 2.233 240 Q HA 0.453 4.792 4.340 -0.001 0.000 0.340 240 Q C -0.709 175.289 176.000 -0.003 0.000 0.899 240 Q CA -0.101 55.701 55.803 -0.003 0.000 1.139 240 Q CB 0.478 29.217 28.738 0.001 0.000 1.273 240 Q HN 0.403 nan 8.270 nan 0.000 0.431 241 I N 1.004 121.570 120.570 -0.006 0.000 2.371 241 I HA 0.036 4.205 4.170 -0.001 0.000 0.290 241 I C 1.103 177.215 176.117 -0.007 0.000 1.028 241 I CA 0.181 61.478 61.300 -0.005 0.000 1.345 241 I CB 1.363 39.359 38.000 -0.007 0.000 1.407 241 I HN 0.234 nan 8.210 nan 0.000 0.501 242 S N 1.906 117.603 115.700 -0.006 0.000 2.554 242 S HA 0.109 4.578 4.470 -0.001 0.000 0.227 242 S C 0.178 174.774 174.600 -0.006 0.000 1.050 242 S CA -0.372 57.824 58.200 -0.007 0.000 0.927 242 S CB 0.189 63.386 63.200 -0.006 0.000 0.859 242 S HN 0.654 nan 8.310 nan 0.000 0.494 243 D N 2.000 122.398 120.400 -0.004 0.000 2.414 243 D HA 0.394 5.033 4.640 -0.001 0.000 0.232 243 D C 0.446 176.744 176.300 -0.003 0.000 1.070 243 D CA -0.774 53.224 54.000 -0.003 0.000 0.839 243 D CB 0.971 41.770 40.800 -0.001 0.000 1.079 243 D HN 0.445 nan 8.370 nan 0.000 0.521 244 I N 0.967 121.534 120.570 -0.005 0.000 3.941 244 I HA 0.183 4.352 4.170 -0.001 0.000 0.335 244 I C 1.409 177.524 176.117 -0.004 0.000 1.402 244 I CA -0.298 60.999 61.300 -0.005 0.000 1.112 244 I CB 0.063 38.058 38.000 -0.008 0.000 1.043 244 I HN 0.238 nan 8.210 nan 0.000 0.395 245 T N -0.727 113.825 114.554 -0.003 0.000 2.849 245 T HA 0.017 4.366 4.350 -0.001 0.000 0.270 245 T C -0.397 174.303 174.700 -0.001 0.000 1.066 245 T CA 1.043 63.142 62.100 -0.002 0.000 1.130 245 T CB -1.842 67.025 68.868 -0.002 0.000 0.864 245 T HN 0.300 nan 8.240 nan 0.000 0.481 246 P HA 0.078 nan 4.420 nan 0.000 0.221 246 P C 1.307 178.608 177.300 0.001 0.000 1.145 246 P CA 0.690 63.791 63.100 0.002 0.000 0.795 246 P CB -0.318 31.385 31.700 0.005 0.000 0.775 247 L N -1.910 119.313 121.223 -0.001 0.000 2.552 247 L HA 0.052 4.391 4.340 -0.001 0.000 0.227 247 L C 2.470 179.339 176.870 -0.002 0.000 1.146 247 L CA 0.795 55.633 54.840 -0.002 0.000 0.858 247 L CB -1.277 40.779 42.059 -0.005 0.000 0.969 247 L HN 0.062 nan 8.230 nan 0.000 0.451 248 G N 2.027 110.826 108.800 -0.002 0.000 2.469 248 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 248 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 248 G C 1.439 176.337 174.900 -0.002 0.000 1.150 248 G CA 1.099 46.198 45.100 -0.002 0.000 0.763 248 G HN 0.614 nan 8.290 nan 0.000 0.561 249 I N -1.704 118.865 120.570 -0.001 0.000 3.793 249 I HA 0.368 4.537 4.170 -0.001 0.000 0.315 249 I C 0.582 176.699 176.117 0.000 0.000 1.275 249 I CA -0.064 61.236 61.300 -0.000 0.000 1.214 249 I CB 0.059 38.059 38.000 0.001 0.000 1.018 249 I HN -0.095 nan 8.210 nan 0.000 0.439 250 L N 2.879 124.101 121.223 -0.001 0.000 2.727 250 L HA 0.160 4.499 4.340 -0.001 0.000 0.237 250 L C 1.583 178.451 176.870 -0.002 0.000 1.370 250 L CA -0.123 54.717 54.840 -0.001 0.000 1.248 250 L CB -0.472 41.586 42.059 -0.001 0.000 1.556 250 L HN 0.377 nan 8.230 nan 0.000 0.420 251 T N -4.615 109.938 114.554 -0.002 0.000 3.085 251 T HA -0.049 4.300 4.350 -0.001 0.000 0.263 251 T C 1.389 176.087 174.700 -0.003 0.000 1.127 251 T CA 0.314 62.412 62.100 -0.003 0.000 1.103 251 T CB -0.122 68.744 68.868 -0.002 0.000 0.921 251 T HN 0.345 nan 8.240 nan 0.000 0.510 252 N N 1.143 119.842 118.700 -0.002 0.000 2.521 252 N HA 0.145 4.884 4.740 -0.001 0.000 0.188 252 N C 0.235 175.743 175.510 -0.004 0.000 1.146 252 N CA 0.104 53.153 53.050 -0.002 0.000 0.893 252 N CB -0.206 38.280 38.487 -0.001 0.000 0.975 252 N HN 0.485 nan 8.380 nan 0.000 0.451 253 L N 1.677 122.897 121.223 -0.005 0.000 2.477 253 L HA -0.036 4.304 4.340 -0.001 0.000 0.272 253 L C 1.189 178.054 176.870 -0.008 0.000 1.157 253 L CA 0.053 54.889 54.840 -0.007 0.000 0.889 253 L CB 0.504 42.558 42.059 -0.008 0.000 1.158 253 L HN 0.136 nan 8.230 nan 0.000 0.473 254 D N 0.844 121.238 120.400 -0.009 0.000 2.441 254 D HA 0.032 4.671 4.640 -0.001 0.000 0.210 254 D C 0.273 176.566 176.300 -0.011 0.000 1.102 254 D CA -0.174 53.820 54.000 -0.009 0.000 0.840 254 D CB 0.578 41.374 40.800 -0.008 0.000 0.990 254 D HN 0.469 nan 8.370 nan 0.000 0.505 255 E N -0.103 120.090 120.200 -0.013 0.000 2.291 255 E HA 0.458 4.808 4.350 -0.001 0.000 0.276 255 E C -2.193 174.395 176.600 -0.019 0.000 0.896 255 E CA -1.019 55.371 56.400 -0.016 0.000 0.774 255 E CB 1.678 31.369 29.700 -0.017 0.000 1.227 255 E HN 0.097 nan 8.360 nan 0.000 0.413 256 L N 2.811 124.022 121.223 -0.020 0.000 2.470 256 L HA 0.558 4.897 4.340 -0.001 0.000 0.268 256 L C -1.794 175.061 176.870 -0.026 0.000 0.964 256 L CA -0.153 54.673 54.840 -0.023 0.000 0.839 256 L CB 2.307 44.354 42.059 -0.019 0.000 1.276 256 L HN 0.409 nan 8.230 nan 0.000 0.403 257 S N 5.782 121.463 115.700 -0.031 0.000 2.552 257 S HA 0.655 5.125 4.470 -0.001 0.000 0.314 257 S C 0.006 174.584 174.600 -0.036 0.000 1.099 257 S CA -0.352 57.827 58.200 -0.034 0.000 1.070 257 S CB 1.299 64.475 63.200 -0.040 0.000 0.998 257 S HN 0.647 nan 8.310 nan 0.000 0.474 258 L N 2.094 123.298 121.223 -0.032 0.000 3.267 258 L HA 0.318 4.657 4.340 -0.001 0.000 0.289 258 L C 0.432 177.283 176.870 -0.032 0.000 1.260 258 L CA -0.320 54.501 54.840 -0.031 0.000 1.034 258 L CB 0.162 42.206 42.059 -0.026 0.000 1.413 258 L HN 0.519 nan 8.230 nan 0.000 0.594 259 N N 2.382 121.062 118.700 -0.034 0.000 2.301 259 N HA -0.004 4.735 4.740 -0.001 0.000 0.267 259 N C 0.862 176.351 175.510 -0.034 0.000 1.304 259 N CA 1.689 54.718 53.050 -0.035 0.000 0.851 259 N CB 0.741 39.206 38.487 -0.037 0.000 1.070 259 N HN 0.442 nan 8.380 nan 0.000 0.483 260 G N 2.419 111.200 108.800 -0.033 0.000 2.452 260 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.275 260 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.275 260 G C -0.220 174.664 174.900 -0.026 0.000 1.131 260 G CA -0.236 44.846 45.100 -0.030 0.000 1.031 260 G HN 0.734 nan 8.290 nan 0.000 0.511 261 N N -0.971 117.714 118.700 -0.025 0.000 3.566 261 N HA 0.520 5.259 4.740 -0.001 0.000 0.354 261 N C 0.086 175.584 175.510 -0.019 0.000 1.632 261 N CA -0.548 52.490 53.050 -0.020 0.000 0.690 261 N CB 0.719 39.194 38.487 -0.020 0.000 2.273 261 N HN 0.173 nan 8.380 nan 0.000 0.643 262 Q N 0.950 120.740 119.800 -0.016 0.000 2.318 262 Q HA 0.465 4.804 4.340 -0.001 0.000 0.371 262 Q C -0.902 175.090 176.000 -0.014 0.000 0.896 262 Q CA -0.079 55.715 55.803 -0.015 0.000 1.134 262 Q CB 0.493 29.224 28.738 -0.012 0.000 1.329 262 Q HN 0.323 nan 8.270 nan 0.000 0.413 263 L N 0.174 121.387 121.223 -0.016 0.000 2.371 263 L HA 0.340 4.679 4.340 -0.001 0.000 0.272 263 L C 1.054 177.915 176.870 -0.016 0.000 1.124 263 L CA 0.108 54.938 54.840 -0.015 0.000 0.816 263 L CB 1.086 43.135 42.059 -0.017 0.000 1.129 263 L HN 0.284 nan 8.230 nan 0.000 0.448 264 K N 0.571 120.963 120.400 -0.013 0.000 2.757 264 K HA 0.041 4.360 4.320 -0.001 0.000 0.201 264 K C -0.012 176.581 176.600 -0.012 0.000 1.495 264 K CA -0.336 55.943 56.287 -0.013 0.000 1.090 264 K CB 0.534 33.027 32.500 -0.011 0.000 1.796 264 K HN 0.586 nan 8.250 nan 0.000 0.523 265 D N 2.113 122.507 120.400 -0.010 0.000 2.336 265 D HA 0.082 4.721 4.640 -0.001 0.000 0.249 265 D C 0.438 176.732 176.300 -0.010 0.000 1.213 265 D CA -0.274 53.720 54.000 -0.009 0.000 0.870 265 D CB 0.754 41.550 40.800 -0.007 0.000 1.076 265 D HN 0.408 nan 8.370 nan 0.000 0.483 266 I N 0.882 121.446 120.570 -0.010 0.000 3.877 266 I HA 0.429 4.598 4.170 -0.001 0.000 0.332 266 I C 1.533 177.644 176.117 -0.010 0.000 1.525 266 I CA -0.789 60.505 61.300 -0.011 0.000 1.146 266 I CB 0.659 38.651 38.000 -0.013 0.000 1.137 266 I HN 0.320 nan 8.210 nan 0.000 0.424 267 G N 1.636 110.431 108.800 -0.008 0.000 2.469 267 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.220 267 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.220 267 G C 1.391 176.287 174.900 -0.007 0.000 1.136 267 G CA 1.737 46.833 45.100 -0.007 0.000 0.759 267 G HN 0.424 nan 8.290 nan 0.000 0.562 268 T N 1.416 115.966 114.554 -0.007 0.000 2.778 268 T HA -0.079 4.270 4.350 -0.001 0.000 0.269 268 T C 2.292 176.988 174.700 -0.007 0.000 1.050 268 T CA 0.868 62.965 62.100 -0.006 0.000 1.137 268 T CB -0.187 68.677 68.868 -0.006 0.000 0.860 268 T HN 0.225 nan 8.240 nan 0.000 0.468 269 L N 0.684 121.903 121.223 -0.008 0.000 2.353 269 L HA -0.024 4.315 4.340 -0.001 0.000 0.220 269 L C 2.930 179.795 176.870 -0.008 0.000 1.133 269 L CA 0.629 55.464 54.840 -0.009 0.000 0.798 269 L CB -0.708 41.344 42.059 -0.011 0.000 0.922 269 L HN 0.243 nan 8.230 nan 0.000 0.445 270 A N 0.415 123.230 122.820 -0.007 0.000 2.024 270 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 270 A C 2.504 180.085 177.584 -0.006 0.000 1.164 270 A CA 1.899 53.932 52.037 -0.007 0.000 0.643 270 A CB -0.483 18.514 19.000 -0.006 0.000 0.806 270 A HN 0.542 nan 8.150 nan 0.000 0.451 271 S N -0.491 115.206 115.700 -0.006 0.000 2.489 271 S HA 0.127 4.597 4.470 -0.001 0.000 0.228 271 S C 0.800 175.397 174.600 -0.005 0.000 0.995 271 S CA 0.257 58.454 58.200 -0.005 0.000 0.934 271 S CB -0.483 62.715 63.200 -0.004 0.000 0.771 271 S HN 0.399 nan 8.310 nan 0.000 0.522 272 L N 3.475 124.695 121.223 -0.006 0.000 2.480 272 L HA 0.247 4.587 4.340 -0.001 0.000 0.243 272 L C 1.492 178.357 176.870 -0.007 0.000 1.315 272 L CA -0.106 54.730 54.840 -0.007 0.000 1.231 272 L CB -0.538 41.516 42.059 -0.008 0.000 1.444 272 L HN 0.406 nan 8.230 nan 0.000 0.409 273 T N -4.379 110.171 114.554 -0.006 0.000 3.118 273 T HA -0.030 4.320 4.350 -0.001 0.000 0.260 273 T C 1.291 175.988 174.700 -0.006 0.000 1.139 273 T CA 0.325 62.421 62.100 -0.006 0.000 1.085 273 T CB -0.097 68.768 68.868 -0.005 0.000 0.934 273 T HN 0.352 nan 8.240 nan 0.000 0.518 274 N N 0.947 119.643 118.700 -0.006 0.000 2.336 274 N HA 0.220 4.960 4.740 -0.001 0.000 0.189 274 N C 0.138 175.644 175.510 -0.008 0.000 1.113 274 N CA -0.012 53.034 53.050 -0.006 0.000 0.858 274 N CB 0.001 38.485 38.487 -0.005 0.000 0.970 274 N HN 0.472 nan 8.380 nan 0.000 0.471 275 L N 1.262 122.480 121.223 -0.009 0.000 2.513 275 L HA 0.001 4.341 4.340 -0.001 0.000 0.272 275 L C 1.736 178.600 176.870 -0.010 0.000 1.187 275 L CA 0.285 55.119 54.840 -0.010 0.000 0.895 275 L CB 0.660 42.712 42.059 -0.011 0.000 1.147 275 L HN 0.145 nan 8.230 nan 0.000 0.483 276 T N -2.718 111.830 114.554 -0.011 0.000 2.971 276 T HA 0.106 4.455 4.350 -0.001 0.000 0.252 276 T C 0.236 174.928 174.700 -0.013 0.000 1.022 276 T CA -0.226 61.867 62.100 -0.012 0.000 0.980 276 T CB 0.425 69.286 68.868 -0.011 0.000 1.044 276 T HN 0.482 nan 8.240 nan 0.000 0.501 277 D N 0.564 120.957 120.400 -0.013 0.000 2.602 277 D HA 0.450 5.089 4.640 -0.001 0.000 0.245 277 D C -1.872 174.420 176.300 -0.014 0.000 1.325 277 D CA -0.490 53.503 54.000 -0.013 0.000 0.952 277 D CB 2.028 42.821 40.800 -0.012 0.000 1.317 277 D HN 0.233 nan 8.370 nan 0.000 0.577 278 L N 3.771 124.985 121.223 -0.015 0.000 2.406 278 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 278 L C -1.537 175.322 176.870 -0.019 0.000 0.980 278 L CA -0.442 54.387 54.840 -0.017 0.000 0.831 278 L CB 1.853 43.902 42.059 -0.017 0.000 1.253 278 L HN 0.172 nan 8.230 nan 0.000 0.406 279 D N 4.865 125.251 120.400 -0.022 0.000 2.471 279 D HA 0.381 5.020 4.640 -0.001 0.000 0.245 279 D C -0.346 175.937 176.300 -0.029 0.000 1.116 279 D CA -0.087 53.897 54.000 -0.026 0.000 0.853 279 D CB 1.133 41.917 40.800 -0.027 0.000 1.123 279 D HN 0.637 nan 8.370 nan 0.000 0.540 280 L N 2.345 123.550 121.223 -0.031 0.000 3.168 280 L HA 0.465 4.804 4.340 -0.001 0.000 0.277 280 L C 0.912 177.760 176.870 -0.037 0.000 1.245 280 L CA -0.578 54.243 54.840 -0.031 0.000 1.035 280 L CB 0.538 42.580 42.059 -0.028 0.000 1.399 280 L HN 0.318 nan 8.230 nan 0.000 0.580 281 A N 0.093 122.889 122.820 -0.041 0.000 2.448 281 A HA 0.228 4.547 4.320 -0.001 0.000 0.239 281 A C 0.739 178.296 177.584 -0.045 0.000 1.080 281 A CA 0.029 52.037 52.037 -0.049 0.000 0.779 281 A CB -0.008 18.961 19.000 -0.052 0.000 1.026 281 A HN 0.606 nan 8.150 nan 0.000 0.499 282 N N 0.866 119.536 118.700 -0.050 0.000 2.726 282 N HA -0.132 4.607 4.740 -0.001 0.000 0.253 282 N C -0.478 175.009 175.510 -0.039 0.000 1.059 282 N CA 1.159 54.182 53.050 -0.046 0.000 0.701 282 N CB -1.140 37.322 38.487 -0.042 0.000 0.899 282 N HN 0.764 nan 8.380 nan 0.000 0.548 283 N N 0.194 118.871 118.700 -0.038 0.000 3.513 283 N HA 0.306 5.045 4.740 -0.001 0.000 0.351 283 N C 0.011 175.503 175.510 -0.030 0.000 1.624 283 N CA -0.382 52.650 53.050 -0.031 0.000 0.712 283 N CB 0.485 38.954 38.487 -0.028 0.000 2.106 283 N HN 0.138 nan 8.380 nan 0.000 0.649 284 Q N 0.552 120.337 119.800 -0.025 0.000 2.129 284 Q HA 0.459 4.799 4.340 -0.001 0.000 0.274 284 Q C -0.654 175.334 176.000 -0.020 0.000 0.854 284 Q CA -0.101 55.689 55.803 -0.022 0.000 1.123 284 Q CB 0.645 29.372 28.738 -0.018 0.000 1.226 284 Q HN 0.422 nan 8.270 nan 0.000 0.454 285 I N 0.943 121.499 120.570 -0.023 0.000 2.474 285 I HA 0.010 4.180 4.170 -0.001 0.000 0.287 285 I C 1.176 177.281 176.117 -0.019 0.000 1.048 285 I CA 0.287 61.575 61.300 -0.020 0.000 1.383 285 I CB 1.341 39.328 38.000 -0.022 0.000 1.412 285 I HN 0.220 nan 8.210 nan 0.000 0.531 286 S N 2.940 118.630 115.700 -0.016 0.000 2.670 286 S HA 0.102 4.571 4.470 -0.001 0.000 0.241 286 S C 0.537 175.129 174.600 -0.013 0.000 1.077 286 S CA -0.334 57.857 58.200 -0.014 0.000 0.899 286 S CB 0.022 63.215 63.200 -0.011 0.000 0.835 286 S HN 0.636 nan 8.310 nan 0.000 0.481 287 N N 1.696 120.388 118.700 -0.012 0.000 2.462 287 N HA 0.387 5.126 4.740 -0.001 0.000 0.242 287 N C 0.062 175.565 175.510 -0.012 0.000 1.010 287 N CA -0.466 52.577 53.050 -0.011 0.000 0.939 287 N CB 0.564 39.045 38.487 -0.009 0.000 1.127 287 N HN 0.342 nan 8.380 nan 0.000 0.509 288 L N 2.380 123.595 121.223 -0.013 0.000 2.607 288 L HA 0.259 4.598 4.340 -0.001 0.000 0.228 288 L C 1.987 178.850 176.870 -0.012 0.000 1.123 288 L CA 0.014 54.846 54.840 -0.014 0.000 0.890 288 L CB -0.163 41.887 42.059 -0.015 0.000 1.103 288 L HN 0.554 nan 8.230 nan 0.000 0.468 289 A N 1.408 124.222 122.820 -0.010 0.000 1.948 289 A HA -0.133 4.186 4.320 -0.001 0.000 0.220 289 A C -0.183 177.396 177.584 -0.009 0.000 1.177 289 A CA 1.572 53.604 52.037 -0.009 0.000 0.636 289 A CB -1.518 17.478 19.000 -0.008 0.000 0.815 289 A HN 0.281 nan 8.150 nan 0.000 0.449 290 P HA -0.082 nan 4.420 nan 0.000 0.225 290 P C 0.950 178.244 177.300 -0.010 0.000 1.148 290 P CA 0.734 63.829 63.100 -0.009 0.000 0.779 290 P CB -0.069 31.625 31.700 -0.009 0.000 0.780 291 L N -1.297 119.919 121.223 -0.011 0.000 2.567 291 L HA 0.026 4.366 4.340 -0.001 0.000 0.225 291 L C 2.215 179.079 176.870 -0.010 0.000 1.119 291 L CA 0.758 55.591 54.840 -0.011 0.000 0.871 291 L CB -0.812 41.239 42.059 -0.013 0.000 1.036 291 L HN 0.075 nan 8.230 nan 0.000 0.459 292 S N 0.058 115.753 115.700 -0.010 0.000 2.419 292 S HA -0.106 4.363 4.470 -0.001 0.000 0.233 292 S C 1.795 176.390 174.600 -0.008 0.000 1.016 292 S CA 1.068 59.263 58.200 -0.009 0.000 0.974 292 S CB -0.582 62.613 63.200 -0.008 0.000 0.786 292 S HN 0.423 nan 8.310 nan 0.000 0.492 293 G N 0.633 109.428 108.800 -0.008 0.000 3.141 293 G HA2 0.386 4.345 3.960 -0.001 0.000 0.218 293 G HA3 0.386 4.345 3.960 -0.001 0.000 0.218 293 G C 0.397 175.292 174.900 -0.008 0.000 1.170 293 G CA -0.435 44.660 45.100 -0.007 0.000 0.769 293 G HN 0.507 nan 8.290 nan 0.000 0.546 294 L N 2.705 123.923 121.223 -0.009 0.000 2.480 294 L HA 0.156 4.495 4.340 -0.001 0.000 0.243 294 L C 1.826 178.691 176.870 -0.009 0.000 1.315 294 L CA -0.179 54.656 54.840 -0.009 0.000 1.231 294 L CB -0.047 42.007 42.059 -0.010 0.000 1.444 294 L HN 0.189 nan 8.230 nan 0.000 0.409 295 T N -4.076 110.473 114.554 -0.009 0.000 3.160 295 T HA -0.030 4.319 4.350 -0.001 0.000 0.257 295 T C 1.348 176.043 174.700 -0.009 0.000 1.147 295 T CA 0.281 62.376 62.100 -0.009 0.000 1.064 295 T CB -0.076 68.787 68.868 -0.008 0.000 0.949 295 T HN 0.386 nan 8.240 nan 0.000 0.526 296 K N 0.750 121.145 120.400 -0.009 0.000 2.444 296 K HA 0.283 4.603 4.320 -0.001 0.000 0.193 296 K C 0.197 176.790 176.600 -0.011 0.000 1.024 296 K CA -0.120 56.161 56.287 -0.010 0.000 1.077 296 K CB -0.080 32.414 32.500 -0.009 0.000 0.833 296 K HN 0.404 nan 8.250 nan 0.000 0.517 297 L N 2.155 123.371 121.223 -0.011 0.000 2.534 297 L HA -0.030 4.309 4.340 -0.001 0.000 0.271 297 L C 1.556 178.417 176.870 -0.014 0.000 1.178 297 L CA 0.143 54.976 54.840 -0.012 0.000 0.907 297 L CB 0.612 42.663 42.059 -0.012 0.000 1.164 297 L HN 0.250 nan 8.230 nan 0.000 0.482 298 T N -1.389 113.155 114.554 -0.016 0.000 2.990 298 T HA 0.189 4.539 4.350 -0.001 0.000 0.249 298 T C 0.481 175.168 174.700 -0.021 0.000 1.039 298 T CA -0.173 61.915 62.100 -0.021 0.000 1.036 298 T CB 0.327 69.180 68.868 -0.025 0.000 0.994 298 T HN 0.541 nan 8.240 nan 0.000 0.489 299 E N 0.795 120.986 120.200 -0.015 0.000 2.246 299 E HA 0.584 4.934 4.350 -0.001 0.000 0.266 299 E C -2.074 174.522 176.600 -0.007 0.000 0.880 299 E CA -0.878 55.517 56.400 -0.009 0.000 0.762 299 E CB 2.585 32.282 29.700 -0.005 0.000 1.180 299 E HN 0.102 nan 8.360 nan 0.000 0.416 300 L N 2.966 124.186 121.223 -0.005 0.000 2.446 300 L HA 0.386 4.725 4.340 -0.001 0.000 0.268 300 L C -1.630 175.232 176.870 -0.012 0.000 0.975 300 L CA -0.697 54.137 54.840 -0.010 0.000 0.848 300 L CB 1.171 43.223 42.059 -0.012 0.000 1.225 300 L HN 0.275 nan 8.230 nan 0.000 0.410 301 K N 5.639 126.027 120.400 -0.019 0.000 2.240 301 K HA 0.614 4.933 4.320 -0.001 0.000 0.271 301 K C 0.009 176.586 176.600 -0.039 0.000 1.018 301 K CA 0.010 56.279 56.287 -0.030 0.000 0.874 301 K CB 1.460 33.943 32.500 -0.029 0.000 1.098 301 K HN 0.630 nan 8.250 nan 0.000 0.458 302 L N 1.770 122.961 121.223 -0.052 0.000 3.333 302 L HA 0.284 4.623 4.340 -0.001 0.000 0.299 302 L C 0.665 177.487 176.870 -0.079 0.000 1.256 302 L CA -0.530 54.276 54.840 -0.056 0.000 1.037 302 L CB 1.077 43.108 42.059 -0.048 0.000 1.423 302 L HN 0.771 nan 8.230 nan 0.000 0.605 303 G N 0.318 109.057 108.800 -0.102 0.000 2.484 303 G HA2 0.302 4.262 3.960 -0.001 0.000 0.235 303 G HA3 0.302 4.262 3.960 -0.001 0.000 0.235 303 G C 0.803 175.638 174.900 -0.110 0.000 1.282 303 G CA 0.457 45.471 45.100 -0.143 0.000 0.857 303 G HN 0.507 nan 8.290 nan 0.000 0.571 304 A N 1.319 124.068 122.820 -0.119 0.000 2.360 304 A HA -0.147 4.172 4.320 -0.001 0.000 0.289 304 A C 0.587 178.131 177.584 -0.068 0.000 1.437 304 A CA 0.898 52.880 52.037 -0.092 0.000 0.734 304 A CB -1.880 17.069 19.000 -0.085 0.000 1.145 304 A HN 0.827 nan 8.150 nan 0.000 0.374 305 N N -0.708 117.956 118.700 -0.061 0.000 3.455 305 N HA 0.505 5.245 4.740 -0.001 0.000 0.358 305 N C 0.169 175.658 175.510 -0.035 0.000 1.580 305 N CA -0.500 52.523 53.050 -0.045 0.000 0.692 305 N CB 0.663 39.124 38.487 -0.043 0.000 1.978 305 N HN 0.512 nan 8.380 nan 0.000 0.651 306 Q N 0.732 120.516 119.800 -0.027 0.000 2.233 306 Q HA 0.463 4.803 4.340 -0.001 0.000 0.340 306 Q C -0.733 175.257 176.000 -0.016 0.000 0.899 306 Q CA -0.086 55.706 55.803 -0.018 0.000 1.139 306 Q CB 0.483 29.212 28.738 -0.015 0.000 1.273 306 Q HN 0.400 nan 8.270 nan 0.000 0.431 307 I N 0.973 121.530 120.570 -0.021 0.000 2.371 307 I HA 0.053 4.223 4.170 -0.001 0.000 0.290 307 I C 1.076 177.185 176.117 -0.014 0.000 1.028 307 I CA 0.128 61.416 61.300 -0.019 0.000 1.345 307 I CB 1.427 39.411 38.000 -0.027 0.000 1.407 307 I HN 0.212 nan 8.210 nan 0.000 0.501 308 S N 3.051 118.744 115.700 -0.011 0.000 2.604 308 S HA 0.197 4.666 4.470 -0.001 0.000 0.235 308 S C 0.343 174.938 174.600 -0.009 0.000 1.043 308 S CA -0.365 57.830 58.200 -0.007 0.000 0.997 308 S CB 0.148 63.347 63.200 -0.003 0.000 0.956 308 S HN 0.640 nan 8.310 nan 0.000 0.535 309 N N 1.742 120.435 118.700 -0.011 0.000 2.504 309 N HA 0.381 5.120 4.740 -0.001 0.000 0.280 309 N C -0.155 175.347 175.510 -0.014 0.000 1.052 309 N CA -0.619 52.424 53.050 -0.011 0.000 0.887 309 N CB 1.658 40.140 38.487 -0.009 0.000 1.323 309 N HN 0.473 nan 8.380 nan 0.000 0.509 310 I N 0.841 121.402 120.570 -0.015 0.000 3.914 310 I HA 0.207 4.377 4.170 -0.001 0.000 0.333 310 I C 1.414 177.522 176.117 -0.014 0.000 1.449 310 I CA -0.285 61.006 61.300 -0.016 0.000 1.135 310 I CB 0.113 38.102 38.000 -0.018 0.000 1.073 310 I HN 0.296 nan 8.210 nan 0.000 0.401 311 S N 1.730 117.423 115.700 -0.012 0.000 2.400 311 S HA -0.010 4.459 4.470 -0.001 0.000 0.232 311 S C -0.382 174.211 174.600 -0.011 0.000 1.025 311 S CA 0.928 59.121 58.200 -0.011 0.000 0.993 311 S CB -1.976 61.218 63.200 -0.010 0.000 0.808 311 S HN 0.384 nan 8.310 nan 0.000 0.478 312 P HA 0.081 nan 4.420 nan 0.000 0.228 312 P C 0.970 178.263 177.300 -0.011 0.000 1.151 312 P CA 0.712 63.806 63.100 -0.010 0.000 0.770 312 P CB -0.181 31.512 31.700 -0.011 0.000 0.786 313 L N -2.003 119.213 121.223 -0.012 0.000 2.558 313 L HA 0.152 4.491 4.340 -0.001 0.000 0.225 313 L C 2.199 179.062 176.870 -0.011 0.000 1.128 313 L CA 0.384 55.217 54.840 -0.012 0.000 0.868 313 L CB -0.775 41.276 42.059 -0.013 0.000 1.006 313 L HN -0.063 nan 8.230 nan 0.000 0.454 314 A N 0.786 123.599 122.820 -0.011 0.000 2.019 314 A HA -0.086 4.234 4.320 -0.001 0.000 0.219 314 A C 2.202 179.780 177.584 -0.009 0.000 1.164 314 A CA 1.615 53.646 52.037 -0.010 0.000 0.644 314 A CB -0.736 18.258 19.000 -0.010 0.000 0.805 314 A HN 0.424 nan 8.150 nan 0.000 0.449 315 G N -1.022 107.772 108.800 -0.009 0.000 2.985 315 G HA2 0.313 4.273 3.960 -0.001 0.000 0.209 315 G HA3 0.313 4.273 3.960 -0.001 0.000 0.209 315 G C 0.577 175.472 174.900 -0.009 0.000 1.165 315 G CA -0.208 44.887 45.100 -0.008 0.000 0.776 315 G HN 0.400 nan 8.290 nan 0.000 0.541 316 L N 2.700 123.917 121.223 -0.009 0.000 2.583 316 L HA 0.153 4.492 4.340 -0.001 0.000 0.239 316 L C 1.853 178.717 176.870 -0.010 0.000 1.347 316 L CA -0.156 54.678 54.840 -0.010 0.000 1.246 316 L CB -0.066 41.987 42.059 -0.010 0.000 1.496 316 L HN 0.182 nan 8.230 nan 0.000 0.413 317 T N -3.946 110.602 114.554 -0.009 0.000 3.118 317 T HA 0.009 4.358 4.350 -0.001 0.000 0.260 317 T C 1.614 176.307 174.700 -0.011 0.000 1.139 317 T CA 0.620 62.714 62.100 -0.009 0.000 1.085 317 T CB 0.285 69.148 68.868 -0.009 0.000 0.934 317 T HN 0.451 nan 8.240 nan 0.000 0.518 318 A N 0.906 123.719 122.820 -0.012 0.000 2.238 318 A HA 0.453 4.772 4.320 -0.001 0.000 0.208 318 A C 0.956 178.529 177.584 -0.018 0.000 1.177 318 A CA -0.269 51.759 52.037 -0.015 0.000 0.804 318 A CB -0.554 18.438 19.000 -0.014 0.000 0.823 318 A HN 0.579 nan 8.150 nan 0.000 0.482 319 L N 0.806 122.020 121.223 -0.016 0.000 2.499 319 L HA 0.056 4.396 4.340 -0.001 0.000 0.273 319 L C 1.775 178.631 176.870 -0.024 0.000 1.195 319 L CA 0.477 55.307 54.840 -0.017 0.000 0.882 319 L CB 0.890 42.944 42.059 -0.010 0.000 1.133 319 L HN 0.501 nan 8.230 nan 0.000 0.483 320 T N -1.769 112.762 114.554 -0.038 0.000 2.971 320 T HA 0.099 4.448 4.350 -0.001 0.000 0.252 320 T C 0.468 175.126 174.700 -0.071 0.000 1.022 320 T CA -0.243 61.816 62.100 -0.067 0.000 0.980 320 T CB 0.125 68.930 68.868 -0.106 0.000 1.044 320 T HN 0.437 nan 8.240 nan 0.000 0.501 321 N N 0.536 119.219 118.700 -0.028 0.000 2.480 321 N HA 0.532 5.272 4.740 -0.001 0.000 0.289 321 N C -2.053 173.483 175.510 0.043 0.000 1.073 321 N CA -0.774 52.298 53.050 0.036 0.000 0.885 321 N CB 1.797 40.307 38.487 0.039 0.000 1.421 321 N HN 0.266 nan 8.380 nan 0.000 0.503 322 L N 2.273 123.533 121.223 0.062 0.000 2.409 322 L HA 0.608 4.948 4.340 -0.001 0.000 0.272 322 L C -0.963 175.924 176.870 0.028 0.000 0.980 322 L CA -0.246 54.612 54.840 0.031 0.000 0.826 322 L CB 1.603 43.674 42.059 0.020 0.000 1.268 322 L HN 0.507 nan 8.230 nan 0.000 0.407 323 E N 6.036 126.231 120.200 -0.009 0.000 2.165 323 E HA 0.414 4.763 4.350 -0.001 0.000 0.266 323 E C -0.461 176.087 176.600 -0.086 0.000 0.889 323 E CA -0.277 56.092 56.400 -0.053 0.000 0.756 323 E CB 1.967 31.627 29.700 -0.067 0.000 1.131 323 E HN 0.664 nan 8.360 nan 0.000 0.411 324 L N 2.661 123.812 121.223 -0.119 0.000 3.333 324 L HA 0.108 4.448 4.340 -0.001 0.000 0.299 324 L C 0.392 177.143 176.870 -0.198 0.000 1.256 324 L CA -0.381 54.386 54.840 -0.122 0.000 1.037 324 L CB 0.103 42.118 42.059 -0.073 0.000 1.423 324 L HN 0.468 nan 8.230 nan 0.000 0.605 325 N N 1.047 119.528 118.700 -0.364 0.000 2.344 325 N HA -0.093 4.647 4.740 -0.001 0.000 0.236 325 N C -0.233 175.067 175.510 -0.350 0.000 1.279 325 N CA 0.125 52.808 53.050 -0.611 0.000 0.882 325 N CB 0.417 37.964 38.487 -1.567 0.000 1.110 325 N HN 0.155 nan 8.380 nan 0.000 0.436 326 E N -1.142 118.929 120.200 -0.216 0.000 2.246 326 E HA -0.196 4.154 4.350 -0.001 0.000 0.211 326 E C -0.745 175.817 176.600 -0.064 0.000 1.278 326 E CA 0.439 56.790 56.400 -0.082 0.000 0.694 326 E CB -1.017 28.599 29.700 -0.141 0.000 1.166 326 E HN 0.615 nan 8.360 nan 0.000 0.370 327 N N -0.187 118.494 118.700 -0.030 0.000 3.379 327 N HA 0.276 5.015 4.740 -0.001 0.000 0.350 327 N C -0.171 175.346 175.510 0.011 0.000 1.553 327 N CA -0.566 52.471 53.050 -0.022 0.000 0.712 327 N CB 0.751 39.212 38.487 -0.043 0.000 1.880 327 N HN 0.067 nan 8.380 nan 0.000 0.648 328 Q N 0.745 120.548 119.800 0.005 0.000 2.211 328 Q HA 0.421 4.761 4.340 -0.001 0.000 0.301 328 Q C -0.630 175.375 176.000 0.009 0.000 0.884 328 Q CA -0.125 55.687 55.803 0.015 0.000 1.115 328 Q CB 0.452 29.197 28.738 0.011 0.000 1.217 328 Q HN 0.280 nan 8.270 nan 0.000 0.451 329 L N 0.777 122.003 121.223 0.005 0.000 2.349 329 L HA 0.133 4.473 4.340 -0.001 0.000 0.275 329 L C 0.982 177.855 176.870 0.004 0.000 1.115 329 L CA 0.388 55.227 54.840 -0.001 0.000 0.820 329 L CB 0.865 42.917 42.059 -0.011 0.000 1.135 329 L HN 0.326 nan 8.230 nan 0.000 0.445 330 E N 0.445 120.645 120.200 -0.000 0.000 2.520 330 E HA 0.013 4.363 4.350 -0.001 0.000 0.201 330 E C -0.380 176.213 176.600 -0.011 0.000 0.894 330 E CA -0.185 56.214 56.400 -0.001 0.000 1.161 330 E CB 0.492 30.193 29.700 0.003 0.000 1.137 330 E HN 0.503 nan 8.360 nan 0.000 0.510 331 D N 1.659 122.051 120.400 -0.012 0.000 2.380 331 D HA 0.093 4.732 4.640 -0.001 0.000 0.230 331 D C 0.329 176.616 176.300 -0.022 0.000 1.154 331 D CA -0.276 53.713 54.000 -0.018 0.000 0.859 331 D CB 0.656 41.447 40.800 -0.014 0.000 1.045 331 D HN 0.211 nan 8.370 nan 0.000 0.495 332 I N 0.556 121.108 120.570 -0.029 0.000 3.891 332 I HA 0.171 4.341 4.170 -0.001 0.000 0.331 332 I C 1.156 177.254 176.117 -0.031 0.000 1.406 332 I CA -0.492 60.789 61.300 -0.032 0.000 1.139 332 I CB 0.264 38.239 38.000 -0.042 0.000 1.056 332 I HN 0.004 nan 8.210 nan 0.000 0.399 333 S N 2.657 118.341 115.700 -0.028 0.000 2.392 333 S HA -0.100 4.369 4.470 -0.001 0.000 0.232 333 S C -0.500 174.088 174.600 -0.021 0.000 1.041 333 S CA 1.940 60.125 58.200 -0.025 0.000 1.026 333 S CB -1.236 61.951 63.200 -0.021 0.000 0.845 333 S HN 0.468 nan 8.310 nan 0.000 0.465 334 P HA -0.046 nan 4.420 nan 0.000 0.221 334 P C 1.508 178.798 177.300 -0.015 0.000 1.145 334 P CA 0.725 63.816 63.100 -0.016 0.000 0.795 334 P CB -0.412 31.279 31.700 -0.015 0.000 0.775 335 I N -3.063 117.497 120.570 -0.017 0.000 2.614 335 I HA -0.147 4.023 4.170 -0.001 0.000 0.258 335 I C 1.445 177.554 176.117 -0.013 0.000 1.189 335 I CA 1.372 62.664 61.300 -0.014 0.000 1.462 335 I CB -0.929 37.062 38.000 -0.015 0.000 1.092 335 I HN -0.146 nan 8.210 nan 0.000 0.442 336 S N 1.036 116.726 115.700 -0.017 0.000 2.469 336 S HA -0.158 4.311 4.470 -0.001 0.000 0.238 336 S C 1.565 176.159 174.600 -0.011 0.000 0.998 336 S CA 1.597 59.788 58.200 -0.015 0.000 0.957 336 S CB -0.926 62.264 63.200 -0.018 0.000 0.764 336 S HN 0.616 nan 8.310 nan 0.000 0.514 337 N N 0.668 119.362 118.700 -0.011 0.000 2.446 337 N HA 0.170 4.909 4.740 -0.001 0.000 0.179 337 N C 0.121 175.626 175.510 -0.008 0.000 1.054 337 N CA 0.305 53.350 53.050 -0.009 0.000 0.905 337 N CB -0.109 38.372 38.487 -0.009 0.000 0.973 337 N HN 0.372 nan 8.380 nan 0.000 0.448 338 L N 1.894 123.112 121.223 -0.007 0.000 2.719 338 L HA 0.181 4.521 4.340 -0.001 0.000 0.236 338 L C 1.318 178.186 176.870 -0.003 0.000 1.285 338 L CA -0.274 54.563 54.840 -0.005 0.000 1.222 338 L CB 0.211 42.268 42.059 -0.004 0.000 1.493 338 L HN 0.218 nan 8.230 nan 0.000 0.415 339 K N -0.817 119.580 120.400 -0.005 0.000 2.439 339 K HA -0.070 4.249 4.320 -0.001 0.000 0.197 339 K C 0.573 177.171 176.600 -0.003 0.000 1.041 339 K CA 0.788 57.073 56.287 -0.003 0.000 0.970 339 K CB 0.159 32.656 32.500 -0.004 0.000 0.773 339 K HN 0.415 nan 8.250 nan 0.000 0.479 340 N N 1.187 119.883 118.700 -0.007 0.000 2.398 340 N HA 0.089 4.828 4.740 -0.001 0.000 0.188 340 N C 0.108 175.609 175.510 -0.016 0.000 1.122 340 N CA 0.050 53.092 53.050 -0.013 0.000 0.866 340 N CB 0.173 38.648 38.487 -0.018 0.000 0.970 340 N HN 0.209 nan 8.380 nan 0.000 0.462 341 L N 0.735 121.956 121.223 -0.003 0.000 2.499 341 L HA -0.001 4.339 4.340 -0.001 0.000 0.273 341 L C 1.330 178.210 176.870 0.016 0.000 1.195 341 L CA 0.319 55.163 54.840 0.007 0.000 0.882 341 L CB 0.699 42.775 42.059 0.029 0.000 1.133 341 L HN 0.001 nan 8.230 nan 0.000 0.483 342 T N 1.359 115.910 114.554 -0.006 0.000 2.999 342 T HA 0.164 4.513 4.350 -0.001 0.000 0.247 342 T C -0.500 174.343 174.700 0.239 0.000 1.012 342 T CA 0.393 62.498 62.100 0.007 0.000 1.048 342 T CB 0.237 68.992 68.868 -0.190 0.000 1.020 342 T HN 0.173 nan 8.240 nan 0.000 0.478 343 Y N 0.801 121.146 120.300 0.075 0.000 2.425 343 Y HA 0.777 5.327 4.550 -0.001 0.000 0.344 343 Y C -0.729 175.232 175.900 0.102 0.000 0.969 343 Y CA -2.824 55.341 58.100 0.110 0.000 1.052 343 Y CB 1.452 39.977 38.460 0.109 0.000 1.215 343 Y HN -0.054 nan 8.280 nan 0.000 0.451 344 L N 3.460 124.861 121.223 0.297 0.000 2.516 344 L HA 0.708 5.047 4.340 -0.001 0.000 0.267 344 L C -0.578 176.446 176.870 0.258 0.000 0.957 344 L CA -0.339 54.624 54.840 0.204 0.000 0.860 344 L CB 2.002 44.146 42.059 0.142 0.000 1.265 344 L HN 0.697 nan 8.230 nan 0.000 0.403 345 T N 2.391 117.041 114.554 0.159 0.000 2.823 345 T HA 0.706 5.055 4.350 -0.001 0.000 0.279 345 T C 0.173 174.865 174.700 -0.012 0.000 0.998 345 T CA -0.539 61.637 62.100 0.126 0.000 0.994 345 T CB 1.352 70.197 68.868 -0.038 0.000 0.960 345 T HN 0.601 nan 8.240 nan 0.000 0.448 346 L N 1.117 122.346 121.223 0.011 0.000 3.520 346 L HA 0.270 4.610 4.340 -0.001 0.000 0.323 346 L C -0.275 176.570 176.870 -0.043 0.000 1.246 346 L CA -1.024 53.800 54.840 -0.027 0.000 1.085 346 L CB 0.089 42.193 42.059 0.074 0.000 1.477 346 L HN 0.812 nan 8.230 nan 0.000 0.624 347 Y N -1.507 118.717 120.300 -0.126 0.000 2.578 347 Y HA 0.306 4.855 4.550 -0.001 0.000 0.339 347 Y C 0.291 176.184 175.900 -0.012 0.000 1.231 347 Y CA -1.040 56.883 58.100 -0.295 0.000 1.461 347 Y CB -0.261 37.549 38.460 -1.084 0.000 1.323 347 Y HN 0.060 nan 8.280 nan 0.000 0.590 348 F N 1.852 121.838 119.950 0.061 0.000 2.695 348 F HA -0.288 4.239 4.527 -0.001 0.000 0.305 348 F C -0.246 175.547 175.800 -0.012 0.000 1.044 348 F CA 0.802 58.832 58.000 0.050 0.000 1.049 348 F CB -1.099 37.949 39.000 0.081 0.000 1.267 348 F HN 0.797 nan 8.300 nan 0.000 0.828 349 N N -0.121 118.638 118.700 0.100 0.000 3.379 349 N HA 0.338 5.077 4.740 -0.001 0.000 0.350 349 N C -0.087 175.458 175.510 0.058 0.000 1.553 349 N CA -0.691 52.402 53.050 0.071 0.000 0.712 349 N CB 0.854 39.359 38.487 0.031 0.000 1.880 349 N HN 0.140 nan 8.380 nan 0.000 0.648 350 N N 0.361 119.087 118.700 0.044 0.000 2.467 350 N HA 0.380 5.119 4.740 -0.001 0.000 0.278 350 N C -1.163 174.366 175.510 0.031 0.000 1.306 350 N CA -0.112 52.962 53.050 0.040 0.000 0.905 350 N CB -0.180 38.329 38.487 0.037 0.000 1.236 350 N HN 0.389 nan 8.380 nan 0.000 0.509 351 I N 0.296 120.886 120.570 0.033 0.000 2.416 351 I HA 0.099 4.268 4.170 -0.001 0.000 0.288 351 I C 1.074 177.203 176.117 0.021 0.000 1.051 351 I CA -0.042 61.267 61.300 0.015 0.000 1.375 351 I CB 1.413 39.413 38.000 -0.000 0.000 1.407 351 I HN 0.091 nan 8.210 nan 0.000 0.516 352 S N 2.520 118.223 115.700 0.003 0.000 2.460 352 S HA -0.015 4.454 4.470 -0.001 0.000 0.226 352 S C 0.478 175.062 174.600 -0.028 0.000 1.057 352 S CA 0.324 58.525 58.200 0.002 0.000 0.948 352 S CB 0.062 63.263 63.200 0.002 0.000 0.822 352 S HN 0.702 nan 8.310 nan 0.000 0.512 353 D N 1.072 121.446 120.400 -0.044 0.000 2.467 353 D HA 0.269 4.909 4.640 -0.001 0.000 0.220 353 D C 0.247 176.483 176.300 -0.108 0.000 1.103 353 D CA -0.325 53.637 54.000 -0.065 0.000 0.886 353 D CB 0.567 41.339 40.800 -0.048 0.000 1.025 353 D HN -0.018 nan 8.370 nan 0.000 0.514 354 I N 2.805 123.275 120.570 -0.167 0.000 3.428 354 I HA -0.114 4.056 4.170 -0.001 0.000 0.286 354 I C 2.049 178.048 176.117 -0.197 0.000 1.287 354 I CA 0.658 61.795 61.300 -0.271 0.000 1.396 354 I CB -0.192 37.483 38.000 -0.541 0.000 1.062 354 I HN 0.415 nan 8.210 nan 0.000 0.471 355 S N 0.840 116.464 115.700 -0.128 0.000 2.419 355 S HA -0.043 4.426 4.470 -0.001 0.000 0.235 355 S C -0.321 174.234 174.600 -0.075 0.000 1.019 355 S CA 0.776 58.921 58.200 -0.092 0.000 0.982 355 S CB -1.910 61.251 63.200 -0.064 0.000 0.789 355 S HN 0.294 nan 8.310 nan 0.000 0.490 356 P HA -0.073 nan 4.420 nan 0.000 0.218 356 P C 1.857 179.127 177.300 -0.051 0.000 1.146 356 P CA 1.302 64.370 63.100 -0.054 0.000 0.813 356 P CB -0.446 31.224 31.700 -0.050 0.000 0.778 357 V N -2.143 117.728 119.914 -0.071 0.000 2.913 357 V HA -0.177 3.942 4.120 -0.001 0.000 0.260 357 V C 2.052 178.126 176.094 -0.034 0.000 1.098 357 V CA 2.065 64.334 62.300 -0.053 0.000 1.121 357 V CB -1.885 29.893 31.823 -0.074 0.000 0.714 357 V HN 0.200 nan 8.190 nan 0.000 0.487 358 S N 0.337 116.014 115.700 -0.040 0.000 2.507 358 S HA -0.089 4.380 4.470 -0.001 0.000 0.235 358 S C 1.749 176.340 174.600 -0.015 0.000 0.988 358 S CA 1.284 59.470 58.200 -0.025 0.000 0.944 358 S CB -0.740 62.443 63.200 -0.028 0.000 0.762 358 S HN 0.638 nan 8.310 nan 0.000 0.526 359 S N 1.208 116.898 115.700 -0.016 0.000 2.561 359 S HA 0.282 4.751 4.470 -0.001 0.000 0.225 359 S C 0.477 175.075 174.600 -0.004 0.000 0.977 359 S CA 0.213 58.407 58.200 -0.010 0.000 0.926 359 S CB -0.354 62.838 63.200 -0.013 0.000 0.769 359 S HN 0.536 nan 8.310 nan 0.000 0.533 360 L N 2.661 123.884 121.223 0.001 0.000 2.494 360 L HA 0.235 4.574 4.340 -0.001 0.000 0.251 360 L C 1.682 178.561 176.870 0.016 0.000 1.119 360 L CA -0.397 54.449 54.840 0.010 0.000 1.026 360 L CB 0.132 42.202 42.059 0.018 0.000 1.370 360 L HN 0.208 nan 8.230 nan 0.000 0.426 361 T N -2.436 112.125 114.554 0.012 0.000 2.881 361 T HA -0.162 4.188 4.350 -0.001 0.000 0.270 361 T C 1.432 176.145 174.700 0.022 0.000 1.068 361 T CA 0.943 63.052 62.100 0.014 0.000 1.131 361 T CB -0.077 68.797 68.868 0.009 0.000 0.871 361 T HN 0.428 nan 8.240 nan 0.000 0.479 362 K N 0.416 120.830 120.400 0.023 0.000 2.487 362 K HA 0.272 4.591 4.320 -0.001 0.000 0.192 362 K C 0.300 176.930 176.600 0.051 0.000 1.027 362 K CA -0.359 55.945 56.287 0.028 0.000 1.054 362 K CB -0.202 32.306 32.500 0.013 0.000 0.824 362 K HN 0.270 nan 8.250 nan 0.000 0.510 363 L N 1.921 123.179 121.223 0.059 0.000 2.559 363 L HA -0.106 4.234 4.340 -0.001 0.000 0.274 363 L C 0.875 177.814 176.870 0.116 0.000 1.205 363 L CA 0.989 55.884 54.840 0.092 0.000 0.907 363 L CB 0.523 42.629 42.059 0.078 0.000 1.153 363 L HN 0.141 nan 8.230 nan 0.000 0.490 364 Q N 4.085 123.995 119.800 0.183 0.000 2.431 364 Q HA 0.278 4.618 4.340 -0.001 0.000 0.244 364 Q C -0.222 175.893 176.000 0.191 0.000 0.880 364 Q CA 0.272 56.198 55.803 0.204 0.000 0.954 364 Q CB 0.741 29.653 28.738 0.290 0.000 1.105 364 Q HN 0.566 nan 8.270 nan 0.000 0.558 365 R N 0.795 121.414 120.500 0.198 0.000 2.514 365 R HA 0.506 4.846 4.340 -0.001 0.000 0.296 365 R C -1.781 174.508 176.300 -0.018 0.000 1.012 365 R CA -0.627 55.485 56.100 0.020 0.000 0.897 365 R CB 2.077 32.348 30.300 -0.048 0.000 1.184 365 R HN -0.081 nan 8.270 nan 0.000 0.440 366 L N 4.068 125.144 121.223 -0.244 0.000 2.446 366 L HA 0.540 4.879 4.340 -0.001 0.000 0.268 366 L C -1.840 174.902 176.870 -0.212 0.000 0.975 366 L CA -0.381 54.436 54.840 -0.039 0.000 0.848 366 L CB 1.120 43.245 42.059 0.110 0.000 1.225 366 L HN 0.486 nan 8.230 nan 0.000 0.410 367 F N 6.218 126.263 119.950 0.159 0.000 2.458 367 F HA 0.590 5.116 4.527 -0.001 0.000 0.336 367 F C 0.110 176.047 175.800 0.229 0.000 1.114 367 F CA -0.486 57.597 58.000 0.138 0.000 0.987 367 F CB 1.415 40.471 39.000 0.092 0.000 1.130 367 F HN 0.495 nan 8.300 nan 0.000 0.458 368 F N 0.964 121.019 119.950 0.175 0.000 2.656 368 F HA 0.345 4.872 4.527 -0.001 0.000 0.363 368 F C -0.846 175.015 175.800 0.102 0.000 1.313 368 F CA -1.372 56.676 58.000 0.080 0.000 1.089 368 F CB -1.198 37.842 39.000 0.066 0.000 1.247 368 F HN 0.314 nan 8.300 nan 0.000 0.509 369 Y N -0.103 120.212 120.300 0.025 0.000 2.683 369 Y HA 0.362 4.912 4.550 -0.001 0.000 0.340 369 Y C 0.636 176.546 175.900 0.017 0.000 1.245 369 Y CA -0.638 57.455 58.100 -0.012 0.000 1.485 369 Y CB -0.185 38.266 38.460 -0.014 0.000 1.328 369 Y HN 0.397 nan 8.280 nan 0.000 0.603 370 N N 1.182 119.932 118.700 0.083 0.000 2.725 370 N HA -0.221 4.519 4.740 -0.001 0.000 0.256 370 N C -1.355 174.085 175.510 -0.116 0.000 1.087 370 N CA 0.869 53.787 53.050 -0.220 0.000 0.690 370 N CB -1.093 36.817 38.487 -0.962 0.000 0.891 370 N HN 0.771 nan 8.380 nan 0.000 0.553 371 N N -0.053 118.678 118.700 0.051 0.000 3.479 371 N HA 0.381 5.121 4.740 -0.001 0.000 0.336 371 N C -0.330 175.248 175.510 0.113 0.000 1.623 371 N CA -0.607 52.500 53.050 0.095 0.000 0.759 371 N CB 0.844 39.443 38.487 0.187 0.000 2.016 371 N HN 0.076 nan 8.380 nan 0.000 0.637 372 K N 0.836 121.302 120.400 0.111 0.000 2.758 372 K HA 0.330 4.649 4.320 -0.001 0.000 0.208 372 K C -0.702 175.954 176.600 0.093 0.000 1.091 372 K CA -0.097 56.249 56.287 0.097 0.000 1.059 372 K CB 0.981 33.521 32.500 0.067 0.000 0.801 372 K HN 0.141 nan 8.250 nan 0.000 0.470 373 V N 2.200 122.200 119.914 0.143 0.000 2.488 373 V HA -0.010 4.109 4.120 -0.001 0.000 0.277 373 V C 1.211 177.364 176.094 0.097 0.000 1.046 373 V CA 0.282 62.657 62.300 0.124 0.000 0.986 373 V CB 1.262 33.219 31.823 0.223 0.000 0.989 373 V HN 0.424 nan 8.190 nan 0.000 0.475 374 S N 1.373 117.082 115.700 0.015 0.000 2.603 374 S HA 0.210 4.679 4.470 -0.001 0.000 0.232 374 S C 0.107 174.671 174.600 -0.060 0.000 1.016 374 S CA -0.270 57.893 58.200 -0.062 0.000 0.976 374 S CB 0.300 63.422 63.200 -0.131 0.000 0.921 374 S HN 0.718 nan 8.310 nan 0.000 0.516 375 D N 1.520 121.908 120.400 -0.020 0.000 2.736 375 D HA 0.319 4.958 4.640 -0.001 0.000 0.243 375 D C 0.162 176.460 176.300 -0.004 0.000 1.304 375 D CA -0.554 53.431 54.000 -0.025 0.000 0.934 375 D CB 2.198 42.975 40.800 -0.039 0.000 1.382 375 D HN 0.092 nan 8.370 nan 0.000 0.571 376 V N 1.857 121.777 119.914 0.011 0.000 3.271 376 V HA 0.180 4.300 4.120 -0.001 0.000 0.327 376 V C 1.594 177.688 176.094 0.001 0.000 1.389 376 V CA 0.585 62.901 62.300 0.027 0.000 1.156 376 V CB -0.346 31.530 31.823 0.089 0.000 1.103 376 V HN 0.460 nan 8.190 nan 0.000 0.453 377 S N 1.830 117.521 115.700 -0.015 0.000 2.400 377 S HA -0.225 4.245 4.470 -0.001 0.000 0.232 377 S C 1.982 176.571 174.600 -0.018 0.000 1.025 377 S CA 1.793 59.983 58.200 -0.017 0.000 0.993 377 S CB -0.929 62.259 63.200 -0.020 0.000 0.808 377 S HN 1.079 nan 8.310 nan 0.000 0.478 378 S N 1.626 117.310 115.700 -0.028 0.000 2.555 378 S HA 0.183 4.652 4.470 -0.001 0.000 0.230 378 S C 1.533 176.118 174.600 -0.025 0.000 0.978 378 S CA 0.410 58.590 58.200 -0.032 0.000 0.934 378 S CB -0.759 62.410 63.200 -0.051 0.000 0.766 378 S HN 0.591 nan 8.310 nan 0.000 0.533 379 L N 0.428 121.644 121.223 -0.013 0.000 2.558 379 L HA 0.311 4.651 4.340 -0.001 0.000 0.225 379 L C 2.762 179.637 176.870 0.009 0.000 1.128 379 L CA 0.510 55.353 54.840 0.005 0.000 0.868 379 L CB -0.600 41.482 42.059 0.039 0.000 1.006 379 L HN 0.412 nan 8.230 nan 0.000 0.454 380 A N 0.497 123.318 122.820 0.001 0.000 2.019 380 A HA -0.199 4.121 4.320 -0.001 0.000 0.219 380 A C 1.868 179.453 177.584 0.002 0.000 1.164 380 A CA 1.758 53.795 52.037 -0.000 0.000 0.644 380 A CB -0.391 18.606 19.000 -0.005 0.000 0.805 380 A HN 0.401 nan 8.150 nan 0.000 0.449 381 N N -0.582 118.119 118.700 0.002 0.000 2.214 381 N HA 0.190 4.930 4.740 -0.001 0.000 0.214 381 N C -0.193 175.322 175.510 0.009 0.000 1.132 381 N CA -0.063 52.990 53.050 0.004 0.000 0.856 381 N CB -0.228 38.260 38.487 0.001 0.000 1.020 381 N HN 0.361 nan 8.380 nan 0.000 0.509 382 L N 0.843 122.074 121.223 0.013 0.000 2.416 382 L HA 0.119 4.458 4.340 -0.001 0.000 0.243 382 L C 1.047 177.932 176.870 0.025 0.000 1.373 382 L CA 0.019 54.872 54.840 0.021 0.000 1.227 382 L CB -0.337 41.739 42.059 0.028 0.000 1.428 382 L HN 0.034 nan 8.230 nan 0.000 0.425 383 T N -0.773 113.793 114.554 0.020 0.000 3.072 383 T HA -0.035 4.315 4.350 -0.001 0.000 0.266 383 T C 1.552 176.267 174.700 0.025 0.000 1.127 383 T CA 0.744 62.855 62.100 0.018 0.000 1.107 383 T CB -0.157 68.719 68.868 0.012 0.000 0.910 383 T HN 0.453 nan 8.240 nan 0.000 0.513 384 N N 1.031 119.751 118.700 0.034 0.000 2.398 384 N HA 0.147 4.887 4.740 -0.001 0.000 0.188 384 N C 0.270 175.816 175.510 0.061 0.000 1.122 384 N CA 0.096 53.173 53.050 0.046 0.000 0.866 384 N CB 0.194 38.710 38.487 0.048 0.000 0.970 384 N HN 0.450 nan 8.380 nan 0.000 0.462 385 I N 1.483 122.086 120.570 0.055 0.000 2.598 385 I HA -0.060 4.110 4.170 -0.001 0.000 0.284 385 I C 0.928 177.081 176.117 0.059 0.000 1.140 385 I CA 0.338 61.677 61.300 0.066 0.000 1.420 385 I CB 0.411 38.444 38.000 0.056 0.000 1.387 385 I HN 0.038 nan 8.210 nan 0.000 0.553 386 N N 4.688 123.440 118.700 0.087 0.000 2.414 386 N HA 0.042 4.781 4.740 -0.001 0.000 0.177 386 N C -0.422 175.131 175.510 0.071 0.000 1.062 386 N CA 0.047 53.138 53.050 0.068 0.000 0.890 386 N CB 0.430 38.978 38.487 0.101 0.000 1.070 386 N HN 0.513 nan 8.380 nan 0.000 0.454 387 W N 1.860 123.095 121.300 -0.107 0.000 2.647 387 W HA 0.518 5.178 4.660 -0.001 0.000 0.328 387 W C -1.864 174.462 176.519 -0.322 0.000 1.018 387 W CA -1.135 56.084 57.345 -0.209 0.000 1.245 387 W CB 0.913 30.222 29.460 -0.251 0.000 1.356 387 W HN -0.239 nan 8.180 nan 0.000 0.443 388 L N 5.303 126.616 121.223 0.149 0.000 2.372 388 L HA 0.549 4.889 4.340 -0.001 0.000 0.274 388 L C -0.905 175.974 176.870 0.016 0.000 0.988 388 L CA 0.022 54.865 54.840 0.005 0.000 0.833 388 L CB 1.898 43.973 42.059 0.026 0.000 1.236 388 L HN 0.222 nan 8.230 nan 0.000 0.410 389 S N 3.695 119.338 115.700 -0.096 0.000 2.659 389 S HA 0.848 5.317 4.470 -0.001 0.000 0.312 389 S C 0.023 174.567 174.600 -0.095 0.000 1.114 389 S CA 0.232 58.458 58.200 0.042 0.000 1.063 389 S CB 1.235 64.609 63.200 0.290 0.000 0.996 389 S HN 0.888 nan 8.310 nan 0.000 0.478 390 A N 3.591 126.294 122.820 -0.195 0.000 2.524 390 A HA 0.591 4.911 4.320 -0.001 0.000 0.267 390 A C 0.717 178.230 177.584 -0.118 0.000 0.881 390 A CA -0.054 51.684 52.037 -0.498 0.000 1.077 390 A CB -0.321 18.177 19.000 -0.835 0.000 1.220 390 A HN 0.923 nan 8.150 nan 0.000 0.488 391 G N -1.040 107.780 108.800 0.033 0.000 2.664 391 G HA2 0.356 4.315 3.960 -0.001 0.000 0.242 391 G HA3 0.356 4.315 3.960 -0.001 0.000 0.242 391 G C 0.432 175.456 174.900 0.207 0.000 1.225 391 G CA 0.285 45.451 45.100 0.111 0.000 0.849 391 G HN 0.636 nan 8.290 nan 0.000 0.581 392 H N -0.381 118.718 119.070 0.048 0.000 2.692 392 H HA -0.135 4.420 4.556 -0.001 0.000 0.316 392 H C 0.550 175.917 175.328 0.066 0.000 1.176 392 H CA 1.113 57.182 56.048 0.036 0.000 1.142 392 H CB -0.995 28.756 29.762 -0.019 0.000 1.475 392 H HN 0.535 nan 8.280 nan 0.000 0.423 393 N N 0.098 118.906 118.700 0.180 0.000 3.178 393 N HA 0.218 4.958 4.740 -0.001 0.000 0.352 393 N C 0.547 176.200 175.510 0.238 0.000 1.423 393 N CA -0.504 52.666 53.050 0.200 0.000 0.698 393 N CB 0.733 39.355 38.487 0.226 0.000 1.400 393 N HN 0.273 nan 8.380 nan 0.000 0.586 394 Q N 0.689 120.620 119.800 0.218 0.000 2.158 394 Q HA 0.434 4.773 4.340 -0.001 0.000 0.306 394 Q C -0.726 175.262 176.000 -0.019 0.000 0.878 394 Q CA -0.101 55.824 55.803 0.203 0.000 1.136 394 Q CB 0.599 29.382 28.738 0.076 0.000 1.253 394 Q HN 0.408 nan 8.270 nan 0.000 0.441 395 I N 1.329 122.012 120.570 0.189 0.000 2.416 395 I HA 0.012 4.182 4.170 -0.001 0.000 0.288 395 I C 1.159 177.442 176.117 0.276 0.000 1.051 395 I CA 0.212 61.609 61.300 0.162 0.000 1.375 395 I CB 1.304 39.444 38.000 0.232 0.000 1.407 395 I HN 0.203 nan 8.210 nan 0.000 0.516 396 S N 2.216 117.936 115.700 0.034 0.000 2.559 396 S HA 0.163 4.633 4.470 -0.001 0.000 0.226 396 S C 0.075 174.788 174.600 0.188 0.000 1.030 396 S CA -0.329 57.938 58.200 0.112 0.000 0.956 396 S CB 0.288 63.340 63.200 -0.247 0.000 0.900 396 S HN 0.661 nan 8.310 nan 0.000 0.510 397 D N 0.784 121.230 120.400 0.076 0.000 2.602 397 D HA 0.349 4.988 4.640 -0.001 0.000 0.245 397 D C 0.311 176.561 176.300 -0.084 0.000 1.325 397 D CA -0.459 53.545 54.000 0.006 0.000 0.952 397 D CB 1.153 41.946 40.800 -0.012 0.000 1.317 397 D HN 0.150 nan 8.370 nan 0.000 0.577 398 L N 2.519 123.645 121.223 -0.162 0.000 2.591 398 L HA 0.031 4.371 4.340 -0.001 0.000 0.228 398 L C 2.294 179.099 176.870 -0.108 0.000 1.133 398 L CA 0.662 55.371 54.840 -0.218 0.000 0.880 398 L CB -0.350 41.497 42.059 -0.353 0.000 1.033 398 L HN 0.481 nan 8.230 nan 0.000 0.450 399 T N -1.798 112.719 114.554 -0.062 0.000 2.737 399 T HA -0.126 4.224 4.350 -0.001 0.000 0.269 399 T C -0.462 174.218 174.700 -0.032 0.000 1.040 399 T CA 0.884 62.962 62.100 -0.037 0.000 1.142 399 T CB -1.624 67.233 68.868 -0.020 0.000 0.861 399 T HN 0.184 nan 8.240 nan 0.000 0.456 400 P HA 0.156 nan 4.420 nan 0.000 0.228 400 P C 1.130 178.419 177.300 -0.019 0.000 1.151 400 P CA 0.608 63.696 63.100 -0.021 0.000 0.770 400 P CB -0.281 31.409 31.700 -0.017 0.000 0.786 401 L N -1.990 119.214 121.223 -0.031 0.000 2.592 401 L HA 0.189 4.528 4.340 -0.001 0.000 0.227 401 L C 2.138 178.992 176.870 -0.026 0.000 1.127 401 L CA 0.227 55.050 54.840 -0.028 0.000 0.884 401 L CB -0.679 41.351 42.059 -0.048 0.000 1.065 401 L HN -0.058 nan 8.230 nan 0.000 0.457 402 A N 0.528 123.333 122.820 -0.025 0.000 2.019 402 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 402 A C 1.721 179.297 177.584 -0.014 0.000 1.164 402 A CA 1.352 53.377 52.037 -0.021 0.000 0.644 402 A CB -0.273 18.716 19.000 -0.017 0.000 0.805 402 A HN 0.413 nan 8.150 nan 0.000 0.449 403 N N -0.117 118.577 118.700 -0.010 0.000 2.268 403 N HA 0.152 4.891 4.740 -0.001 0.000 0.204 403 N C -0.044 175.464 175.510 -0.004 0.000 1.124 403 N CA 0.148 53.194 53.050 -0.006 0.000 0.838 403 N CB 0.236 38.720 38.487 -0.004 0.000 0.994 403 N HN 0.424 nan 8.380 nan 0.000 0.489 404 L N 1.653 122.872 121.223 -0.005 0.000 2.727 404 L HA 0.119 4.458 4.340 -0.001 0.000 0.237 404 L C 1.312 178.178 176.870 -0.006 0.000 1.370 404 L CA -0.012 54.827 54.840 -0.001 0.000 1.248 404 L CB -0.693 41.367 42.059 0.002 0.000 1.556 404 L HN 0.063 nan 8.230 nan 0.000 0.420 405 T N -4.257 110.294 114.554 -0.006 0.000 3.160 405 T HA 0.000 4.349 4.350 -0.001 0.000 0.257 405 T C 1.671 176.365 174.700 -0.010 0.000 1.147 405 T CA 0.043 62.137 62.100 -0.010 0.000 1.064 405 T CB -0.041 68.823 68.868 -0.008 0.000 0.949 405 T HN 0.247 nan 8.240 nan 0.000 0.526 406 R N 0.550 121.047 120.500 -0.004 0.000 2.310 406 R HA 0.377 4.716 4.340 -0.001 0.000 0.202 406 R C 0.653 176.946 176.300 -0.011 0.000 0.933 406 R CA -0.242 55.857 56.100 -0.002 0.000 1.054 406 R CB -0.520 29.787 30.300 0.013 0.000 0.985 406 R HN 0.490 nan 8.270 nan 0.000 0.489 407 I N 1.706 122.264 120.570 -0.019 0.000 2.775 407 I HA -0.136 4.034 4.170 -0.001 0.000 0.290 407 I C 1.553 177.624 176.117 -0.077 0.000 1.203 407 I CA 0.900 62.175 61.300 -0.042 0.000 1.433 407 I CB 0.920 38.896 38.000 -0.041 0.000 1.354 407 I HN 0.137 nan 8.210 nan 0.000 0.579 408 T N 1.634 116.109 114.554 -0.131 0.000 2.958 408 T HA 0.226 4.575 4.350 -0.001 0.000 0.256 408 T C 0.450 174.959 174.700 -0.318 0.000 0.983 408 T CA -0.254 61.734 62.100 -0.186 0.000 0.924 408 T CB 0.575 69.343 68.868 -0.166 0.000 1.136 408 T HN 0.482 nan 8.240 nan 0.000 0.506 409 Q N 0.667 120.198 119.800 -0.450 0.000 2.331 409 Q HA 0.713 5.052 4.340 -0.001 0.000 0.272 409 Q C -1.980 173.804 176.000 -0.359 0.000 1.062 409 Q CA -0.651 54.753 55.803 -0.666 0.000 0.806 409 Q CB 3.037 30.717 28.738 -1.763 0.000 1.312 409 Q HN 0.335 nan 8.270 nan 0.000 0.431 410 L N 0.293 121.414 121.223 -0.171 0.000 2.445 410 L HA 0.857 5.196 4.340 -0.001 0.000 0.262 410 L C -1.128 175.753 176.870 0.018 0.000 0.974 410 L CA -0.103 54.715 54.840 -0.036 0.000 0.822 410 L CB 2.474 44.503 42.059 -0.050 0.000 1.339 410 L HN 0.620 nan 8.230 nan 0.000 0.409 411 G N 4.255 113.082 108.800 0.044 0.000 2.739 411 G HA2 0.580 4.540 3.960 -0.001 0.000 0.291 411 G HA3 0.580 4.540 3.960 -0.001 0.000 0.291 411 G C -0.804 174.110 174.900 0.023 0.000 1.478 411 G CA -0.282 44.840 45.100 0.036 0.000 1.062 411 G HN 0.604 nan 8.290 nan 0.000 0.532 412 L N 2.279 123.539 121.223 0.062 0.000 3.429 412 L HA 0.215 4.555 4.340 -0.001 0.000 0.311 412 L C 0.416 177.405 176.870 0.198 0.000 1.274 412 L CA -0.654 54.266 54.840 0.134 0.000 1.037 412 L CB 0.231 42.380 42.059 0.150 0.000 1.433 412 L HN 0.606 nan 8.230 nan 0.000 0.614 413 N N -0.220 118.534 118.700 0.090 0.000 2.525 413 N HA 0.029 4.768 4.740 -0.001 0.000 0.271 413 N C -0.500 174.958 175.510 -0.086 0.000 1.194 413 N CA -0.035 53.022 53.050 0.012 0.000 0.964 413 N CB 1.002 39.484 38.487 -0.009 0.000 1.126 413 N HN 0.027 nan 8.380 nan 0.000 0.452 414 D N -0.408 119.851 120.400 -0.234 0.000 2.775 414 D HA -0.123 4.517 4.640 -0.001 0.000 0.235 414 D C -0.540 175.487 176.300 -0.455 0.000 1.120 414 D CA 0.647 54.376 54.000 -0.452 0.000 0.708 414 D CB -0.771 39.649 40.800 -0.634 0.000 1.084 414 D HN 0.604 nan 8.370 nan 0.000 0.434 415 Q N -0.234 119.456 119.800 -0.183 0.000 2.361 415 Q HA 0.493 4.832 4.340 -0.001 0.000 0.276 415 Q C 0.415 176.372 176.000 -0.071 0.000 1.022 415 Q CA 0.466 56.302 55.803 0.055 0.000 0.898 415 Q CB 1.157 30.149 28.738 0.423 0.000 1.246 415 Q HN 0.456 nan 8.270 nan 0.000 0.410 416 A N 2.517 125.385 122.820 0.080 0.000 2.459 416 A HA 0.727 5.046 4.320 -0.001 0.000 0.296 416 A C -1.717 175.985 177.584 0.197 0.000 1.039 416 A CA -0.799 51.203 52.037 -0.058 0.000 0.698 416 A CB 0.999 19.939 19.000 -0.100 0.000 1.261 416 A HN 0.740 nan 8.150 nan 0.000 0.405 417 W N 0.162 121.439 121.300 -0.037 0.000 3.213 417 W HA 0.723 5.382 4.660 -0.001 0.000 0.318 417 W C -1.181 175.323 176.519 -0.025 0.000 1.248 417 W CA -0.718 56.619 57.345 -0.014 0.000 1.187 417 W CB 0.879 30.346 29.460 0.012 0.000 1.403 417 W HN 0.474 nan 8.180 nan 0.000 0.556 418 T N 3.007 117.681 114.554 0.201 0.000 2.756 418 T HA 0.250 4.600 4.350 -0.001 0.000 0.290 418 T C -0.374 174.439 174.700 0.189 0.000 0.985 418 T CA -0.401 61.755 62.100 0.095 0.000 0.955 418 T CB 0.321 69.223 68.868 0.057 0.000 0.930 418 T HN 0.535 nan 8.240 nan 0.000 0.451 419 N N 1.332 120.134 118.700 0.169 0.000 2.424 419 N HA 0.551 5.290 4.740 -0.001 0.000 0.257 419 N C 0.291 175.879 175.510 0.129 0.000 1.250 419 N CA -0.709 52.477 53.050 0.228 0.000 0.946 419 N CB 0.552 39.177 38.487 0.230 0.000 1.175 419 N HN 0.691 nan 8.380 nan 0.000 0.477 420 A N 1.630 124.523 122.820 0.121 0.000 2.366 420 A HA 0.347 4.667 4.320 -0.001 0.000 0.249 420 A C -2.321 175.298 177.584 0.058 0.000 1.084 420 A CA -1.051 51.033 52.037 0.078 0.000 0.794 420 A CB -0.045 18.997 19.000 0.070 0.000 1.034 420 A HN 0.505 nan 8.150 nan 0.000 0.491 421 P HA 0.311 nan 4.420 nan 0.000 0.268 421 P C -0.986 176.331 177.300 0.028 0.000 1.205 421 P CA 0.085 63.204 63.100 0.032 0.000 0.771 421 P CB 0.727 32.447 31.700 0.034 0.000 0.858 422 V N 3.262 123.185 119.914 0.014 0.000 2.569 422 V HA 0.248 4.367 4.120 -0.001 0.000 0.301 422 V C 0.174 176.281 176.094 0.023 0.000 1.044 422 V CA -0.901 61.406 62.300 0.011 0.000 0.874 422 V CB 1.656 33.473 31.823 -0.011 0.000 1.002 422 V HN 0.600 nan 8.190 nan 0.000 0.424 423 N N 3.335 122.058 118.700 0.038 0.000 2.458 423 N HA -0.008 4.732 4.740 -0.001 0.000 0.258 423 N C -0.519 175.043 175.510 0.086 0.000 1.219 423 N CA -0.251 52.843 53.050 0.073 0.000 0.902 423 N CB 0.652 39.175 38.487 0.060 0.000 1.076 423 N HN 0.716 nan 8.380 nan 0.000 0.455 424 Y N 4.128 124.452 120.300 0.041 0.000 2.632 424 Y HA 0.013 4.562 4.550 -0.001 0.000 0.329 424 Y C 0.100 176.025 175.900 0.041 0.000 1.174 424 Y CA 0.673 58.796 58.100 0.038 0.000 1.469 424 Y CB 0.501 39.042 38.460 0.136 0.000 1.242 424 Y HN 0.524 nan 8.280 nan 0.000 0.540 425 K N 3.725 123.709 120.400 -0.693 0.000 2.201 425 K HA 0.737 5.056 4.320 -0.001 0.000 0.267 425 K C 0.143 176.111 176.600 -1.054 0.000 0.975 425 K CA -0.443 55.439 56.287 -0.675 0.000 1.293 425 K CB 0.573 32.906 32.500 -0.278 0.000 3.096 425 K HN 0.512 nan 8.250 nan 0.000 1.038 426 A N 0.754 123.304 122.820 -0.450 0.000 2.508 426 A HA 0.153 4.473 4.320 -0.001 0.000 0.250 426 A C -0.647 176.895 177.584 -0.071 0.000 1.208 426 A CA -0.070 51.824 52.037 -0.239 0.000 0.960 426 A CB -0.162 18.775 19.000 -0.104 0.000 1.099 426 A HN 0.653 nan 8.150 nan 0.000 0.542 427 N N -0.353 118.308 118.700 -0.065 0.000 2.685 427 N HA 0.391 5.130 4.740 -0.001 0.000 0.252 427 N C -1.213 174.357 175.510 0.100 0.000 1.261 427 N CA -0.345 52.735 53.050 0.050 0.000 0.768 427 N CB 0.509 39.015 38.487 0.032 0.000 1.304 427 N HN -0.139 nan 8.380 nan 0.000 0.536 428 V N 0.340 120.379 119.914 0.209 0.000 2.614 428 V HA 0.636 4.755 4.120 -0.001 0.000 0.291 428 V C 0.318 176.736 176.094 0.540 0.000 1.049 428 V CA -0.084 62.351 62.300 0.225 0.000 1.038 428 V CB 1.177 32.914 31.823 -0.143 0.000 0.980 428 V HN 0.727 nan 8.190 nan 0.000 0.481 429 S N 4.362 120.293 115.700 0.383 0.000 2.566 429 S HA 0.771 5.241 4.470 -0.001 0.000 0.273 429 S C -0.992 173.782 174.600 0.289 0.000 1.157 429 S CA -0.591 57.830 58.200 0.368 0.000 0.938 429 S CB 0.995 64.302 63.200 0.177 0.000 1.087 429 S HN 0.736 nan 8.310 nan 0.000 0.474 430 I N 1.019 121.786 120.570 0.328 0.000 2.894 430 I HA 0.720 4.890 4.170 -0.001 0.000 0.302 430 I C -3.075 173.147 176.117 0.174 0.000 1.188 430 I CA -2.981 58.467 61.300 0.246 0.000 1.014 430 I CB 2.326 40.513 38.000 0.312 0.000 1.242 430 I HN 0.289 nan 8.210 nan 0.000 0.430 431 P HA 0.111 nan 4.420 nan 0.000 0.271 431 P C -0.962 176.420 177.300 0.137 0.000 1.216 431 P CA -0.028 63.144 63.100 0.118 0.000 0.771 431 P CB 0.395 32.155 31.700 0.100 0.000 0.864 432 N N 1.887 120.653 118.700 0.110 0.000 2.513 432 N HA 0.059 4.799 4.740 -0.001 0.000 0.268 432 N C 0.649 176.234 175.510 0.126 0.000 1.180 432 N CA 0.367 53.463 53.050 0.077 0.000 0.948 432 N CB 0.167 38.669 38.487 0.025 0.000 1.083 432 N HN 0.365 nan 8.380 nan 0.000 0.455 433 T N -0.887 113.776 114.554 0.182 0.000 3.040 433 T HA 0.207 4.556 4.350 -0.001 0.000 0.266 433 T C 0.153 174.911 174.700 0.097 0.000 1.005 433 T CA -0.344 61.838 62.100 0.137 0.000 0.906 433 T CB -0.354 68.608 68.868 0.156 0.000 1.082 433 T HN 0.089 nan 8.240 nan 0.000 0.531 434 V N 2.086 122.038 119.914 0.062 0.000 2.432 434 V HA 0.491 4.610 4.120 -0.001 0.000 0.271 434 V C -0.031 176.054 176.094 -0.015 0.000 1.046 434 V CA -0.583 61.673 62.300 -0.072 0.000 0.945 434 V CB 0.976 32.526 31.823 -0.454 0.000 0.992 434 V HN 0.372 nan 8.190 nan 0.000 0.471 435 K N 4.072 124.517 120.400 0.075 0.000 2.426 435 K HA 0.403 4.722 4.320 -0.001 0.000 0.254 435 K C -0.226 176.449 176.600 0.126 0.000 0.936 435 K CA -0.685 55.650 56.287 0.080 0.000 0.801 435 K CB 1.280 33.808 32.500 0.046 0.000 1.139 435 K HN 0.668 nan 8.250 nan 0.000 0.424 436 N N 1.678 120.443 118.700 0.109 0.000 2.347 436 N HA -0.013 4.726 4.740 -0.001 0.000 0.253 436 N C 0.953 176.468 175.510 0.009 0.000 1.274 436 N CA -0.200 52.905 53.050 0.092 0.000 0.941 436 N CB 1.181 39.729 38.487 0.101 0.000 1.200 436 N HN 0.378 nan 8.380 nan 0.000 0.514 437 V N 0.753 120.653 119.914 -0.022 0.000 2.594 437 V HA -0.196 3.923 4.120 -0.001 0.000 0.253 437 V C 1.894 177.981 176.094 -0.013 0.000 1.069 437 V CA 2.707 64.985 62.300 -0.038 0.000 1.082 437 V CB -1.008 30.787 31.823 -0.046 0.000 0.680 437 V HN 0.928 nan 8.190 nan 0.000 0.469 438 T N -2.933 111.623 114.554 0.004 0.000 3.085 438 T HA 0.207 4.556 4.350 -0.001 0.000 0.263 438 T C 1.643 176.349 174.700 0.011 0.000 1.127 438 T CA 1.003 63.108 62.100 0.008 0.000 1.103 438 T CB 0.193 69.072 68.868 0.017 0.000 0.921 438 T HN 1.226 nan 8.240 nan 0.000 0.510 439 G N 1.153 109.961 108.800 0.012 0.000 2.195 439 G HA2 -0.070 3.889 3.960 -0.001 0.000 0.246 439 G HA3 -0.070 3.889 3.960 -0.001 0.000 0.246 439 G C 0.303 175.219 174.900 0.027 0.000 0.984 439 G CA -0.109 45.000 45.100 0.016 0.000 0.633 439 G HN 1.188 nan 8.290 nan 0.000 0.525 440 A N 0.569 123.409 122.820 0.033 0.000 2.388 440 A HA 0.693 5.013 4.320 -0.001 0.000 0.257 440 A C 0.802 178.417 177.584 0.052 0.000 1.095 440 A CA -0.186 51.876 52.037 0.042 0.000 0.791 440 A CB 0.326 19.352 19.000 0.043 0.000 1.029 440 A HN 0.871 nan 8.150 nan 0.000 0.489 441 L N 2.121 123.379 121.223 0.059 0.000 2.456 441 L HA 0.124 4.464 4.340 -0.001 0.000 0.272 441 L C -0.084 176.814 176.870 0.047 0.000 1.189 441 L CA 0.279 55.154 54.840 0.059 0.000 0.846 441 L CB 0.326 42.446 42.059 0.101 0.000 1.111 441 L HN 0.544 nan 8.230 nan 0.000 0.475 442 I N 2.918 123.483 120.570 -0.007 0.000 2.315 442 I HA 0.272 4.441 4.170 -0.001 0.000 0.291 442 I C 0.610 176.644 176.117 -0.138 0.000 1.006 442 I CA -0.256 61.027 61.300 -0.028 0.000 1.265 442 I CB 1.509 39.489 38.000 -0.033 0.000 1.387 442 I HN 0.659 nan 8.210 nan 0.000 0.475 443 A N 8.637 131.385 122.820 -0.120 0.000 2.462 443 A HA 0.431 4.750 4.320 -0.001 0.000 0.243 443 A C -2.363 175.042 177.584 -0.298 0.000 1.076 443 A CA -1.123 50.696 52.037 -0.363 0.000 0.773 443 A CB -0.419 18.566 19.000 -0.025 0.000 1.010 443 A HN 0.407 nan 8.150 nan 0.000 0.493 444 P HA 0.126 nan 4.420 nan 0.000 0.266 444 P C 0.641 177.909 177.300 -0.053 0.000 1.195 444 P CA 0.764 63.785 63.100 -0.132 0.000 0.768 444 P CB 0.822 32.396 31.700 -0.210 0.000 0.838 445 A N 2.911 125.737 122.820 0.010 0.000 1.897 445 A HA 0.047 4.366 4.320 -0.001 0.000 0.215 445 A C 0.954 178.529 177.584 -0.014 0.000 1.181 445 A CA 1.972 54.004 52.037 -0.009 0.000 0.620 445 A CB -0.919 18.065 19.000 -0.027 0.000 0.821 445 A HN 0.614 nan 8.150 nan 0.000 0.443 446 T N -3.112 111.443 114.554 0.000 0.000 2.896 446 T HA 0.706 5.056 4.350 -0.001 0.000 0.297 446 T C -0.881 173.842 174.700 0.038 0.000 1.108 446 T CA -0.640 61.462 62.100 0.003 0.000 1.004 446 T CB 1.578 70.442 68.868 -0.006 0.000 1.159 446 T HN 0.223 nan 8.240 nan 0.000 0.499 447 I N 2.455 123.034 120.570 0.016 0.000 2.500 447 I HA 0.355 4.525 4.170 -0.001 0.000 0.286 447 I C 0.833 176.999 176.117 0.082 0.000 1.063 447 I CA -0.969 60.347 61.300 0.027 0.000 1.062 447 I CB 2.304 40.192 38.000 -0.186 0.000 1.223 447 I HN 1.003 nan 8.210 nan 0.000 0.435 448 S N 2.501 118.335 115.700 0.224 0.000 2.687 448 S HA -0.030 4.439 4.470 -0.001 0.000 0.248 448 S C 0.535 175.292 174.600 0.262 0.000 1.390 448 S CA 0.294 58.629 58.200 0.225 0.000 0.963 448 S CB -0.040 63.308 63.200 0.246 0.000 0.957 448 S HN 0.816 nan 8.310 nan 0.000 0.584 449 D N -0.081 120.450 120.400 0.219 0.000 2.884 449 D HA -0.070 4.570 4.640 -0.001 0.000 0.222 449 D C 0.908 177.325 176.300 0.195 0.000 1.166 449 D CA 1.460 55.595 54.000 0.225 0.000 0.652 449 D CB -1.782 39.197 40.800 0.299 0.000 1.060 449 D HN 1.369 nan 8.370 nan 0.000 0.416 450 G N -1.624 107.227 108.800 0.085 0.000 2.176 450 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.252 450 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.252 450 G C 0.650 175.507 174.900 -0.071 0.000 1.024 450 G CA -0.083 45.022 45.100 0.009 0.000 0.755 450 G HN 0.859 nan 8.290 nan 0.000 0.507 451 G N -0.594 108.076 108.800 -0.218 0.000 2.614 451 G HA2 0.509 4.469 3.960 -0.001 0.000 0.239 451 G HA3 0.509 4.469 3.960 -0.001 0.000 0.239 451 G C 0.303 174.978 174.900 -0.375 0.000 1.240 451 G CA 0.967 45.717 45.100 -0.583 0.000 0.842 451 G HN 1.274 nan 8.290 nan 0.000 0.584 452 S N -0.797 114.684 115.700 -0.364 0.000 2.536 452 S HA 0.564 5.034 4.470 -0.001 0.000 0.298 452 S C -1.530 172.964 174.600 -0.177 0.000 1.083 452 S CA -0.675 57.401 58.200 -0.206 0.000 0.995 452 S CB 1.280 64.395 63.200 -0.142 0.000 1.058 452 S HN 0.560 nan 8.310 nan 0.000 0.488 453 Y N 2.545 122.699 120.300 -0.244 0.000 2.328 453 Y HA 0.556 5.105 4.550 -0.001 0.000 0.337 453 Y C -0.544 175.266 175.900 -0.151 0.000 0.966 453 Y CA -0.361 57.604 58.100 -0.225 0.000 1.136 453 Y CB 1.527 39.857 38.460 -0.217 0.000 1.170 453 Y HN 0.589 nan 8.280 nan 0.000 0.470 454 T N 6.618 120.825 114.554 -0.578 0.000 2.847 454 T HA 0.160 4.510 4.350 -0.001 0.000 0.291 454 T C -0.788 173.352 174.700 -0.932 0.000 0.998 454 T CA -0.795 60.918 62.100 -0.645 0.000 0.967 454 T CB 0.768 69.448 68.868 -0.313 0.000 0.954 454 T HN 0.721 nan 8.240 nan 0.000 0.441 455 E N 4.920 124.417 120.200 -1.172 0.000 2.414 455 E HA 0.058 4.407 4.350 -0.001 0.000 0.263 455 E C -1.479 174.942 176.600 -0.299 0.000 1.000 455 E CA -1.270 54.667 56.400 -0.772 0.000 0.914 455 E CB 0.701 30.224 29.700 -0.295 0.000 0.948 455 E HN 0.256 nan 8.360 nan 0.000 0.444 456 P HA 0.198 nan 4.420 nan 0.000 0.261 456 P C -1.032 176.314 177.300 0.077 0.000 1.352 456 P CA -0.012 63.096 63.100 0.015 0.000 0.891 456 P CB 0.408 32.134 31.700 0.042 0.000 1.383 457 D N 0.818 121.180 120.400 -0.064 0.000 2.192 457 D HA 0.348 4.987 4.640 -0.001 0.000 0.246 457 D C 0.190 176.488 176.300 -0.004 0.000 1.042 457 D CA -0.385 53.611 54.000 -0.006 0.000 0.847 457 D CB 2.224 43.004 40.800 -0.034 0.000 1.186 457 D HN 0.064 nan 8.370 nan 0.000 0.461 458 I N 1.337 121.907 120.570 -0.001 0.000 2.339 458 I HA 0.208 4.378 4.170 -0.001 0.000 0.290 458 I C 0.430 176.381 176.117 -0.278 0.000 0.994 458 I CA -0.155 61.026 61.300 -0.199 0.000 1.191 458 I CB 1.580 39.317 38.000 -0.439 0.000 1.343 458 I HN 0.036 nan 8.210 nan 0.000 0.458 459 T N 4.588 118.919 114.554 -0.371 0.000 2.932 459 T HA 0.505 4.854 4.350 -0.001 0.000 0.289 459 T C -0.833 173.658 174.700 -0.348 0.000 1.039 459 T CA -0.504 61.490 62.100 -0.177 0.000 1.024 459 T CB 1.711 70.539 68.868 -0.066 0.000 1.090 459 T HN 0.395 nan 8.240 nan 0.000 0.496 460 W N 0.788 122.093 121.300 0.009 0.000 3.021 460 W HA 0.527 5.186 4.660 -0.001 0.000 0.337 460 W C -0.451 176.073 176.519 0.008 0.000 1.171 460 W CA -0.654 56.700 57.345 0.015 0.000 1.060 460 W CB 1.740 31.216 29.460 0.026 0.000 1.472 460 W HN 0.453 nan 8.180 nan 0.000 0.594 461 N N 1.029 119.903 118.700 0.289 0.000 2.308 461 N HA 0.461 5.200 4.740 -0.001 0.000 0.283 461 N C -0.518 175.094 175.510 0.169 0.000 1.105 461 N CA -0.420 52.728 53.050 0.164 0.000 0.840 461 N CB 2.177 40.722 38.487 0.097 0.000 1.633 461 N HN 0.545 nan 8.380 nan 0.000 0.476 462 L N -2.235 119.087 121.223 0.164 0.000 2.109 462 L HA 0.002 4.341 4.340 -0.001 0.000 0.476 462 L C -2.537 174.439 176.870 0.177 0.000 0.818 462 L CA -0.266 54.680 54.840 0.176 0.000 1.833 462 L CB -1.547 40.711 42.059 0.332 0.000 1.402 462 L HN 0.352 nan 8.230 nan 0.000 0.406 463 P HA 0.303 nan 4.420 nan 0.000 0.254 463 P C 0.117 177.506 177.300 0.149 0.000 1.620 463 P CA 0.444 63.624 63.100 0.134 0.000 1.050 463 P CB 0.930 32.681 31.700 0.086 0.000 1.539 464 S N -0.789 115.032 115.700 0.201 0.000 2.720 464 S HA 0.108 4.578 4.470 -0.001 0.000 0.318 464 S C -1.297 173.267 174.600 -0.060 0.000 0.872 464 S CA -0.765 57.499 58.200 0.106 0.000 0.794 464 S CB -0.289 62.946 63.200 0.058 0.000 1.009 464 S HN 0.038 nan 8.310 nan 0.000 0.491 465 Y N 3.691 123.805 120.300 -0.309 0.000 2.890 465 Y HA 0.414 4.963 4.550 -0.001 0.000 0.341 465 Y C 0.628 176.317 175.900 -0.352 0.000 1.269 465 Y CA 2.140 59.828 58.100 -0.687 0.000 1.517 465 Y CB 0.655 38.785 38.460 -0.549 0.000 1.314 465 Y HN 0.813 nan 8.280 nan 0.000 0.622 466 T N 3.500 116.808 114.554 -2.077 0.000 2.718 466 T HA 0.190 4.539 4.350 -0.001 0.000 0.306 466 T C 0.152 173.872 174.700 -1.633 0.000 1.485 466 T CA -0.280 60.837 62.100 -1.638 0.000 0.997 466 T CB 1.330 69.831 68.868 -0.612 0.000 1.504 466 T HN 0.769 nan 8.240 nan 0.000 0.497 467 N N -0.259 118.020 118.700 -0.703 0.000 2.220 467 N HA 0.189 4.929 4.740 -0.001 0.000 0.182 467 N C -0.058 175.336 175.510 -0.193 0.000 1.023 467 N CA 0.838 53.733 53.050 -0.259 0.000 0.856 467 N CB 0.375 38.819 38.487 -0.073 0.000 0.997 467 N HN 0.548 nan 8.380 nan 0.000 0.429 468 E N -0.964 119.111 120.200 -0.208 0.000 2.410 468 E HA 0.483 4.833 4.350 -0.001 0.000 0.269 468 E C -1.358 175.101 176.600 -0.235 0.000 0.937 468 E CA -1.011 55.283 56.400 -0.176 0.000 0.793 468 E CB 2.644 32.276 29.700 -0.113 0.000 1.314 468 E HN -0.046 nan 8.360 nan 0.000 0.447 469 V N -2.023 117.714 119.914 -0.294 0.000 3.160 469 V HA 0.981 5.100 4.120 -0.001 0.000 0.310 469 V C -0.846 175.217 176.094 -0.053 0.000 1.181 469 V CA -0.562 61.549 62.300 -0.316 0.000 1.047 469 V CB 1.678 32.772 31.823 -1.215 0.000 1.068 469 V HN 0.935 nan 8.190 nan 0.000 0.441 470 S N 0.434 116.308 115.700 0.291 0.000 2.633 470 S HA 0.763 5.232 4.470 -0.001 0.000 0.271 470 S C -1.430 173.420 174.600 0.417 0.000 1.112 470 S CA -0.443 57.912 58.200 0.259 0.000 0.828 470 S CB 1.087 64.284 63.200 -0.004 0.000 1.086 470 S HN 2.431 nan 8.310 nan 0.000 0.461 471 Y N -1.357 118.993 120.300 0.084 0.000 2.615 471 Y HA 0.895 5.444 4.550 -0.001 0.000 0.341 471 Y C -0.273 175.577 175.900 -0.083 0.000 1.089 471 Y CA -0.598 57.510 58.100 0.013 0.000 1.049 471 Y CB 0.809 39.272 38.460 0.004 0.000 1.296 471 Y HN 1.046 nan 8.280 nan 0.000 0.470 472 T N -0.155 114.399 114.554 0.001 0.000 2.940 472 T HA 0.808 5.158 4.350 -0.001 0.000 0.288 472 T C -0.972 173.742 174.700 0.024 0.000 1.033 472 T CA -0.623 61.382 62.100 -0.157 0.000 1.033 472 T CB 1.495 70.238 68.868 -0.207 0.000 1.079 472 T HN 0.902 nan 8.240 nan 0.000 0.496 473 F N -1.339 118.502 119.950 -0.183 0.000 2.603 473 F HA 0.857 5.383 4.527 -0.001 0.000 0.317 473 F C -0.457 175.229 175.800 -0.190 0.000 1.066 473 F CA -1.196 56.709 58.000 -0.160 0.000 0.941 473 F CB 1.930 40.827 39.000 -0.170 0.000 1.291 473 F HN 0.709 nan 8.300 nan 0.000 0.472 474 S N 1.860 117.557 115.700 -0.005 0.000 2.614 474 S HA 0.419 4.888 4.470 -0.001 0.000 0.259 474 S C -1.898 172.730 174.600 0.046 0.000 1.118 474 S CA -0.273 57.889 58.200 -0.064 0.000 1.065 474 S CB 0.914 64.055 63.200 -0.099 0.000 1.121 474 S HN 0.888 nan 8.310 nan 0.000 0.458 475 Q N 4.881 124.745 119.800 0.106 0.000 2.337 475 Q HA 0.533 4.873 4.340 -0.001 0.000 0.260 475 Q C -2.932 173.158 176.000 0.149 0.000 0.982 475 Q CA -1.718 54.168 55.803 0.139 0.000 0.734 475 Q CB 1.738 30.596 28.738 0.201 0.000 1.272 475 Q HN 0.330 nan 8.270 nan 0.000 0.461 476 P HA 0.057 nan 4.420 nan 0.000 0.265 476 P C -1.267 176.087 177.300 0.090 0.000 1.187 476 P CA -0.057 63.090 63.100 0.079 0.000 0.766 476 P CB 0.885 32.612 31.700 0.045 0.000 0.820 477 V N 2.887 122.847 119.914 0.078 0.000 3.077 477 V HA 0.483 4.602 4.120 -0.001 0.000 0.299 477 V C -1.189 174.919 176.094 0.024 0.000 1.276 477 V CA -0.219 62.116 62.300 0.058 0.000 0.993 477 V CB 2.697 34.567 31.823 0.079 0.000 1.076 477 V HN 0.449 nan 8.190 nan 0.000 0.434 478 T N 7.148 121.706 114.554 0.007 0.000 2.824 478 T HA 0.694 5.044 4.350 -0.001 0.000 0.282 478 T C -0.709 173.980 174.700 -0.019 0.000 0.993 478 T CA -0.168 61.925 62.100 -0.012 0.000 0.967 478 T CB 1.140 70.000 68.868 -0.014 0.000 0.960 478 T HN 0.544 nan 8.240 nan 0.000 0.441 479 I N 2.542 123.094 120.570 -0.030 0.000 2.466 479 I HA 0.532 4.701 4.170 -0.001 0.000 0.289 479 I C 1.135 177.231 176.117 -0.035 0.000 1.026 479 I CA -0.474 60.808 61.300 -0.031 0.000 1.078 479 I CB 1.492 39.471 38.000 -0.035 0.000 1.249 479 I HN 0.889 nan 8.210 nan 0.000 0.429 480 G N 6.176 114.959 108.800 -0.029 0.000 2.620 480 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.315 480 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.315 480 G C 0.644 175.521 174.900 -0.037 0.000 1.179 480 G CA 0.627 45.709 45.100 -0.031 0.000 0.971 480 G HN 0.655 nan 8.290 nan 0.000 0.544 481 K N 1.124 121.493 120.400 -0.051 0.000 2.374 481 K HA 0.393 4.712 4.320 -0.001 0.000 0.202 481 K C 1.062 177.614 176.600 -0.081 0.000 1.040 481 K CA 0.442 56.693 56.287 -0.060 0.000 1.085 481 K CB 1.237 33.699 32.500 -0.062 0.000 0.873 481 K HN 0.637 nan 8.250 nan 0.000 0.539 482 G N 0.974 109.720 108.800 -0.091 0.000 2.339 482 G HA2 0.211 4.170 3.960 -0.001 0.000 0.287 482 G HA3 0.211 4.170 3.960 -0.001 0.000 0.287 482 G C -0.801 174.052 174.900 -0.077 0.000 1.163 482 G CA -0.013 45.017 45.100 -0.117 0.000 0.872 482 G HN -0.070 nan 8.290 nan 0.000 0.464 483 T N 0.183 114.693 114.554 -0.073 0.000 2.856 483 T HA 0.741 5.091 4.350 -0.001 0.000 0.283 483 T C -0.165 174.520 174.700 -0.025 0.000 1.008 483 T CA -0.315 61.762 62.100 -0.038 0.000 0.997 483 T CB 1.955 70.804 68.868 -0.031 0.000 0.992 483 T HN 0.701 nan 8.240 nan 0.000 0.454 484 T N 1.568 116.125 114.554 0.004 0.000 2.671 484 T HA 0.594 4.943 4.350 -0.001 0.000 0.300 484 T C -1.338 173.394 174.700 0.053 0.000 1.238 484 T CA -0.417 61.697 62.100 0.024 0.000 1.020 484 T CB 1.523 70.410 68.868 0.032 0.000 1.503 484 T HN 0.611 nan 8.240 nan 0.000 0.497 485 T N 2.382 116.976 114.554 0.067 0.000 2.770 485 T HA 0.535 4.884 4.350 -0.001 0.000 0.283 485 T C -1.280 173.526 174.700 0.177 0.000 0.988 485 T CA -0.287 61.870 62.100 0.095 0.000 0.957 485 T CB 0.385 69.274 68.868 0.034 0.000 0.930 485 T HN 0.406 nan 8.240 nan 0.000 0.443 486 F N 5.092 125.083 119.950 0.069 0.000 2.390 486 F HA 0.559 5.085 4.527 -0.001 0.000 0.361 486 F C 0.237 176.144 175.800 0.177 0.000 1.124 486 F CA -1.176 56.910 58.000 0.144 0.000 1.149 486 F CB -0.197 38.917 39.000 0.190 0.000 1.160 486 F HN 0.525 nan 8.300 nan 0.000 0.501 487 S N 3.810 119.385 115.700 -0.209 0.000 2.595 487 S HA 1.025 5.494 4.470 -0.001 0.000 0.281 487 S C -0.498 173.362 174.600 -1.233 0.000 1.117 487 S CA -0.360 57.384 58.200 -0.760 0.000 0.873 487 S CB 1.706 64.651 63.200 -0.424 0.000 1.108 487 S HN 1.187 nan 8.310 nan 0.000 0.477 488 G N -0.071 107.500 108.800 -2.048 0.000 2.451 488 G HA2 0.573 4.533 3.960 -0.001 0.000 0.292 488 G HA3 0.573 4.533 3.960 -0.001 0.000 0.292 488 G C -1.709 172.538 174.900 -1.088 0.000 1.427 488 G CA -0.621 43.668 45.100 -1.352 0.000 0.792 488 G HN 0.822 nan 8.290 nan 0.000 0.498 489 T N 0.217 114.290 114.554 -0.801 0.000 2.879 489 T HA 0.572 4.921 4.350 -0.001 0.000 0.290 489 T C -0.656 173.417 174.700 -1.045 0.000 0.993 489 T CA -0.332 61.336 62.100 -0.720 0.000 0.975 489 T CB 1.671 70.258 68.868 -0.468 0.000 0.981 489 T HN 0.578 nan 8.240 nan 0.000 0.439 490 V N 3.569 122.812 119.914 -1.118 0.000 2.384 490 V HA 0.484 4.603 4.120 -0.001 0.000 0.287 490 V C 0.360 176.085 176.094 -0.615 0.000 1.020 490 V CA -0.623 60.904 62.300 -1.288 0.000 0.850 490 V CB 1.701 32.739 31.823 -1.308 0.000 0.987 490 V HN 0.910 nan 8.190 nan 0.000 0.436 491 T N 4.413 118.721 114.554 -0.410 0.000 2.795 491 T HA 0.429 4.778 4.350 -0.001 0.000 0.282 491 T C -0.409 174.279 174.700 -0.021 0.000 0.980 491 T CA -0.245 61.758 62.100 -0.162 0.000 1.012 491 T CB 1.260 70.058 68.868 -0.118 0.000 0.936 491 T HN 0.674 nan 8.240 nan 0.000 0.457 492 Q N 4.716 124.501 119.800 -0.024 0.000 2.454 492 Q HA 0.393 4.732 4.340 -0.001 0.000 0.255 492 Q C -2.718 173.233 176.000 -0.082 0.000 1.034 492 Q CA -2.250 53.541 55.803 -0.020 0.000 0.736 492 Q CB 1.161 29.875 28.738 -0.040 0.000 1.210 492 Q HN 0.251 nan 8.270 nan 0.000 0.500 493 P HA 0.201 nan 4.420 nan 0.000 0.272 493 P C -0.915 176.370 177.300 -0.026 0.000 1.240 493 P CA -0.173 62.912 63.100 -0.024 0.000 0.791 493 P CB 0.803 32.511 31.700 0.013 0.000 0.978 494 L N -1.346 119.879 121.223 0.004 0.000 3.291 494 L HA 0.698 5.038 4.340 -0.001 0.000 0.223 494 L C -0.678 176.250 176.870 0.097 0.000 1.945 494 L CA -0.318 54.550 54.840 0.045 0.000 2.049 494 L CB -0.428 41.666 42.059 0.058 0.000 2.006 494 L HN 0.100 nan 8.230 nan 0.000 0.571 495 K N -0.932 119.575 120.400 0.179 0.000 2.569 495 K HA 0.868 5.188 4.320 -0.001 0.000 0.259 495 K C -1.567 175.194 176.600 0.269 0.000 0.932 495 K CA 0.016 56.407 56.287 0.173 0.000 0.833 495 K CB 2.593 35.157 32.500 0.107 0.000 1.340 495 K HN 0.952 nan 8.250 nan 0.000 0.429 496 A N 0.000 122.879 122.820 0.098 0.000 2.254 496 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 496 A CA 0.000 nan 52.037 nan 0.000 0.836 496 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486