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 1o6s_1_A DATA FIRST_RESID 36 DATA SEQUENCE ATITQDTPIN QIFTDTALAE KMKTVLGKTN VTDTVSQTDL DQVTTLQADR DATA SEQUENCE LGIKSIDGVE YLNNLTQINF SNNQLTDITP LKNLTKLVDI LMNNNQIADI DATA SEQUENCE TPLANLTNLT GLTLFNNQIT DIDPLKNLTN LNRLELSSNT ISDISALSGL DATA SEQUENCE 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 0.000 177.675 177.584 0.152 0.000 1.274 36 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 36 A CB 0.000 18.765 19.000 -0.391 0.000 0.831 37 T N 0.328 115.039 114.554 0.263 0.000 2.952 37 T HA 0.697 5.047 4.350 0.001 0.000 0.305 37 T C 0.064 174.854 174.700 0.150 0.000 1.064 37 T CA -0.396 61.853 62.100 0.248 0.000 1.008 37 T CB 0.993 69.926 68.868 0.109 0.000 1.078 37 T HN 1.596 nan 8.240 nan 0.000 0.459 38 I N 0.970 121.487 120.570 -0.088 0.000 2.779 38 I HA 0.440 4.610 4.170 0.001 0.000 0.285 38 I C 1.147 177.214 176.117 -0.084 0.000 1.134 38 I CA -0.644 60.527 61.300 -0.214 0.000 1.398 38 I CB 0.873 38.631 38.000 -0.403 0.000 1.404 38 I HN 0.859 nan 8.210 nan 0.000 0.587 39 T N 1.122 115.635 114.554 -0.068 0.000 3.042 39 T HA 0.246 4.597 4.350 0.001 0.000 0.245 39 T C 0.764 175.444 174.700 -0.033 0.000 1.029 39 T CA 0.093 62.174 62.100 -0.032 0.000 1.120 39 T CB 0.026 68.882 68.868 -0.019 0.000 0.917 39 T HN 0.803 nan 8.240 nan 0.000 0.467 40 Q N 0.720 120.493 119.800 -0.045 0.000 3.022 40 Q HA 0.443 4.783 4.340 0.001 0.000 0.313 40 Q C -1.643 174.328 176.000 -0.049 0.000 1.018 40 Q CA -1.196 54.585 55.803 -0.037 0.000 0.799 40 Q CB 0.780 29.501 28.738 -0.028 0.000 1.498 40 Q HN 0.134 nan 8.270 nan 0.000 0.494 41 D N 1.659 122.037 120.400 -0.036 0.000 2.412 41 D HA 0.149 4.789 4.640 0.001 0.000 0.257 41 D C -0.978 175.296 176.300 -0.043 0.000 1.217 41 D CA 0.796 54.775 54.000 -0.034 0.000 0.897 41 D CB 0.472 41.260 40.800 -0.020 0.000 1.132 41 D HN 0.188 nan 8.370 nan 0.000 0.493 42 T N 3.011 117.533 114.554 -0.055 0.000 2.848 42 T HA 0.424 4.774 4.350 0.001 0.000 0.285 42 T C -2.548 172.129 174.700 -0.039 0.000 0.995 42 T CA -1.737 60.325 62.100 -0.065 0.000 0.970 42 T CB 1.800 70.594 68.868 -0.124 0.000 0.976 42 T HN 0.039 nan 8.240 nan 0.000 0.441 43 P HA 0.140 nan 4.420 nan 0.000 0.263 43 P C 0.813 178.125 177.300 0.020 0.000 1.175 43 P CA 0.089 63.190 63.100 0.001 0.000 0.761 43 P CB 0.444 32.145 31.700 0.001 0.000 0.794 44 I N 2.259 122.867 120.570 0.063 0.000 2.264 44 I HA -0.262 3.908 4.170 0.001 0.000 0.248 44 I C 1.893 178.118 176.117 0.181 0.000 1.111 44 I CA 1.653 63.045 61.300 0.155 0.000 1.382 44 I CB -0.435 37.657 38.000 0.154 0.000 1.060 44 I HN 0.478 nan 8.210 nan 0.000 0.418 45 N N 0.624 119.389 118.700 0.108 0.000 2.461 45 N HA -0.133 4.607 4.740 0.001 0.000 0.188 45 N C 1.294 176.838 175.510 0.057 0.000 1.134 45 N CA 0.667 53.777 53.050 0.100 0.000 0.878 45 N CB -0.114 38.415 38.487 0.071 0.000 0.972 45 N HN 0.484 nan 8.380 nan 0.000 0.456 46 Q N -0.379 119.434 119.800 0.022 0.000 2.384 46 Q HA 0.331 4.672 4.340 0.001 0.000 0.207 46 Q C 1.424 177.383 176.000 -0.068 0.000 0.904 46 Q CA 0.155 55.948 55.803 -0.016 0.000 0.933 46 Q CB 0.540 29.260 28.738 -0.030 0.000 1.077 46 Q HN 0.404 nan 8.270 nan 0.000 0.522 47 I N -0.850 119.650 120.570 -0.118 0.000 2.556 47 I HA -0.024 4.147 4.170 0.001 0.000 0.251 47 I C 0.003 175.874 176.117 -0.410 0.000 1.105 47 I CA 0.546 61.642 61.300 -0.340 0.000 1.436 47 I CB 0.431 38.095 38.000 -0.560 0.000 1.139 47 I HN -0.016 nan 8.210 nan 0.000 0.438 48 F N 1.575 121.554 119.950 0.049 0.000 2.293 48 F HA 0.170 4.698 4.527 0.001 0.000 0.370 48 F C 1.643 177.465 175.800 0.037 0.000 1.090 48 F CA -0.612 57.421 58.000 0.056 0.000 1.133 48 F CB 0.562 39.599 39.000 0.061 0.000 1.360 48 F HN -0.060 nan 8.300 nan 0.000 0.489 49 T N -2.396 112.233 114.554 0.126 0.000 2.951 49 T HA -0.139 4.211 4.350 0.001 0.000 0.268 49 T C 0.655 175.406 174.700 0.085 0.000 1.073 49 T CA 0.343 62.492 62.100 0.081 0.000 1.134 49 T CB -0.146 68.747 68.868 0.041 0.000 0.884 49 T HN 0.478 nan 8.240 nan 0.000 0.479 50 D N 1.259 121.720 120.400 0.102 0.000 2.417 50 D HA 0.032 4.673 4.640 0.001 0.000 0.250 50 D C 0.709 177.059 176.300 0.084 0.000 1.166 50 D CA 0.201 54.249 54.000 0.081 0.000 0.881 50 D CB 1.427 42.275 40.800 0.079 0.000 1.164 50 D HN 0.117 nan 8.370 nan 0.000 0.467 51 T N 3.539 118.128 114.554 0.058 0.000 2.684 51 T HA -0.170 4.181 4.350 0.001 0.000 0.267 51 T C 1.763 176.489 174.700 0.043 0.000 1.036 51 T CA 1.706 63.835 62.100 0.049 0.000 1.148 51 T CB -0.074 68.815 68.868 0.035 0.000 0.863 51 T HN 0.632 nan 8.240 nan 0.000 0.436 52 A N 0.991 123.836 122.820 0.042 0.000 1.902 52 A HA 0.003 4.324 4.320 0.001 0.000 0.217 52 A C 2.214 179.817 177.584 0.032 0.000 1.181 52 A CA 1.230 53.287 52.037 0.034 0.000 0.623 52 A CB -0.744 18.279 19.000 0.038 0.000 0.818 52 A HN 0.408 nan 8.150 nan 0.000 0.443 53 L N -0.404 120.853 121.223 0.056 0.000 2.093 53 L HA 0.042 4.382 4.340 0.001 0.000 0.208 53 L C 2.585 179.431 176.870 -0.040 0.000 1.085 53 L CA 1.953 56.817 54.840 0.041 0.000 0.755 53 L CB -0.758 41.373 42.059 0.119 0.000 0.904 53 L HN 0.330 nan 8.230 nan 0.000 0.435 54 A N -1.097 121.746 122.820 0.038 0.000 1.929 54 A HA -0.110 4.210 4.320 0.001 0.000 0.216 54 A C 2.065 179.640 177.584 -0.015 0.000 1.176 54 A CA 1.237 53.299 52.037 0.042 0.000 0.628 54 A CB -0.437 18.640 19.000 0.129 0.000 0.816 54 A HN 0.476 nan 8.150 nan 0.000 0.444 55 E N -0.158 120.038 120.200 -0.006 0.000 2.268 55 E HA -0.170 4.181 4.350 0.001 0.000 0.195 55 E C 1.846 178.422 176.600 -0.040 0.000 0.995 55 E CA 1.429 57.821 56.400 -0.014 0.000 0.836 55 E CB -0.052 29.646 29.700 -0.003 0.000 0.763 55 E HN 0.672 nan 8.360 nan 0.000 0.491 56 K N 0.277 120.638 120.400 -0.065 0.000 2.098 56 K HA 0.015 4.335 4.320 0.001 0.000 0.203 56 K C 1.884 178.406 176.600 -0.131 0.000 1.051 56 K CA 0.716 56.950 56.287 -0.088 0.000 0.957 56 K CB -0.048 32.400 32.500 -0.087 0.000 0.738 56 K HN -0.114 nan 8.250 nan 0.000 0.447 57 M N 1.597 121.067 119.600 -0.216 0.000 2.229 57 M HA -0.057 4.423 4.480 0.001 0.000 0.264 57 M C 1.972 178.187 176.300 -0.142 0.000 1.063 57 M CA 1.491 56.614 55.300 -0.295 0.000 1.114 57 M CB -0.871 31.312 32.600 -0.696 0.000 1.387 57 M HN 0.291 nan 8.290 nan 0.000 0.420 58 K N -0.001 120.348 120.400 -0.085 0.000 2.032 58 K HA -0.158 4.162 4.320 0.001 0.000 0.209 58 K C 1.674 178.254 176.600 -0.034 0.000 1.048 58 K CA 2.029 58.296 56.287 -0.032 0.000 0.927 58 K CB -0.117 32.374 32.500 -0.014 0.000 0.712 58 K HN 0.241 nan 8.250 nan 0.000 0.441 59 T N 1.213 115.740 114.554 -0.045 0.000 2.674 59 T HA -0.115 4.236 4.350 0.001 0.000 0.265 59 T C 1.988 176.662 174.700 -0.042 0.000 1.039 59 T CA 1.593 63.669 62.100 -0.040 0.000 1.150 59 T CB -0.314 68.529 68.868 -0.043 0.000 0.864 59 T HN 0.050 nan 8.240 nan 0.000 0.427 60 V N 1.441 121.319 119.914 -0.061 0.000 2.380 60 V HA -0.130 3.991 4.120 0.001 0.000 0.251 60 V C 2.235 178.310 176.094 -0.031 0.000 1.063 60 V CA 1.591 63.858 62.300 -0.055 0.000 1.055 60 V CB -0.630 31.144 31.823 -0.081 0.000 0.657 60 V HN 0.451 nan 8.190 nan 0.000 0.455 61 L N -0.152 121.055 121.223 -0.027 0.000 2.607 61 L HA 0.373 4.713 4.340 0.001 0.000 0.228 61 L C 1.501 178.370 176.870 -0.001 0.000 1.123 61 L CA 0.683 55.521 54.840 -0.003 0.000 0.890 61 L CB -0.178 41.890 42.059 0.015 0.000 1.103 61 L HN 0.517 nan 8.230 nan 0.000 0.468 62 G N 0.720 109.515 108.800 -0.009 0.000 2.256 62 G HA2 -0.214 3.746 3.960 0.001 0.000 0.272 62 G HA3 -0.214 3.746 3.960 0.001 0.000 0.272 62 G C 0.063 174.962 174.900 -0.002 0.000 1.076 62 G CA -0.042 45.054 45.100 -0.006 0.000 0.882 62 G HN 0.141 nan 8.290 nan 0.000 0.497 63 K N -0.897 119.502 120.400 -0.002 0.000 2.185 63 K HA 0.698 5.019 4.320 0.001 0.000 0.240 63 K C 1.133 177.734 176.600 0.000 0.000 0.983 63 K CA -0.290 55.999 56.287 0.003 0.000 0.873 63 K CB 1.259 33.765 32.500 0.009 0.000 1.118 63 K HN 0.035 nan 8.250 nan 0.000 0.441 64 T N -0.065 114.490 114.554 0.002 0.000 3.015 64 T HA 0.105 4.456 4.350 0.001 0.000 0.250 64 T C 0.084 174.786 174.700 0.003 0.000 1.057 64 T CA 0.155 62.256 62.100 0.001 0.000 1.066 64 T CB 0.127 68.996 68.868 0.001 0.000 0.959 64 T HN 0.481 nan 8.240 nan 0.000 0.488 65 N N 0.810 119.513 118.700 0.006 0.000 2.329 65 N HA 0.260 5.000 4.740 0.001 0.000 0.282 65 N C 0.774 176.292 175.510 0.015 0.000 1.198 65 N CA -0.396 52.660 53.050 0.009 0.000 0.790 65 N CB 2.409 40.901 38.487 0.008 0.000 1.579 65 N HN -0.040 nan 8.380 nan 0.000 0.475 66 V N -2.073 117.852 119.914 0.019 0.000 2.913 66 V HA -0.127 3.993 4.120 0.001 0.000 0.260 66 V C 1.841 177.957 176.094 0.036 0.000 1.098 66 V CA 1.832 64.151 62.300 0.031 0.000 1.121 66 V CB -1.433 30.411 31.823 0.035 0.000 0.714 66 V HN 0.847 nan 8.190 nan 0.000 0.487 67 T N -2.784 111.785 114.554 0.025 0.000 3.113 67 T HA 0.070 4.420 4.350 0.001 0.000 0.256 67 T C 0.370 175.080 174.700 0.017 0.000 1.131 67 T CA 0.097 62.209 62.100 0.020 0.000 1.074 67 T CB -0.649 68.227 68.868 0.014 0.000 0.944 67 T HN 0.489 nan 8.240 nan 0.000 0.516 68 D N 3.484 123.895 120.400 0.018 0.000 2.443 68 D HA 0.235 4.876 4.640 0.001 0.000 0.239 68 D C 0.516 176.826 176.300 0.017 0.000 1.136 68 D CA 0.470 54.478 54.000 0.015 0.000 0.879 68 D CB 0.866 41.674 40.800 0.014 0.000 1.195 68 D HN 0.428 nan 8.370 nan 0.000 0.443 69 T N -1.434 113.125 114.554 0.009 0.000 2.837 69 T HA 0.590 4.940 4.350 0.001 0.000 0.285 69 T C 0.208 174.911 174.700 0.005 0.000 0.984 69 T CA -0.902 61.200 62.100 0.003 0.000 1.049 69 T CB 0.912 69.776 68.868 -0.006 0.000 0.947 69 T HN 0.184 nan 8.240 nan 0.000 0.472 70 V N -0.060 119.856 119.914 0.003 0.000 3.113 70 V HA 0.913 5.033 4.120 0.001 0.000 0.316 70 V C -0.108 175.977 176.094 -0.015 0.000 1.125 70 V CA -0.959 61.345 62.300 0.007 0.000 1.026 70 V CB 1.697 33.541 31.823 0.035 0.000 1.080 70 V HN 0.983 nan 8.190 nan 0.000 0.444 71 S N -0.640 115.054 115.700 -0.010 0.000 2.751 71 S HA 0.396 4.866 4.470 0.001 0.000 0.310 71 S C 0.511 175.104 174.600 -0.013 0.000 1.128 71 S CA -0.298 57.889 58.200 -0.022 0.000 0.931 71 S CB 1.713 64.906 63.200 -0.012 0.000 1.177 71 S HN 0.903 nan 8.310 nan 0.000 0.530 72 Q N 1.058 120.849 119.800 -0.015 0.000 2.170 72 Q HA -0.088 4.253 4.340 0.001 0.000 0.203 72 Q C 1.669 177.686 176.000 0.028 0.000 0.976 72 Q CA 2.229 58.037 55.803 0.009 0.000 0.858 72 Q CB -0.880 27.868 28.738 0.017 0.000 0.907 72 Q HN 0.810 nan 8.270 nan 0.000 0.433 73 T N -0.284 114.282 114.554 0.020 0.000 2.995 73 T HA -0.063 4.288 4.350 0.001 0.000 0.269 73 T C 0.795 175.512 174.700 0.028 0.000 1.091 73 T CA 1.069 63.183 62.100 0.023 0.000 1.128 73 T CB -0.173 68.705 68.868 0.016 0.000 0.891 73 T HN 0.292 nan 8.240 nan 0.000 0.492 74 D N 1.637 122.054 120.400 0.029 0.000 2.123 74 D HA 0.046 4.686 4.640 0.001 0.000 0.200 74 D C 2.043 178.376 176.300 0.054 0.000 0.976 74 D CA 0.654 54.675 54.000 0.035 0.000 0.831 74 D CB -0.434 40.387 40.800 0.035 0.000 0.974 74 D HN 0.309 nan 8.370 nan 0.000 0.469 75 L N 0.736 122.001 121.223 0.071 0.000 2.201 75 L HA -0.102 4.238 4.340 0.001 0.000 0.212 75 L C 1.465 178.394 176.870 0.097 0.000 1.105 75 L CA 0.845 55.752 54.840 0.111 0.000 0.775 75 L CB -0.290 41.854 42.059 0.143 0.000 0.913 75 L HN -0.079 nan 8.230 nan 0.000 0.440 76 D N -0.259 120.184 120.400 0.072 0.000 2.310 76 D HA -0.133 4.507 4.640 0.001 0.000 0.212 76 D C 2.158 178.487 176.300 0.049 0.000 0.965 76 D CA 0.744 54.780 54.000 0.060 0.000 0.879 76 D CB 0.051 40.879 40.800 0.046 0.000 0.921 76 D HN 0.328 nan 8.370 nan 0.000 0.510 77 Q N -0.087 119.740 119.800 0.045 0.000 2.424 77 Q HA 0.062 4.402 4.340 0.001 0.000 0.204 77 Q C 0.375 176.394 176.000 0.032 0.000 0.933 77 Q CA 0.116 55.938 55.803 0.032 0.000 0.929 77 Q CB 0.504 29.258 28.738 0.025 0.000 1.037 77 Q HN 0.135 nan 8.270 nan 0.000 0.511 78 V N 2.869 122.810 119.914 0.045 0.000 2.387 78 V HA 0.052 4.173 4.120 0.001 0.000 0.260 78 V C 1.321 177.440 176.094 0.042 0.000 1.054 78 V CA 0.738 63.062 62.300 0.040 0.000 0.967 78 V CB 0.594 32.452 31.823 0.058 0.000 1.036 78 V HN 0.333 nan 8.190 nan 0.000 0.481 79 T N -0.221 114.348 114.554 0.025 0.000 2.985 79 T HA 0.159 4.510 4.350 0.001 0.000 0.254 79 T C 0.674 175.383 174.700 0.016 0.000 1.021 79 T CA 0.438 62.553 62.100 0.025 0.000 0.957 79 T CB 0.656 69.535 68.868 0.018 0.000 1.047 79 T HN 0.599 nan 8.240 nan 0.000 0.511 80 T N 0.866 115.420 114.554 0.001 0.000 2.906 80 T HA 0.695 5.046 4.350 0.001 0.000 0.295 80 T C -2.300 172.374 174.700 -0.044 0.000 1.061 80 T CA -0.758 61.331 62.100 -0.019 0.000 1.000 80 T CB 1.801 70.653 68.868 -0.026 0.000 1.103 80 T HN 0.248 nan 8.240 nan 0.000 0.486 81 L N 3.586 124.756 121.223 -0.088 0.000 2.580 81 L HA 0.536 4.877 4.340 0.001 0.000 0.266 81 L C -1.554 175.155 176.870 -0.268 0.000 0.955 81 L CA -0.291 54.451 54.840 -0.163 0.000 0.886 81 L CB 2.158 44.125 42.059 -0.153 0.000 1.263 81 L HN 0.532 nan 8.230 nan 0.000 0.406 82 Q N 4.908 124.569 119.800 -0.232 0.000 2.563 82 Q HA 0.629 4.969 4.340 0.001 0.000 0.232 82 Q C 0.071 175.909 176.000 -0.270 0.000 1.106 82 Q CA 0.181 55.845 55.803 -0.232 0.000 0.913 82 Q CB 1.456 30.112 28.738 -0.138 0.000 1.175 82 Q HN 0.656 nan 8.270 nan 0.000 0.540 83 A N 2.297 124.855 122.820 -0.437 0.000 2.749 83 A HA 0.187 4.507 4.320 0.001 0.000 0.299 83 A C -0.096 177.348 177.584 -0.233 0.000 1.105 83 A CA -0.667 51.154 52.037 -0.361 0.000 0.987 83 A CB 0.018 18.717 19.000 -0.501 0.000 1.180 83 A HN 0.468 nan 8.150 nan 0.000 0.528 84 D N -0.218 120.079 120.400 -0.172 0.000 2.341 84 D HA 0.216 4.856 4.640 0.001 0.000 0.245 84 D C 0.081 176.359 176.300 -0.037 0.000 1.106 84 D CA -0.312 53.642 54.000 -0.077 0.000 0.905 84 D CB 0.473 41.231 40.800 -0.071 0.000 1.202 84 D HN 0.299 nan 8.370 nan 0.000 0.426 85 R N 0.186 120.683 120.500 -0.006 0.000 3.532 85 R HA -0.146 4.194 4.340 0.001 0.000 0.284 85 R C 0.146 176.448 176.300 0.004 0.000 1.140 85 R CA 0.260 56.360 56.100 0.000 0.000 0.768 85 R CB -2.077 28.218 30.300 -0.007 0.000 1.252 85 R HN 0.561 nan 8.270 nan 0.000 0.454 86 L N -0.903 120.330 121.223 0.017 0.000 2.906 86 L HA 0.240 4.580 4.340 0.001 0.000 0.255 86 L C 1.405 178.292 176.870 0.029 0.000 1.166 86 L CA 0.543 55.394 54.840 0.018 0.000 0.977 86 L CB 1.039 43.108 42.059 0.016 0.000 1.313 86 L HN 0.545 nan 8.230 nan 0.000 0.549 87 G N 1.478 110.297 108.800 0.032 0.000 2.160 87 G HA2 -0.288 3.673 3.960 0.001 0.000 0.251 87 G HA3 -0.288 3.673 3.960 0.001 0.000 0.251 87 G C 0.245 175.168 174.900 0.040 0.000 1.008 87 G CA -0.067 45.052 45.100 0.031 0.000 0.724 87 G HN 0.325 nan 8.290 nan 0.000 0.514 88 I N -0.184 120.422 120.570 0.060 0.000 2.533 88 I HA 0.162 4.333 4.170 0.001 0.000 0.284 88 I C 1.448 177.588 176.117 0.039 0.000 1.109 88 I CA 0.277 61.619 61.300 0.069 0.000 1.412 88 I CB 0.962 39.042 38.000 0.133 0.000 1.396 88 I HN 0.095 nan 8.210 nan 0.000 0.543 89 K N 3.007 123.421 120.400 0.024 0.000 2.367 89 K HA 0.169 4.490 4.320 0.001 0.000 0.195 89 K C 0.372 176.965 176.600 -0.013 0.000 1.060 89 K CA 0.205 56.496 56.287 0.005 0.000 1.022 89 K CB 0.705 33.210 32.500 0.009 0.000 0.894 89 K HN 0.537 nan 8.250 nan 0.000 0.540 90 S N 0.824 116.516 115.700 -0.012 0.000 2.548 90 S HA 0.356 4.827 4.470 0.001 0.000 0.276 90 S C -0.182 174.390 174.600 -0.046 0.000 1.129 90 S CA -0.887 57.294 58.200 -0.031 0.000 0.931 90 S CB 1.006 64.203 63.200 -0.005 0.000 1.068 90 S HN 0.296 nan 8.310 nan 0.000 0.480 91 I N 0.113 120.614 120.570 -0.115 0.000 3.884 91 I HA 0.458 4.628 4.170 0.001 0.000 0.330 91 I C -0.519 175.579 176.117 -0.032 0.000 1.451 91 I CA -0.600 60.613 61.300 -0.144 0.000 1.165 91 I CB -0.335 37.400 38.000 -0.443 0.000 1.097 91 I HN 0.309 nan 8.210 nan 0.000 0.404 92 D N 3.218 123.613 120.400 -0.009 0.000 2.586 92 D HA 0.243 4.883 4.640 0.001 0.000 0.234 92 D C 1.371 177.685 176.300 0.024 0.000 1.132 92 D CA 1.940 55.936 54.000 -0.006 0.000 0.860 92 D CB 0.903 41.702 40.800 -0.002 0.000 1.159 92 D HN 0.613 nan 8.370 nan 0.000 0.490 93 G N 0.734 109.503 108.800 -0.051 0.000 2.284 93 G HA2 -0.331 3.630 3.960 0.001 0.000 0.216 93 G HA3 -0.331 3.630 3.960 0.001 0.000 0.216 93 G C 1.208 176.098 174.900 -0.017 0.000 1.009 93 G CA 0.285 45.256 45.100 -0.216 0.000 0.625 93 G HN 0.786 nan 8.290 nan 0.000 0.501 94 V N 0.730 120.765 119.914 0.202 0.000 2.913 94 V HA 0.031 4.151 4.120 0.001 0.000 0.260 94 V C 2.502 178.644 176.094 0.081 0.000 1.098 94 V CA 2.528 64.988 62.300 0.266 0.000 1.121 94 V CB -0.281 31.663 31.823 0.202 0.000 0.714 94 V HN 0.701 nan 8.190 nan 0.000 0.487 95 E N 0.354 120.493 120.200 -0.102 0.000 2.267 95 E HA -0.277 4.073 4.350 0.001 0.000 0.197 95 E C 1.847 178.287 176.600 -0.266 0.000 0.998 95 E CA 1.853 58.113 56.400 -0.233 0.000 0.830 95 E CB -0.775 28.704 29.700 -0.368 0.000 0.751 95 E HN 0.699 nan 8.360 nan 0.000 0.491 96 Y N 1.016 121.305 120.300 -0.018 0.000 2.457 96 Y HA 0.163 4.714 4.550 0.001 0.000 0.292 96 Y C 1.535 177.466 175.900 0.051 0.000 1.125 96 Y CA 0.311 58.404 58.100 -0.012 0.000 1.254 96 Y CB 0.007 38.422 38.460 -0.076 0.000 1.012 96 Y HN -0.079 nan 8.280 nan 0.000 0.555 97 L N 1.721 123.082 121.223 0.229 0.000 2.437 97 L HA 0.044 4.384 4.340 0.001 0.000 0.243 97 L C 0.739 177.680 176.870 0.118 0.000 1.346 97 L CA -0.138 54.818 54.840 0.193 0.000 1.233 97 L CB -0.360 41.837 42.059 0.229 0.000 1.436 97 L HN 0.242 nan 8.230 nan 0.000 0.416 98 N N 0.888 119.646 118.700 0.096 0.000 2.364 98 N HA -0.132 4.608 4.740 0.001 0.000 0.183 98 N C 0.992 176.532 175.510 0.051 0.000 1.022 98 N CA 1.003 54.088 53.050 0.059 0.000 0.883 98 N CB 0.078 38.597 38.487 0.052 0.000 0.965 98 N HN 0.490 nan 8.380 nan 0.000 0.438 99 N N 0.540 119.275 118.700 0.059 0.000 2.270 99 N HA 0.126 4.866 4.740 0.001 0.000 0.198 99 N C 0.000 175.538 175.510 0.046 0.000 1.117 99 N CA -0.072 53.006 53.050 0.047 0.000 0.845 99 N CB 0.492 39.005 38.487 0.043 0.000 0.980 99 N HN 0.229 nan 8.380 nan 0.000 0.486 100 L N 1.231 122.489 121.223 0.058 0.000 2.559 100 L HA -0.032 4.309 4.340 0.001 0.000 0.274 100 L C 1.742 178.638 176.870 0.044 0.000 1.205 100 L CA 0.380 55.255 54.840 0.058 0.000 0.907 100 L CB 0.544 42.653 42.059 0.085 0.000 1.153 100 L HN 0.191 nan 8.230 nan 0.000 0.490 101 T N -0.899 113.675 114.554 0.033 0.000 2.978 101 T HA 0.046 4.396 4.350 0.001 0.000 0.248 101 T C 0.455 175.171 174.700 0.025 0.000 1.018 101 T CA -0.136 61.980 62.100 0.027 0.000 1.026 101 T CB 0.560 69.440 68.868 0.019 0.000 1.032 101 T HN 0.511 nan 8.240 nan 0.000 0.485 102 Q N 1.247 121.060 119.800 0.021 0.000 2.271 102 Q HA 0.569 4.910 4.340 0.001 0.000 0.268 102 Q C -1.728 174.272 176.000 0.000 0.000 1.021 102 Q CA -0.880 54.929 55.803 0.011 0.000 0.802 102 Q CB 2.335 31.071 28.738 -0.003 0.000 1.282 102 Q HN 0.728 nan 8.270 nan 0.000 0.431 103 I N 0.842 121.417 120.570 0.009 0.000 2.647 103 I HA 0.639 4.809 4.170 0.001 0.000 0.295 103 I C -1.109 174.965 176.117 -0.072 0.000 1.078 103 I CA -0.922 60.357 61.300 -0.035 0.000 1.048 103 I CB 2.411 40.498 38.000 0.145 0.000 1.239 103 I HN 0.353 nan 8.210 nan 0.000 0.421 104 N N 4.600 123.154 118.700 -0.243 0.000 2.524 104 N HA 0.437 5.177 4.740 0.001 0.000 0.261 104 N C -1.430 173.832 175.510 -0.414 0.000 0.998 104 N CA -0.557 52.365 53.050 -0.212 0.000 0.915 104 N CB 0.923 39.308 38.487 -0.170 0.000 1.187 104 N HN 0.685 nan 8.380 nan 0.000 0.507 105 F N 0.818 120.747 119.950 -0.036 0.000 2.855 105 F HA 0.220 4.748 4.527 0.001 0.000 0.317 105 F C 1.255 177.023 175.800 -0.053 0.000 1.169 105 F CA -0.510 57.468 58.000 -0.036 0.000 1.299 105 F CB 0.056 39.040 39.000 -0.026 0.000 0.962 105 F HN 0.267 nan 8.300 nan 0.000 0.506 106 S N -0.182 115.535 115.700 0.028 0.000 2.600 106 S HA 0.149 4.619 4.470 0.001 0.000 0.265 106 S C 0.644 175.238 174.600 -0.010 0.000 1.325 106 S CA -0.500 57.684 58.200 -0.026 0.000 1.002 106 S CB 0.434 63.581 63.200 -0.088 0.000 0.921 106 S HN 0.464 nan 8.310 nan 0.000 0.554 107 N N 1.549 120.233 118.700 -0.026 0.000 2.727 107 N HA -0.141 4.600 4.740 0.001 0.000 0.251 107 N C -0.842 174.677 175.510 0.016 0.000 1.040 107 N CA 0.656 53.702 53.050 -0.007 0.000 0.712 107 N CB -1.519 36.965 38.487 -0.005 0.000 0.912 107 N HN 0.684 nan 8.380 nan 0.000 0.545 108 N N 0.245 118.961 118.700 0.026 0.000 3.455 108 N HA 0.320 5.061 4.740 0.001 0.000 0.358 108 N C 0.056 175.581 175.510 0.025 0.000 1.580 108 N CA -0.307 52.768 53.050 0.043 0.000 0.692 108 N CB 0.457 38.999 38.487 0.091 0.000 1.978 108 N HN 0.138 nan 8.380 nan 0.000 0.651 109 Q N 0.731 120.545 119.800 0.023 0.000 2.217 109 Q HA 0.433 4.773 4.340 0.001 0.000 0.340 109 Q C -0.613 175.386 176.000 -0.001 0.000 0.893 109 Q CA -0.130 55.679 55.803 0.010 0.000 1.142 109 Q CB 0.623 29.368 28.738 0.011 0.000 1.288 109 Q HN 0.308 nan 8.270 nan 0.000 0.426 110 L N -0.422 120.796 121.223 -0.008 0.000 2.439 110 L HA 0.177 4.518 4.340 0.001 0.000 0.269 110 L C 1.055 177.907 176.870 -0.030 0.000 1.179 110 L CA 0.384 55.205 54.840 -0.033 0.000 0.828 110 L CB 0.870 42.894 42.059 -0.057 0.000 1.106 110 L HN 0.210 nan 8.230 nan 0.000 0.467 111 T N -1.326 113.206 114.554 -0.037 0.000 3.313 111 T HA 0.009 4.359 4.350 0.001 0.000 0.266 111 T C -0.374 174.304 174.700 -0.036 0.000 0.987 111 T CA -0.077 62.006 62.100 -0.029 0.000 1.086 111 T CB 0.355 69.211 68.868 -0.020 0.000 1.159 111 T HN 0.697 nan 8.240 nan 0.000 0.450 112 D N 1.779 122.152 120.400 -0.044 0.000 2.193 112 D HA 0.334 4.975 4.640 0.001 0.000 0.244 112 D C 0.399 176.656 176.300 -0.071 0.000 1.064 112 D CA -0.807 53.164 54.000 -0.049 0.000 0.845 112 D CB 0.759 41.534 40.800 -0.042 0.000 1.148 112 D HN 0.565 nan 8.370 nan 0.000 0.464 113 I N 0.628 121.154 120.570 -0.072 0.000 3.569 113 I HA 0.232 4.403 4.170 0.001 0.000 0.334 113 I C 0.608 176.676 176.117 -0.081 0.000 1.570 113 I CA -0.602 60.641 61.300 -0.094 0.000 1.082 113 I CB 0.406 38.353 38.000 -0.087 0.000 1.323 113 I HN 0.099 nan 8.210 nan 0.000 0.489 114 T N 2.389 116.900 114.554 -0.071 0.000 2.759 114 T HA -0.045 4.305 4.350 0.001 0.000 0.269 114 T C -0.538 174.115 174.700 -0.078 0.000 1.042 114 T CA 1.890 63.950 62.100 -0.065 0.000 1.140 114 T CB -1.060 67.772 68.868 -0.059 0.000 0.864 114 T HN 0.396 nan 8.240 nan 0.000 0.455 115 P HA 0.051 nan 4.420 nan 0.000 0.226 115 P C 1.156 178.404 177.300 -0.087 0.000 1.146 115 P CA 0.700 63.737 63.100 -0.104 0.000 0.773 115 P CB -0.262 31.373 31.700 -0.108 0.000 0.772 116 L N -0.742 120.437 121.223 -0.074 0.000 2.478 116 L HA -0.053 4.287 4.340 0.001 0.000 0.223 116 L C 2.391 179.239 176.870 -0.037 0.000 1.140 116 L CA 0.883 55.697 54.840 -0.044 0.000 0.842 116 L CB -0.617 41.420 42.059 -0.037 0.000 0.953 116 L HN 0.028 nan 8.230 nan 0.000 0.452 117 K N 1.331 121.702 120.400 -0.048 0.000 2.113 117 K HA -0.200 4.120 4.320 0.001 0.000 0.208 117 K C 0.990 177.570 176.600 -0.033 0.000 1.047 117 K CA 1.938 58.201 56.287 -0.039 0.000 0.928 117 K CB 0.038 32.510 32.500 -0.046 0.000 0.716 117 K HN 0.395 nan 8.250 nan 0.000 0.446 118 N N -0.110 118.565 118.700 -0.041 0.000 2.214 118 N HA 0.143 4.883 4.740 0.001 0.000 0.214 118 N C -0.835 174.662 175.510 -0.022 0.000 1.132 118 N CA -0.228 52.802 53.050 -0.034 0.000 0.856 118 N CB 0.610 39.069 38.487 -0.046 0.000 1.020 118 N HN 0.028 nan 8.380 nan 0.000 0.509 119 L N 1.716 122.931 121.223 -0.014 0.000 2.423 119 L HA 0.143 4.483 4.340 0.001 0.000 0.249 119 L C 1.279 178.155 176.870 0.011 0.000 1.276 119 L CA -0.089 54.754 54.840 0.005 0.000 1.199 119 L CB -0.515 41.556 42.059 0.020 0.000 1.407 119 L HN 0.272 nan 8.230 nan 0.000 0.410 120 T N -3.813 110.745 114.554 0.007 0.000 3.118 120 T HA -0.042 4.309 4.350 0.001 0.000 0.260 120 T C 1.401 176.109 174.700 0.013 0.000 1.139 120 T CA 0.312 62.417 62.100 0.008 0.000 1.085 120 T CB -0.049 68.820 68.868 0.003 0.000 0.934 120 T HN 0.389 nan 8.240 nan 0.000 0.518 121 K N 0.661 121.071 120.400 0.017 0.000 2.487 121 K HA 0.265 4.586 4.320 0.001 0.000 0.192 121 K C 0.309 176.923 176.600 0.023 0.000 1.027 121 K CA -0.082 56.217 56.287 0.020 0.000 1.054 121 K CB -0.160 32.353 32.500 0.022 0.000 0.824 121 K HN 0.411 nan 8.250 nan 0.000 0.510 122 L N 1.883 123.122 121.223 0.026 0.000 2.513 122 L HA -0.054 4.286 4.340 0.001 0.000 0.272 122 L C 1.409 178.295 176.870 0.025 0.000 1.187 122 L CA -0.218 54.641 54.840 0.031 0.000 0.895 122 L CB 0.769 42.851 42.059 0.038 0.000 1.147 122 L HN 0.027 nan 8.230 nan 0.000 0.483 123 V N -1.077 118.852 119.914 0.025 0.000 3.455 123 V HA 0.301 4.422 4.120 0.001 0.000 0.250 123 V C 0.222 176.330 176.094 0.023 0.000 1.230 123 V CA 0.227 62.540 62.300 0.021 0.000 1.105 123 V CB 0.779 32.612 31.823 0.018 0.000 0.850 123 V HN 0.754 nan 8.190 nan 0.000 0.461 124 D N -0.245 120.170 120.400 0.025 0.000 2.757 124 D HA 0.660 5.300 4.640 0.001 0.000 0.249 124 D C -1.170 175.149 176.300 0.033 0.000 1.168 124 D CA -0.267 53.748 54.000 0.026 0.000 0.870 124 D CB 2.006 42.818 40.800 0.018 0.000 1.411 124 D HN 0.329 nan 8.370 nan 0.000 0.525 125 I N 3.675 124.268 120.570 0.037 0.000 2.447 125 I HA 0.305 4.475 4.170 0.001 0.000 0.287 125 I C -1.186 174.952 176.117 0.034 0.000 1.023 125 I CA -0.951 60.379 61.300 0.049 0.000 1.083 125 I CB 1.596 39.630 38.000 0.056 0.000 1.245 125 I HN 0.192 nan 8.210 nan 0.000 0.434 126 L N 7.251 128.490 121.223 0.026 0.000 2.294 126 L HA 0.482 4.822 4.340 0.001 0.000 0.283 126 L C 0.007 176.874 176.870 -0.005 0.000 1.015 126 L CA 0.180 55.015 54.840 -0.008 0.000 0.831 126 L CB 1.099 43.144 42.059 -0.022 0.000 1.217 126 L HN 0.683 nan 8.230 nan 0.000 0.420 127 M N 3.012 122.578 119.600 -0.057 0.000 3.340 127 M HA 0.159 4.640 4.480 0.001 0.000 0.471 127 M C -0.112 176.093 176.300 -0.158 0.000 1.550 127 M CA -0.285 54.989 55.300 -0.043 0.000 0.754 127 M CB 0.243 32.850 32.600 0.011 0.000 1.485 127 M HN 0.611 nan 8.290 nan 0.000 0.530 128 N N 0.565 119.059 118.700 -0.343 0.000 2.381 128 N HA -0.004 4.736 4.740 0.001 0.000 0.241 128 N C -0.580 174.736 175.510 -0.325 0.000 1.279 128 N CA 0.477 53.166 53.050 -0.601 0.000 0.896 128 N CB 0.227 37.792 38.487 -1.535 0.000 1.118 128 N HN 0.357 nan 8.380 nan 0.000 0.438 129 N N 0.058 118.613 118.700 -0.241 0.000 2.726 129 N HA -0.144 4.597 4.740 0.001 0.000 0.253 129 N C -1.029 174.451 175.510 -0.051 0.000 1.059 129 N CA 0.494 53.490 53.050 -0.090 0.000 0.701 129 N CB -0.833 37.619 38.487 -0.058 0.000 0.899 129 N HN 0.684 nan 8.380 nan 0.000 0.548 130 N N 0.314 118.988 118.700 -0.044 0.000 3.455 130 N HA 0.323 5.063 4.740 0.001 0.000 0.358 130 N C -0.120 175.383 175.510 -0.012 0.000 1.580 130 N CA -0.313 52.725 53.050 -0.021 0.000 0.692 130 N CB 0.550 39.023 38.487 -0.023 0.000 1.978 130 N HN 0.162 nan 8.380 nan 0.000 0.651 131 Q N 0.726 120.520 119.800 -0.010 0.000 2.333 131 Q HA 0.460 4.800 4.340 0.001 0.000 0.365 131 Q C -0.790 175.204 176.000 -0.010 0.000 0.882 131 Q CA -0.080 55.720 55.803 -0.005 0.000 1.124 131 Q CB 0.645 29.381 28.738 -0.002 0.000 1.345 131 Q HN 0.416 nan 8.270 nan 0.000 0.409 132 I N 0.362 120.924 120.570 -0.013 0.000 2.395 132 I HA 0.213 4.383 4.170 0.001 0.000 0.289 132 I C 0.821 176.934 176.117 -0.007 0.000 1.023 132 I CA 0.015 61.306 61.300 -0.015 0.000 1.350 132 I CB 1.477 39.465 38.000 -0.021 0.000 1.409 132 I HN 0.324 nan 8.210 nan 0.000 0.507 133 A N 3.908 126.723 122.820 -0.008 0.000 2.138 133 A HA 0.129 4.449 4.320 0.001 0.000 0.203 133 A C 0.397 177.977 177.584 -0.006 0.000 1.286 133 A CA 0.202 52.237 52.037 -0.004 0.000 0.929 133 A CB 0.277 19.274 19.000 -0.004 0.000 0.975 133 A HN 0.632 nan 8.150 nan 0.000 0.480 134 D N 0.527 120.920 120.400 -0.011 0.000 2.440 134 D HA 0.431 5.071 4.640 0.001 0.000 0.239 134 D C 0.213 176.504 176.300 -0.016 0.000 1.084 134 D CA -0.434 53.558 54.000 -0.013 0.000 0.843 134 D CB 0.891 41.681 40.800 -0.016 0.000 1.097 134 D HN 0.364 nan 8.370 nan 0.000 0.531 135 I N 0.631 121.194 120.570 -0.012 0.000 3.914 135 I HA 0.203 4.374 4.170 0.001 0.000 0.333 135 I C 1.135 177.244 176.117 -0.013 0.000 1.449 135 I CA -0.445 60.848 61.300 -0.012 0.000 1.135 135 I CB 0.331 38.328 38.000 -0.005 0.000 1.073 135 I HN 0.018 nan 8.210 nan 0.000 0.401 136 T N 2.319 116.864 114.554 -0.015 0.000 2.685 136 T HA -0.092 4.259 4.350 0.001 0.000 0.268 136 T C -0.386 174.303 174.700 -0.018 0.000 1.034 136 T CA 2.026 64.117 62.100 -0.016 0.000 1.149 136 T CB -1.232 67.626 68.868 -0.017 0.000 0.860 136 T HN 0.385 nan 8.240 nan 0.000 0.449 137 P HA 0.015 nan 4.420 nan 0.000 0.223 137 P C 1.026 178.314 177.300 -0.020 0.000 1.144 137 P CA 0.826 63.910 63.100 -0.026 0.000 0.783 137 P CB -0.300 31.378 31.700 -0.036 0.000 0.771 138 L N -2.240 118.975 121.223 -0.014 0.000 2.599 138 L HA 0.145 4.485 4.340 0.001 0.000 0.230 138 L C 2.186 179.053 176.870 -0.004 0.000 1.141 138 L CA 0.317 55.153 54.840 -0.006 0.000 0.877 138 L CB -0.817 41.242 42.059 -0.000 0.000 1.009 138 L HN -0.071 nan 8.230 nan 0.000 0.447 139 A N 0.325 123.141 122.820 -0.008 0.000 2.015 139 A HA -0.158 4.162 4.320 0.001 0.000 0.219 139 A C 1.996 179.577 177.584 -0.005 0.000 1.163 139 A CA 1.441 53.475 52.037 -0.006 0.000 0.646 139 A CB -0.309 18.686 19.000 -0.009 0.000 0.806 139 A HN 0.379 nan 8.150 nan 0.000 0.448 140 N N -0.314 118.382 118.700 -0.006 0.000 2.236 140 N HA 0.158 4.898 4.740 0.001 0.000 0.196 140 N C -0.084 175.425 175.510 -0.002 0.000 1.114 140 N CA 0.094 53.141 53.050 -0.005 0.000 0.859 140 N CB 0.114 38.596 38.487 -0.009 0.000 0.982 140 N HN 0.401 nan 8.380 nan 0.000 0.493 141 L N 1.781 123.004 121.223 0.001 0.000 2.480 141 L HA 0.157 4.497 4.340 0.001 0.000 0.243 141 L C 1.323 178.198 176.870 0.008 0.000 1.315 141 L CA -0.058 54.785 54.840 0.005 0.000 1.231 141 L CB -0.273 41.791 42.059 0.008 0.000 1.444 141 L HN 0.027 nan 8.230 nan 0.000 0.409 142 T N -4.410 110.147 114.554 0.006 0.000 3.118 142 T HA -0.019 4.331 4.350 0.001 0.000 0.260 142 T C 1.305 176.010 174.700 0.009 0.000 1.139 142 T CA 0.232 62.336 62.100 0.007 0.000 1.085 142 T CB -0.057 68.814 68.868 0.005 0.000 0.934 142 T HN 0.341 nan 8.240 nan 0.000 0.518 143 N N 0.977 119.683 118.700 0.011 0.000 2.398 143 N HA 0.202 4.943 4.740 0.001 0.000 0.188 143 N C 0.172 175.691 175.510 0.015 0.000 1.122 143 N CA 0.005 53.063 53.050 0.012 0.000 0.866 143 N CB -0.026 38.469 38.487 0.012 0.000 0.970 143 N HN 0.465 nan 8.380 nan 0.000 0.462 144 L N 1.494 122.727 121.223 0.017 0.000 2.534 144 L HA -0.010 4.330 4.340 0.001 0.000 0.271 144 L C 1.700 178.582 176.870 0.020 0.000 1.178 144 L CA 0.184 55.036 54.840 0.020 0.000 0.907 144 L CB 0.542 42.614 42.059 0.022 0.000 1.164 144 L HN 0.152 nan 8.230 nan 0.000 0.482 145 T N -1.590 112.976 114.554 0.021 0.000 2.990 145 T HA 0.199 4.550 4.350 0.001 0.000 0.249 145 T C 0.683 175.399 174.700 0.027 0.000 1.039 145 T CA 0.275 62.389 62.100 0.022 0.000 1.036 145 T CB 0.484 69.363 68.868 0.019 0.000 0.994 145 T HN 0.602 nan 8.240 nan 0.000 0.489 146 G N 1.338 110.156 108.800 0.029 0.000 2.683 146 G HA2 0.625 4.585 3.960 0.001 0.000 0.299 146 G HA3 0.625 4.585 3.960 0.001 0.000 0.299 146 G C -1.981 172.942 174.900 0.039 0.000 1.432 146 G CA -0.613 44.508 45.100 0.035 0.000 0.978 146 G HN 0.322 nan 8.290 nan 0.000 0.513 147 L N 1.937 123.188 121.223 0.048 0.000 2.491 147 L HA 0.694 5.035 4.340 0.001 0.000 0.267 147 L C -0.487 176.421 176.870 0.064 0.000 0.971 147 L CA -0.299 54.570 54.840 0.048 0.000 0.857 147 L CB 2.250 44.335 42.059 0.043 0.000 1.226 147 L HN 0.384 nan 8.230 nan 0.000 0.408 148 T N 6.624 121.208 114.554 0.051 0.000 2.772 148 T HA 0.545 4.896 4.350 0.001 0.000 0.288 148 T C 0.520 175.203 174.700 -0.027 0.000 0.994 148 T CA -0.077 62.059 62.100 0.060 0.000 0.951 148 T CB 0.802 69.698 68.868 0.047 0.000 0.933 148 T HN 0.567 nan 8.240 nan 0.000 0.447 149 L N 3.223 124.454 121.223 0.012 0.000 3.429 149 L HA 0.363 4.704 4.340 0.001 0.000 0.311 149 L C -0.104 176.762 176.870 -0.007 0.000 1.274 149 L CA -0.577 54.245 54.840 -0.031 0.000 1.037 149 L CB 0.214 42.288 42.059 0.025 0.000 1.433 149 L HN 0.624 nan 8.230 nan 0.000 0.614 150 F N -1.161 118.809 119.950 0.032 0.000 2.450 150 F HA 0.368 4.896 4.527 0.001 0.000 0.339 150 F C 1.104 176.919 175.800 0.025 0.000 1.146 150 F CA -0.671 57.346 58.000 0.029 0.000 1.267 150 F CB 0.086 39.099 39.000 0.021 0.000 1.178 150 F HN 0.085 nan 8.300 nan 0.000 0.585 151 N N 1.993 120.843 118.700 0.249 0.000 2.726 151 N HA -0.236 4.505 4.740 0.001 0.000 0.253 151 N C -1.404 174.130 175.510 0.039 0.000 1.059 151 N CA 0.573 53.710 53.050 0.145 0.000 0.701 151 N CB -1.136 37.469 38.487 0.197 0.000 0.899 151 N HN 0.888 nan 8.380 nan 0.000 0.548 152 N N 0.191 118.916 118.700 0.042 0.000 3.369 152 N HA 0.367 5.107 4.740 0.001 0.000 0.362 152 N C -0.406 175.121 175.510 0.028 0.000 1.523 152 N CA -0.322 52.739 53.050 0.018 0.000 0.684 152 N CB 0.364 38.852 38.487 0.002 0.000 1.796 152 N HN 0.303 nan 8.380 nan 0.000 0.641 153 Q N 0.748 120.559 119.800 0.019 0.000 2.318 153 Q HA 0.460 4.801 4.340 0.001 0.000 0.371 153 Q C -0.750 175.260 176.000 0.017 0.000 0.896 153 Q CA -0.101 55.713 55.803 0.019 0.000 1.134 153 Q CB 0.588 29.334 28.738 0.013 0.000 1.329 153 Q HN 0.411 nan 8.270 nan 0.000 0.413 154 I N -0.089 120.495 120.570 0.024 0.000 2.474 154 I HA 0.105 4.276 4.170 0.001 0.000 0.287 154 I C 0.900 177.030 176.117 0.021 0.000 1.048 154 I CA 0.377 61.688 61.300 0.020 0.000 1.383 154 I CB 1.542 39.558 38.000 0.026 0.000 1.412 154 I HN 0.194 nan 8.210 nan 0.000 0.531 155 T N 1.710 116.271 114.554 0.011 0.000 3.125 155 T HA 0.029 4.379 4.350 0.001 0.000 0.252 155 T C 0.016 174.714 174.700 -0.003 0.000 0.981 155 T CA 0.046 62.150 62.100 0.007 0.000 1.069 155 T CB 0.102 68.973 68.868 0.004 0.000 1.091 155 T HN 0.564 nan 8.240 nan 0.000 0.460 156 D N 2.209 122.606 120.400 -0.005 0.000 2.339 156 D HA 0.204 4.844 4.640 0.001 0.000 0.241 156 D C 0.724 177.017 176.300 -0.011 0.000 1.183 156 D CA -0.383 53.610 54.000 -0.011 0.000 0.859 156 D CB 0.375 41.169 40.800 -0.011 0.000 1.067 156 D HN 0.451 nan 8.370 nan 0.000 0.484 157 I N 0.247 120.806 120.570 -0.018 0.000 3.941 157 I HA 0.328 4.498 4.170 0.001 0.000 0.335 157 I C 1.128 177.233 176.117 -0.019 0.000 1.402 157 I CA -0.402 60.889 61.300 -0.016 0.000 1.112 157 I CB 0.365 38.354 38.000 -0.019 0.000 1.043 157 I HN 0.167 nan 8.210 nan 0.000 0.395 158 D N 3.399 123.786 120.400 -0.021 0.000 2.149 158 D HA -0.156 4.485 4.640 0.001 0.000 0.194 158 D C -0.550 175.742 176.300 -0.014 0.000 1.001 158 D CA 2.019 56.008 54.000 -0.019 0.000 0.849 158 D CB -0.643 40.147 40.800 -0.018 0.000 0.939 158 D HN 0.291 nan 8.370 nan 0.000 0.449 159 P HA -0.073 nan 4.420 nan 0.000 0.226 159 P C 0.922 178.219 177.300 -0.005 0.000 1.146 159 P CA 0.788 63.883 63.100 -0.008 0.000 0.773 159 P CB -0.076 31.619 31.700 -0.008 0.000 0.772 160 L N -0.329 120.891 121.223 -0.005 0.000 2.554 160 L HA 0.023 4.363 4.340 0.001 0.000 0.226 160 L C 2.313 179.182 176.870 -0.002 0.000 1.137 160 L CA 0.570 55.410 54.840 0.000 0.000 0.863 160 L CB -0.730 41.331 42.059 0.004 0.000 0.985 160 L HN 0.120 nan 8.230 nan 0.000 0.451 161 K N -0.359 120.037 120.400 -0.007 0.000 2.209 161 K HA -0.125 4.195 4.320 0.001 0.000 0.204 161 K C 0.967 177.565 176.600 -0.004 0.000 1.048 161 K CA 1.315 57.597 56.287 -0.008 0.000 0.940 161 K CB -0.155 32.338 32.500 -0.012 0.000 0.729 161 K HN 0.240 nan 8.250 nan 0.000 0.451 162 N N 0.973 119.671 118.700 -0.002 0.000 2.268 162 N HA 0.110 4.850 4.740 0.001 0.000 0.204 162 N C -0.180 175.332 175.510 0.003 0.000 1.124 162 N CA 0.172 53.222 53.050 -0.000 0.000 0.838 162 N CB 0.458 38.944 38.487 -0.002 0.000 0.994 162 N HN 0.214 nan 8.380 nan 0.000 0.489 163 L N 1.633 122.859 121.223 0.005 0.000 2.583 163 L HA 0.124 4.465 4.340 0.001 0.000 0.239 163 L C 1.476 178.353 176.870 0.011 0.000 1.347 163 L CA -0.055 54.791 54.840 0.009 0.000 1.246 163 L CB -0.655 41.411 42.059 0.012 0.000 1.496 163 L HN 0.061 nan 8.230 nan 0.000 0.413 164 T N -4.557 110.002 114.554 0.009 0.000 3.118 164 T HA -0.035 4.316 4.350 0.001 0.000 0.260 164 T C 1.297 176.004 174.700 0.012 0.000 1.139 164 T CA 0.348 62.453 62.100 0.010 0.000 1.085 164 T CB -0.110 68.762 68.868 0.007 0.000 0.934 164 T HN 0.343 nan 8.240 nan 0.000 0.518 165 N N 0.882 119.589 118.700 0.013 0.000 2.336 165 N HA 0.221 4.962 4.740 0.001 0.000 0.189 165 N C 0.200 175.721 175.510 0.017 0.000 1.113 165 N CA -0.033 53.025 53.050 0.014 0.000 0.858 165 N CB -0.020 38.475 38.487 0.012 0.000 0.970 165 N HN 0.471 nan 8.380 nan 0.000 0.471 166 L N 2.481 123.716 121.223 0.020 0.000 2.559 166 L HA -0.021 4.319 4.340 0.001 0.000 0.274 166 L C 1.559 178.444 176.870 0.026 0.000 1.205 166 L CA 0.186 55.042 54.840 0.026 0.000 0.907 166 L CB 0.367 42.444 42.059 0.030 0.000 1.153 166 L HN 0.296 nan 8.230 nan 0.000 0.490 167 N N 3.606 122.322 118.700 0.027 0.000 2.250 167 N HA 0.023 4.763 4.740 0.001 0.000 0.190 167 N C 0.480 176.009 175.510 0.031 0.000 1.116 167 N CA -0.291 52.775 53.050 0.026 0.000 0.881 167 N CB 0.955 39.454 38.487 0.021 0.000 1.006 167 N HN 0.523 nan 8.380 nan 0.000 0.491 168 R N 0.807 121.329 120.500 0.037 0.000 2.532 168 R HA 0.430 4.770 4.340 0.001 0.000 0.297 168 R C -2.040 174.295 176.300 0.058 0.000 0.984 168 R CA -0.605 55.522 56.100 0.045 0.000 0.884 168 R CB 1.449 31.775 30.300 0.043 0.000 1.182 168 R HN 0.107 nan 8.270 nan 0.000 0.442 169 L N 3.576 124.842 121.223 0.071 0.000 2.491 169 L HA 0.431 4.772 4.340 0.001 0.000 0.267 169 L C -1.596 175.343 176.870 0.115 0.000 0.971 169 L CA -0.154 54.740 54.840 0.090 0.000 0.857 169 L CB 2.022 44.134 42.059 0.088 0.000 1.226 169 L HN 0.649 nan 8.230 nan 0.000 0.408 170 E N 5.783 126.070 120.200 0.145 0.000 2.165 170 E HA 0.555 4.906 4.350 0.001 0.000 0.266 170 E C -0.247 176.491 176.600 0.231 0.000 0.889 170 E CA -0.158 56.358 56.400 0.193 0.000 0.756 170 E CB 1.907 31.784 29.700 0.294 0.000 1.131 170 E HN 0.633 nan 8.360 nan 0.000 0.411 171 L N 1.933 123.281 121.223 0.210 0.000 3.519 171 L HA 0.142 4.483 4.340 0.001 0.000 0.323 171 L C 0.300 177.289 176.870 0.199 0.000 1.289 171 L CA -0.227 54.736 54.840 0.205 0.000 1.039 171 L CB 0.693 42.866 42.059 0.190 0.000 1.438 171 L HN 0.461 nan 8.230 nan 0.000 0.619 172 S N -1.268 114.531 115.700 0.165 0.000 2.596 172 S HA 0.176 4.646 4.470 0.001 0.000 0.260 172 S C 0.961 175.649 174.600 0.146 0.000 1.336 172 S CA 0.179 58.440 58.200 0.101 0.000 0.993 172 S CB 1.006 64.189 63.200 -0.028 0.000 0.923 172 S HN 0.254 nan 8.310 nan 0.000 0.567 173 S N 1.232 116.990 115.700 0.096 0.000 3.631 173 S HA -0.130 4.341 4.470 0.001 0.000 0.366 173 S C -0.022 174.641 174.600 0.106 0.000 0.993 173 S CA 0.763 59.024 58.200 0.101 0.000 1.167 173 S CB -2.067 61.210 63.200 0.127 0.000 0.909 173 S HN 0.779 nan 8.310 nan 0.000 0.478 174 N N 0.159 118.917 118.700 0.096 0.000 3.201 174 N HA 0.558 5.299 4.740 0.001 0.000 0.344 174 N C 0.279 175.828 175.510 0.064 0.000 1.465 174 N CA -0.014 53.083 53.050 0.078 0.000 0.731 174 N CB 1.269 39.807 38.487 0.086 0.000 1.677 174 N HN 0.329 nan 8.380 nan 0.000 0.631 175 T N -1.414 113.171 114.554 0.050 0.000 3.483 175 T HA 0.493 4.843 4.350 0.001 0.000 0.258 175 T C 0.275 174.995 174.700 0.034 0.000 1.013 175 T CA -0.343 61.781 62.100 0.040 0.000 1.078 175 T CB -1.086 67.799 68.868 0.028 0.000 1.111 175 T HN 0.263 nan 8.240 nan 0.000 0.538 176 I N 2.360 122.957 120.570 0.045 0.000 2.529 176 I HA 0.244 4.414 4.170 0.001 0.000 0.284 176 I C 1.447 177.572 176.117 0.014 0.000 1.082 176 I CA -0.281 61.032 61.300 0.021 0.000 1.406 176 I CB 1.405 39.417 38.000 0.020 0.000 1.405 176 I HN 0.517 nan 8.210 nan 0.000 0.548 177 S N 1.929 117.621 115.700 -0.012 0.000 2.539 177 S HA 0.123 4.594 4.470 0.001 0.000 0.226 177 S C 0.153 174.722 174.600 -0.052 0.000 1.054 177 S CA -0.287 57.903 58.200 -0.017 0.000 0.910 177 S CB 0.259 63.455 63.200 -0.008 0.000 0.818 177 S HN 0.681 nan 8.310 nan 0.000 0.490 178 D N 1.597 121.952 120.400 -0.074 0.000 2.549 178 D HA 0.388 5.029 4.640 0.001 0.000 0.251 178 D C 0.117 176.335 176.300 -0.137 0.000 1.153 178 D CA -0.753 53.193 54.000 -0.090 0.000 0.861 178 D CB 1.331 42.097 40.800 -0.057 0.000 1.207 178 D HN 0.410 nan 8.370 nan 0.000 0.543 179 I N 1.240 121.692 120.570 -0.196 0.000 3.816 179 I HA 0.216 4.387 4.170 0.001 0.000 0.334 179 I C 1.228 177.250 176.117 -0.158 0.000 1.551 179 I CA -0.431 60.717 61.300 -0.253 0.000 1.153 179 I CB 0.241 37.934 38.000 -0.511 0.000 1.197 179 I HN 0.176 nan 8.210 nan 0.000 0.439 180 S N 1.646 117.284 115.700 -0.103 0.000 2.399 180 S HA -0.117 4.353 4.470 0.001 0.000 0.231 180 S C 2.149 176.715 174.600 -0.056 0.000 1.022 180 S CA 0.926 59.085 58.200 -0.068 0.000 0.983 180 S CB -0.408 62.763 63.200 -0.049 0.000 0.803 180 S HN 0.598 nan 8.310 nan 0.000 0.480 181 A N 1.954 124.739 122.820 -0.058 0.000 2.076 181 A HA 0.119 4.439 4.320 0.001 0.000 0.220 181 A C 2.155 179.716 177.584 -0.038 0.000 1.160 181 A CA 1.263 53.275 52.037 -0.042 0.000 0.653 181 A CB -0.848 18.129 19.000 -0.039 0.000 0.801 181 A HN 0.613 nan 8.150 nan 0.000 0.455 182 L N 0.506 121.695 121.223 -0.055 0.000 2.478 182 L HA -0.088 4.253 4.340 0.001 0.000 0.223 182 L C 2.659 179.518 176.870 -0.018 0.000 1.140 182 L CA 0.964 55.783 54.840 -0.035 0.000 0.842 182 L CB -0.551 41.477 42.059 -0.052 0.000 0.953 182 L HN 0.575 nan 8.230 nan 0.000 0.452 183 S N 0.068 115.754 115.700 -0.024 0.000 2.419 183 S HA -0.114 4.356 4.470 0.001 0.000 0.233 183 S C 1.806 176.404 174.600 -0.004 0.000 1.016 183 S CA 1.070 59.262 58.200 -0.013 0.000 0.974 183 S CB -0.580 62.610 63.200 -0.017 0.000 0.786 183 S HN 0.442 nan 8.310 nan 0.000 0.492 184 G N 0.683 109.480 108.800 -0.004 0.000 3.189 184 G HA2 0.385 4.345 3.960 0.001 0.000 0.225 184 G HA3 0.385 4.345 3.960 0.001 0.000 0.225 184 G C 0.426 175.329 174.900 0.005 0.000 1.159 184 G CA -0.454 44.646 45.100 0.000 0.000 0.763 184 G HN 0.515 nan 8.290 nan 0.000 0.549 185 L N 2.823 124.051 121.223 0.008 0.000 2.480 185 L HA 0.164 4.505 4.340 0.001 0.000 0.243 185 L C 1.532 178.413 176.870 0.018 0.000 1.315 185 L CA -0.167 54.681 54.840 0.015 0.000 1.231 185 L CB -0.262 41.809 42.059 0.020 0.000 1.444 185 L HN 0.143 nan 8.230 nan 0.000 0.409 186 T N -5.213 109.350 114.554 0.014 0.000 3.252 186 T HA 0.022 4.373 4.350 0.001 0.000 0.250 186 T C 1.274 175.983 174.700 0.015 0.000 1.123 186 T CA 0.018 62.127 62.100 0.014 0.000 1.006 186 T CB 0.121 68.995 68.868 0.011 0.000 0.992 186 T HN 0.340 nan 8.240 nan 0.000 0.547 187 S N 0.432 116.142 115.700 0.017 0.000 2.539 187 S HA 0.381 4.851 4.470 0.001 0.000 0.221 187 S C 0.516 175.128 174.600 0.020 0.000 0.987 187 S CA -0.537 57.673 58.200 0.017 0.000 0.929 187 S CB -0.081 63.128 63.200 0.015 0.000 0.832 187 S HN 0.493 nan 8.310 nan 0.000 0.492 188 L N 2.306 123.544 121.223 0.026 0.000 2.513 188 L HA 0.057 4.397 4.340 0.001 0.000 0.272 188 L C 1.334 178.220 176.870 0.027 0.000 1.187 188 L CA 0.414 55.273 54.840 0.032 0.000 0.895 188 L CB 0.485 42.570 42.059 0.044 0.000 1.147 188 L HN 0.304 nan 8.230 nan 0.000 0.483 189 Q N 1.985 121.800 119.800 0.025 0.000 2.442 189 Q HA 0.142 4.482 4.340 0.001 0.000 0.228 189 Q C -0.235 175.774 176.000 0.016 0.000 0.902 189 Q CA 0.370 56.184 55.803 0.018 0.000 0.933 189 Q CB 0.780 29.526 28.738 0.014 0.000 1.071 189 Q HN 0.636 nan 8.270 nan 0.000 0.562 190 Q N 0.705 120.517 119.800 0.021 0.000 2.337 190 Q HA 0.596 4.936 4.340 0.001 0.000 0.270 190 Q C -1.794 174.223 176.000 0.029 0.000 1.043 190 Q CA -0.525 55.287 55.803 0.015 0.000 0.794 190 Q CB 2.660 31.405 28.738 0.012 0.000 1.281 190 Q HN -0.027 nan 8.270 nan 0.000 0.446 191 L N 1.672 122.905 121.223 0.016 0.000 2.543 191 L HA 0.633 4.974 4.340 0.001 0.000 0.265 191 L C -1.488 175.365 176.870 -0.029 0.000 0.945 191 L CA -0.013 54.854 54.840 0.044 0.000 0.869 191 L CB 2.370 44.487 42.059 0.096 0.000 1.294 191 L HN 0.723 nan 8.230 nan 0.000 0.405 192 S N 3.129 118.822 115.700 -0.012 0.000 2.570 192 S HA 0.985 5.456 4.470 0.001 0.000 0.286 192 S C -0.877 173.727 174.600 0.008 0.000 1.099 192 S CA -0.525 57.590 58.200 -0.142 0.000 0.913 192 S CB 2.036 65.166 63.200 -0.117 0.000 1.085 192 S HN 0.952 nan 8.310 nan 0.000 0.480 193 F N -1.998 117.957 119.950 0.009 0.000 2.741 193 F HA 0.953 5.480 4.527 0.001 0.000 0.311 193 F C -0.317 175.490 175.800 0.013 0.000 1.149 193 F CA -0.321 57.691 58.000 0.020 0.000 0.930 193 F CB 1.041 40.053 39.000 0.019 0.000 1.312 193 F HN 1.110 nan 8.300 nan 0.000 0.450 194 G N 0.648 109.635 108.800 0.311 0.000 2.451 194 G HA2 0.395 4.355 3.960 0.001 0.000 0.292 194 G HA3 0.395 4.355 3.960 0.001 0.000 0.292 194 G C -1.878 173.106 174.900 0.140 0.000 1.427 194 G CA -0.554 44.664 45.100 0.197 0.000 0.792 194 G HN 1.310 nan 8.290 nan 0.000 0.498 195 N N -0.990 117.768 118.700 0.097 0.000 2.299 195 N HA 0.125 4.865 4.740 0.001 0.000 0.246 195 N C 0.040 175.591 175.510 0.068 0.000 1.254 195 N CA -0.239 52.859 53.050 0.080 0.000 0.879 195 N CB 1.016 39.534 38.487 0.052 0.000 1.214 195 N HN 0.352 nan 8.380 nan 0.000 0.510 196 Q N 0.304 120.148 119.800 0.072 0.000 2.084 196 Q HA 0.282 4.622 4.340 0.001 0.000 0.230 196 Q C -0.534 175.495 176.000 0.047 0.000 0.806 196 Q CA -0.142 55.690 55.803 0.048 0.000 1.083 196 Q CB 1.809 30.565 28.738 0.031 0.000 1.208 196 Q HN 0.127 nan 8.270 nan 0.000 0.462 197 V N 1.245 121.207 119.914 0.081 0.000 2.498 197 V HA 0.183 4.304 4.120 0.001 0.000 0.279 197 V C 1.049 177.185 176.094 0.071 0.000 1.048 197 V CA 0.511 62.853 62.300 0.070 0.000 0.967 197 V CB 1.519 33.420 31.823 0.131 0.000 0.988 197 V HN 0.221 nan 8.190 nan 0.000 0.473 198 T N 1.667 116.243 114.554 0.038 0.000 2.999 198 T HA 0.082 4.432 4.350 0.001 0.000 0.247 198 T C 0.302 175.021 174.700 0.032 0.000 1.012 198 T CA 0.102 62.224 62.100 0.035 0.000 1.048 198 T CB 0.144 69.024 68.868 0.020 0.000 1.020 198 T HN 0.696 nan 8.240 nan 0.000 0.478 199 D N 1.325 121.732 120.400 0.013 0.000 2.392 199 D HA 0.300 4.941 4.640 0.001 0.000 0.228 199 D C 0.482 176.781 176.300 -0.001 0.000 1.074 199 D CA -0.366 53.637 54.000 0.004 0.000 0.838 199 D CB 0.697 41.490 40.800 -0.011 0.000 1.067 199 D HN 0.118 nan 8.370 nan 0.000 0.511 200 L N 3.385 124.624 121.223 0.027 0.000 2.607 200 L HA 0.181 4.521 4.340 0.001 0.000 0.228 200 L C 2.054 178.938 176.870 0.024 0.000 1.123 200 L CA -0.184 54.684 54.840 0.047 0.000 0.890 200 L CB 0.047 42.164 42.059 0.097 0.000 1.103 200 L HN 0.306 nan 8.230 nan 0.000 0.468 201 K N 1.025 121.429 120.400 0.007 0.000 2.089 201 K HA -0.198 4.123 4.320 0.001 0.000 0.210 201 K C -0.535 176.063 176.600 -0.004 0.000 1.048 201 K CA 1.670 57.958 56.287 0.002 0.000 0.926 201 K CB -1.031 31.467 32.500 -0.003 0.000 0.714 201 K HN 0.246 nan 8.250 nan 0.000 0.448 202 P HA -0.150 nan 4.420 nan 0.000 0.222 202 P C 0.663 177.957 177.300 -0.009 0.000 1.142 202 P CA 1.068 64.151 63.100 -0.028 0.000 0.788 202 P CB 0.023 31.684 31.700 -0.065 0.000 0.767 203 L N -1.981 119.250 121.223 0.013 0.000 2.552 203 L HA 0.030 4.370 4.340 0.001 0.000 0.227 203 L C 2.287 179.176 176.870 0.030 0.000 1.146 203 L CA 0.485 55.349 54.840 0.040 0.000 0.858 203 L CB -0.894 41.215 42.059 0.083 0.000 0.969 203 L HN -0.025 nan 8.230 nan 0.000 0.451 204 A N 0.961 123.793 122.820 0.019 0.000 1.917 204 A HA -0.212 4.108 4.320 0.001 0.000 0.219 204 A C 1.844 179.436 177.584 0.014 0.000 1.182 204 A CA 1.863 53.909 52.037 0.016 0.000 0.633 204 A CB -0.397 18.608 19.000 0.010 0.000 0.819 204 A HN 0.458 nan 8.150 nan 0.000 0.448 205 N N -0.089 118.619 118.700 0.012 0.000 2.322 205 N HA 0.118 4.859 4.740 0.001 0.000 0.194 205 N C 0.079 175.597 175.510 0.014 0.000 1.126 205 N CA 0.224 53.280 53.050 0.011 0.000 0.845 205 N CB 0.080 38.571 38.487 0.007 0.000 0.976 205 N HN 0.473 nan 8.380 nan 0.000 0.475 206 L N 1.581 122.816 121.223 0.020 0.000 2.727 206 L HA 0.138 4.478 4.340 0.001 0.000 0.237 206 L C 1.412 178.295 176.870 0.023 0.000 1.370 206 L CA -0.062 54.792 54.840 0.025 0.000 1.248 206 L CB -0.789 41.292 42.059 0.036 0.000 1.556 206 L HN 0.048 nan 8.230 nan 0.000 0.420 207 T N -5.107 109.457 114.554 0.017 0.000 3.113 207 T HA -0.120 4.230 4.350 0.001 0.000 0.263 207 T C 1.782 176.490 174.700 0.013 0.000 1.143 207 T CA 0.966 63.075 62.100 0.014 0.000 1.090 207 T CB -0.400 68.474 68.868 0.011 0.000 0.922 207 T HN 0.544 nan 8.240 nan 0.000 0.521 208 T N 0.431 114.993 114.554 0.014 0.000 3.113 208 T HA 0.218 4.568 4.350 0.001 0.000 0.263 208 T C 0.780 175.488 174.700 0.014 0.000 1.143 208 T CA -0.151 61.957 62.100 0.013 0.000 1.090 208 T CB -0.764 68.112 68.868 0.014 0.000 0.922 208 T HN 0.394 nan 8.240 nan 0.000 0.521 209 L N 1.679 122.912 121.223 0.018 0.000 2.499 209 L HA 0.135 4.475 4.340 0.001 0.000 0.273 209 L C 1.364 178.239 176.870 0.009 0.000 1.195 209 L CA 0.382 55.233 54.840 0.018 0.000 0.882 209 L CB 0.490 42.564 42.059 0.025 0.000 1.133 209 L HN 0.269 nan 8.230 nan 0.000 0.483 210 E N 2.596 122.799 120.200 0.005 0.000 2.391 210 E HA 0.178 4.529 4.350 0.001 0.000 0.206 210 E C -0.241 176.354 176.600 -0.009 0.000 0.851 210 E CA 0.056 56.455 56.400 -0.001 0.000 1.059 210 E CB 0.766 30.465 29.700 -0.001 0.000 1.065 210 E HN 0.507 nan 8.360 nan 0.000 0.512 211 R N 1.041 121.534 120.500 -0.011 0.000 2.510 211 R HA 0.447 4.787 4.340 0.001 0.000 0.294 211 R C -1.659 174.621 176.300 -0.034 0.000 1.056 211 R CA -0.599 55.486 56.100 -0.025 0.000 0.918 211 R CB 2.064 32.349 30.300 -0.025 0.000 1.187 211 R HN -0.097 nan 8.270 nan 0.000 0.437 212 L N 2.046 123.237 121.223 -0.053 0.000 2.385 212 L HA 0.514 4.855 4.340 0.001 0.000 0.273 212 L C -1.415 175.377 176.870 -0.130 0.000 0.990 212 L CA -0.337 54.452 54.840 -0.084 0.000 0.821 212 L CB 1.986 44.007 42.059 -0.062 0.000 1.279 212 L HN 0.492 nan 8.230 nan 0.000 0.412 213 D N 4.755 125.037 120.400 -0.198 0.000 2.469 213 D HA 0.313 4.953 4.640 0.001 0.000 0.251 213 D C 0.117 176.189 176.300 -0.381 0.000 1.173 213 D CA -0.237 53.627 54.000 -0.226 0.000 0.882 213 D CB 0.970 41.658 40.800 -0.185 0.000 1.129 213 D HN 0.593 nan 8.370 nan 0.000 0.549 214 I N 0.349 120.708 120.570 -0.350 0.000 3.856 214 I HA 0.347 4.517 4.170 0.001 0.000 0.333 214 I C -0.079 175.915 176.117 -0.205 0.000 1.525 214 I CA -0.605 60.442 61.300 -0.422 0.000 1.173 214 I CB 0.290 38.096 38.000 -0.323 0.000 1.175 214 I HN -0.062 nan 8.210 nan 0.000 0.424 215 S N 0.981 116.583 115.700 -0.163 0.000 2.568 215 S HA 0.136 4.606 4.470 0.001 0.000 0.282 215 S C 1.014 175.575 174.600 -0.065 0.000 1.338 215 S CA 0.183 58.325 58.200 -0.096 0.000 1.045 215 S CB 0.707 63.852 63.200 -0.091 0.000 0.873 215 S HN 0.639 nan 8.310 nan 0.000 0.516 216 S N 1.142 116.820 115.700 -0.036 0.000 3.748 216 S HA -0.128 4.343 4.470 0.001 0.000 0.329 216 S C 0.193 174.799 174.600 0.010 0.000 1.104 216 S CA 0.353 58.545 58.200 -0.014 0.000 0.954 216 S CB -1.594 61.597 63.200 -0.015 0.000 0.910 216 S HN 0.754 nan 8.310 nan 0.000 0.494 217 N N 0.854 119.565 118.700 0.019 0.000 2.867 217 N HA 0.432 5.173 4.740 0.001 0.000 0.326 217 N C 0.214 175.747 175.510 0.038 0.000 1.355 217 N CA -0.584 52.497 53.050 0.052 0.000 0.830 217 N CB 0.414 38.960 38.487 0.098 0.000 1.152 217 N HN 0.198 nan 8.380 nan 0.000 0.569 218 K N 0.752 121.180 120.400 0.046 0.000 3.205 218 K HA 0.363 4.683 4.320 0.001 0.000 0.202 218 K C -1.009 175.611 176.600 0.034 0.000 1.160 218 K CA -0.171 56.135 56.287 0.031 0.000 0.995 218 K CB 0.868 33.384 32.500 0.026 0.000 1.041 218 K HN 0.112 nan 8.250 nan 0.000 0.507 219 V N 1.768 121.704 119.914 0.036 0.000 2.432 219 V HA 0.052 4.172 4.120 0.001 0.000 0.275 219 V C 1.092 177.199 176.094 0.022 0.000 1.043 219 V CA 0.099 62.421 62.300 0.037 0.000 0.925 219 V CB 1.378 33.228 31.823 0.046 0.000 0.985 219 V HN 0.585 nan 8.190 nan 0.000 0.466 220 S N 1.966 117.677 115.700 0.020 0.000 2.599 220 S HA 0.127 4.598 4.470 0.001 0.000 0.236 220 S C 0.484 175.092 174.600 0.013 0.000 1.077 220 S CA -0.085 58.123 58.200 0.013 0.000 0.906 220 S CB 0.260 63.466 63.200 0.010 0.000 0.804 220 S HN 0.662 nan 8.310 nan 0.000 0.497 221 D N 2.197 122.607 120.400 0.017 0.000 2.412 221 D HA 0.339 4.979 4.640 0.001 0.000 0.224 221 D C 0.427 176.740 176.300 0.021 0.000 1.093 221 D CA -0.718 53.291 54.000 0.016 0.000 0.850 221 D CB 0.848 41.656 40.800 0.014 0.000 1.046 221 D HN 0.540 nan 8.370 nan 0.000 0.507 222 I N 0.995 121.576 120.570 0.017 0.000 3.889 222 I HA 0.161 4.331 4.170 0.001 0.000 0.332 222 I C 1.387 177.513 176.117 0.016 0.000 1.493 222 I CA -0.431 60.881 61.300 0.019 0.000 1.158 222 I CB 0.110 38.118 38.000 0.013 0.000 1.117 222 I HN 0.138 nan 8.210 nan 0.000 0.411 223 S N 0.438 116.147 115.700 0.014 0.000 2.400 223 S HA -0.194 4.276 4.470 0.001 0.000 0.232 223 S C 1.855 176.464 174.600 0.014 0.000 1.025 223 S CA 1.348 59.555 58.200 0.012 0.000 0.993 223 S CB -0.865 62.340 63.200 0.009 0.000 0.808 223 S HN 0.452 nan 8.310 nan 0.000 0.478 224 V N 1.921 121.846 119.914 0.019 0.000 2.594 224 V HA -0.030 4.090 4.120 0.001 0.000 0.253 224 V C 2.111 178.218 176.094 0.022 0.000 1.069 224 V CA 1.440 63.752 62.300 0.021 0.000 1.082 224 V CB -0.674 31.166 31.823 0.027 0.000 0.680 224 V HN 0.615 nan 8.190 nan 0.000 0.469 225 L N 0.030 121.266 121.223 0.022 0.000 2.353 225 L HA -0.085 4.256 4.340 0.001 0.000 0.220 225 L C 2.689 179.566 176.870 0.012 0.000 1.133 225 L CA 1.131 55.982 54.840 0.018 0.000 0.798 225 L CB -0.939 41.129 42.059 0.014 0.000 0.922 225 L HN 0.423 nan 8.230 nan 0.000 0.445 226 A N 0.589 123.415 122.820 0.010 0.000 2.024 226 A HA -0.220 4.100 4.320 0.001 0.000 0.220 226 A C 2.308 179.897 177.584 0.008 0.000 1.164 226 A CA 1.571 53.613 52.037 0.007 0.000 0.643 226 A CB -0.305 18.699 19.000 0.006 0.000 0.806 226 A HN 0.362 nan 8.150 nan 0.000 0.451 227 K N -1.019 119.387 120.400 0.010 0.000 2.283 227 K HA 0.020 4.341 4.320 0.001 0.000 0.202 227 K C -0.325 176.282 176.600 0.011 0.000 1.048 227 K CA 0.300 56.593 56.287 0.010 0.000 0.948 227 K CB -0.069 32.438 32.500 0.012 0.000 0.742 227 K HN 0.248 nan 8.250 nan 0.000 0.458 228 L N 2.189 123.419 121.223 0.012 0.000 2.536 228 L HA 0.043 4.384 4.340 0.001 0.000 0.242 228 L C 1.131 178.006 176.870 0.007 0.000 1.280 228 L CA 0.759 55.606 54.840 0.012 0.000 1.221 228 L CB -0.673 41.395 42.059 0.015 0.000 1.449 228 L HN 0.156 nan 8.230 nan 0.000 0.405 229 T N -4.046 110.512 114.554 0.006 0.000 3.072 229 T HA -0.055 4.296 4.350 0.001 0.000 0.266 229 T C 1.303 176.004 174.700 0.002 0.000 1.127 229 T CA 0.593 62.695 62.100 0.004 0.000 1.107 229 T CB -0.069 68.801 68.868 0.003 0.000 0.910 229 T HN 0.308 nan 8.240 nan 0.000 0.513 230 N N 0.812 119.514 118.700 0.003 0.000 2.336 230 N HA 0.219 4.960 4.740 0.001 0.000 0.189 230 N C 0.235 175.745 175.510 0.000 0.000 1.113 230 N CA -0.042 53.009 53.050 0.002 0.000 0.858 230 N CB -0.004 38.485 38.487 0.004 0.000 0.970 230 N HN 0.460 nan 8.380 nan 0.000 0.471 231 L N 1.388 122.611 121.223 -0.001 0.000 2.540 231 L HA -0.054 4.287 4.340 0.001 0.000 0.276 231 L C 1.264 178.129 176.870 -0.008 0.000 1.212 231 L CA 0.608 55.445 54.840 -0.005 0.000 0.893 231 L CB 0.579 42.634 42.059 -0.006 0.000 1.138 231 L HN 0.109 nan 8.230 nan 0.000 0.491 232 E N 0.871 121.065 120.200 -0.010 0.000 2.399 232 E HA 0.059 4.409 4.350 0.001 0.000 0.205 232 E C 0.027 176.617 176.600 -0.018 0.000 0.906 232 E CA 0.030 56.422 56.400 -0.012 0.000 0.998 232 E CB 0.982 30.675 29.700 -0.011 0.000 1.002 232 E HN 0.469 nan 8.360 nan 0.000 0.501 233 S N 0.803 116.490 115.700 -0.022 0.000 2.619 233 S HA 0.500 4.971 4.470 0.001 0.000 0.280 233 S C -1.835 172.743 174.600 -0.038 0.000 1.150 233 S CA -0.730 57.452 58.200 -0.030 0.000 0.978 233 S CB 1.046 64.225 63.200 -0.034 0.000 1.041 233 S HN 0.101 nan 8.310 nan 0.000 0.485 234 L N 6.536 127.734 121.223 -0.040 0.000 2.372 234 L HA 0.698 5.038 4.340 0.001 0.000 0.274 234 L C -1.651 175.186 176.870 -0.056 0.000 0.988 234 L CA -0.444 54.367 54.840 -0.049 0.000 0.833 234 L CB 1.383 43.420 42.059 -0.037 0.000 1.236 234 L HN 0.613 nan 8.230 nan 0.000 0.410 235 I N 5.453 125.978 120.570 -0.076 0.000 2.382 235 I HA 0.609 4.779 4.170 0.001 0.000 0.286 235 I C 0.211 176.273 176.117 -0.092 0.000 1.002 235 I CA -0.392 60.860 61.300 -0.080 0.000 1.135 235 I CB 1.348 39.293 38.000 -0.092 0.000 1.288 235 I HN 0.798 nan 8.210 nan 0.000 0.448 236 A N 4.232 127.008 122.820 -0.072 0.000 3.292 236 A HA 0.386 4.707 4.320 0.001 0.000 0.231 236 A C 0.439 177.992 177.584 -0.051 0.000 0.952 236 A CA -0.451 51.545 52.037 -0.069 0.000 1.044 236 A CB 0.033 19.001 19.000 -0.054 0.000 1.236 236 A HN 0.696 nan 8.150 nan 0.000 0.525 237 T N -1.075 113.446 114.554 -0.054 0.000 2.868 237 T HA 0.353 4.703 4.350 0.001 0.000 0.292 237 T C 0.439 175.117 174.700 -0.035 0.000 1.028 237 T CA 0.078 62.153 62.100 -0.042 0.000 1.059 237 T CB 0.273 69.114 68.868 -0.045 0.000 0.991 237 T HN 0.558 nan 8.240 nan 0.000 0.531 238 N N 2.129 120.814 118.700 -0.026 0.000 2.727 238 N HA -0.157 4.584 4.740 0.001 0.000 0.251 238 N C -0.540 174.962 175.510 -0.014 0.000 1.040 238 N CA 0.506 53.544 53.050 -0.019 0.000 0.712 238 N CB -1.247 37.227 38.487 -0.021 0.000 0.912 238 N HN 0.715 nan 8.380 nan 0.000 0.545 239 N N 0.231 118.924 118.700 -0.012 0.000 3.255 239 N HA 0.293 5.033 4.740 0.001 0.000 0.359 239 N C 0.443 175.951 175.510 -0.003 0.000 1.463 239 N CA -0.386 52.662 53.050 -0.004 0.000 0.695 239 N CB 0.431 38.916 38.487 -0.004 0.000 1.581 239 N HN 0.076 nan 8.380 nan 0.000 0.622 240 Q N 0.796 120.596 119.800 0.002 0.000 2.182 240 Q HA 0.394 4.734 4.340 0.001 0.000 0.270 240 Q C -0.462 175.538 176.000 0.001 0.000 0.861 240 Q CA -0.190 55.614 55.803 0.002 0.000 1.098 240 Q CB 0.474 29.215 28.738 0.005 0.000 1.188 240 Q HN 0.464 nan 8.270 nan 0.000 0.464 241 I N 1.529 122.098 120.570 -0.001 0.000 2.471 241 I HA -0.033 4.138 4.170 0.001 0.000 0.286 241 I C 1.252 177.367 176.117 -0.003 0.000 1.079 241 I CA 0.326 61.625 61.300 -0.001 0.000 1.398 241 I CB 1.040 39.038 38.000 -0.004 0.000 1.403 241 I HN 0.084 nan 8.210 nan 0.000 0.530 242 S N 1.854 117.553 115.700 -0.001 0.000 2.589 242 S HA 0.124 4.595 4.470 0.001 0.000 0.235 242 S C 0.108 174.707 174.600 -0.002 0.000 1.051 242 S CA -0.422 57.777 58.200 -0.002 0.000 0.978 242 S CB 0.189 63.388 63.200 -0.002 0.000 0.929 242 S HN 0.657 nan 8.310 nan 0.000 0.523 243 D N 1.920 122.319 120.400 -0.001 0.000 2.440 243 D HA 0.424 5.064 4.640 0.001 0.000 0.239 243 D C 0.434 176.734 176.300 -0.001 0.000 1.084 243 D CA -0.780 53.219 54.000 -0.000 0.000 0.843 243 D CB 1.085 41.885 40.800 0.001 0.000 1.097 243 D HN 0.430 nan 8.370 nan 0.000 0.531 244 I N 0.901 121.470 120.570 -0.002 0.000 3.974 244 I HA 0.185 4.356 4.170 0.001 0.000 0.334 244 I C 1.447 177.563 176.117 -0.002 0.000 1.437 244 I CA -0.305 60.993 61.300 -0.003 0.000 1.113 244 I CB 0.124 38.121 38.000 -0.005 0.000 1.063 244 I HN 0.262 nan 8.210 nan 0.000 0.400 245 T N -0.544 114.009 114.554 -0.001 0.000 2.803 245 T HA -0.012 4.339 4.350 0.001 0.000 0.269 245 T C -0.347 174.354 174.700 0.000 0.000 1.052 245 T CA 1.199 63.299 62.100 -0.000 0.000 1.136 245 T CB -1.934 66.934 68.868 0.000 0.000 0.864 245 T HN 0.294 nan 8.240 nan 0.000 0.467 246 P HA 0.062 nan 4.420 nan 0.000 0.221 246 P C 1.331 178.632 177.300 0.001 0.000 1.145 246 P CA 0.718 63.820 63.100 0.003 0.000 0.795 246 P CB -0.320 31.383 31.700 0.005 0.000 0.775 247 L N -1.935 119.287 121.223 -0.001 0.000 2.478 247 L HA 0.043 4.384 4.340 0.001 0.000 0.223 247 L C 2.513 179.381 176.870 -0.002 0.000 1.140 247 L CA 0.803 55.642 54.840 -0.002 0.000 0.842 247 L CB -1.338 40.718 42.059 -0.005 0.000 0.953 247 L HN 0.062 nan 8.230 nan 0.000 0.452 248 G N 2.185 110.984 108.800 -0.001 0.000 2.513 248 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 248 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 248 G C 1.420 176.319 174.900 -0.001 0.000 1.160 248 G CA 1.339 46.438 45.100 -0.001 0.000 0.767 248 G HN 0.624 nan 8.290 nan 0.000 0.571 249 I N -2.006 118.564 120.570 -0.000 0.000 3.875 249 I HA 0.388 4.559 4.170 0.001 0.000 0.329 249 I C 0.244 176.361 176.117 -0.000 0.000 1.295 249 I CA -0.361 60.939 61.300 -0.000 0.000 1.129 249 I CB 0.250 38.250 38.000 0.001 0.000 1.008 249 I HN -0.172 nan 8.210 nan 0.000 0.413 250 L N 2.997 124.220 121.223 -0.001 0.000 2.583 250 L HA 0.186 4.527 4.340 0.001 0.000 0.239 250 L C 1.620 178.488 176.870 -0.003 0.000 1.347 250 L CA 0.508 55.347 54.840 -0.002 0.000 1.246 250 L CB -0.480 41.577 42.059 -0.003 0.000 1.496 250 L HN 0.345 nan 8.230 nan 0.000 0.413 251 T N -4.731 109.821 114.554 -0.003 0.000 3.113 251 T HA 0.006 4.356 4.350 0.001 0.000 0.256 251 T C 1.330 176.028 174.700 -0.004 0.000 1.131 251 T CA 0.209 62.307 62.100 -0.003 0.000 1.074 251 T CB -0.159 68.707 68.868 -0.002 0.000 0.944 251 T HN 0.310 nan 8.240 nan 0.000 0.516 252 N N 1.249 119.946 118.700 -0.004 0.000 2.521 252 N HA 0.150 4.890 4.740 0.001 0.000 0.188 252 N C 0.172 175.678 175.510 -0.007 0.000 1.146 252 N CA 0.066 53.114 53.050 -0.005 0.000 0.893 252 N CB -0.060 38.424 38.487 -0.004 0.000 0.975 252 N HN 0.473 nan 8.380 nan 0.000 0.451 253 L N 1.804 123.022 121.223 -0.008 0.000 2.462 253 L HA -0.040 4.300 4.340 0.001 0.000 0.272 253 L C 1.078 177.941 176.870 -0.011 0.000 1.166 253 L CA 0.115 54.948 54.840 -0.011 0.000 0.880 253 L CB 0.526 42.578 42.059 -0.011 0.000 1.142 253 L HN 0.148 nan 8.230 nan 0.000 0.473 254 D N 0.583 120.975 120.400 -0.013 0.000 2.449 254 D HA 0.032 4.673 4.640 0.001 0.000 0.210 254 D C 0.256 176.546 176.300 -0.017 0.000 1.094 254 D CA -0.211 53.780 54.000 -0.014 0.000 0.846 254 D CB 0.532 41.325 40.800 -0.013 0.000 1.003 254 D HN 0.449 nan 8.370 nan 0.000 0.504 255 E N 0.069 120.257 120.200 -0.020 0.000 2.278 255 E HA 0.477 4.827 4.350 0.001 0.000 0.272 255 E C -2.093 174.490 176.600 -0.027 0.000 0.890 255 E CA -1.062 55.323 56.400 -0.025 0.000 0.770 255 E CB 1.735 31.418 29.700 -0.030 0.000 1.212 255 E HN 0.074 nan 8.360 nan 0.000 0.415 256 L N 3.351 124.558 121.223 -0.027 0.000 2.476 256 L HA 0.527 4.867 4.340 0.001 0.000 0.269 256 L C -1.729 175.122 176.870 -0.031 0.000 0.965 256 L CA -0.206 54.617 54.840 -0.028 0.000 0.845 256 L CB 2.121 44.167 42.059 -0.022 0.000 1.259 256 L HN 0.393 nan 8.230 nan 0.000 0.403 257 S N 5.292 120.970 115.700 -0.036 0.000 2.659 257 S HA 0.650 5.120 4.470 0.001 0.000 0.312 257 S C -0.267 174.311 174.600 -0.036 0.000 1.114 257 S CA -0.437 57.741 58.200 -0.037 0.000 1.063 257 S CB 0.598 63.770 63.200 -0.045 0.000 0.996 257 S HN 0.708 nan 8.310 nan 0.000 0.478 258 L N 3.987 125.192 121.223 -0.030 0.000 3.202 258 L HA 0.374 4.714 4.340 0.001 0.000 0.278 258 L C 0.672 177.527 176.870 -0.025 0.000 1.268 258 L CA -0.411 54.413 54.840 -0.027 0.000 1.034 258 L CB 0.168 42.214 42.059 -0.021 0.000 1.407 258 L HN 0.571 nan 8.230 nan 0.000 0.581 259 N N 2.241 120.925 118.700 -0.027 0.000 2.294 259 N HA -0.038 4.702 4.740 0.001 0.000 0.263 259 N C 0.903 176.398 175.510 -0.024 0.000 1.281 259 N CA 1.686 54.721 53.050 -0.025 0.000 0.846 259 N CB 0.781 39.251 38.487 -0.028 0.000 1.061 259 N HN 0.463 nan 8.380 nan 0.000 0.478 260 G N 2.419 111.207 108.800 -0.021 0.000 2.401 260 G HA2 -0.212 3.748 3.960 0.001 0.000 0.283 260 G HA3 -0.212 3.748 3.960 0.001 0.000 0.283 260 G C -0.100 174.790 174.900 -0.016 0.000 1.117 260 G CA -0.166 44.922 45.100 -0.019 0.000 1.051 260 G HN 0.731 nan 8.290 nan 0.000 0.510 261 N N -0.862 117.829 118.700 -0.015 0.000 3.550 261 N HA 0.471 5.212 4.740 0.001 0.000 0.357 261 N C 0.344 175.848 175.510 -0.010 0.000 1.585 261 N CA -0.541 52.502 53.050 -0.012 0.000 0.651 261 N CB 0.654 39.134 38.487 -0.012 0.000 2.273 261 N HN 0.267 nan 8.380 nan 0.000 0.631 262 Q N 0.872 120.667 119.800 -0.008 0.000 2.215 262 Q HA 0.434 4.774 4.340 0.001 0.000 0.337 262 Q C -0.855 175.141 176.000 -0.007 0.000 0.887 262 Q CA -0.116 55.682 55.803 -0.007 0.000 1.134 262 Q CB 0.630 29.365 28.738 -0.005 0.000 1.303 262 Q HN 0.312 nan 8.270 nan 0.000 0.421 263 L N 0.647 121.865 121.223 -0.008 0.000 2.416 263 L HA 0.223 4.563 4.340 0.001 0.000 0.272 263 L C 1.028 177.894 176.870 -0.007 0.000 1.161 263 L CA 0.314 55.149 54.840 -0.008 0.000 0.845 263 L CB 0.794 42.848 42.059 -0.009 0.000 1.119 263 L HN 0.241 nan 8.230 nan 0.000 0.464 264 K N 0.885 121.281 120.400 -0.006 0.000 2.509 264 K HA 0.051 4.372 4.320 0.001 0.000 0.205 264 K C 0.127 176.724 176.600 -0.005 0.000 1.336 264 K CA -0.321 55.962 56.287 -0.005 0.000 0.912 264 K CB 0.487 32.984 32.500 -0.004 0.000 1.568 264 K HN 0.575 nan 8.250 nan 0.000 0.475 265 D N 1.755 122.153 120.400 -0.004 0.000 2.336 265 D HA 0.087 4.728 4.640 0.001 0.000 0.249 265 D C 0.271 176.568 176.300 -0.004 0.000 1.213 265 D CA -0.285 53.712 54.000 -0.004 0.000 0.870 265 D CB 0.809 41.608 40.800 -0.003 0.000 1.076 265 D HN 0.399 nan 8.370 nan 0.000 0.483 266 I N 0.892 121.459 120.570 -0.005 0.000 3.856 266 I HA 0.436 4.606 4.170 0.001 0.000 0.330 266 I C 1.601 177.715 176.117 -0.005 0.000 1.546 266 I CA -0.813 60.483 61.300 -0.005 0.000 1.132 266 I CB 0.729 38.725 38.000 -0.006 0.000 1.157 266 I HN 0.325 nan 8.210 nan 0.000 0.440 267 G N 1.689 110.487 108.800 -0.004 0.000 2.505 267 G HA2 -0.285 3.676 3.960 0.001 0.000 0.220 267 G HA3 -0.285 3.676 3.960 0.001 0.000 0.220 267 G C 1.408 176.306 174.900 -0.003 0.000 1.145 267 G CA 1.919 47.017 45.100 -0.003 0.000 0.761 267 G HN 0.421 nan 8.290 nan 0.000 0.571 268 T N 1.391 115.943 114.554 -0.003 0.000 2.778 268 T HA -0.078 4.273 4.350 0.001 0.000 0.269 268 T C 2.325 177.022 174.700 -0.004 0.000 1.050 268 T CA 0.968 63.066 62.100 -0.003 0.000 1.137 268 T CB -0.209 68.657 68.868 -0.003 0.000 0.860 268 T HN 0.232 nan 8.240 nan 0.000 0.468 269 L N 0.688 121.908 121.223 -0.005 0.000 2.265 269 L HA -0.069 4.271 4.340 0.001 0.000 0.215 269 L C 2.887 179.754 176.870 -0.005 0.000 1.117 269 L CA 0.773 55.610 54.840 -0.005 0.000 0.782 269 L CB -0.688 41.367 42.059 -0.006 0.000 0.914 269 L HN 0.241 nan 8.230 nan 0.000 0.441 270 A N -0.653 122.164 122.820 -0.004 0.000 2.067 270 A HA -0.132 4.189 4.320 0.001 0.000 0.219 270 A C 2.459 180.041 177.584 -0.003 0.000 1.158 270 A CA 1.600 53.635 52.037 -0.003 0.000 0.661 270 A CB -0.337 18.661 19.000 -0.003 0.000 0.801 270 A HN 0.368 nan 8.150 nan 0.000 0.452 271 S N -0.357 115.341 115.700 -0.003 0.000 2.447 271 S HA 0.071 4.541 4.470 0.001 0.000 0.233 271 S C 0.769 175.366 174.600 -0.003 0.000 1.006 271 S CA 0.442 58.640 58.200 -0.003 0.000 0.957 271 S CB -0.235 62.963 63.200 -0.003 0.000 0.773 271 S HN 0.509 nan 8.310 nan 0.000 0.507 272 L N 2.998 124.219 121.223 -0.004 0.000 2.598 272 L HA 0.182 4.522 4.340 0.001 0.000 0.241 272 L C 1.387 178.254 176.870 -0.005 0.000 1.244 272 L CA -0.233 54.604 54.840 -0.005 0.000 1.198 272 L CB -0.423 41.632 42.059 -0.006 0.000 1.448 272 L HN 0.263 nan 8.230 nan 0.000 0.406 273 T N -4.362 110.190 114.554 -0.004 0.000 3.118 273 T HA -0.023 4.328 4.350 0.001 0.000 0.260 273 T C 1.256 175.953 174.700 -0.004 0.000 1.139 273 T CA 0.300 62.398 62.100 -0.004 0.000 1.085 273 T CB -0.098 68.768 68.868 -0.003 0.000 0.934 273 T HN 0.333 nan 8.240 nan 0.000 0.518 274 N N 0.922 119.619 118.700 -0.005 0.000 2.336 274 N HA 0.230 4.970 4.740 0.001 0.000 0.189 274 N C 0.053 175.559 175.510 -0.007 0.000 1.113 274 N CA -0.018 53.028 53.050 -0.006 0.000 0.858 274 N CB 0.051 38.534 38.487 -0.006 0.000 0.970 274 N HN 0.470 nan 8.380 nan 0.000 0.471 275 L N 1.139 122.357 121.223 -0.007 0.000 2.462 275 L HA 0.027 4.368 4.340 0.001 0.000 0.272 275 L C 1.721 178.586 176.870 -0.008 0.000 1.166 275 L CA 0.246 55.081 54.840 -0.009 0.000 0.880 275 L CB 0.764 42.817 42.059 -0.009 0.000 1.142 275 L HN 0.130 nan 8.230 nan 0.000 0.473 276 T N -2.938 111.609 114.554 -0.010 0.000 2.959 276 T HA 0.115 4.466 4.350 0.001 0.000 0.254 276 T C 0.125 174.818 174.700 -0.011 0.000 1.003 276 T CA -0.235 61.859 62.100 -0.010 0.000 0.950 276 T CB 0.354 69.216 68.868 -0.010 0.000 1.090 276 T HN 0.454 nan 8.240 nan 0.000 0.503 277 D N 0.539 120.930 120.400 -0.015 0.000 2.736 277 D HA 0.518 5.158 4.640 0.001 0.000 0.243 277 D C -1.789 174.499 176.300 -0.019 0.000 1.304 277 D CA -0.590 53.399 54.000 -0.018 0.000 0.934 277 D CB 1.787 42.572 40.800 -0.024 0.000 1.382 277 D HN 0.227 nan 8.370 nan 0.000 0.571 278 L N 3.588 124.802 121.223 -0.016 0.000 2.438 278 L HA 0.595 4.936 4.340 0.001 0.000 0.270 278 L C -1.764 175.097 176.870 -0.016 0.000 0.972 278 L CA -0.434 54.396 54.840 -0.016 0.000 0.831 278 L CB 1.999 44.051 42.059 -0.012 0.000 1.273 278 L HN 0.258 nan 8.230 nan 0.000 0.405 279 D N 5.103 125.492 120.400 -0.020 0.000 2.505 279 D HA 0.376 5.016 4.640 0.001 0.000 0.250 279 D C -0.503 175.785 176.300 -0.020 0.000 1.164 279 D CA -0.091 53.897 54.000 -0.020 0.000 0.870 279 D CB 1.132 41.916 40.800 -0.027 0.000 1.160 279 D HN 0.665 nan 8.370 nan 0.000 0.549 280 L N 2.331 123.544 121.223 -0.017 0.000 3.267 280 L HA 0.456 4.796 4.340 0.001 0.000 0.289 280 L C 0.881 177.740 176.870 -0.018 0.000 1.260 280 L CA -0.550 54.279 54.840 -0.017 0.000 1.034 280 L CB 0.673 42.723 42.059 -0.015 0.000 1.413 280 L HN 0.311 nan 8.230 nan 0.000 0.594 281 A N 0.103 122.911 122.820 -0.020 0.000 2.425 281 A HA 0.287 4.608 4.320 0.001 0.000 0.242 281 A C 0.667 178.238 177.584 -0.022 0.000 1.077 281 A CA 0.024 52.048 52.037 -0.022 0.000 0.781 281 A CB 0.018 19.006 19.000 -0.020 0.000 1.020 281 A HN 0.594 nan 8.150 nan 0.000 0.494 282 N N 1.094 119.779 118.700 -0.024 0.000 2.699 282 N HA -0.129 4.612 4.740 0.001 0.000 0.257 282 N C -0.553 174.945 175.510 -0.020 0.000 1.077 282 N CA 1.049 54.085 53.050 -0.023 0.000 0.702 282 N CB -1.078 37.396 38.487 -0.021 0.000 0.886 282 N HN 0.779 nan 8.380 nan 0.000 0.549 283 N N 0.187 118.875 118.700 -0.019 0.000 3.550 283 N HA 0.296 5.037 4.740 0.001 0.000 0.345 283 N C -0.122 175.380 175.510 -0.014 0.000 1.647 283 N CA -0.352 52.689 53.050 -0.016 0.000 0.737 283 N CB 0.493 38.971 38.487 -0.015 0.000 2.178 283 N HN 0.164 nan 8.380 nan 0.000 0.638 284 Q N 0.562 120.356 119.800 -0.012 0.000 2.106 284 Q HA 0.458 4.799 4.340 0.001 0.000 0.273 284 Q C -0.668 175.327 176.000 -0.008 0.000 0.853 284 Q CA -0.088 55.709 55.803 -0.010 0.000 1.118 284 Q CB 0.792 29.525 28.738 -0.008 0.000 1.240 284 Q HN 0.427 nan 8.270 nan 0.000 0.445 285 I N 0.934 121.498 120.570 -0.010 0.000 2.474 285 I HA 0.006 4.176 4.170 0.001 0.000 0.287 285 I C 1.186 177.298 176.117 -0.008 0.000 1.048 285 I CA 0.348 61.643 61.300 -0.009 0.000 1.383 285 I CB 1.333 39.327 38.000 -0.010 0.000 1.412 285 I HN 0.217 nan 8.210 nan 0.000 0.531 286 S N 2.973 118.670 115.700 -0.006 0.000 2.741 286 S HA 0.117 4.588 4.470 0.001 0.000 0.245 286 S C 0.505 175.102 174.600 -0.004 0.000 1.083 286 S CA -0.341 57.856 58.200 -0.005 0.000 0.873 286 S CB 0.029 63.227 63.200 -0.003 0.000 0.814 286 S HN 0.616 nan 8.310 nan 0.000 0.476 287 N N 1.622 120.320 118.700 -0.004 0.000 2.439 287 N HA 0.401 5.142 4.740 0.001 0.000 0.249 287 N C 0.054 175.562 175.510 -0.004 0.000 1.003 287 N CA -0.438 52.610 53.050 -0.004 0.000 0.942 287 N CB 0.680 39.165 38.487 -0.003 0.000 1.115 287 N HN 0.362 nan 8.380 nan 0.000 0.505 288 L N 2.469 123.690 121.223 -0.004 0.000 2.607 288 L HA 0.268 4.608 4.340 0.001 0.000 0.228 288 L C 1.954 178.821 176.870 -0.004 0.000 1.123 288 L CA -0.009 54.828 54.840 -0.005 0.000 0.890 288 L CB -0.116 41.940 42.059 -0.005 0.000 1.103 288 L HN 0.564 nan 8.230 nan 0.000 0.468 289 A N 1.422 124.240 122.820 -0.004 0.000 1.948 289 A HA -0.125 4.195 4.320 0.001 0.000 0.220 289 A C -0.183 177.399 177.584 -0.003 0.000 1.177 289 A CA 1.559 53.594 52.037 -0.003 0.000 0.636 289 A CB -1.502 17.497 19.000 -0.003 0.000 0.815 289 A HN 0.275 nan 8.150 nan 0.000 0.449 290 P HA -0.079 nan 4.420 nan 0.000 0.225 290 P C 0.992 178.290 177.300 -0.004 0.000 1.148 290 P CA 0.716 63.814 63.100 -0.003 0.000 0.779 290 P CB -0.085 31.612 31.700 -0.004 0.000 0.780 291 L N -1.089 120.132 121.223 -0.004 0.000 2.558 291 L HA -0.001 4.340 4.340 0.001 0.000 0.225 291 L C 2.224 179.092 176.870 -0.003 0.000 1.128 291 L CA 0.844 55.681 54.840 -0.004 0.000 0.868 291 L CB -0.865 41.192 42.059 -0.004 0.000 1.006 291 L HN 0.084 nan 8.230 nan 0.000 0.454 292 S N -0.085 115.614 115.700 -0.003 0.000 2.419 292 S HA -0.104 4.366 4.470 0.001 0.000 0.233 292 S C 1.840 176.439 174.600 -0.002 0.000 1.016 292 S CA 1.057 59.255 58.200 -0.002 0.000 0.974 292 S CB -0.553 62.645 63.200 -0.002 0.000 0.786 292 S HN 0.431 nan 8.310 nan 0.000 0.492 293 G N 0.637 109.436 108.800 -0.002 0.000 3.042 293 G HA2 0.344 4.304 3.960 0.001 0.000 0.212 293 G HA3 0.344 4.304 3.960 0.001 0.000 0.212 293 G C 0.533 175.432 174.900 -0.002 0.000 1.166 293 G CA -0.417 44.681 45.100 -0.002 0.000 0.767 293 G HN 0.505 nan 8.290 nan 0.000 0.546 294 L N 2.984 124.206 121.223 -0.002 0.000 2.533 294 L HA 0.129 4.469 4.340 0.001 0.000 0.239 294 L C 1.817 178.685 176.870 -0.002 0.000 1.376 294 L CA -0.033 54.806 54.840 -0.003 0.000 1.240 294 L CB -0.288 41.769 42.059 -0.003 0.000 1.487 294 L HN 0.194 nan 8.230 nan 0.000 0.419 295 T N -4.300 110.253 114.554 -0.002 0.000 3.148 295 T HA -0.001 4.350 4.350 0.001 0.000 0.253 295 T C 1.357 176.057 174.700 -0.001 0.000 1.134 295 T CA 0.102 62.201 62.100 -0.001 0.000 1.051 295 T CB -0.008 68.860 68.868 -0.001 0.000 0.959 295 T HN 0.356 nan 8.240 nan 0.000 0.525 296 K N 0.875 121.274 120.400 -0.002 0.000 2.444 296 K HA 0.262 4.583 4.320 0.001 0.000 0.193 296 K C 0.257 176.855 176.600 -0.002 0.000 1.024 296 K CA -0.095 56.191 56.287 -0.002 0.000 1.077 296 K CB -0.063 32.435 32.500 -0.003 0.000 0.833 296 K HN 0.431 nan 8.250 nan 0.000 0.517 297 L N 2.078 123.300 121.223 -0.002 0.000 2.462 297 L HA -0.021 4.319 4.340 0.001 0.000 0.272 297 L C 1.564 178.435 176.870 0.002 0.000 1.166 297 L CA 0.169 55.008 54.840 -0.001 0.000 0.880 297 L CB 0.697 42.755 42.059 -0.000 0.000 1.142 297 L HN 0.219 nan 8.230 nan 0.000 0.473 298 T N -1.513 113.041 114.554 0.000 0.000 2.969 298 T HA 0.206 4.556 4.350 0.001 0.000 0.250 298 T C 0.480 175.184 174.700 0.007 0.000 1.021 298 T CA -0.213 61.890 62.100 0.004 0.000 1.003 298 T CB 0.339 69.206 68.868 -0.000 0.000 1.040 298 T HN 0.522 nan 8.240 nan 0.000 0.492 299 E N 0.764 120.965 120.200 0.002 0.000 2.246 299 E HA 0.621 4.971 4.350 0.001 0.000 0.266 299 E C -2.052 174.552 176.600 0.006 0.000 0.880 299 E CA -0.910 55.493 56.400 0.005 0.000 0.762 299 E CB 2.640 32.334 29.700 -0.012 0.000 1.180 299 E HN 0.114 nan 8.360 nan 0.000 0.416 300 L N 2.707 123.941 121.223 0.017 0.000 2.441 300 L HA 0.386 4.727 4.340 0.001 0.000 0.270 300 L C -1.598 175.283 176.870 0.018 0.000 0.973 300 L CA -0.400 54.447 54.840 0.012 0.000 0.842 300 L CB 1.314 43.379 42.059 0.011 0.000 1.239 300 L HN 0.348 nan 8.230 nan 0.000 0.406 301 K N 6.131 126.535 120.400 0.007 0.000 2.307 301 K HA 0.568 4.888 4.320 0.001 0.000 0.263 301 K C -0.202 176.394 176.600 -0.007 0.000 0.973 301 K CA -0.320 55.971 56.287 0.006 0.000 0.846 301 K CB 1.672 34.173 32.500 0.002 0.000 1.100 301 K HN 0.642 nan 8.250 nan 0.000 0.438 302 L N 1.973 123.188 121.223 -0.013 0.000 3.333 302 L HA 0.221 4.562 4.340 0.001 0.000 0.299 302 L C 0.737 177.584 176.870 -0.038 0.000 1.256 302 L CA -0.465 54.362 54.840 -0.022 0.000 1.037 302 L CB 1.199 43.248 42.059 -0.017 0.000 1.423 302 L HN 0.720 nan 8.230 nan 0.000 0.605 303 G N 0.031 108.801 108.800 -0.050 0.000 2.491 303 G HA2 0.366 4.326 3.960 0.001 0.000 0.242 303 G HA3 0.366 4.326 3.960 0.001 0.000 0.242 303 G C 0.766 175.628 174.900 -0.063 0.000 1.266 303 G CA 0.457 45.507 45.100 -0.083 0.000 0.844 303 G HN 0.442 nan 8.290 nan 0.000 0.571 304 A N 1.131 123.908 122.820 -0.072 0.000 2.546 304 A HA -0.148 4.173 4.320 0.001 0.000 0.295 304 A C 0.578 178.141 177.584 -0.035 0.000 1.455 304 A CA 0.896 52.902 52.037 -0.051 0.000 0.730 304 A CB -1.942 17.030 19.000 -0.046 0.000 1.111 304 A HN 0.795 nan 8.150 nan 0.000 0.411 305 N N -0.844 117.838 118.700 -0.031 0.000 3.566 305 N HA 0.512 5.252 4.740 0.001 0.000 0.354 305 N C 0.160 175.661 175.510 -0.015 0.000 1.632 305 N CA -0.472 52.566 53.050 -0.021 0.000 0.690 305 N CB 0.665 39.139 38.487 -0.021 0.000 2.273 305 N HN 0.482 nan 8.380 nan 0.000 0.643 306 Q N 0.723 120.517 119.800 -0.010 0.000 2.217 306 Q HA 0.466 4.806 4.340 0.001 0.000 0.340 306 Q C -0.804 175.194 176.000 -0.003 0.000 0.893 306 Q CA -0.068 55.732 55.803 -0.005 0.000 1.142 306 Q CB 0.534 29.270 28.738 -0.003 0.000 1.288 306 Q HN 0.404 nan 8.270 nan 0.000 0.426 307 I N 0.939 121.506 120.570 -0.006 0.000 2.342 307 I HA 0.076 4.247 4.170 0.001 0.000 0.291 307 I C 1.065 177.181 176.117 -0.002 0.000 1.010 307 I CA 0.080 61.377 61.300 -0.005 0.000 1.308 307 I CB 1.457 39.451 38.000 -0.010 0.000 1.400 307 I HN 0.195 nan 8.210 nan 0.000 0.488 308 S N 2.863 118.562 115.700 -0.001 0.000 2.604 308 S HA 0.168 4.639 4.470 0.001 0.000 0.235 308 S C 0.296 174.895 174.600 -0.002 0.000 1.043 308 S CA -0.385 57.815 58.200 0.000 0.000 0.997 308 S CB 0.017 63.218 63.200 0.003 0.000 0.956 308 S HN 0.647 nan 8.310 nan 0.000 0.535 309 N N 1.698 120.396 118.700 -0.003 0.000 2.491 309 N HA 0.431 5.172 4.740 0.001 0.000 0.274 309 N C -0.117 175.390 175.510 -0.005 0.000 1.023 309 N CA -0.797 52.251 53.050 -0.004 0.000 0.902 309 N CB 1.419 39.904 38.487 -0.003 0.000 1.267 309 N HN 0.436 nan 8.380 nan 0.000 0.503 310 I N 0.270 120.836 120.570 -0.006 0.000 3.974 310 I HA 0.358 4.528 4.170 0.001 0.000 0.334 310 I C 0.894 177.007 176.117 -0.006 0.000 1.437 310 I CA -0.350 60.947 61.300 -0.006 0.000 1.113 310 I CB 0.375 38.371 38.000 -0.008 0.000 1.063 310 I HN 0.160 nan 8.210 nan 0.000 0.400 311 S N 2.655 118.352 115.700 -0.006 0.000 2.374 311 S HA -0.076 4.394 4.470 0.001 0.000 0.227 311 S C -0.377 174.221 174.600 -0.004 0.000 1.037 311 S CA 1.964 60.160 58.200 -0.005 0.000 1.024 311 S CB -1.137 62.060 63.200 -0.005 0.000 0.861 311 S HN 0.463 nan 8.310 nan 0.000 0.456 312 P HA -0.023 nan 4.420 nan 0.000 0.223 312 P C 0.797 178.096 177.300 -0.003 0.000 1.144 312 P CA 0.840 63.938 63.100 -0.003 0.000 0.783 312 P CB -0.132 31.566 31.700 -0.003 0.000 0.771 313 L N -1.995 119.226 121.223 -0.003 0.000 2.591 313 L HA 0.154 4.494 4.340 0.001 0.000 0.228 313 L C 2.148 179.017 176.870 -0.001 0.000 1.133 313 L CA 0.327 55.166 54.840 -0.002 0.000 0.880 313 L CB -0.738 41.320 42.059 -0.001 0.000 1.033 313 L HN -0.056 nan 8.230 nan 0.000 0.450 314 A N 0.620 123.438 122.820 -0.002 0.000 2.067 314 A HA -0.028 4.292 4.320 0.001 0.000 0.219 314 A C 2.188 179.771 177.584 -0.001 0.000 1.158 314 A CA 1.445 53.481 52.037 -0.003 0.000 0.661 314 A CB -0.598 18.399 19.000 -0.004 0.000 0.801 314 A HN 0.417 nan 8.150 nan 0.000 0.452 315 G N -1.012 107.788 108.800 -0.001 0.000 3.042 315 G HA2 0.314 4.274 3.960 0.001 0.000 0.212 315 G HA3 0.314 4.274 3.960 0.001 0.000 0.212 315 G C 0.597 175.497 174.900 0.000 0.000 1.166 315 G CA -0.201 44.898 45.100 -0.001 0.000 0.767 315 G HN 0.388 nan 8.290 nan 0.000 0.546 316 L N 2.750 123.974 121.223 0.001 0.000 2.796 316 L HA 0.142 4.482 4.340 0.001 0.000 0.235 316 L C 1.874 178.747 176.870 0.005 0.000 1.344 316 L CA -0.105 54.737 54.840 0.003 0.000 1.245 316 L CB -0.196 41.865 42.059 0.003 0.000 1.556 316 L HN 0.191 nan 8.230 nan 0.000 0.423 317 T N -3.984 110.573 114.554 0.004 0.000 3.118 317 T HA -0.015 4.335 4.350 0.001 0.000 0.260 317 T C 1.669 176.373 174.700 0.007 0.000 1.139 317 T CA 0.679 62.782 62.100 0.005 0.000 1.085 317 T CB 0.269 69.139 68.868 0.003 0.000 0.934 317 T HN 0.449 nan 8.240 nan 0.000 0.518 318 A N 0.907 123.731 122.820 0.006 0.000 2.208 318 A HA 0.441 4.761 4.320 0.001 0.000 0.209 318 A C 1.001 178.591 177.584 0.010 0.000 1.161 318 A CA -0.244 51.797 52.037 0.007 0.000 0.782 318 A CB -0.555 18.448 19.000 0.004 0.000 0.816 318 A HN 0.572 nan 8.150 nan 0.000 0.477 319 L N 0.884 122.115 121.223 0.013 0.000 2.540 319 L HA 0.027 4.367 4.340 0.001 0.000 0.276 319 L C 1.822 178.709 176.870 0.029 0.000 1.212 319 L CA 0.486 55.338 54.840 0.020 0.000 0.893 319 L CB 0.808 42.881 42.059 0.022 0.000 1.138 319 L HN 0.527 nan 8.230 nan 0.000 0.491 320 T N -1.718 112.857 114.554 0.035 0.000 2.978 320 T HA 0.152 4.503 4.350 0.001 0.000 0.248 320 T C 0.554 175.306 174.700 0.086 0.000 1.018 320 T CA -0.206 61.923 62.100 0.048 0.000 1.026 320 T CB 0.202 69.089 68.868 0.032 0.000 1.032 320 T HN 0.455 nan 8.240 nan 0.000 0.485 321 N N 0.949 119.702 118.700 0.088 0.000 2.346 321 N HA 0.696 5.436 4.740 0.001 0.000 0.289 321 N C -2.005 173.585 175.510 0.134 0.000 1.027 321 N CA -0.614 52.533 53.050 0.163 0.000 0.864 321 N CB 2.247 40.795 38.487 0.102 0.000 1.370 321 N HN 0.221 nan 8.380 nan 0.000 0.481 322 L N 1.033 122.351 121.223 0.157 0.000 2.438 322 L HA 0.509 4.850 4.340 0.001 0.000 0.270 322 L C -1.123 175.798 176.870 0.086 0.000 0.972 322 L CA -0.334 54.560 54.840 0.089 0.000 0.831 322 L CB 1.689 43.778 42.059 0.049 0.000 1.273 322 L HN 0.500 nan 8.230 nan 0.000 0.405 323 E N 5.822 126.059 120.200 0.062 0.000 2.155 323 E HA 0.424 4.774 4.350 0.001 0.000 0.264 323 E C -0.376 176.206 176.600 -0.031 0.000 0.886 323 E CA -0.243 56.170 56.400 0.022 0.000 0.752 323 E CB 1.834 31.563 29.700 0.049 0.000 1.133 323 E HN 0.650 nan 8.360 nan 0.000 0.414 324 L N 2.861 124.043 121.223 -0.067 0.000 3.229 324 L HA 0.120 4.461 4.340 0.001 0.000 0.286 324 L C 0.301 177.094 176.870 -0.129 0.000 1.239 324 L CA -0.396 54.401 54.840 -0.072 0.000 1.035 324 L CB 0.040 42.078 42.059 -0.036 0.000 1.408 324 L HN 0.474 nan 8.230 nan 0.000 0.593 325 N N 1.016 119.550 118.700 -0.277 0.000 2.374 325 N HA -0.090 4.650 4.740 0.001 0.000 0.241 325 N C -0.159 175.203 175.510 -0.246 0.000 1.262 325 N CA 0.143 52.904 53.050 -0.482 0.000 0.880 325 N CB 0.496 38.148 38.487 -1.391 0.000 1.105 325 N HN 0.165 nan 8.380 nan 0.000 0.438 326 E N -1.398 118.738 120.200 -0.106 0.000 2.340 326 E HA -0.196 4.154 4.350 0.001 0.000 0.240 326 E C -0.646 175.945 176.600 -0.015 0.000 1.154 326 E CA 0.415 56.807 56.400 -0.012 0.000 0.717 326 E CB -1.036 28.620 29.700 -0.074 0.000 1.250 326 E HN 0.625 nan 8.360 nan 0.000 0.386 327 N N -0.064 118.638 118.700 0.003 0.000 3.312 327 N HA 0.363 5.104 4.740 0.001 0.000 0.361 327 N C -0.322 175.203 175.510 0.025 0.000 1.476 327 N CA -0.456 52.595 53.050 0.002 0.000 0.669 327 N CB 0.669 39.147 38.487 -0.014 0.000 1.629 327 N HN -0.028 nan 8.380 nan 0.000 0.612 328 Q N 0.924 120.735 119.800 0.017 0.000 2.719 328 Q HA 0.473 4.813 4.340 0.001 0.000 0.376 328 Q C -0.994 175.016 176.000 0.016 0.000 0.856 328 Q CA -0.023 55.794 55.803 0.024 0.000 1.038 328 Q CB 0.637 29.387 28.738 0.021 0.000 1.418 328 Q HN 0.323 nan 8.270 nan 0.000 0.395 329 L N 0.517 121.750 121.223 0.016 0.000 2.350 329 L HA 0.346 4.687 4.340 0.001 0.000 0.275 329 L C 1.020 177.895 176.870 0.009 0.000 1.099 329 L CA 0.173 55.018 54.840 0.008 0.000 0.808 329 L CB 1.103 43.163 42.059 0.003 0.000 1.149 329 L HN 0.464 nan 8.230 nan 0.000 0.442 330 E N 0.267 120.468 120.200 0.002 0.000 2.713 330 E HA 0.027 4.378 4.350 0.001 0.000 0.201 330 E C -0.444 176.150 176.600 -0.010 0.000 0.935 330 E CA -0.277 56.123 56.400 -0.001 0.000 1.273 330 E CB 0.485 30.187 29.700 0.003 0.000 1.221 330 E HN 0.502 nan 8.360 nan 0.000 0.547 331 D N 2.125 122.519 120.400 -0.010 0.000 2.411 331 D HA 0.105 4.745 4.640 0.001 0.000 0.225 331 D C 0.420 176.710 176.300 -0.017 0.000 1.156 331 D CA -0.304 53.687 54.000 -0.015 0.000 0.874 331 D CB 0.581 41.374 40.800 -0.011 0.000 1.034 331 D HN 0.243 nan 8.370 nan 0.000 0.502 332 I N 1.029 121.584 120.570 -0.025 0.000 3.889 332 I HA 0.133 4.303 4.170 0.001 0.000 0.332 332 I C 1.344 177.444 176.117 -0.028 0.000 1.493 332 I CA -0.408 60.876 61.300 -0.027 0.000 1.158 332 I CB 0.029 38.008 38.000 -0.035 0.000 1.117 332 I HN 0.153 nan 8.210 nan 0.000 0.411 333 S N 1.750 117.435 115.700 -0.025 0.000 2.383 333 S HA -0.020 4.450 4.470 0.001 0.000 0.229 333 S C -0.459 174.130 174.600 -0.019 0.000 1.030 333 S CA 0.983 59.169 58.200 -0.023 0.000 1.002 333 S CB -1.950 61.238 63.200 -0.020 0.000 0.829 333 S HN 0.404 nan 8.310 nan 0.000 0.467 334 P HA 0.146 nan 4.420 nan 0.000 0.226 334 P C 1.256 178.550 177.300 -0.011 0.000 1.153 334 P CA 0.443 63.536 63.100 -0.011 0.000 0.777 334 P CB -0.174 31.521 31.700 -0.009 0.000 0.794 335 I N -0.011 120.550 120.570 -0.014 0.000 2.567 335 I HA -0.242 3.928 4.170 0.001 0.000 0.257 335 I C 1.961 178.070 176.117 -0.012 0.000 1.184 335 I CA 1.322 62.615 61.300 -0.012 0.000 1.451 335 I CB -0.253 37.737 38.000 -0.017 0.000 1.089 335 I HN 0.042 nan 8.210 nan 0.000 0.441 336 S N 0.056 115.747 115.700 -0.015 0.000 2.447 336 S HA -0.132 4.339 4.470 0.001 0.000 0.233 336 S C 1.685 176.280 174.600 -0.008 0.000 1.006 336 S CA 0.821 59.013 58.200 -0.014 0.000 0.957 336 S CB -0.548 62.642 63.200 -0.017 0.000 0.773 336 S HN 0.490 nan 8.310 nan 0.000 0.507 337 N N 1.689 120.385 118.700 -0.006 0.000 2.364 337 N HA 0.039 4.779 4.740 0.001 0.000 0.183 337 N C 0.285 175.795 175.510 -0.000 0.000 1.022 337 N CA 0.697 53.745 53.050 -0.003 0.000 0.883 337 N CB -0.311 38.174 38.487 -0.003 0.000 0.965 337 N HN 0.510 nan 8.380 nan 0.000 0.438 338 L N 1.917 123.141 121.223 0.001 0.000 2.466 338 L HA 0.186 4.526 4.340 0.001 0.000 0.248 338 L C 1.034 177.910 176.870 0.009 0.000 1.240 338 L CA -0.270 54.574 54.840 0.006 0.000 1.180 338 L CB 0.261 42.326 42.059 0.009 0.000 1.413 338 L HN -0.246 nan 8.230 nan 0.000 0.406 339 K N 0.397 120.802 120.400 0.007 0.000 2.439 339 K HA -0.002 4.318 4.320 0.001 0.000 0.197 339 K C 0.975 177.582 176.600 0.013 0.000 1.041 339 K CA 0.555 56.847 56.287 0.008 0.000 0.970 339 K CB 0.127 32.631 32.500 0.005 0.000 0.773 339 K HN 0.446 nan 8.250 nan 0.000 0.479 340 N N 0.662 119.371 118.700 0.015 0.000 2.336 340 N HA 0.052 4.792 4.740 0.001 0.000 0.189 340 N C 0.288 175.816 175.510 0.030 0.000 1.113 340 N CA 0.055 53.117 53.050 0.020 0.000 0.858 340 N CB 0.308 38.805 38.487 0.016 0.000 0.970 340 N HN 0.145 nan 8.380 nan 0.000 0.471 341 L N 1.136 122.379 121.223 0.033 0.000 2.455 341 L HA 0.031 4.371 4.340 0.001 0.000 0.272 341 L C 1.544 178.450 176.870 0.061 0.000 1.174 341 L CA 0.302 55.173 54.840 0.051 0.000 0.869 341 L CB 0.675 42.761 42.059 0.045 0.000 1.130 341 L HN 0.139 nan 8.230 nan 0.000 0.474 342 T N -0.832 113.775 114.554 0.090 0.000 2.975 342 T HA 0.097 4.447 4.350 0.001 0.000 0.257 342 T C -0.226 174.578 174.700 0.174 0.000 1.003 342 T CA -0.085 62.076 62.100 0.102 0.000 0.932 342 T CB 0.115 69.033 68.868 0.083 0.000 1.087 342 T HN 0.375 nan 8.240 nan 0.000 0.512 343 Y N 0.796 121.122 120.300 0.044 0.000 2.361 343 Y HA 0.659 5.210 4.550 0.001 0.000 0.328 343 Y C -2.089 173.876 175.900 0.107 0.000 1.044 343 Y CA -1.913 56.235 58.100 0.080 0.000 1.085 343 Y CB 1.771 40.256 38.460 0.042 0.000 1.194 343 Y HN 0.191 nan 8.280 nan 0.000 0.438 344 L N 6.405 127.454 121.223 -0.289 0.000 2.470 344 L HA 0.707 5.047 4.340 0.001 0.000 0.268 344 L C -1.161 175.651 176.870 -0.097 0.000 0.964 344 L CA -0.154 54.612 54.840 -0.122 0.000 0.839 344 L CB 2.241 44.296 42.059 -0.006 0.000 1.276 344 L HN 0.720 nan 8.230 nan 0.000 0.403 345 T N 2.362 116.884 114.554 -0.053 0.000 2.856 345 T HA 0.688 5.039 4.350 0.001 0.000 0.283 345 T C 0.206 174.929 174.700 0.039 0.000 1.008 345 T CA -0.569 61.583 62.100 0.086 0.000 0.997 345 T CB 1.423 70.296 68.868 0.009 0.000 0.992 345 T HN 0.599 nan 8.240 nan 0.000 0.454 346 L N 0.828 122.138 121.223 0.146 0.000 3.520 346 L HA 0.274 4.614 4.340 0.001 0.000 0.323 346 L C -0.244 176.726 176.870 0.167 0.000 1.246 346 L CA -0.995 53.907 54.840 0.103 0.000 1.085 346 L CB 0.105 42.252 42.059 0.147 0.000 1.477 346 L HN 0.802 nan 8.230 nan 0.000 0.624 347 Y N -1.410 119.046 120.300 0.261 0.000 2.578 347 Y HA 0.308 4.859 4.550 0.001 0.000 0.339 347 Y C 0.224 176.336 175.900 0.354 0.000 1.231 347 Y CA -1.057 57.225 58.100 0.304 0.000 1.461 347 Y CB -0.320 38.368 38.460 0.379 0.000 1.323 347 Y HN 0.062 nan 8.280 nan 0.000 0.590 348 F N 1.718 121.832 119.950 0.274 0.000 2.803 348 F HA -0.292 4.236 4.527 0.001 0.000 0.323 348 F C -0.114 175.717 175.800 0.051 0.000 1.033 348 F CA 0.798 58.882 58.000 0.140 0.000 1.066 348 F CB -1.264 37.837 39.000 0.168 0.000 1.283 348 F HN 0.783 nan 8.300 nan 0.000 0.816 349 N N -0.002 118.779 118.700 0.135 0.000 3.512 349 N HA 0.372 5.113 4.740 0.001 0.000 0.360 349 N C -0.198 175.343 175.510 0.052 0.000 1.593 349 N CA -0.666 52.435 53.050 0.085 0.000 0.672 349 N CB 0.759 39.282 38.487 0.059 0.000 2.105 349 N HN 0.164 nan 8.380 nan 0.000 0.645 350 N N 0.407 119.129 118.700 0.037 0.000 2.553 350 N HA 0.379 5.119 4.740 0.001 0.000 0.298 350 N C -1.406 174.116 175.510 0.019 0.000 1.596 350 N CA -0.096 52.970 53.050 0.027 0.000 0.910 350 N CB -0.155 38.349 38.487 0.027 0.000 1.336 350 N HN 0.382 nan 8.380 nan 0.000 0.497 351 I N 0.791 121.373 120.570 0.020 0.000 2.371 351 I HA 0.112 4.283 4.170 0.001 0.000 0.290 351 I C 1.311 177.428 176.117 -0.001 0.000 1.028 351 I CA -0.185 61.115 61.300 0.000 0.000 1.345 351 I CB 1.442 39.432 38.000 -0.015 0.000 1.407 351 I HN 0.273 nan 8.210 nan 0.000 0.501 352 S N 2.500 118.193 115.700 -0.012 0.000 2.514 352 S HA 0.066 4.536 4.470 0.001 0.000 0.223 352 S C 0.428 175.004 174.600 -0.039 0.000 1.046 352 S CA -0.168 58.026 58.200 -0.012 0.000 0.914 352 S CB 0.192 63.391 63.200 -0.002 0.000 0.807 352 S HN 0.646 nan 8.310 nan 0.000 0.497 353 D N 0.885 121.252 120.400 -0.054 0.000 2.441 353 D HA 0.383 5.024 4.640 0.001 0.000 0.231 353 D C 0.089 176.321 176.300 -0.113 0.000 1.073 353 D CA -0.621 53.335 54.000 -0.072 0.000 0.850 353 D CB 1.095 41.864 40.800 -0.052 0.000 1.062 353 D HN 0.131 nan 8.370 nan 0.000 0.524 354 I N 3.005 123.476 120.570 -0.166 0.000 3.578 354 I HA -0.061 4.110 4.170 0.001 0.000 0.295 354 I C 1.969 177.978 176.117 -0.180 0.000 1.280 354 I CA 0.596 61.742 61.300 -0.257 0.000 1.347 354 I CB -0.251 37.473 38.000 -0.461 0.000 1.051 354 I HN 0.431 nan 8.210 nan 0.000 0.460 355 S N 0.897 116.526 115.700 -0.119 0.000 2.419 355 S HA 0.008 4.478 4.470 0.001 0.000 0.233 355 S C -0.353 174.205 174.600 -0.071 0.000 1.016 355 S CA 0.668 58.816 58.200 -0.086 0.000 0.974 355 S CB -1.753 61.410 63.200 -0.062 0.000 0.786 355 S HN 0.284 nan 8.310 nan 0.000 0.492 356 P HA -0.041 nan 4.420 nan 0.000 0.221 356 P C 1.734 179.002 177.300 -0.053 0.000 1.145 356 P CA 1.216 64.284 63.100 -0.053 0.000 0.795 356 P CB -0.351 31.319 31.700 -0.050 0.000 0.775 357 V N -2.794 117.076 119.914 -0.073 0.000 3.461 357 V HA -0.063 4.058 4.120 0.001 0.000 0.267 357 V C 2.068 178.137 176.094 -0.041 0.000 1.186 357 V CA 1.588 63.854 62.300 -0.057 0.000 1.154 357 V CB -1.528 30.250 31.823 -0.076 0.000 0.802 357 V HN 0.159 nan 8.190 nan 0.000 0.474 358 S N 1.825 117.498 115.700 -0.045 0.000 2.447 358 S HA -0.136 4.334 4.470 0.001 0.000 0.233 358 S C 1.875 176.463 174.600 -0.020 0.000 1.006 358 S CA 1.341 59.521 58.200 -0.032 0.000 0.957 358 S CB -0.807 62.371 63.200 -0.037 0.000 0.773 358 S HN 0.833 nan 8.310 nan 0.000 0.507 359 S N 1.748 117.436 115.700 -0.019 0.000 2.489 359 S HA 0.236 4.707 4.470 0.001 0.000 0.228 359 S C 0.776 175.373 174.600 -0.006 0.000 0.995 359 S CA 0.116 58.309 58.200 -0.012 0.000 0.934 359 S CB -0.627 62.565 63.200 -0.013 0.000 0.771 359 S HN 0.536 nan 8.310 nan 0.000 0.522 360 L N 3.553 124.773 121.223 -0.005 0.000 2.422 360 L HA 0.243 4.583 4.340 0.001 0.000 0.256 360 L C 1.610 178.485 176.870 0.009 0.000 1.202 360 L CA -0.277 54.565 54.840 0.003 0.000 1.119 360 L CB -0.282 41.780 42.059 0.004 0.000 1.383 360 L HN 0.322 nan 8.230 nan 0.000 0.411 361 T N -3.116 111.443 114.554 0.009 0.000 3.085 361 T HA -0.058 4.292 4.350 0.001 0.000 0.263 361 T C 1.381 176.092 174.700 0.018 0.000 1.127 361 T CA 0.456 62.562 62.100 0.011 0.000 1.103 361 T CB -0.021 68.852 68.868 0.008 0.000 0.921 361 T HN 0.408 nan 8.240 nan 0.000 0.510 362 K N 0.687 121.100 120.400 0.021 0.000 2.487 362 K HA 0.267 4.587 4.320 0.001 0.000 0.192 362 K C 0.391 177.014 176.600 0.037 0.000 1.027 362 K CA -0.113 56.191 56.287 0.027 0.000 1.054 362 K CB -0.138 32.378 32.500 0.027 0.000 0.824 362 K HN 0.416 nan 8.250 nan 0.000 0.510 363 L N 1.655 122.900 121.223 0.036 0.000 2.499 363 L HA -0.080 4.260 4.340 0.001 0.000 0.273 363 L C 1.292 178.194 176.870 0.053 0.000 1.195 363 L CA 0.483 55.350 54.840 0.046 0.000 0.882 363 L CB 0.591 42.672 42.059 0.036 0.000 1.133 363 L HN 0.197 nan 8.230 nan 0.000 0.483 364 Q N 2.630 122.471 119.800 0.069 0.000 2.369 364 Q HA 0.253 4.593 4.340 0.001 0.000 0.254 364 Q C -0.337 175.714 176.000 0.084 0.000 0.858 364 Q CA 0.207 56.057 55.803 0.078 0.000 0.961 364 Q CB 0.926 29.709 28.738 0.074 0.000 1.119 364 Q HN 0.520 nan 8.270 nan 0.000 0.538 365 R N 0.693 121.236 120.500 0.071 0.000 2.515 365 R HA 0.486 4.826 4.340 0.001 0.000 0.291 365 R C -1.872 174.376 176.300 -0.086 0.000 1.046 365 R CA -0.667 55.434 56.100 0.003 0.000 0.914 365 R CB 2.041 32.401 30.300 0.101 0.000 1.191 365 R HN -0.084 nan 8.270 nan 0.000 0.435 366 L N 3.611 124.703 121.223 -0.217 0.000 2.409 366 L HA 0.602 4.943 4.340 0.001 0.000 0.272 366 L C -1.838 174.925 176.870 -0.179 0.000 0.980 366 L CA -0.469 54.333 54.840 -0.063 0.000 0.826 366 L CB 1.371 43.478 42.059 0.079 0.000 1.268 366 L HN 0.473 nan 8.230 nan 0.000 0.407 367 F N 6.499 126.558 119.950 0.182 0.000 2.499 367 F HA 0.499 5.026 4.527 0.001 0.000 0.333 367 F C -0.095 175.942 175.800 0.395 0.000 1.138 367 F CA -0.495 57.646 58.000 0.235 0.000 0.945 367 F CB 1.369 40.530 39.000 0.268 0.000 1.181 367 F HN 0.459 nan 8.300 nan 0.000 0.435 368 F N 1.392 121.540 119.950 0.329 0.000 2.739 368 F HA 0.383 4.910 4.527 0.001 0.000 0.366 368 F C -0.707 175.226 175.800 0.222 0.000 1.279 368 F CA -1.189 56.962 58.000 0.251 0.000 1.151 368 F CB -0.982 38.096 39.000 0.130 0.000 1.132 368 F HN 0.335 nan 8.300 nan 0.000 0.511 369 Y N 3.254 123.597 120.300 0.071 0.000 2.811 369 Y HA 0.110 4.660 4.550 0.001 0.000 0.334 369 Y C 1.127 176.954 175.900 -0.122 0.000 1.247 369 Y CA 0.878 58.958 58.100 -0.033 0.000 1.526 369 Y CB 0.267 38.720 38.460 -0.012 0.000 1.284 369 Y HN 0.555 nan 8.280 nan 0.000 0.586 370 N N 4.343 122.614 118.700 -0.715 0.000 2.643 370 N HA -0.250 4.490 4.740 0.001 0.000 0.267 370 N C -1.768 173.535 175.510 -0.344 0.000 1.158 370 N CA 0.821 53.372 53.050 -0.832 0.000 0.684 370 N CB -1.052 36.471 38.487 -1.606 0.000 0.879 370 N HN 0.872 nan 8.380 nan 0.000 0.553 371 N N 0.520 119.150 118.700 -0.116 0.000 3.418 371 N HA 0.320 5.061 4.740 0.001 0.000 0.316 371 N C -0.280 175.262 175.510 0.054 0.000 1.601 371 N CA -0.458 52.603 53.050 0.020 0.000 0.805 371 N CB 0.593 39.163 38.487 0.138 0.000 1.873 371 N HN 0.157 nan 8.380 nan 0.000 0.615 372 K N 0.825 121.266 120.400 0.070 0.000 2.896 372 K HA 0.337 4.658 4.320 0.001 0.000 0.210 372 K C -0.701 175.942 176.600 0.071 0.000 1.116 372 K CA -0.130 56.201 56.287 0.073 0.000 1.050 372 K CB 0.953 33.484 32.500 0.051 0.000 0.812 372 K HN 0.143 nan 8.250 nan 0.000 0.462 373 V N 1.980 121.957 119.914 0.106 0.000 2.555 373 V HA -0.025 4.095 4.120 0.001 0.000 0.286 373 V C 1.273 177.414 176.094 0.078 0.000 1.044 373 V CA 0.361 62.711 62.300 0.083 0.000 1.026 373 V CB 1.274 33.179 31.823 0.136 0.000 0.981 373 V HN 0.478 nan 8.190 nan 0.000 0.480 374 S N 2.218 117.924 115.700 0.009 0.000 2.691 374 S HA 0.102 4.572 4.470 0.001 0.000 0.241 374 S C 0.613 175.178 174.600 -0.060 0.000 1.077 374 S CA -0.071 58.098 58.200 -0.051 0.000 0.900 374 S CB 0.093 63.220 63.200 -0.122 0.000 0.805 374 S HN 0.670 nan 8.310 nan 0.000 0.529 375 D N 2.880 123.247 120.400 -0.054 0.000 2.365 375 D HA 0.286 4.926 4.640 0.001 0.000 0.237 375 D C 0.833 177.112 176.300 -0.034 0.000 1.190 375 D CA -0.195 53.773 54.000 -0.053 0.000 0.867 375 D CB 1.519 42.287 40.800 -0.055 0.000 1.050 375 D HN 0.258 nan 8.370 nan 0.000 0.491 376 V N 1.786 121.688 119.914 -0.019 0.000 3.444 376 V HA 0.071 4.192 4.120 0.001 0.000 0.308 376 V C 1.764 177.848 176.094 -0.016 0.000 1.371 376 V CA 0.502 62.803 62.300 0.002 0.000 1.141 376 V CB -0.579 31.275 31.823 0.052 0.000 1.037 376 V HN 0.466 nan 8.190 nan 0.000 0.433 377 S N 2.076 117.758 115.700 -0.030 0.000 2.400 377 S HA -0.235 4.235 4.470 0.001 0.000 0.232 377 S C 2.090 176.674 174.600 -0.026 0.000 1.025 377 S CA 1.791 59.973 58.200 -0.029 0.000 0.993 377 S CB -0.951 62.230 63.200 -0.031 0.000 0.808 377 S HN 1.021 nan 8.310 nan 0.000 0.478 378 S N 2.310 117.991 115.700 -0.032 0.000 2.442 378 S HA 0.084 4.554 4.470 0.001 0.000 0.236 378 S C 1.786 176.370 174.600 -0.026 0.000 1.007 378 S CA 0.858 59.039 58.200 -0.033 0.000 0.965 378 S CB -0.925 62.248 63.200 -0.045 0.000 0.773 378 S HN 0.579 nan 8.310 nan 0.000 0.504 379 L N 0.961 122.172 121.223 -0.020 0.000 2.376 379 L HA 0.081 4.422 4.340 0.001 0.000 0.219 379 L C 3.003 179.873 176.870 0.000 0.000 1.133 379 L CA 0.724 55.562 54.840 -0.003 0.000 0.816 379 L CB -0.883 41.192 42.059 0.026 0.000 0.933 379 L HN 0.465 nan 8.230 nan 0.000 0.449 380 A N 0.541 123.357 122.820 -0.007 0.000 2.076 380 A HA -0.197 4.124 4.320 0.001 0.000 0.220 380 A C 1.872 179.454 177.584 -0.005 0.000 1.160 380 A CA 1.511 53.544 52.037 -0.008 0.000 0.653 380 A CB -0.458 18.535 19.000 -0.012 0.000 0.801 380 A HN 0.483 nan 8.150 nan 0.000 0.455 381 N N -0.092 118.604 118.700 -0.006 0.000 2.515 381 N HA 0.018 4.758 4.740 0.001 0.000 0.185 381 N C 0.205 175.716 175.510 0.002 0.000 1.109 381 N CA 0.454 53.502 53.050 -0.004 0.000 0.903 381 N CB -0.110 38.372 38.487 -0.008 0.000 0.969 381 N HN 0.472 nan 8.380 nan 0.000 0.450 382 L N 2.062 123.289 121.223 0.005 0.000 2.536 382 L HA 0.130 4.470 4.340 0.001 0.000 0.242 382 L C 1.528 178.408 176.870 0.017 0.000 1.280 382 L CA -0.201 54.647 54.840 0.013 0.000 1.221 382 L CB -0.350 41.721 42.059 0.019 0.000 1.449 382 L HN 0.073 nan 8.230 nan 0.000 0.405 383 T N -3.842 110.720 114.554 0.014 0.000 3.007 383 T HA -0.092 4.259 4.350 0.001 0.000 0.270 383 T C 1.332 176.045 174.700 0.021 0.000 1.107 383 T CA 0.732 62.840 62.100 0.014 0.000 1.118 383 T CB -0.074 68.801 68.868 0.010 0.000 0.889 383 T HN 0.375 nan 8.240 nan 0.000 0.506 384 N N 0.607 119.323 118.700 0.026 0.000 2.336 384 N HA 0.229 4.970 4.740 0.001 0.000 0.189 384 N C 0.134 175.673 175.510 0.048 0.000 1.113 384 N CA -0.162 52.909 53.050 0.035 0.000 0.858 384 N CB 0.022 38.529 38.487 0.034 0.000 0.970 384 N HN 0.423 nan 8.380 nan 0.000 0.471 385 I N 1.787 122.385 120.570 0.046 0.000 2.618 385 I HA -0.062 4.109 4.170 0.001 0.000 0.284 385 I C 0.969 177.135 176.117 0.081 0.000 1.146 385 I CA 0.386 61.722 61.300 0.060 0.000 1.425 385 I CB 0.547 38.575 38.000 0.046 0.000 1.383 385 I HN -0.018 nan 8.210 nan 0.000 0.562 386 N N 5.402 124.186 118.700 0.140 0.000 2.516 386 N HA 0.061 4.801 4.740 0.001 0.000 0.197 386 N C -0.923 174.763 175.510 0.293 0.000 1.064 386 N CA 0.411 53.589 53.050 0.213 0.000 0.866 386 N CB 0.072 38.741 38.487 0.303 0.000 1.255 386 N HN 0.446 nan 8.380 nan 0.000 0.447 387 W N 1.631 122.885 121.300 -0.077 0.000 2.417 387 W HA 0.547 5.207 4.660 0.001 0.000 0.315 387 W C -0.716 175.633 176.519 -0.283 0.000 1.045 387 W CA -0.753 56.489 57.345 -0.171 0.000 1.221 387 W CB 0.639 29.974 29.460 -0.208 0.000 1.309 387 W HN -0.183 nan 8.180 nan 0.000 0.453 388 L N 3.858 125.032 121.223 -0.082 0.000 2.345 388 L HA 0.559 4.899 4.340 0.001 0.000 0.274 388 L C -0.360 176.385 176.870 -0.208 0.000 0.999 388 L CA -0.313 54.446 54.840 -0.134 0.000 0.849 388 L CB 1.559 43.579 42.059 -0.064 0.000 1.220 388 L HN 0.238 nan 8.230 nan 0.000 0.422 389 S N 3.960 119.481 115.700 -0.299 0.000 2.601 389 S HA 0.791 5.262 4.470 0.001 0.000 0.312 389 S C 0.254 174.640 174.600 -0.357 0.000 1.107 389 S CA 0.197 58.268 58.200 -0.215 0.000 1.129 389 S CB 0.812 63.963 63.200 -0.081 0.000 0.982 389 S HN 0.849 nan 8.310 nan 0.000 0.469 390 A N 3.734 126.328 122.820 -0.375 0.000 2.592 390 A HA 0.617 4.938 4.320 0.001 0.000 0.290 390 A C 0.833 178.274 177.584 -0.238 0.000 0.998 390 A CA -0.110 51.519 52.037 -0.679 0.000 0.983 390 A CB -0.234 18.310 19.000 -0.760 0.000 1.240 390 A HN 0.883 nan 8.150 nan 0.000 0.535 391 G N -1.437 107.366 108.800 0.004 0.000 2.636 391 G HA2 0.349 4.309 3.960 0.001 0.000 0.246 391 G HA3 0.349 4.309 3.960 0.001 0.000 0.246 391 G C 0.472 175.237 174.900 -0.226 0.000 1.216 391 G CA 0.386 45.538 45.100 0.086 0.000 0.854 391 G HN 0.731 nan 8.290 nan 0.000 0.572 392 H N -0.409 118.460 119.070 -0.334 0.000 2.756 392 H HA -0.139 4.418 4.556 0.001 0.000 0.315 392 H C 0.348 175.486 175.328 -0.315 0.000 1.210 392 H CA 1.155 56.917 56.048 -0.475 0.000 1.150 392 H CB -1.263 27.847 29.762 -1.087 0.000 1.463 392 H HN 0.640 nan 8.280 nan 0.000 0.427 393 N N -0.123 118.590 118.700 0.022 0.000 3.223 393 N HA 0.242 4.983 4.740 0.001 0.000 0.350 393 N C 0.347 175.965 175.510 0.180 0.000 1.425 393 N CA -0.487 52.631 53.050 0.113 0.000 0.668 393 N CB 0.614 39.199 38.487 0.163 0.000 1.435 393 N HN 0.307 nan 8.380 nan 0.000 0.569 394 Q N 0.712 120.635 119.800 0.206 0.000 2.129 394 Q HA 0.423 4.764 4.340 0.001 0.000 0.274 394 Q C -0.683 175.377 176.000 0.100 0.000 0.854 394 Q CA -0.104 55.861 55.803 0.271 0.000 1.123 394 Q CB 0.579 29.421 28.738 0.174 0.000 1.226 394 Q HN 0.414 nan 8.270 nan 0.000 0.454 395 I N 1.721 122.415 120.570 0.206 0.000 2.436 395 I HA -0.027 4.143 4.170 0.001 0.000 0.289 395 I C 1.254 177.507 176.117 0.226 0.000 1.083 395 I CA 0.245 61.628 61.300 0.138 0.000 1.372 395 I CB 1.055 39.166 38.000 0.186 0.000 1.408 395 I HN 0.208 nan 8.210 nan 0.000 0.516 396 S N 2.484 118.099 115.700 -0.143 0.000 2.512 396 S HA 0.126 4.597 4.470 0.001 0.000 0.216 396 S C 0.196 174.860 174.600 0.107 0.000 1.006 396 S CA -0.265 57.850 58.200 -0.141 0.000 0.915 396 S CB 0.254 63.004 63.200 -0.751 0.000 0.824 396 S HN 0.677 nan 8.310 nan 0.000 0.497 397 D N 0.526 120.937 120.400 0.019 0.000 2.616 397 D HA 0.333 4.974 4.640 0.001 0.000 0.238 397 D C 0.245 176.484 176.300 -0.102 0.000 1.354 397 D CA -0.454 53.532 54.000 -0.023 0.000 0.970 397 D CB 1.131 41.900 40.800 -0.051 0.000 1.369 397 D HN 0.139 nan 8.370 nan 0.000 0.585 398 L N 2.508 123.633 121.223 -0.163 0.000 2.591 398 L HA 0.044 4.385 4.340 0.001 0.000 0.228 398 L C 2.229 179.030 176.870 -0.115 0.000 1.133 398 L CA 0.651 55.359 54.840 -0.219 0.000 0.880 398 L CB -0.356 41.499 42.059 -0.338 0.000 1.033 398 L HN 0.482 nan 8.230 nan 0.000 0.450 399 T N -1.827 112.684 114.554 -0.071 0.000 2.737 399 T HA -0.114 4.236 4.350 0.001 0.000 0.269 399 T C -0.506 174.168 174.700 -0.043 0.000 1.040 399 T CA 0.843 62.916 62.100 -0.046 0.000 1.142 399 T CB -1.636 67.214 68.868 -0.029 0.000 0.861 399 T HN 0.181 nan 8.240 nan 0.000 0.456 400 P HA 0.083 nan 4.420 nan 0.000 0.225 400 P C 0.919 178.200 177.300 -0.033 0.000 1.148 400 P CA 0.492 63.572 63.100 -0.035 0.000 0.779 400 P CB -0.177 31.502 31.700 -0.034 0.000 0.780 401 L N -1.561 119.635 121.223 -0.045 0.000 2.592 401 L HA 0.246 4.586 4.340 0.001 0.000 0.227 401 L C 2.089 178.936 176.870 -0.038 0.000 1.127 401 L CA 0.047 54.862 54.840 -0.042 0.000 0.884 401 L CB -1.944 40.078 42.059 -0.062 0.000 1.065 401 L HN -0.090 nan 8.230 nan 0.000 0.457 402 A N 0.096 122.896 122.820 -0.035 0.000 2.019 402 A HA -0.150 4.170 4.320 0.001 0.000 0.219 402 A C 1.754 179.326 177.584 -0.019 0.000 1.164 402 A CA 1.432 53.452 52.037 -0.028 0.000 0.644 402 A CB -0.328 18.658 19.000 -0.023 0.000 0.805 402 A HN 0.450 nan 8.150 nan 0.000 0.449 403 N N -0.236 118.455 118.700 -0.016 0.000 2.268 403 N HA 0.162 4.903 4.740 0.001 0.000 0.204 403 N C -0.200 175.306 175.510 -0.007 0.000 1.124 403 N CA 0.168 53.212 53.050 -0.010 0.000 0.838 403 N CB 0.207 38.690 38.487 -0.007 0.000 0.994 403 N HN 0.427 nan 8.380 nan 0.000 0.489 404 L N 1.451 122.668 121.223 -0.009 0.000 2.536 404 L HA 0.165 4.505 4.340 0.001 0.000 0.242 404 L C 1.250 178.118 176.870 -0.004 0.000 1.280 404 L CA -0.124 54.713 54.840 -0.004 0.000 1.221 404 L CB -0.457 41.599 42.059 -0.005 0.000 1.449 404 L HN 0.041 nan 8.230 nan 0.000 0.405 405 T N -4.207 110.347 114.554 -0.001 0.000 3.148 405 T HA 0.021 4.372 4.350 0.001 0.000 0.253 405 T C 1.619 176.323 174.700 0.006 0.000 1.134 405 T CA 0.093 62.192 62.100 -0.001 0.000 1.051 405 T CB -0.057 68.811 68.868 -0.001 0.000 0.959 405 T HN 0.363 nan 8.240 nan 0.000 0.525 406 R N 0.347 120.855 120.500 0.014 0.000 2.299 406 R HA 0.316 4.657 4.340 0.001 0.000 0.197 406 R C 0.424 176.743 176.300 0.032 0.000 0.971 406 R CA -0.080 56.036 56.100 0.026 0.000 1.030 406 R CB -0.244 30.077 30.300 0.036 0.000 0.932 406 R HN 0.462 nan 8.270 nan 0.000 0.477 407 I N 1.828 122.407 120.570 0.015 0.000 2.752 407 I HA -0.144 4.027 4.170 0.001 0.000 0.289 407 I C 1.622 177.727 176.117 -0.021 0.000 1.197 407 I CA 0.870 62.171 61.300 0.001 0.000 1.432 407 I CB 1.033 39.019 38.000 -0.025 0.000 1.359 407 I HN 0.177 nan 8.210 nan 0.000 0.571 408 T N 1.890 116.420 114.554 -0.039 0.000 2.959 408 T HA 0.228 4.578 4.350 0.001 0.000 0.254 408 T C 0.455 175.003 174.700 -0.253 0.000 1.003 408 T CA -0.217 61.826 62.100 -0.095 0.000 0.950 408 T CB 0.574 69.432 68.868 -0.017 0.000 1.090 408 T HN 0.484 nan 8.240 nan 0.000 0.503 409 Q N 0.568 120.137 119.800 -0.386 0.000 2.315 409 Q HA 0.727 5.067 4.340 0.001 0.000 0.273 409 Q C -1.958 173.836 176.000 -0.343 0.000 1.053 409 Q CA -0.658 54.816 55.803 -0.547 0.000 0.817 409 Q CB 2.928 30.908 28.738 -1.263 0.000 1.326 409 Q HN 0.340 nan 8.270 nan 0.000 0.423 410 L N 0.097 121.170 121.223 -0.250 0.000 2.482 410 L HA 0.860 5.201 4.340 0.001 0.000 0.263 410 L C -1.184 175.615 176.870 -0.118 0.000 0.957 410 L CA -0.037 54.708 54.840 -0.157 0.000 0.836 410 L CB 2.493 44.483 42.059 -0.115 0.000 1.324 410 L HN 0.625 nan 8.230 nan 0.000 0.406 411 G N 4.313 113.059 108.800 -0.091 0.000 2.737 411 G HA2 0.578 4.539 3.960 0.001 0.000 0.290 411 G HA3 0.578 4.539 3.960 0.001 0.000 0.290 411 G C -0.774 174.123 174.900 -0.006 0.000 1.482 411 G CA -0.286 44.795 45.100 -0.031 0.000 1.017 411 G HN 0.602 nan 8.290 nan 0.000 0.529 412 L N 2.368 123.626 121.223 0.059 0.000 3.333 412 L HA 0.227 4.568 4.340 0.001 0.000 0.299 412 L C 0.426 177.438 176.870 0.236 0.000 1.256 412 L CA -0.689 54.234 54.840 0.138 0.000 1.037 412 L CB 0.165 42.303 42.059 0.131 0.000 1.423 412 L HN 0.585 nan 8.230 nan 0.000 0.605 413 N N -0.207 118.587 118.700 0.155 0.000 2.525 413 N HA 0.034 4.774 4.740 0.001 0.000 0.271 413 N C -0.550 174.991 175.510 0.051 0.000 1.194 413 N CA -0.066 53.043 53.050 0.099 0.000 0.964 413 N CB 0.988 39.519 38.487 0.073 0.000 1.126 413 N HN 0.017 nan 8.380 nan 0.000 0.452 414 D N -0.454 119.897 120.400 -0.081 0.000 2.739 414 D HA -0.122 4.519 4.640 0.001 0.000 0.240 414 D C -0.431 175.727 176.300 -0.237 0.000 1.114 414 D CA 0.654 54.534 54.000 -0.200 0.000 0.695 414 D CB -0.856 39.845 40.800 -0.165 0.000 1.078 414 D HN 0.597 nan 8.370 nan 0.000 0.434 415 Q N -0.230 119.508 119.800 -0.103 0.000 2.454 415 Q HA 0.598 4.939 4.340 0.001 0.000 0.247 415 Q C 0.448 176.388 176.000 -0.100 0.000 1.028 415 Q CA 0.251 56.083 55.803 0.050 0.000 0.910 415 Q CB 1.112 30.105 28.738 0.425 0.000 1.276 415 Q HN 0.467 nan 8.270 nan 0.000 0.489 416 A N 1.194 124.036 122.820 0.036 0.000 2.540 416 A HA 0.699 5.020 4.320 0.001 0.000 0.297 416 A C -1.872 175.819 177.584 0.177 0.000 1.056 416 A CA -0.800 51.183 52.037 -0.090 0.000 0.700 416 A CB 0.976 19.873 19.000 -0.171 0.000 1.280 416 A HN 0.736 nan 8.150 nan 0.000 0.398 417 W N -0.036 121.238 121.300 -0.043 0.000 3.074 417 W HA 0.761 5.422 4.660 0.001 0.000 0.332 417 W C -1.131 175.367 176.519 -0.035 0.000 1.253 417 W CA -0.760 56.573 57.345 -0.021 0.000 1.180 417 W CB 0.942 30.408 29.460 0.009 0.000 1.445 417 W HN 0.520 nan 8.180 nan 0.000 0.573 418 T N 3.382 118.060 114.554 0.206 0.000 2.791 418 T HA 0.272 4.623 4.350 0.001 0.000 0.288 418 T C -0.210 174.617 174.700 0.211 0.000 0.999 418 T CA -0.582 61.576 62.100 0.097 0.000 0.952 418 T CB 0.296 69.194 68.868 0.051 0.000 0.938 418 T HN 0.348 nan 8.240 nan 0.000 0.444 419 N N 1.809 120.631 118.700 0.204 0.000 2.371 419 N HA 0.364 5.104 4.740 0.001 0.000 0.243 419 N C 0.349 175.934 175.510 0.124 0.000 1.287 419 N CA -0.321 52.859 53.050 0.216 0.000 0.911 419 N CB 0.398 39.011 38.487 0.210 0.000 1.142 419 N HN 0.783 nan 8.380 nan 0.000 0.451 420 A N 1.588 124.473 122.820 0.109 0.000 2.531 420 A HA 0.215 4.535 4.320 0.001 0.000 0.236 420 A C -1.931 175.694 177.584 0.068 0.000 1.062 420 A CA -0.698 51.385 52.037 0.076 0.000 0.760 420 A CB -0.716 18.324 19.000 0.067 0.000 0.995 420 A HN 0.438 nan 8.150 nan 0.000 0.501 421 P HA 0.137 nan 4.420 nan 0.000 0.264 421 P C -0.236 177.097 177.300 0.055 0.000 1.173 421 P CA 0.408 63.537 63.100 0.049 0.000 0.761 421 P CB 0.249 31.978 31.700 0.049 0.000 0.794 422 V N 0.315 120.260 119.914 0.053 0.000 2.919 422 V HA 0.527 4.648 4.120 0.001 0.000 0.316 422 V C 0.021 176.158 176.094 0.071 0.000 1.077 422 V CA -1.171 61.165 62.300 0.060 0.000 0.977 422 V CB 1.957 33.817 31.823 0.062 0.000 1.039 422 V HN 0.277 nan 8.190 nan 0.000 0.441 423 N N 1.768 120.514 118.700 0.078 0.000 2.483 423 N HA 0.124 4.864 4.740 0.001 0.000 0.264 423 N C -0.516 175.070 175.510 0.127 0.000 1.197 423 N CA 0.163 53.279 53.050 0.110 0.000 0.927 423 N CB 0.471 39.011 38.487 0.089 0.000 1.065 423 N HN 0.934 nan 8.380 nan 0.000 0.461 424 Y N 2.647 122.984 120.300 0.061 0.000 2.702 424 Y HA -0.059 4.492 4.550 0.001 0.000 0.336 424 Y C 0.055 175.988 175.900 0.056 0.000 1.235 424 Y CA 0.785 58.914 58.100 0.049 0.000 1.492 424 Y CB 0.459 39.003 38.460 0.140 0.000 1.308 424 Y HN 0.367 nan 8.280 nan 0.000 0.589 425 K N 3.785 123.747 120.400 -0.730 0.000 2.546 425 K HA 0.533 4.854 4.320 0.001 0.000 0.264 425 K C 0.154 176.192 176.600 -0.937 0.000 0.937 425 K CA -0.315 55.595 56.287 -0.630 0.000 0.833 425 K CB 1.892 34.250 32.500 -0.237 0.000 1.378 425 K HN 0.606 nan 8.250 nan 0.000 0.432 426 A N 1.754 124.219 122.820 -0.591 0.000 1.940 426 A HA -0.158 4.162 4.320 0.001 0.000 0.219 426 A C 0.626 178.116 177.584 -0.157 0.000 1.176 426 A CA 1.700 53.550 52.037 -0.312 0.000 0.631 426 A CB -0.502 18.450 19.000 -0.082 0.000 0.814 426 A HN 0.779 nan 8.150 nan 0.000 0.446 427 N N -0.745 117.884 118.700 -0.118 0.000 2.671 427 N HA 0.340 5.081 4.740 0.001 0.000 0.303 427 N C -0.497 175.018 175.510 0.008 0.000 1.351 427 N CA -0.185 52.851 53.050 -0.024 0.000 0.991 427 N CB 1.226 39.702 38.487 -0.018 0.000 1.307 427 N HN 0.205 nan 8.380 nan 0.000 0.512 428 V N 0.508 120.425 119.914 0.005 0.000 2.763 428 V HA 0.272 4.393 4.120 0.001 0.000 0.306 428 V C 0.104 176.356 176.094 0.263 0.000 1.059 428 V CA 0.478 62.821 62.300 0.071 0.000 1.138 428 V CB 1.308 33.126 31.823 -0.009 0.000 0.940 428 V HN 0.361 nan 8.190 nan 0.000 0.489 429 S N 6.240 122.071 115.700 0.218 0.000 2.540 429 S HA 0.741 5.211 4.470 0.001 0.000 0.275 429 S C -0.927 173.806 174.600 0.221 0.000 1.123 429 S CA -0.631 57.696 58.200 0.213 0.000 0.907 429 S CB 1.392 64.636 63.200 0.074 0.000 1.081 429 S HN 1.035 nan 8.310 nan 0.000 0.476 430 I N 0.742 121.464 120.570 0.254 0.000 2.828 430 I HA 0.763 4.933 4.170 0.001 0.000 0.302 430 I C -3.039 173.157 176.117 0.132 0.000 1.101 430 I CA -3.062 58.367 61.300 0.215 0.000 1.031 430 I CB 2.304 40.494 38.000 0.316 0.000 1.231 430 I HN 0.335 nan 8.210 nan 0.000 0.427 431 P HA 0.152 nan 4.420 nan 0.000 0.275 431 P C -1.058 176.312 177.300 0.117 0.000 1.227 431 P CA -0.192 62.965 63.100 0.096 0.000 0.781 431 P CB 0.466 32.219 31.700 0.088 0.000 0.906 432 N N 1.336 120.084 118.700 0.081 0.000 2.497 432 N HA 0.064 4.804 4.740 0.001 0.000 0.268 432 N C 0.579 176.168 175.510 0.131 0.000 1.171 432 N CA 0.287 53.359 53.050 0.037 0.000 0.948 432 N CB 0.118 38.596 38.487 -0.015 0.000 1.069 432 N HN 0.364 nan 8.380 nan 0.000 0.460 433 T N -0.735 113.953 114.554 0.224 0.000 3.044 433 T HA 0.187 4.537 4.350 0.001 0.000 0.260 433 T C 0.221 174.995 174.700 0.123 0.000 1.019 433 T CA -0.352 61.851 62.100 0.171 0.000 0.921 433 T CB -0.340 68.647 68.868 0.197 0.000 1.053 433 T HN 0.111 nan 8.240 nan 0.000 0.533 434 V N 2.148 122.116 119.914 0.089 0.000 2.427 434 V HA 0.405 4.525 4.120 0.001 0.000 0.268 434 V C 0.116 176.201 176.094 -0.014 0.000 1.046 434 V CA -0.473 61.790 62.300 -0.061 0.000 0.970 434 V CB 0.709 32.246 31.823 -0.477 0.000 1.001 434 V HN 0.348 nan 8.190 nan 0.000 0.476 435 K N 3.889 124.333 120.400 0.074 0.000 2.345 435 K HA 0.392 4.713 4.320 0.001 0.000 0.255 435 K C -0.160 176.521 176.600 0.135 0.000 0.934 435 K CA -0.740 55.594 56.287 0.079 0.000 0.801 435 K CB 1.298 33.821 32.500 0.039 0.000 1.137 435 K HN 0.667 nan 8.250 nan 0.000 0.424 436 N N 1.312 120.080 118.700 0.112 0.000 2.347 436 N HA -0.013 4.727 4.740 0.001 0.000 0.253 436 N C 0.923 176.438 175.510 0.009 0.000 1.274 436 N CA -0.155 52.952 53.050 0.095 0.000 0.941 436 N CB 1.171 39.717 38.487 0.098 0.000 1.200 436 N HN 0.351 nan 8.380 nan 0.000 0.514 437 V N 0.748 120.648 119.914 -0.023 0.000 2.594 437 V HA -0.183 3.937 4.120 0.001 0.000 0.253 437 V C 1.988 178.071 176.094 -0.018 0.000 1.069 437 V CA 2.662 64.936 62.300 -0.043 0.000 1.082 437 V CB -0.998 30.794 31.823 -0.053 0.000 0.680 437 V HN 0.940 nan 8.190 nan 0.000 0.469 438 T N -2.877 111.677 114.554 -0.001 0.000 3.035 438 T HA 0.171 4.521 4.350 0.001 0.000 0.268 438 T C 1.641 176.345 174.700 0.006 0.000 1.109 438 T CA 1.146 63.249 62.100 0.004 0.000 1.119 438 T CB 0.164 69.039 68.868 0.013 0.000 0.900 438 T HN 1.264 nan 8.240 nan 0.000 0.503 439 G N 0.999 109.804 108.800 0.008 0.000 2.194 439 G HA2 -0.017 3.943 3.960 0.001 0.000 0.236 439 G HA3 -0.017 3.943 3.960 0.001 0.000 0.236 439 G C 0.268 175.181 174.900 0.021 0.000 0.987 439 G CA -0.114 44.992 45.100 0.010 0.000 0.635 439 G HN 1.174 nan 8.290 nan 0.000 0.520 440 A N 0.496 123.332 122.820 0.028 0.000 2.388 440 A HA 0.732 5.053 4.320 0.001 0.000 0.257 440 A C 0.772 178.384 177.584 0.045 0.000 1.095 440 A CA -0.268 51.790 52.037 0.035 0.000 0.791 440 A CB 0.364 19.386 19.000 0.037 0.000 1.029 440 A HN 0.881 nan 8.150 nan 0.000 0.489 441 L N 1.920 123.174 121.223 0.052 0.000 2.485 441 L HA 0.117 4.458 4.340 0.001 0.000 0.275 441 L C -0.071 176.824 176.870 0.042 0.000 1.207 441 L CA 0.271 55.143 54.840 0.054 0.000 0.855 441 L CB 0.242 42.356 42.059 0.092 0.000 1.114 441 L HN 0.531 nan 8.230 nan 0.000 0.485 442 I N 3.031 123.599 120.570 -0.005 0.000 2.312 442 I HA 0.220 4.390 4.170 0.001 0.000 0.291 442 I C 0.703 176.743 176.117 -0.129 0.000 1.031 442 I CA -0.211 61.071 61.300 -0.031 0.000 1.293 442 I CB 1.288 39.266 38.000 -0.037 0.000 1.403 442 I HN 0.683 nan 8.210 nan 0.000 0.484 443 A N 8.899 131.641 122.820 -0.130 0.000 2.498 443 A HA 0.357 4.678 4.320 0.001 0.000 0.239 443 A C -2.255 175.129 177.584 -0.333 0.000 1.068 443 A CA -0.950 50.855 52.037 -0.386 0.000 0.766 443 A CB -0.562 18.352 19.000 -0.143 0.000 1.003 443 A HN 0.434 nan 8.150 nan 0.000 0.497 444 P HA 0.171 nan 4.420 nan 0.000 0.266 444 P C 0.608 177.844 177.300 -0.107 0.000 1.195 444 P CA 0.688 63.660 63.100 -0.213 0.000 0.768 444 P CB 0.845 32.344 31.700 -0.336 0.000 0.838 445 A N 2.502 125.315 122.820 -0.012 0.000 1.903 445 A HA 0.135 4.456 4.320 0.001 0.000 0.213 445 A C 0.904 178.475 177.584 -0.022 0.000 1.185 445 A CA 1.758 53.782 52.037 -0.021 0.000 0.628 445 A CB -0.677 18.309 19.000 -0.025 0.000 0.830 445 A HN 0.616 nan 8.150 nan 0.000 0.446 446 T N -2.819 111.733 114.554 -0.004 0.000 2.903 446 T HA 0.709 5.060 4.350 0.001 0.000 0.299 446 T C -0.955 173.775 174.700 0.051 0.000 1.093 446 T CA -0.603 61.502 62.100 0.007 0.000 1.002 446 T CB 1.478 70.346 68.868 0.001 0.000 1.127 446 T HN 0.186 nan 8.240 nan 0.000 0.488 447 I N 2.290 122.892 120.570 0.054 0.000 2.569 447 I HA 0.427 4.598 4.170 0.001 0.000 0.290 447 I C 0.510 176.735 176.117 0.181 0.000 1.088 447 I CA -1.015 60.354 61.300 0.116 0.000 1.047 447 I CB 2.540 40.503 38.000 -0.063 0.000 1.237 447 I HN 0.967 nan 8.210 nan 0.000 0.421 448 S N 3.462 119.354 115.700 0.320 0.000 2.593 448 S HA 0.170 4.641 4.470 0.001 0.000 0.269 448 S C 0.327 175.144 174.600 0.363 0.000 1.334 448 S CA -0.207 58.152 58.200 0.264 0.000 1.015 448 S CB 0.773 64.084 63.200 0.186 0.000 0.912 448 S HN 0.807 nan 8.310 nan 0.000 0.541 449 D N 0.513 121.038 120.400 0.208 0.000 2.837 449 D HA -0.168 4.473 4.640 0.001 0.000 0.230 449 D C 0.939 177.381 176.300 0.236 0.000 1.152 449 D CA 1.277 55.399 54.000 0.203 0.000 0.736 449 D CB -1.789 39.121 40.800 0.183 0.000 1.084 449 D HN 1.546 nan 8.370 nan 0.000 0.429 450 G N -0.741 108.150 108.800 0.152 0.000 2.187 450 G HA2 -0.221 3.739 3.960 0.001 0.000 0.261 450 G HA3 -0.221 3.739 3.960 0.001 0.000 0.261 450 G C 0.786 175.701 174.900 0.025 0.000 1.000 450 G CA 0.846 45.994 45.100 0.081 0.000 0.718 450 G HN 0.861 nan 8.290 nan 0.000 0.519 451 G N -0.451 108.333 108.800 -0.026 0.000 2.667 451 G HA2 0.645 4.605 3.960 0.001 0.000 0.250 451 G HA3 0.645 4.605 3.960 0.001 0.000 0.250 451 G C 0.412 175.105 174.900 -0.344 0.000 1.212 451 G CA 0.935 45.774 45.100 -0.434 0.000 0.874 451 G HN 1.731 nan 8.290 nan 0.000 0.561 452 S N -1.207 114.254 115.700 -0.399 0.000 2.595 452 S HA 0.621 5.092 4.470 0.001 0.000 0.281 452 S C -1.488 172.997 174.600 -0.192 0.000 1.117 452 S CA -0.873 57.194 58.200 -0.221 0.000 0.873 452 S CB 2.018 65.130 63.200 -0.146 0.000 1.108 452 S HN 0.782 nan 8.310 nan 0.000 0.477 453 Y N 0.790 120.940 120.300 -0.250 0.000 2.376 453 Y HA 0.648 5.199 4.550 0.001 0.000 0.340 453 Y C -0.911 174.892 175.900 -0.162 0.000 0.965 453 Y CA -0.390 57.569 58.100 -0.235 0.000 1.078 453 Y CB 2.181 40.511 38.460 -0.216 0.000 1.193 453 Y HN 0.849 nan 8.280 nan 0.000 0.452 454 T N 6.332 120.529 114.554 -0.595 0.000 2.906 454 T HA 0.142 4.493 4.350 0.001 0.000 0.302 454 T C -0.907 173.272 174.700 -0.868 0.000 1.002 454 T CA -0.793 60.932 62.100 -0.625 0.000 0.988 454 T CB 0.788 69.468 68.868 -0.313 0.000 0.972 454 T HN 0.713 nan 8.240 nan 0.000 0.447 455 E N 4.838 124.404 120.200 -1.058 0.000 2.652 455 E HA -0.044 4.306 4.350 0.001 0.000 0.255 455 E C -1.226 175.171 176.600 -0.339 0.000 0.952 455 E CA -0.816 55.149 56.400 -0.725 0.000 0.947 455 E CB 0.627 30.156 29.700 -0.285 0.000 0.912 455 E HN 0.308 nan 8.360 nan 0.000 0.489 456 P HA 0.177 nan 4.420 nan 0.000 0.268 456 P C -0.910 176.379 177.300 -0.019 0.000 1.329 456 P CA -0.026 63.032 63.100 -0.069 0.000 0.899 456 P CB 0.509 32.209 31.700 -0.001 0.000 1.378 457 D N 0.970 121.272 120.400 -0.164 0.000 2.168 457 D HA 0.324 4.964 4.640 0.001 0.000 0.246 457 D C 0.321 176.569 176.300 -0.086 0.000 1.050 457 D CA -0.360 53.590 54.000 -0.083 0.000 0.857 457 D CB 2.153 42.896 40.800 -0.094 0.000 1.169 457 D HN 0.090 nan 8.370 nan 0.000 0.453 458 I N 1.431 121.947 120.570 -0.090 0.000 2.331 458 I HA 0.197 4.368 4.170 0.001 0.000 0.292 458 I C 0.229 176.078 176.117 -0.446 0.000 0.998 458 I CA -0.116 60.989 61.300 -0.325 0.000 1.267 458 I CB 1.348 39.031 38.000 -0.529 0.000 1.386 458 I HN 0.047 nan 8.210 nan 0.000 0.476 459 T N 4.835 119.070 114.554 -0.531 0.000 2.861 459 T HA 0.442 4.792 4.350 0.001 0.000 0.287 459 T C -0.808 173.660 174.700 -0.387 0.000 1.003 459 T CA -0.581 61.343 62.100 -0.293 0.000 0.977 459 T CB 1.453 70.234 68.868 -0.146 0.000 0.996 459 T HN 0.390 nan 8.240 nan 0.000 0.448 460 W N 1.547 122.834 121.300 -0.022 0.000 2.671 460 W HA 0.532 5.192 4.660 0.001 0.000 0.360 460 W C 0.117 176.616 176.519 -0.033 0.000 1.128 460 W CA -0.703 56.630 57.345 -0.020 0.000 1.184 460 W CB 1.438 30.888 29.460 -0.016 0.000 1.415 460 W HN 0.435 nan 8.180 nan 0.000 0.604 461 N N 1.978 120.812 118.700 0.224 0.000 2.675 461 N HA 0.287 5.027 4.740 0.001 0.000 0.254 461 N C -1.799 173.782 175.510 0.118 0.000 1.224 461 N CA -0.091 53.026 53.050 0.111 0.000 0.777 461 N CB 0.153 38.678 38.487 0.064 0.000 1.256 461 N HN 0.270 nan 8.380 nan 0.000 0.531 462 L N 3.884 125.168 121.223 0.102 0.000 2.265 462 L HA 0.515 4.855 4.340 0.001 0.000 0.289 462 L C -0.949 176.005 176.870 0.141 0.000 1.033 462 L CA -1.463 53.452 54.840 0.126 0.000 0.814 462 L CB 1.632 43.785 42.059 0.156 0.000 1.203 462 L HN 0.272 nan 8.230 nan 0.000 0.423 463 P HA -0.035 nan 4.420 nan 0.000 0.216 463 P C 0.534 177.925 177.300 0.151 0.000 1.153 463 P CA 0.639 63.806 63.100 0.112 0.000 0.844 463 P CB 0.540 32.286 31.700 0.077 0.000 0.787 464 S N -2.080 113.707 115.700 0.145 0.000 2.638 464 S HA 0.390 4.861 4.470 0.001 0.000 0.302 464 S C -1.135 173.513 174.600 0.080 0.000 1.096 464 S CA -0.698 57.575 58.200 0.122 0.000 0.953 464 S CB 0.430 63.667 63.200 0.063 0.000 1.107 464 S HN 0.025 nan 8.310 nan 0.000 0.503 465 Y N 1.960 122.096 120.300 -0.273 0.000 2.811 465 Y HA 0.298 4.849 4.550 0.001 0.000 0.334 465 Y C 0.419 176.160 175.900 -0.264 0.000 1.247 465 Y CA 1.093 58.795 58.100 -0.663 0.000 1.526 465 Y CB 0.422 38.481 38.460 -0.668 0.000 1.284 465 Y HN 0.481 nan 8.280 nan 0.000 0.586 466 T N 5.574 119.511 114.554 -1.027 0.000 2.909 466 T HA 0.180 4.530 4.350 0.001 0.000 0.299 466 T C 0.632 174.781 174.700 -0.918 0.000 1.073 466 T CA -0.494 61.220 62.100 -0.644 0.000 0.999 466 T CB 0.573 69.259 68.868 -0.303 0.000 1.098 466 T HN 0.866 nan 8.240 nan 0.000 0.477 467 N N 2.927 121.382 118.700 -0.409 0.000 2.396 467 N HA -0.016 4.724 4.740 0.001 0.000 0.180 467 N C 0.236 175.631 175.510 -0.191 0.000 1.028 467 N CA 0.612 53.545 53.050 -0.195 0.000 0.893 467 N CB 0.180 38.664 38.487 -0.004 0.000 0.967 467 N HN 0.921 nan 8.380 nan 0.000 0.440 468 E N -1.218 118.843 120.200 -0.232 0.000 2.396 468 E HA 0.436 4.786 4.350 0.001 0.000 0.280 468 E C -1.232 175.197 176.600 -0.285 0.000 1.065 468 E CA -1.144 55.124 56.400 -0.220 0.000 0.831 468 E CB 1.735 31.353 29.700 -0.137 0.000 1.272 468 E HN -0.069 nan 8.360 nan 0.000 0.443 469 V N -1.326 118.365 119.914 -0.371 0.000 3.155 469 V HA 0.967 5.087 4.120 0.001 0.000 0.313 469 V C -0.335 175.634 176.094 -0.209 0.000 1.162 469 V CA -0.072 61.959 62.300 -0.448 0.000 1.048 469 V CB 1.274 32.370 31.823 -1.211 0.000 1.092 469 V HN 1.146 nan 8.190 nan 0.000 0.447 470 S N -0.006 115.709 115.700 0.025 0.000 2.611 470 S HA 0.855 5.326 4.470 0.001 0.000 0.268 470 S C -1.304 173.500 174.600 0.340 0.000 1.156 470 S CA -0.412 57.848 58.200 0.100 0.000 0.817 470 S CB 1.642 64.810 63.200 -0.052 0.000 1.122 470 S HN 2.276 nan 8.310 nan 0.000 0.466 471 Y N -1.490 118.852 120.300 0.069 0.000 2.655 471 Y HA 0.878 5.428 4.550 0.001 0.000 0.336 471 Y C -0.575 175.289 175.900 -0.060 0.000 1.154 471 Y CA -0.550 57.574 58.100 0.040 0.000 1.055 471 Y CB 1.080 39.578 38.460 0.063 0.000 1.295 471 Y HN 1.083 nan 8.280 nan 0.000 0.465 472 T N -0.105 114.508 114.554 0.099 0.000 2.916 472 T HA 0.822 5.172 4.350 0.001 0.000 0.292 472 T C -1.211 173.540 174.700 0.086 0.000 1.055 472 T CA -0.676 61.374 62.100 -0.083 0.000 1.009 472 T CB 1.875 70.640 68.868 -0.172 0.000 1.118 472 T HN 1.054 nan 8.240 nan 0.000 0.497 473 F N -1.249 118.613 119.950 -0.147 0.000 2.599 473 F HA 0.877 5.404 4.527 0.001 0.000 0.311 473 F C -0.572 175.122 175.800 -0.177 0.000 1.076 473 F CA -1.178 56.735 58.000 -0.145 0.000 0.937 473 F CB 1.893 40.793 39.000 -0.167 0.000 1.282 473 F HN 0.752 nan 8.300 nan 0.000 0.460 474 S N 1.839 117.529 115.700 -0.016 0.000 2.653 474 S HA 0.501 4.972 4.470 0.001 0.000 0.268 474 S C -1.939 172.689 174.600 0.046 0.000 1.153 474 S CA -0.262 57.898 58.200 -0.066 0.000 1.036 474 S CB 1.129 64.267 63.200 -0.104 0.000 1.103 474 S HN 0.950 nan 8.310 nan 0.000 0.466 475 Q N 4.917 124.782 119.800 0.108 0.000 2.295 475 Q HA 0.540 4.881 4.340 0.001 0.000 0.259 475 Q C -2.973 173.119 176.000 0.154 0.000 0.966 475 Q CA -1.563 54.322 55.803 0.137 0.000 0.763 475 Q CB 1.914 30.767 28.738 0.192 0.000 1.283 475 Q HN 0.354 nan 8.270 nan 0.000 0.445 476 P HA 0.111 nan 4.420 nan 0.000 0.266 476 P C -1.270 176.086 177.300 0.093 0.000 1.195 476 P CA -0.119 63.029 63.100 0.082 0.000 0.768 476 P CB 0.965 32.693 31.700 0.047 0.000 0.838 477 V N 2.903 122.865 119.914 0.080 0.000 3.048 477 V HA 0.534 4.654 4.120 0.001 0.000 0.303 477 V C -1.238 174.867 176.094 0.018 0.000 1.214 477 V CA -0.234 62.100 62.300 0.057 0.000 0.984 477 V CB 2.735 34.605 31.823 0.078 0.000 1.054 477 V HN 0.449 nan 8.190 nan 0.000 0.430 478 T N 6.882 121.438 114.554 0.002 0.000 2.848 478 T HA 0.669 5.020 4.350 0.001 0.000 0.285 478 T C -0.783 173.904 174.700 -0.022 0.000 0.995 478 T CA -0.156 61.934 62.100 -0.016 0.000 0.970 478 T CB 1.032 69.892 68.868 -0.013 0.000 0.976 478 T HN 0.543 nan 8.240 nan 0.000 0.441 479 I N 2.741 123.290 120.570 -0.035 0.000 2.436 479 I HA 0.529 4.699 4.170 0.001 0.000 0.289 479 I C 1.164 177.262 176.117 -0.031 0.000 1.010 479 I CA -0.486 60.793 61.300 -0.035 0.000 1.098 479 I CB 1.492 39.464 38.000 -0.046 0.000 1.266 479 I HN 0.890 nan 8.210 nan 0.000 0.434 480 G N 6.307 115.094 108.800 -0.021 0.000 2.602 480 G HA2 -0.342 3.619 3.960 0.001 0.000 0.310 480 G HA3 -0.342 3.619 3.960 0.001 0.000 0.310 480 G C 0.645 175.533 174.900 -0.020 0.000 1.183 480 G CA 0.576 45.666 45.100 -0.016 0.000 0.979 480 G HN 0.666 nan 8.290 nan 0.000 0.545 481 K N 1.206 121.590 120.400 -0.026 0.000 2.358 481 K HA 0.371 4.691 4.320 0.001 0.000 0.200 481 K C 1.203 177.769 176.600 -0.056 0.000 1.030 481 K CA 0.446 56.713 56.287 -0.033 0.000 1.097 481 K CB 0.967 33.452 32.500 -0.026 0.000 0.862 481 K HN 0.635 nan 8.250 nan 0.000 0.534 482 G N 0.838 109.596 108.800 -0.070 0.000 2.372 482 G HA2 0.290 4.251 3.960 0.001 0.000 0.283 482 G HA3 0.290 4.251 3.960 0.001 0.000 0.283 482 G C -0.619 174.234 174.900 -0.079 0.000 1.177 482 G CA -0.033 45.005 45.100 -0.104 0.000 0.842 482 G HN -0.101 nan 8.290 nan 0.000 0.503 483 T N 0.529 115.033 114.554 -0.083 0.000 2.861 483 T HA 0.730 5.081 4.350 0.001 0.000 0.287 483 T C -0.211 174.461 174.700 -0.047 0.000 1.003 483 T CA -0.372 61.697 62.100 -0.051 0.000 0.977 483 T CB 2.056 70.899 68.868 -0.042 0.000 0.996 483 T HN 0.710 nan 8.240 nan 0.000 0.448 484 T N 0.687 115.234 114.554 -0.012 0.000 2.711 484 T HA 0.530 4.880 4.350 0.001 0.000 0.302 484 T C -1.387 173.345 174.700 0.054 0.000 1.373 484 T CA -0.437 61.669 62.100 0.010 0.000 1.000 484 T CB 1.632 70.505 68.868 0.008 0.000 1.483 484 T HN 0.479 nan 8.240 nan 0.000 0.499 485 T N 2.780 117.377 114.554 0.072 0.000 2.756 485 T HA 0.483 4.834 4.350 0.001 0.000 0.290 485 T C -1.026 173.793 174.700 0.197 0.000 0.985 485 T CA -0.263 61.900 62.100 0.104 0.000 0.955 485 T CB 0.023 68.919 68.868 0.047 0.000 0.930 485 T HN 0.402 nan 8.240 nan 0.000 0.451 486 F N 5.270 125.269 119.950 0.082 0.000 2.413 486 F HA 0.526 5.054 4.527 0.001 0.000 0.359 486 F C 0.356 176.281 175.800 0.208 0.000 1.122 486 F CA -1.162 56.937 58.000 0.166 0.000 1.160 486 F CB -0.274 38.846 39.000 0.199 0.000 1.146 486 F HN 0.508 nan 8.300 nan 0.000 0.514 487 S N 4.087 119.712 115.700 -0.125 0.000 2.588 487 S HA 1.015 5.486 4.470 0.001 0.000 0.275 487 S C -0.568 173.372 174.600 -1.100 0.000 1.130 487 S CA -0.223 57.562 58.200 -0.693 0.000 0.855 487 S CB 1.721 64.706 63.200 -0.359 0.000 1.116 487 S HN 1.245 nan 8.310 nan 0.000 0.472 488 G N 0.105 107.833 108.800 -1.787 0.000 2.441 488 G HA2 0.569 4.530 3.960 0.001 0.000 0.294 488 G HA3 0.569 4.530 3.960 0.001 0.000 0.294 488 G C -1.673 172.642 174.900 -0.976 0.000 1.393 488 G CA -0.605 43.758 45.100 -1.228 0.000 0.796 488 G HN 0.874 nan 8.290 nan 0.000 0.494 489 T N 0.209 114.360 114.554 -0.672 0.000 2.881 489 T HA 0.578 4.928 4.350 0.001 0.000 0.291 489 T C -0.659 173.594 174.700 -0.745 0.000 0.990 489 T CA -0.359 61.397 62.100 -0.573 0.000 0.976 489 T CB 1.696 70.326 68.868 -0.397 0.000 0.970 489 T HN 0.588 nan 8.240 nan 0.000 0.438 490 V N 3.669 123.049 119.914 -0.890 0.000 2.417 490 V HA 0.526 4.647 4.120 0.001 0.000 0.291 490 V C 0.261 176.005 176.094 -0.583 0.000 1.024 490 V CA -0.612 61.044 62.300 -1.074 0.000 0.861 490 V CB 1.740 32.660 31.823 -1.504 0.000 0.985 490 V HN 0.950 nan 8.190 nan 0.000 0.436 491 T N 4.316 118.636 114.554 -0.390 0.000 2.824 491 T HA 0.477 4.827 4.350 0.001 0.000 0.280 491 T C -0.513 174.122 174.700 -0.108 0.000 0.995 491 T CA -0.374 61.606 62.100 -0.200 0.000 1.009 491 T CB 1.502 70.279 68.868 -0.151 0.000 0.955 491 T HN 0.616 nan 8.240 nan 0.000 0.452 492 Q N 3.638 123.386 119.800 -0.087 0.000 2.454 492 Q HA 0.387 4.727 4.340 0.001 0.000 0.255 492 Q C -2.823 173.119 176.000 -0.097 0.000 1.034 492 Q CA -2.374 53.396 55.803 -0.055 0.000 0.736 492 Q CB 1.081 29.788 28.738 -0.052 0.000 1.210 492 Q HN 0.235 nan 8.270 nan 0.000 0.500 493 P HA 0.146 nan 4.420 nan 0.000 0.271 493 P C -0.895 176.382 177.300 -0.039 0.000 1.216 493 P CA 0.077 63.150 63.100 -0.045 0.000 0.776 493 P CB 0.675 32.373 31.700 -0.004 0.000 0.881 494 L N 3.081 124.274 121.223 -0.049 0.000 2.341 494 L HA 0.384 4.724 4.340 0.001 0.000 0.278 494 L C 1.376 178.325 176.870 0.131 0.000 1.005 494 L CA -0.687 54.153 54.840 0.000 0.000 0.818 494 L CB 1.975 43.982 42.059 -0.087 0.000 1.259 494 L HN 0.337 nan 8.230 nan 0.000 0.418 495 K N 2.072 122.578 120.400 0.176 0.000 1.991 495 K HA 0.309 4.630 4.320 0.001 0.000 0.207 495 K C 0.437 177.230 176.600 0.323 0.000 1.045 495 K CA 1.193 57.597 56.287 0.196 0.000 0.937 495 K CB 0.185 32.763 32.500 0.129 0.000 0.720 495 K HN 0.750 nan 8.250 nan 0.000 0.438 496 A N 0.000 123.053 122.820 0.388 0.000 2.254 496 A HA 0.000 4.320 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 19.000 19.000 0.001 0.000 0.831 496 A HN 0.000 nan 8.150 nan 0.000 0.486