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 3gyr_1_H DATA FIRST_RESID 37 DATA SEQUENCE APGELTPFAA PLTVPPVLRP ASDEVTRETE IALRPTWVRL HPQLPPTLMW DATA SEQUENCE GYDGQVPGPT IEVRRGQRVR IAWTNRIPKG SEYPVTSVEV PLGPPGTPAP DATA SEQUENCE NTEPGRGGVE PNKDVAALPA WSVTHLHGAQ TGGGNDGWAD NAVGFGDAQL DATA SEQUENCE SEYPNDHQAT QWWYHDHAMN ITRWNVMAGL YGTYLVRDDE EDALGLPSGD DATA SEQUENCE REIPLLIADR NLDTDEDGRL NGRLLHKTVI VQQSNPETGK PVSIPFFGPY DATA SEQUENCE TTVNGRIWPY ADVDDGWYRL RLVNASNARI YNLVLIDEDD RPVPGVVHQI DATA SEQUENCE GSDGGLLPRP VPVDFDDTLP VLSAAPAERF DLLVDFRALG GRRLRLVDKG DATA SEQUENCE PGAPAGTPDP LGGVRYPEVM EFRVRETCEE DSFALPEVLS GSFRRMSHDI DATA SEQUENCE PHGHRLIVLT PPGTKGSGGH PEIWEMAEVE XXXXXQVPAE GVIQVTGADG DATA SEQUENCE RTKTYRRTAR TFNDGLGFTI GEGTHEQWTF LNLSPILHPM HIHLADFQVL DATA SEQUENCE GRDAYDASGF DLALGGTRTP VRLDPDTPVP LAPNELGHKD VFQVPGPQGL DATA SEQUENCE RVMGKFDGAY GRFMYHCHLL EHEDMGMMRP FVVMPPEALK FD 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 37 A HA 0.000 nan 4.320 nan 0.000 0.244 37 A C 0.000 177.606 177.584 0.037 0.000 1.274 37 A CA 0.000 52.058 52.037 0.034 0.000 0.836 37 A CB 0.000 19.027 19.000 0.046 0.000 0.831 38 P HA 0.267 nan 4.420 nan 0.000 0.257 38 P C 1.029 178.350 177.300 0.035 0.000 1.153 38 P CA 2.229 65.346 63.100 0.027 0.000 0.762 38 P CB 0.024 31.739 31.700 0.024 0.000 0.743 39 G N 1.791 110.607 108.800 0.026 0.000 2.137 39 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.237 39 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.237 39 G C -0.132 174.789 174.900 0.035 0.000 1.002 39 G CA -0.277 44.838 45.100 0.026 0.000 0.702 39 G HN 0.583 nan 8.290 nan 0.000 0.515 40 E N -0.822 119.396 120.200 0.030 0.000 2.244 40 E HA 0.635 4.984 4.350 -0.000 0.000 0.266 40 E C 0.407 176.981 176.600 -0.044 0.000 0.914 40 E CA -1.011 55.406 56.400 0.028 0.000 0.794 40 E CB 1.477 31.218 29.700 0.068 0.000 1.210 40 E HN 0.241 nan 8.360 nan 0.000 0.414 41 L N 1.355 122.514 121.223 -0.106 0.000 2.371 41 L HA 0.230 4.570 4.340 -0.000 0.000 0.272 41 L C 0.301 177.145 176.870 -0.043 0.000 1.124 41 L CA -0.295 54.392 54.840 -0.255 0.000 0.816 41 L CB 0.638 42.285 42.059 -0.685 0.000 1.129 41 L HN 0.425 nan 8.230 nan 0.000 0.448 42 T N 4.187 118.763 114.554 0.037 0.000 2.737 42 T HA 0.230 4.580 4.350 -0.000 0.000 0.296 42 T C -2.206 172.607 174.700 0.189 0.000 0.922 42 T CA -0.933 61.222 62.100 0.092 0.000 1.079 42 T CB 0.573 69.505 68.868 0.107 0.000 0.892 42 T HN 0.384 nan 8.240 nan 0.000 0.514 43 P HA 0.236 nan 4.420 nan 0.000 0.274 43 P C -0.101 176.956 177.300 -0.404 0.000 1.231 43 P CA -0.523 62.366 63.100 -0.351 0.000 0.790 43 P CB 0.119 31.063 31.700 -1.260 0.000 0.951 44 F N -1.548 118.566 119.950 0.272 0.000 3.071 44 F HA -0.229 4.298 4.527 -0.000 0.000 0.295 44 F C 1.183 177.152 175.800 0.282 0.000 0.919 44 F CA 0.165 58.315 58.000 0.250 0.000 1.050 44 F CB -2.433 36.664 39.000 0.161 0.000 1.040 44 F HN 0.385 nan 8.300 nan 0.000 0.692 45 A N -0.536 122.439 122.820 0.259 0.000 2.147 45 A HA 0.683 5.003 4.320 -0.000 0.000 0.211 45 A C 1.128 178.786 177.584 0.123 0.000 1.160 45 A CA 0.862 52.984 52.037 0.141 0.000 0.781 45 A CB 0.244 19.224 19.000 -0.032 0.000 0.842 45 A HN 0.967 nan 8.150 nan 0.000 0.475 46 A N 0.506 123.340 122.820 0.024 0.000 2.414 46 A HA 0.703 5.023 4.320 -0.000 0.000 0.306 46 A C -3.095 174.183 177.584 -0.509 0.000 1.054 46 A CA -1.924 50.023 52.037 -0.150 0.000 0.724 46 A CB 1.180 20.061 19.000 -0.199 0.000 1.267 46 A HN 0.060 nan 8.150 nan 0.000 0.418 47 P HA 0.211 nan 4.420 nan 0.000 0.269 47 P C -0.168 176.856 177.300 -0.460 0.000 1.215 47 P CA -0.199 62.321 63.100 -0.966 0.000 0.780 47 P CB 0.605 31.988 31.700 -0.529 0.000 0.898 48 L N 2.841 123.835 121.223 -0.382 0.000 2.490 48 L HA 0.191 4.531 4.340 -0.000 0.000 0.274 48 L C 0.478 177.272 176.870 -0.125 0.000 1.201 48 L CA 0.901 55.625 54.840 -0.192 0.000 0.869 48 L CB -0.009 41.960 42.059 -0.150 0.000 1.123 48 L HN 0.557 nan 8.230 nan 0.000 0.484 49 T N 2.477 116.985 114.554 -0.078 0.000 2.950 49 T HA 0.760 5.109 4.350 -0.000 0.000 0.288 49 T C -0.269 174.422 174.700 -0.014 0.000 1.035 49 T CA -0.331 61.745 62.100 -0.041 0.000 1.028 49 T CB 1.613 70.461 68.868 -0.033 0.000 1.109 49 T HN 0.762 nan 8.240 nan 0.000 0.514 50 V N -1.553 118.363 119.914 0.004 0.000 2.680 50 V HA 0.762 4.881 4.120 -0.000 0.000 0.309 50 V C -2.882 173.225 176.094 0.021 0.000 1.052 50 V CA -2.602 59.709 62.300 0.020 0.000 0.908 50 V CB 0.613 32.458 31.823 0.035 0.000 1.001 50 V HN 0.810 nan 8.190 nan 0.000 0.431 51 P HA 0.318 nan 4.420 nan 0.000 0.270 51 P C -2.578 174.747 177.300 0.042 0.000 1.223 51 P CA -0.691 62.430 63.100 0.035 0.000 0.785 51 P CB -0.295 31.433 31.700 0.046 0.000 0.923 52 P HA 0.085 nan 4.420 nan 0.000 0.274 52 P C -0.916 176.408 177.300 0.041 0.000 1.246 52 P CA -0.077 63.046 63.100 0.039 0.000 0.795 52 P CB 0.529 32.252 31.700 0.038 0.000 1.006 53 V N 2.186 122.115 119.914 0.025 0.000 2.407 53 V HA 0.205 4.325 4.120 -0.000 0.000 0.278 53 V C 0.412 176.506 176.094 -0.000 0.000 1.037 53 V CA -0.419 61.889 62.300 0.014 0.000 0.900 53 V CB 0.836 32.661 31.823 0.003 0.000 0.983 53 V HN 0.373 nan 8.190 nan 0.000 0.459 54 L N 6.542 127.758 121.223 -0.013 0.000 2.322 54 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 54 L C 0.029 176.857 176.870 -0.070 0.000 1.014 54 L CA -0.110 54.708 54.840 -0.036 0.000 0.815 54 L CB 1.507 43.543 42.059 -0.038 0.000 1.247 54 L HN 0.546 nan 8.230 nan 0.000 0.421 55 R N 5.919 126.380 120.500 -0.065 0.000 2.352 55 R HA 0.381 4.720 4.340 -0.000 0.000 0.304 55 R C -1.954 174.305 176.300 -0.069 0.000 1.104 55 R CA -1.281 54.773 56.100 -0.077 0.000 0.991 55 R CB 1.077 31.342 30.300 -0.059 0.000 1.140 55 R HN 0.479 nan 8.270 nan 0.000 0.540 56 P HA 0.100 nan 4.420 nan 0.000 0.261 56 P C 0.079 177.352 177.300 -0.045 0.000 1.268 56 P CA 0.059 63.119 63.100 -0.068 0.000 0.833 56 P CB 0.481 32.131 31.700 -0.083 0.000 1.231 57 A N 0.891 123.686 122.820 -0.041 0.000 2.445 57 A HA 0.469 4.789 4.320 -0.000 0.000 0.242 57 A C 0.606 178.178 177.584 -0.020 0.000 1.075 57 A CA 0.434 52.459 52.037 -0.021 0.000 0.777 57 A CB -0.108 18.880 19.000 -0.020 0.000 1.013 57 A HN 0.364 nan 8.150 nan 0.000 0.493 58 S N 0.065 115.758 115.700 -0.012 0.000 2.615 58 S HA 0.443 4.913 4.470 -0.000 0.000 0.269 58 S C -0.266 174.330 174.600 -0.008 0.000 1.161 58 S CA -0.386 57.806 58.200 -0.013 0.000 0.817 58 S CB 1.045 64.234 63.200 -0.019 0.000 1.131 58 S HN 0.468 nan 8.310 nan 0.000 0.467 59 D N 0.743 121.138 120.400 -0.008 0.000 2.269 59 D HA 0.127 4.767 4.640 -0.000 0.000 0.208 59 D C 0.019 176.316 176.300 -0.005 0.000 0.963 59 D CA 1.009 55.006 54.000 -0.005 0.000 0.864 59 D CB 0.094 40.891 40.800 -0.006 0.000 0.936 59 D HN 0.646 nan 8.370 nan 0.000 0.505 60 E N 0.491 120.685 120.200 -0.009 0.000 2.073 60 E HA 0.136 4.485 4.350 -0.000 0.000 0.269 60 E C 0.585 177.178 176.600 -0.012 0.000 0.917 60 E CA -0.262 56.132 56.400 -0.010 0.000 0.757 60 E CB 2.180 31.872 29.700 -0.013 0.000 1.111 60 E HN -0.216 nan 8.360 nan 0.000 0.410 61 V N 3.534 123.443 119.914 -0.008 0.000 2.667 61 V HA -0.178 3.941 4.120 -0.000 0.000 0.252 61 V C 1.926 178.010 176.094 -0.018 0.000 1.065 61 V CA 2.458 64.753 62.300 -0.008 0.000 1.083 61 V CB -0.153 31.671 31.823 0.001 0.000 0.692 61 V HN 0.837 nan 8.190 nan 0.000 0.468 62 T N -1.707 112.836 114.554 -0.018 0.000 3.085 62 T HA -0.061 4.289 4.350 -0.000 0.000 0.263 62 T C 1.197 175.879 174.700 -0.030 0.000 1.127 62 T CA 0.215 62.301 62.100 -0.024 0.000 1.103 62 T CB -0.378 68.478 68.868 -0.019 0.000 0.921 62 T HN 0.462 nan 8.240 nan 0.000 0.510 63 R N 1.840 122.322 120.500 -0.030 0.000 2.205 63 R HA 0.270 4.610 4.340 -0.000 0.000 0.342 63 R C -0.593 175.678 176.300 -0.048 0.000 1.058 63 R CA -0.323 55.756 56.100 -0.036 0.000 0.904 63 R CB 0.311 30.593 30.300 -0.030 0.000 1.089 63 R HN 0.438 nan 8.270 nan 0.000 0.471 64 E N 1.727 121.891 120.200 -0.061 0.000 2.374 64 E HA 0.084 4.433 4.350 -0.000 0.000 0.260 64 E C -0.497 176.046 176.600 -0.095 0.000 1.101 64 E CA -0.122 56.226 56.400 -0.087 0.000 0.907 64 E CB 1.133 30.773 29.700 -0.101 0.000 1.014 64 E HN 0.441 nan 8.360 nan 0.000 0.427 65 T N 2.092 116.570 114.554 -0.127 0.000 2.728 65 T HA 0.069 4.419 4.350 -0.000 0.000 0.296 65 T C -0.116 174.473 174.700 -0.185 0.000 0.940 65 T CA -0.346 61.671 62.100 -0.139 0.000 1.013 65 T CB 0.475 69.252 68.868 -0.152 0.000 0.912 65 T HN 0.372 nan 8.240 nan 0.000 0.484 66 E N 4.008 124.128 120.200 -0.133 0.000 2.290 66 E HA 0.231 4.580 4.350 -0.000 0.000 0.277 66 E C -0.719 175.807 176.600 -0.123 0.000 1.035 66 E CA -0.303 56.023 56.400 -0.125 0.000 0.873 66 E CB 0.425 30.085 29.700 -0.068 0.000 1.029 66 E HN 0.560 nan 8.360 nan 0.000 0.419 67 I N 4.010 124.489 120.570 -0.151 0.000 2.382 67 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 67 I C -0.335 175.863 176.117 0.135 0.000 1.007 67 I CA -0.733 60.544 61.300 -0.038 0.000 1.142 67 I CB 1.618 39.514 38.000 -0.173 0.000 1.289 67 I HN 0.490 nan 8.210 nan 0.000 0.453 68 A N 7.526 130.431 122.820 0.142 0.000 2.260 68 A HA 0.704 5.024 4.320 -0.000 0.000 0.314 68 A C -0.652 177.025 177.584 0.155 0.000 1.257 68 A CA -0.505 51.607 52.037 0.125 0.000 0.871 68 A CB 0.492 19.532 19.000 0.067 0.000 1.166 68 A HN 0.581 nan 8.150 nan 0.000 0.522 69 L N 3.694 124.990 121.223 0.120 0.000 2.313 69 L HA 0.443 4.782 4.340 -0.000 0.000 0.282 69 L C 0.819 177.655 176.870 -0.056 0.000 1.092 69 L CA 0.836 55.678 54.840 0.004 0.000 0.831 69 L CB 0.225 42.234 42.059 -0.083 0.000 1.159 69 L HN 0.804 nan 8.230 nan 0.000 0.442 70 R N 2.904 123.370 120.500 -0.057 0.000 2.808 70 R HA 0.704 5.044 4.340 -0.000 0.000 0.272 70 R C -2.814 173.448 176.300 -0.063 0.000 0.995 70 R CA -2.104 53.959 56.100 -0.063 0.000 0.917 70 R CB 0.841 31.151 30.300 0.017 0.000 1.217 70 R HN 0.197 nan 8.270 nan 0.000 0.471 71 P HA 0.206 nan 4.420 nan 0.000 0.274 71 P C -0.732 176.584 177.300 0.026 0.000 1.237 71 P CA -0.149 62.980 63.100 0.048 0.000 0.793 71 P CB 1.058 32.791 31.700 0.056 0.000 0.977 72 T N 0.791 115.305 114.554 -0.067 0.000 2.957 72 T HA 0.492 4.842 4.350 -0.000 0.000 0.336 72 T C -2.174 172.407 174.700 -0.198 0.000 1.462 72 T CA -0.497 61.592 62.100 -0.020 0.000 1.073 72 T CB 0.272 69.160 68.868 0.034 0.000 1.319 72 T HN 0.132 nan 8.240 nan 0.000 0.485 73 W N 2.962 124.283 121.300 0.035 0.000 2.478 73 W HA 0.727 5.386 4.660 -0.001 0.000 0.318 73 W C -0.720 175.805 176.519 0.010 0.000 1.062 73 W CA -0.488 56.868 57.345 0.018 0.000 1.210 73 W CB 1.762 31.229 29.460 0.012 0.000 1.325 73 W HN 0.454 nan 8.180 nan 0.000 0.496 74 V N 3.621 123.643 119.914 0.180 0.000 2.686 74 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 74 V C -0.556 175.593 176.094 0.091 0.000 1.065 74 V CA -1.266 61.089 62.300 0.092 0.000 0.894 74 V CB 1.924 33.763 31.823 0.027 0.000 1.004 74 V HN 0.304 nan 8.190 nan 0.000 0.424 75 R N 3.697 124.235 120.500 0.063 0.000 2.296 75 R HA 0.449 4.788 4.340 -0.000 0.000 0.327 75 R C 0.686 176.992 176.300 0.009 0.000 1.137 75 R CA -0.091 56.034 56.100 0.042 0.000 1.020 75 R CB -0.138 30.177 30.300 0.025 0.000 1.110 75 R HN 0.764 nan 8.270 nan 0.000 0.499 76 L N 1.571 122.796 121.223 0.003 0.000 2.131 76 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 76 L C 0.838 177.708 176.870 -0.001 0.000 1.092 76 L CA 1.091 55.915 54.840 -0.026 0.000 0.759 76 L CB -0.271 41.745 42.059 -0.072 0.000 0.903 76 L HN 0.612 nan 8.230 nan 0.000 0.435 77 H N -2.360 116.649 119.070 -0.102 0.000 3.121 77 H HA 0.130 4.686 4.556 -0.000 0.000 0.337 77 H C -2.310 172.982 175.328 -0.061 0.000 1.198 77 H CA -1.085 54.904 56.048 -0.099 0.000 1.274 77 H CB 2.228 31.889 29.762 -0.169 0.000 1.954 77 H HN -0.332 nan 8.280 nan 0.000 0.531 78 P HA -0.088 nan 4.420 nan 0.000 0.219 78 P C 0.683 178.048 177.300 0.109 0.000 1.146 78 P CA 1.341 64.416 63.100 -0.041 0.000 0.808 78 P CB 0.298 31.932 31.700 -0.110 0.000 0.779 79 Q N -1.322 118.684 119.800 0.343 0.000 2.365 79 Q HA 0.168 4.508 4.340 -0.000 0.000 0.203 79 Q C 0.290 176.323 176.000 0.055 0.000 0.929 79 Q CA 0.000 55.906 55.803 0.171 0.000 0.948 79 Q CB -0.036 28.785 28.738 0.138 0.000 1.043 79 Q HN 0.307 nan 8.270 nan 0.000 0.505 80 L N 1.479 122.736 121.223 0.056 0.000 2.330 80 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 80 L C -2.121 174.757 176.870 0.013 0.000 1.013 80 L CA -2.482 52.355 54.840 -0.005 0.000 0.816 80 L CB 1.221 43.254 42.059 -0.043 0.000 1.287 80 L HN -0.074 nan 8.230 nan 0.000 0.435 81 P HA 0.202 nan 4.420 nan 0.000 0.272 81 P C -2.686 174.654 177.300 0.066 0.000 1.240 81 P CA -1.308 61.807 63.100 0.026 0.000 0.791 81 P CB -0.403 31.314 31.700 0.028 0.000 0.978 82 P HA 0.134 nan 4.420 nan 0.000 0.270 82 P C -0.375 177.135 177.300 0.351 0.000 1.223 82 P CA 0.461 63.690 63.100 0.215 0.000 0.785 82 P CB 0.098 31.945 31.700 0.244 0.000 0.923 83 T N 2.110 116.835 114.554 0.286 0.000 2.792 83 T HA 0.343 4.692 4.350 -0.000 0.000 0.280 83 T C -0.410 174.176 174.700 -0.190 0.000 0.990 83 T CA -0.460 61.694 62.100 0.089 0.000 0.960 83 T CB 0.469 69.328 68.868 -0.015 0.000 0.939 83 T HN 0.164 nan 8.240 nan 0.000 0.439 84 L N 5.364 126.209 121.223 -0.630 0.000 2.410 84 L HA 0.498 4.837 4.340 -0.000 0.000 0.273 84 L C -0.504 176.017 176.870 -0.582 0.000 1.144 84 L CA 0.800 54.975 54.840 -1.109 0.000 0.863 84 L CB -0.441 40.955 42.059 -1.106 0.000 1.140 84 L HN 0.660 nan 8.230 nan 0.000 0.463 85 M N 3.590 122.910 119.600 -0.466 0.000 2.664 85 M HA 0.347 4.827 4.480 -0.000 0.000 0.279 85 M C -1.567 174.710 176.300 -0.038 0.000 1.275 85 M CA -0.646 54.487 55.300 -0.279 0.000 0.829 85 M CB 2.051 34.564 32.600 -0.145 0.000 1.727 85 M HN 0.369 nan 8.290 nan 0.000 0.459 86 W N 0.969 122.139 121.300 -0.217 0.000 2.376 86 W HA 0.703 5.363 4.660 0.000 0.000 0.312 86 W C -0.020 176.405 176.519 -0.157 0.000 1.060 86 W CA -1.019 56.219 57.345 -0.178 0.000 1.221 86 W CB 1.279 30.631 29.460 -0.179 0.000 1.281 86 W HN 0.682 nan 8.180 nan 0.000 0.456 87 G N 2.195 111.036 108.800 0.067 0.000 2.591 87 G HA2 0.507 4.466 3.960 -0.000 0.000 0.306 87 G HA3 0.507 4.466 3.960 -0.000 0.000 0.306 87 G C -1.929 172.989 174.900 0.029 0.000 1.334 87 G CA -0.765 44.349 45.100 0.023 0.000 0.981 87 G HN 0.163 nan 8.290 nan 0.000 0.491 88 Y N 1.362 121.772 120.300 0.182 0.000 2.650 88 Y HA 0.085 4.634 4.550 -0.001 0.000 0.331 88 Y C 0.989 176.989 175.900 0.167 0.000 1.165 88 Y CA 0.697 58.938 58.100 0.234 0.000 1.473 88 Y CB 0.503 39.202 38.460 0.399 0.000 1.224 88 Y HN 0.643 nan 8.280 nan 0.000 0.533 89 D N 2.293 122.862 120.400 0.282 0.000 2.811 89 D HA -0.196 4.444 4.640 -0.000 0.000 0.231 89 D C 1.262 177.638 176.300 0.126 0.000 1.157 89 D CA 1.718 55.817 54.000 0.165 0.000 0.716 89 D CB -1.242 39.645 40.800 0.144 0.000 1.077 89 D HN 1.075 nan 8.370 nan 0.000 0.428 90 G N -0.958 107.911 108.800 0.114 0.000 2.179 90 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 90 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 90 G C -0.002 174.949 174.900 0.086 0.000 1.010 90 G CA 0.521 45.673 45.100 0.087 0.000 0.736 90 G HN 0.406 nan 8.290 nan 0.000 0.513 91 Q N -0.672 119.191 119.800 0.105 0.000 2.337 91 Q HA 0.667 5.007 4.340 -0.000 0.000 0.266 91 Q C -0.493 175.539 176.000 0.052 0.000 1.023 91 Q CA -0.722 55.130 55.803 0.080 0.000 0.829 91 Q CB 2.760 31.554 28.738 0.094 0.000 1.306 91 Q HN 0.305 nan 8.270 nan 0.000 0.449 92 V N 3.769 123.684 119.914 0.003 0.000 2.409 92 V HA 0.338 4.457 4.120 -0.000 0.000 0.290 92 V C -2.174 173.855 176.094 -0.109 0.000 1.017 92 V CA -1.626 60.629 62.300 -0.076 0.000 0.841 92 V CB 1.693 33.497 31.823 -0.033 0.000 1.003 92 V HN 0.600 nan 8.190 nan 0.000 0.426 93 P HA 0.265 nan 4.420 nan 0.000 0.273 93 P C 0.499 177.731 177.300 -0.114 0.000 1.250 93 P CA 0.059 62.899 63.100 -0.433 0.000 0.793 93 P CB 0.534 31.949 31.700 -0.474 0.000 1.011 94 G N 0.455 109.256 108.800 0.002 0.000 2.667 94 G HA2 0.300 4.260 3.960 -0.000 0.000 0.250 94 G HA3 0.300 4.260 3.960 -0.000 0.000 0.250 94 G C -2.443 172.601 174.900 0.240 0.000 1.212 94 G CA -0.949 44.317 45.100 0.277 0.000 0.874 94 G HN 0.334 nan 8.290 nan 0.000 0.561 95 P HA 0.084 nan 4.420 nan 0.000 0.265 95 P C 0.123 177.572 177.300 0.248 0.000 1.187 95 P CA 0.249 63.468 63.100 0.199 0.000 0.766 95 P CB 0.333 32.121 31.700 0.146 0.000 0.820 96 T N 4.349 118.996 114.554 0.154 0.000 2.738 96 T HA 0.256 4.606 4.350 -0.000 0.000 0.293 96 T C 0.671 175.419 174.700 0.080 0.000 0.913 96 T CA 0.003 62.192 62.100 0.148 0.000 1.103 96 T CB -0.672 68.249 68.868 0.087 0.000 0.880 96 T HN 0.187 nan 8.240 nan 0.000 0.526 97 I N 3.471 124.089 120.570 0.080 0.000 2.441 97 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 97 I C 0.766 176.719 176.117 -0.274 0.000 1.049 97 I CA -0.032 61.181 61.300 -0.144 0.000 1.381 97 I CB 0.698 38.541 38.000 -0.262 0.000 1.409 97 I HN 0.531 nan 8.210 nan 0.000 0.523 98 E N 6.383 126.433 120.200 -0.251 0.000 2.234 98 E HA 0.657 5.007 4.350 -0.000 0.000 0.266 98 E C -1.436 175.015 176.600 -0.248 0.000 0.877 98 E CA -0.682 55.577 56.400 -0.236 0.000 0.758 98 E CB 2.080 31.707 29.700 -0.122 0.000 1.170 98 E HN 0.447 nan 8.360 nan 0.000 0.415 99 V N 0.773 120.532 119.914 -0.258 0.000 3.159 99 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 99 V C -0.746 175.286 176.094 -0.103 0.000 1.190 99 V CA -1.181 61.019 62.300 -0.166 0.000 1.037 99 V CB 1.904 33.630 31.823 -0.162 0.000 1.060 99 V HN 0.618 nan 8.190 nan 0.000 0.437 100 R N 0.953 121.421 120.500 -0.054 0.000 2.486 100 R HA 0.521 4.861 4.340 -0.000 0.000 0.286 100 R C 0.037 176.336 176.300 -0.002 0.000 0.999 100 R CA -0.864 55.217 56.100 -0.032 0.000 0.993 100 R CB 1.582 31.869 30.300 -0.022 0.000 1.084 100 R HN 0.880 nan 8.270 nan 0.000 0.487 101 R N 0.665 121.164 120.500 -0.002 0.000 2.523 101 R HA -0.120 4.220 4.340 -0.000 0.000 0.281 101 R C 0.685 177.012 176.300 0.044 0.000 0.969 101 R CA 1.781 57.898 56.100 0.029 0.000 1.093 101 R CB -0.040 30.270 30.300 0.016 0.000 0.917 101 R HN 0.940 nan 8.270 nan 0.000 0.408 102 G N 2.630 111.476 108.800 0.076 0.000 2.205 102 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 102 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 102 G C -0.171 174.770 174.900 0.068 0.000 0.980 102 G CA 0.381 45.523 45.100 0.070 0.000 0.632 102 G HN 0.660 nan 8.290 nan 0.000 0.533 103 Q N 0.634 120.474 119.800 0.066 0.000 2.307 103 Q HA 0.335 4.675 4.340 -0.000 0.000 0.261 103 Q C 0.608 176.664 176.000 0.094 0.000 1.051 103 Q CA -0.313 55.526 55.803 0.059 0.000 0.911 103 Q CB 0.782 29.541 28.738 0.034 0.000 1.227 103 Q HN 0.429 nan 8.270 nan 0.000 0.418 104 R N 2.556 123.106 120.500 0.082 0.000 2.316 104 R HA 0.293 4.633 4.340 -0.000 0.000 0.314 104 R C -1.131 175.219 176.300 0.083 0.000 1.069 104 R CA -0.087 56.071 56.100 0.096 0.000 0.959 104 R CB 0.527 30.868 30.300 0.069 0.000 0.987 104 R HN 0.354 nan 8.270 nan 0.000 0.446 105 V N 5.585 125.574 119.914 0.125 0.000 2.656 105 V HA 0.479 4.598 4.120 -0.000 0.000 0.307 105 V C -0.437 175.695 176.094 0.064 0.000 1.051 105 V CA -0.832 61.532 62.300 0.107 0.000 0.893 105 V CB 2.178 34.111 31.823 0.183 0.000 0.999 105 V HN 0.804 nan 8.190 nan 0.000 0.426 106 R N 4.294 124.785 120.500 -0.015 0.000 2.534 106 R HA 0.754 5.093 4.340 -0.000 0.000 0.301 106 R C -1.377 174.835 176.300 -0.147 0.000 0.961 106 R CA -0.583 55.459 56.100 -0.097 0.000 0.871 106 R CB 2.325 32.570 30.300 -0.092 0.000 1.170 106 R HN 0.561 nan 8.270 nan 0.000 0.446 107 I N 1.477 121.898 120.570 -0.250 0.000 2.498 107 I HA 0.357 4.526 4.170 -0.000 0.000 0.290 107 I C -0.354 175.465 176.117 -0.496 0.000 1.032 107 I CA -0.696 60.337 61.300 -0.444 0.000 1.073 107 I CB 2.250 39.829 38.000 -0.702 0.000 1.251 107 I HN 0.664 nan 8.210 nan 0.000 0.426 108 A N 6.574 129.151 122.820 -0.404 0.000 2.621 108 A HA 0.374 4.694 4.320 -0.000 0.000 0.329 108 A C -1.246 176.206 177.584 -0.219 0.000 1.458 108 A CA -0.373 51.520 52.037 -0.240 0.000 1.052 108 A CB -0.432 18.490 19.000 -0.131 0.000 1.142 108 A HN 0.687 nan 8.150 nan 0.000 0.523 109 W N 2.326 123.633 121.300 0.011 0.000 2.605 109 W HA 0.344 5.004 4.660 0.000 0.000 0.327 109 W C 0.054 176.600 176.519 0.045 0.000 1.332 109 W CA 0.098 57.479 57.345 0.060 0.000 1.403 109 W CB 0.357 29.872 29.460 0.092 0.000 1.452 109 W HN 0.466 nan 8.180 nan 0.000 0.503 110 T N 3.660 118.339 114.554 0.207 0.000 2.809 110 T HA 0.060 4.410 4.350 -0.000 0.000 0.296 110 T C -0.154 174.584 174.700 0.064 0.000 1.015 110 T CA -0.847 61.303 62.100 0.083 0.000 0.954 110 T CB 0.475 69.352 68.868 0.013 0.000 0.950 110 T HN 0.187 nan 8.240 nan 0.000 0.450 111 N N 3.002 121.716 118.700 0.023 0.000 2.406 111 N HA 0.066 4.806 4.740 -0.000 0.000 0.265 111 N C 0.362 175.854 175.510 -0.030 0.000 1.203 111 N CA -0.162 52.888 53.050 0.000 0.000 0.945 111 N CB 0.351 38.847 38.487 0.014 0.000 1.165 111 N HN 0.478 nan 8.380 nan 0.000 0.485 112 R N 3.846 124.362 120.500 0.025 0.000 2.700 112 R HA 0.291 4.631 4.340 -0.000 0.000 0.377 112 R C -0.225 176.215 176.300 0.232 0.000 1.130 112 R CA -0.313 55.873 56.100 0.143 0.000 1.055 112 R CB 0.276 30.623 30.300 0.078 0.000 1.387 112 R HN 0.512 nan 8.270 nan 0.000 0.580 113 I N 3.186 123.826 120.570 0.116 0.000 2.301 113 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 113 I C -2.111 173.928 176.117 -0.130 0.000 1.046 113 I CA -2.185 59.026 61.300 -0.147 0.000 1.282 113 I CB 0.895 38.519 38.000 -0.627 0.000 1.409 113 I HN -0.270 nan 8.210 nan 0.000 0.484 114 P HA 0.044 nan 4.420 nan 0.000 0.267 114 P C -0.502 176.523 177.300 -0.458 0.000 1.200 114 P CA -0.291 62.348 63.100 -0.768 0.000 0.772 114 P CB 0.482 31.894 31.700 -0.480 0.000 0.855 115 K N 1.339 121.432 120.400 -0.512 0.000 2.518 115 K HA 0.209 4.529 4.320 -0.000 0.000 0.276 115 K C 1.482 178.011 176.600 -0.117 0.000 0.974 115 K CA 1.427 57.600 56.287 -0.191 0.000 0.986 115 K CB -0.481 31.945 32.500 -0.123 0.000 0.901 115 K HN 0.805 nan 8.250 nan 0.000 0.497 116 G N 1.253 110.036 108.800 -0.029 0.000 2.234 116 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.260 116 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.260 116 G C 0.050 174.972 174.900 0.038 0.000 0.987 116 G CA 0.324 45.424 45.100 0.001 0.000 0.625 116 G HN 0.582 nan 8.290 nan 0.000 0.532 117 S N 0.952 116.679 115.700 0.046 0.000 2.561 117 S HA 0.239 4.709 4.470 -0.000 0.000 0.294 117 S C 0.526 175.241 174.600 0.191 0.000 1.294 117 S CA 0.183 58.457 58.200 0.123 0.000 1.055 117 S CB 1.128 64.422 63.200 0.157 0.000 0.819 117 S HN 0.518 nan 8.310 nan 0.000 0.503 118 E N 1.007 121.302 120.200 0.158 0.000 2.384 118 E HA -0.006 4.344 4.350 -0.000 0.000 0.266 118 E C -0.827 175.850 176.600 0.128 0.000 1.012 118 E CA -0.141 56.333 56.400 0.124 0.000 0.901 118 E CB 0.354 30.097 29.700 0.071 0.000 0.967 118 E HN 0.569 nan 8.360 nan 0.000 0.435 119 Y N 5.768 126.043 120.300 -0.042 0.000 2.465 119 Y HA 0.107 4.656 4.550 -0.000 0.000 0.331 119 Y C -1.804 173.868 175.900 -0.380 0.000 1.102 119 Y CA -1.808 56.148 58.100 -0.241 0.000 1.358 119 Y CB 1.038 39.359 38.460 -0.232 0.000 1.213 119 Y HN 0.520 nan 8.280 nan 0.000 0.525 120 P HA -0.079 nan 4.420 nan 0.000 0.223 120 P C -0.763 176.211 177.300 -0.543 0.000 1.151 120 P CA 1.004 63.606 63.100 -0.830 0.000 0.787 120 P CB 0.228 31.298 31.700 -1.051 0.000 0.788 121 V N -0.069 119.532 119.914 -0.522 0.000 2.417 121 V HA 0.212 4.332 4.120 -0.000 0.000 0.291 121 V C 0.259 176.330 176.094 -0.037 0.000 1.024 121 V CA -0.430 61.766 62.300 -0.174 0.000 0.861 121 V CB 1.481 33.283 31.823 -0.034 0.000 0.985 121 V HN -0.117 nan 8.190 nan 0.000 0.436 122 T N 3.528 118.065 114.554 -0.030 0.000 2.856 122 T HA 0.305 4.655 4.350 -0.000 0.000 0.292 122 T C 0.136 174.851 174.700 0.026 0.000 0.980 122 T CA 0.016 62.104 62.100 -0.019 0.000 1.091 122 T CB 1.204 70.075 68.868 0.005 0.000 0.936 122 T HN 0.641 nan 8.240 nan 0.000 0.503 123 S N 2.310 117.986 115.700 -0.039 0.000 2.449 123 S HA 0.716 5.185 4.470 -0.000 0.000 0.310 123 S C -0.479 174.180 174.600 0.097 0.000 1.096 123 S CA -0.709 57.535 58.200 0.073 0.000 1.095 123 S CB 0.277 63.411 63.200 -0.110 0.000 1.007 123 S HN 0.658 nan 8.310 nan 0.000 0.474 124 V N 2.150 122.174 119.914 0.183 0.000 3.007 124 V HA 0.753 4.873 4.120 -0.000 0.000 0.311 124 V C -0.951 175.247 176.094 0.173 0.000 1.120 124 V CA -0.957 61.427 62.300 0.139 0.000 0.980 124 V CB 1.790 33.675 31.823 0.102 0.000 1.033 124 V HN 0.822 nan 8.190 nan 0.000 0.429 125 E N 1.313 121.593 120.200 0.133 0.000 2.227 125 E HA 0.820 5.170 4.350 -0.000 0.000 0.268 125 E C -1.576 175.075 176.600 0.084 0.000 0.907 125 E CA -0.858 55.615 56.400 0.121 0.000 0.786 125 E CB 2.742 32.518 29.700 0.127 0.000 1.191 125 E HN 0.598 nan 8.360 nan 0.000 0.411 126 V N 3.377 123.334 119.914 0.072 0.000 2.808 126 V HA 0.326 4.446 4.120 -0.000 0.000 0.308 126 V C -2.433 173.686 176.094 0.042 0.000 1.099 126 V CA -2.081 60.251 62.300 0.053 0.000 0.920 126 V CB 2.292 34.146 31.823 0.051 0.000 1.014 126 V HN 0.559 nan 8.190 nan 0.000 0.425 127 P HA 0.215 nan 4.420 nan 0.000 0.271 127 P C 1.072 178.383 177.300 0.018 0.000 1.233 127 P CA -0.041 63.075 63.100 0.026 0.000 0.789 127 P CB 0.746 32.459 31.700 0.021 0.000 0.951 128 L N 0.633 121.864 121.223 0.014 0.000 2.043 128 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 128 L C 1.214 178.083 176.870 -0.003 0.000 1.075 128 L CA 1.947 56.790 54.840 0.005 0.000 0.752 128 L CB -1.100 40.961 42.059 0.003 0.000 0.891 128 L HN 0.785 nan 8.230 nan 0.000 0.432 129 G N -1.266 107.533 108.800 -0.001 0.000 2.814 129 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.677 129 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.677 129 G C -2.489 172.404 174.900 -0.012 0.000 1.429 129 G CA -0.846 44.250 45.100 -0.007 0.000 0.868 129 G HN 0.121 nan 8.290 nan 0.000 0.553 130 P HA 0.343 nan 4.420 nan 0.000 0.270 130 P C -2.103 175.185 177.300 -0.020 0.000 1.223 130 P CA -0.648 62.443 63.100 -0.015 0.000 0.785 130 P CB 0.056 31.747 31.700 -0.016 0.000 0.923 131 P HA 0.183 nan 4.420 nan 0.000 0.275 131 P C 0.794 178.078 177.300 -0.027 0.000 1.228 131 P CA 0.344 63.430 63.100 -0.023 0.000 0.786 131 P CB 0.376 32.065 31.700 -0.018 0.000 0.927 132 G N 0.553 109.333 108.800 -0.033 0.000 2.189 132 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.267 132 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.267 132 G C 0.331 175.207 174.900 -0.041 0.000 0.975 132 G CA 0.673 45.752 45.100 -0.037 0.000 0.644 132 G HN 0.909 nan 8.290 nan 0.000 0.537 133 T N -1.864 112.665 114.554 -0.042 0.000 2.940 133 T HA 0.702 5.052 4.350 -0.000 0.000 0.288 133 T C -2.649 172.015 174.700 -0.060 0.000 1.033 133 T CA -1.730 60.342 62.100 -0.047 0.000 1.033 133 T CB 2.638 71.483 68.868 -0.038 0.000 1.079 133 T HN -0.001 nan 8.240 nan 0.000 0.496 134 P HA 0.351 nan 4.420 nan 0.000 0.265 134 P C -0.146 177.107 177.300 -0.079 0.000 1.193 134 P CA -0.140 62.906 63.100 -0.090 0.000 0.765 134 P CB 0.038 31.675 31.700 -0.106 0.000 0.823 135 A N 6.379 129.146 122.820 -0.088 0.000 2.536 135 A HA 0.112 4.431 4.320 -0.000 0.000 0.234 135 A C -1.169 176.378 177.584 -0.062 0.000 1.076 135 A CA -0.495 51.499 52.037 -0.072 0.000 0.769 135 A CB -0.926 18.024 19.000 -0.084 0.000 1.020 135 A HN 0.448 nan 8.150 nan 0.000 0.508 136 P HA -0.115 nan 4.420 nan 0.000 0.225 136 P C 0.622 177.901 177.300 -0.034 0.000 1.148 136 P CA 1.387 64.472 63.100 -0.025 0.000 0.779 136 P CB -0.082 31.616 31.700 -0.003 0.000 0.780 137 N N -1.329 117.338 118.700 -0.056 0.000 2.461 137 N HA -0.057 4.683 4.740 -0.000 0.000 0.188 137 N C 0.853 176.289 175.510 -0.123 0.000 1.134 137 N CA 0.933 53.932 53.050 -0.084 0.000 0.878 137 N CB -1.662 36.763 38.487 -0.104 0.000 0.972 137 N HN 0.126 nan 8.380 nan 0.000 0.456 138 T N -3.767 110.713 114.554 -0.123 0.000 3.129 138 T HA 0.174 4.524 4.350 -0.000 0.000 0.251 138 T C 0.088 174.706 174.700 -0.137 0.000 1.117 138 T CA -0.061 61.940 62.100 -0.165 0.000 1.034 138 T CB -0.085 68.672 68.868 -0.185 0.000 0.968 138 T HN 0.199 nan 8.240 nan 0.000 0.526 139 E N 2.103 122.263 120.200 -0.066 0.000 2.288 139 E HA 0.431 4.781 4.350 -0.000 0.000 0.268 139 E C -2.819 173.816 176.600 0.058 0.000 0.885 139 E CA -2.932 53.467 56.400 -0.002 0.000 0.767 139 E CB 2.231 31.937 29.700 0.009 0.000 1.220 139 E HN 0.127 nan 8.360 nan 0.000 0.427 140 P HA 0.184 nan 4.420 nan 0.000 0.272 140 P C 0.142 177.516 177.300 0.123 0.000 1.240 140 P CA 0.256 63.474 63.100 0.197 0.000 0.791 140 P CB 0.636 32.495 31.700 0.265 0.000 0.978 141 G N 1.072 109.941 108.800 0.115 0.000 2.707 141 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.686 141 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.686 141 G C 0.158 175.103 174.900 0.075 0.000 1.315 141 G CA -0.539 44.611 45.100 0.082 0.000 0.832 141 G HN 0.504 nan 8.290 nan 0.000 0.573 142 R N 0.756 121.293 120.500 0.061 0.000 2.317 142 R HA 0.422 4.762 4.340 -0.000 0.000 0.208 142 R C 2.089 178.417 176.300 0.047 0.000 0.914 142 R CA 1.568 57.703 56.100 0.057 0.000 1.060 142 R CB -0.067 30.264 30.300 0.050 0.000 1.015 142 R HN 2.133 nan 8.270 nan 0.000 0.498 143 G N 0.081 108.906 108.800 0.041 0.000 2.583 143 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.292 143 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.292 143 G C 0.759 175.677 174.900 0.029 0.000 1.203 143 G CA 0.007 45.127 45.100 0.032 0.000 0.987 143 G HN 0.418 nan 8.290 nan 0.000 0.554 144 G N -0.635 108.181 108.800 0.026 0.000 3.088 144 G HA2 0.456 4.416 3.960 -0.000 0.000 0.217 144 G HA3 0.456 4.416 3.960 -0.000 0.000 0.217 144 G C 0.598 175.513 174.900 0.024 0.000 1.159 144 G CA 1.022 46.136 45.100 0.023 0.000 0.760 144 G HN 1.164 nan 8.290 nan 0.000 0.550 145 V N 2.070 122.002 119.914 0.029 0.000 2.572 145 V HA 0.110 4.230 4.120 -0.000 0.000 0.291 145 V C 0.284 176.394 176.094 0.028 0.000 1.039 145 V CA -0.758 61.560 62.300 0.030 0.000 1.055 145 V CB 1.163 33.009 31.823 0.039 0.000 0.969 145 V HN 0.251 nan 8.190 nan 0.000 0.482 146 E N 5.168 125.380 120.200 0.021 0.000 2.415 146 E HA 0.166 4.516 4.350 -0.000 0.000 0.262 146 E C -2.274 174.333 176.600 0.011 0.000 1.038 146 E CA -1.622 54.786 56.400 0.013 0.000 0.921 146 E CB 0.189 29.892 29.700 0.006 0.000 0.950 146 E HN 0.460 nan 8.360 nan 0.000 0.438 147 P HA -0.051 nan 4.420 nan 0.000 0.265 147 P C 0.013 177.291 177.300 -0.037 0.000 1.193 147 P CA -0.031 63.061 63.100 -0.014 0.000 0.765 147 P CB 0.353 32.038 31.700 -0.025 0.000 0.823 148 N N 3.473 122.138 118.700 -0.058 0.000 2.429 148 N HA -0.066 4.674 4.740 -0.000 0.000 0.271 148 N C 0.861 176.286 175.510 -0.141 0.000 1.272 148 N CA 0.271 53.265 53.050 -0.092 0.000 0.921 148 N CB 0.373 38.789 38.487 -0.118 0.000 1.128 148 N HN 0.126 nan 8.380 nan 0.000 0.481 149 K N 2.659 122.996 120.400 -0.104 0.000 2.211 149 K HA -0.087 4.233 4.320 -0.000 0.000 0.203 149 K C 0.783 177.294 176.600 -0.149 0.000 1.050 149 K CA 0.944 57.167 56.287 -0.107 0.000 0.945 149 K CB 0.049 32.508 32.500 -0.069 0.000 0.732 149 K HN 0.591 nan 8.250 nan 0.000 0.451 150 D N 0.518 120.818 120.400 -0.166 0.000 2.144 150 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 150 D C 2.006 178.104 176.300 -0.336 0.000 0.984 150 D CA 0.734 54.612 54.000 -0.203 0.000 0.834 150 D CB -0.088 40.617 40.800 -0.159 0.000 0.955 150 D HN -0.078 nan 8.370 nan 0.000 0.465 151 V N 1.691 121.315 119.914 -0.483 0.000 2.270 151 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 151 V C 2.627 178.349 176.094 -0.619 0.000 1.043 151 V CA 1.674 63.498 62.300 -0.792 0.000 1.014 151 V CB -0.863 30.315 31.823 -1.074 0.000 0.645 151 V HN 0.169 nan 8.190 nan 0.000 0.447 152 A N 0.084 122.690 122.820 -0.357 0.000 2.032 152 A HA -0.158 4.162 4.320 -0.000 0.000 0.221 152 A C 2.233 179.732 177.584 -0.143 0.000 1.165 152 A CA 2.087 54.015 52.037 -0.182 0.000 0.645 152 A CB -0.631 18.302 19.000 -0.113 0.000 0.807 152 A HN 0.623 nan 8.150 nan 0.000 0.453 153 A N -0.856 121.856 122.820 -0.180 0.000 2.208 153 A HA 0.384 4.703 4.320 -0.000 0.000 0.209 153 A C 0.868 178.368 177.584 -0.140 0.000 1.161 153 A CA -0.237 51.724 52.037 -0.126 0.000 0.782 153 A CB -0.437 18.496 19.000 -0.112 0.000 0.816 153 A HN 0.444 nan 8.150 nan 0.000 0.477 154 L N 2.197 123.256 121.223 -0.274 0.000 2.559 154 L HA 0.105 4.445 4.340 -0.000 0.000 0.274 154 L C -1.660 175.232 176.870 0.037 0.000 1.205 154 L CA -1.141 53.558 54.840 -0.235 0.000 0.907 154 L CB 0.250 41.949 42.059 -0.600 0.000 1.153 154 L HN 0.248 nan 8.230 nan 0.000 0.490 155 P HA 0.178 nan 4.420 nan 0.000 0.278 155 P C -0.982 176.579 177.300 0.435 0.000 1.266 155 P CA -0.721 62.517 63.100 0.231 0.000 0.807 155 P CB 0.896 32.669 31.700 0.121 0.000 1.094 156 A N 0.864 123.908 122.820 0.372 0.000 2.484 156 A HA 0.264 4.583 4.320 -0.000 0.000 0.268 156 A C -0.947 176.833 177.584 0.326 0.000 1.114 156 A CA 0.011 52.174 52.037 0.210 0.000 0.780 156 A CB -1.018 17.666 19.000 -0.526 0.000 1.061 156 A HN 0.628 nan 8.150 nan 0.000 0.505 157 W N 2.834 124.247 121.300 0.188 0.000 2.835 157 W HA 0.532 5.192 4.660 -0.001 0.000 0.326 157 W C -0.659 175.948 176.519 0.148 0.000 1.024 157 W CA -0.210 57.216 57.345 0.135 0.000 1.267 157 W CB 1.386 30.919 29.460 0.122 0.000 1.267 157 W HN 0.680 nan 8.180 nan 0.000 0.412 158 S N 4.492 120.079 115.700 -0.188 0.000 2.540 158 S HA 0.823 5.293 4.470 -0.000 0.000 0.275 158 S C -2.163 172.294 174.600 -0.240 0.000 1.123 158 S CA -0.609 57.495 58.200 -0.161 0.000 0.907 158 S CB 1.569 64.773 63.200 0.006 0.000 1.081 158 S HN 0.573 nan 8.310 nan 0.000 0.476 159 V N 3.725 123.504 119.914 -0.225 0.000 2.760 159 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 159 V C -0.779 175.219 176.094 -0.161 0.000 1.077 159 V CA -0.142 62.045 62.300 -0.188 0.000 0.910 159 V CB 2.310 33.988 31.823 -0.242 0.000 1.008 159 V HN 0.962 nan 8.190 nan 0.000 0.424 160 T N 5.066 119.449 114.554 -0.284 0.000 2.794 160 T HA 0.487 4.837 4.350 -0.000 0.000 0.280 160 T C -1.223 173.181 174.700 -0.493 0.000 0.987 160 T CA -0.008 61.777 62.100 -0.525 0.000 0.993 160 T CB 0.577 68.663 68.868 -1.304 0.000 0.939 160 T HN 0.857 nan 8.240 nan 0.000 0.449 161 H N 2.760 121.512 119.070 -0.532 0.000 2.505 161 H HA 0.556 5.111 4.556 -0.000 0.000 0.338 161 H C -1.032 173.981 175.328 -0.526 0.000 1.057 161 H CA -1.160 54.625 56.048 -0.438 0.000 1.202 161 H CB 0.727 30.280 29.762 -0.348 0.000 1.466 161 H HN 0.377 nan 8.280 nan 0.000 0.499 162 L N 6.511 127.215 121.223 -0.865 0.000 2.312 162 L HA 0.215 4.555 4.340 -0.000 0.000 0.287 162 L C -0.510 175.646 176.870 -1.190 0.000 1.091 162 L CA -0.116 54.188 54.840 -0.893 0.000 0.846 162 L CB -0.578 40.953 42.059 -0.880 0.000 1.219 162 L HN 0.847 nan 8.230 nan 0.000 0.439 163 H N 4.843 123.221 119.070 -1.154 0.000 2.819 163 H HA 0.480 5.036 4.556 -0.000 0.000 0.303 163 H C 1.167 176.135 175.328 -0.600 0.000 1.058 163 H CA 0.575 56.085 56.048 -0.897 0.000 1.471 163 H CB 0.616 29.935 29.762 -0.738 0.000 1.480 163 H HN 0.906 nan 8.280 nan 0.000 0.517 164 G N 2.681 111.282 108.800 -0.332 0.000 2.213 164 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.236 164 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.236 164 G C 0.331 174.387 174.900 -1.406 0.000 0.991 164 G CA -0.056 44.726 45.100 -0.530 0.000 0.629 164 G HN 0.952 nan 8.290 nan 0.000 0.517 165 A N 0.151 122.013 122.820 -1.597 0.000 2.407 165 A HA 0.640 4.959 4.320 -0.000 0.000 0.248 165 A C 0.560 177.705 177.584 -0.732 0.000 1.082 165 A CA 0.835 51.770 52.037 -1.837 0.000 0.785 165 A CB 0.493 18.726 19.000 -1.279 0.000 1.020 165 A HN 0.778 nan 8.150 nan 0.000 0.489 166 Q N 1.343 120.892 119.800 -0.417 0.000 2.421 166 Q HA 0.473 4.813 4.340 -0.000 0.000 0.242 166 Q C -0.498 175.513 176.000 0.019 0.000 1.024 166 Q CA 0.016 55.772 55.803 -0.079 0.000 0.891 166 Q CB 0.517 29.325 28.738 0.116 0.000 1.222 166 Q HN 0.819 nan 8.270 nan 0.000 0.483 167 T N 1.581 116.172 114.554 0.060 0.000 2.786 167 T HA 0.556 4.905 4.350 -0.000 0.000 0.316 167 T C -0.366 174.498 174.700 0.274 0.000 1.503 167 T CA -0.005 62.187 62.100 0.153 0.000 1.019 167 T CB 1.038 70.022 68.868 0.193 0.000 1.415 167 T HN 0.697 nan 8.240 nan 0.000 0.496 168 G N 0.245 109.181 108.800 0.227 0.000 2.690 168 G HA2 0.406 4.366 3.960 -0.000 0.000 0.239 168 G HA3 0.406 4.366 3.960 -0.000 0.000 0.239 168 G C 1.319 176.316 174.900 0.162 0.000 1.233 168 G CA 0.155 45.412 45.100 0.261 0.000 0.847 168 G HN 1.118 nan 8.290 nan 0.000 0.588 169 G N -0.104 108.543 108.800 -0.256 0.000 2.448 169 G HA2 0.005 3.965 3.960 -0.000 0.000 0.219 169 G HA3 0.005 3.965 3.960 -0.000 0.000 0.219 169 G C 1.666 176.429 174.900 -0.228 0.000 1.127 169 G CA 1.271 45.984 45.100 -0.644 0.000 0.766 169 G HN 0.951 nan 8.290 nan 0.000 0.552 170 G N 0.435 109.155 108.800 -0.134 0.000 2.471 170 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.219 170 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.219 170 G C 1.501 176.383 174.900 -0.030 0.000 1.125 170 G CA 0.713 45.765 45.100 -0.079 0.000 0.775 170 G HN 0.463 nan 8.290 nan 0.000 0.548 171 N N 0.081 118.778 118.700 -0.003 0.000 2.250 171 N HA 0.013 4.753 4.740 -0.000 0.000 0.190 171 N C 0.981 176.544 175.510 0.088 0.000 1.116 171 N CA 0.236 53.279 53.050 -0.012 0.000 0.881 171 N CB 0.382 38.812 38.487 -0.096 0.000 1.006 171 N HN 0.173 nan 8.380 nan 0.000 0.491 172 D N 0.730 121.211 120.400 0.136 0.000 2.312 172 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 172 D C 0.724 177.154 176.300 0.217 0.000 0.964 172 D CA 0.781 54.932 54.000 0.252 0.000 0.877 172 D CB -0.024 40.995 40.800 0.366 0.000 0.924 172 D HN 0.335 nan 8.370 nan 0.000 0.515 173 G N 0.380 109.241 108.800 0.101 0.000 2.414 173 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.256 173 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.256 173 G C -0.066 174.784 174.900 -0.083 0.000 1.128 173 G CA -0.156 44.943 45.100 -0.002 0.000 0.944 173 G HN 0.343 nan 8.290 nan 0.000 0.500 174 W N 0.367 121.554 121.300 -0.188 0.000 2.493 174 W HA 0.169 4.829 4.660 -0.001 0.000 0.337 174 W C 1.056 177.437 176.519 -0.229 0.000 1.234 174 W CA 0.465 57.678 57.345 -0.220 0.000 1.286 174 W CB 0.447 29.814 29.460 -0.155 0.000 1.188 174 W HN 0.660 nan 8.180 nan 0.000 0.564 175 A N 4.371 126.558 122.820 -1.057 0.000 1.978 175 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 175 A C 1.678 178.970 177.584 -0.486 0.000 1.170 175 A CA 1.937 53.548 52.037 -0.710 0.000 0.636 175 A CB -0.406 18.154 19.000 -0.735 0.000 0.810 175 A HN 0.706 nan 8.150 nan 0.000 0.448 176 D N -0.207 119.945 120.400 -0.414 0.000 2.269 176 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 176 D C 0.615 176.994 176.300 0.130 0.000 0.963 176 D CA 0.710 54.745 54.000 0.057 0.000 0.864 176 D CB -0.431 40.581 40.800 0.354 0.000 0.936 176 D HN 0.615 nan 8.370 nan 0.000 0.505 177 N N 0.569 119.312 118.700 0.071 0.000 2.389 177 N HA 0.225 4.964 4.740 -0.000 0.000 0.237 177 N C 0.030 175.470 175.510 -0.117 0.000 1.148 177 N CA -0.529 52.569 53.050 0.079 0.000 0.854 177 N CB 0.650 39.231 38.487 0.157 0.000 1.115 177 N HN 0.016 nan 8.380 nan 0.000 0.492 178 A N 0.893 123.440 122.820 -0.456 0.000 2.425 178 A HA 0.363 4.683 4.320 -0.000 0.000 0.242 178 A C 0.448 177.792 177.584 -0.400 0.000 1.077 178 A CA -0.230 51.323 52.037 -0.807 0.000 0.781 178 A CB 0.335 18.120 19.000 -2.024 0.000 1.020 178 A HN 0.120 nan 8.150 nan 0.000 0.494 179 V N -0.414 119.372 119.914 -0.213 0.000 2.914 179 V HA 0.910 5.030 4.120 -0.000 0.000 0.314 179 V C 0.456 176.670 176.094 0.200 0.000 1.084 179 V CA -0.126 62.227 62.300 0.089 0.000 0.963 179 V CB 1.231 33.089 31.823 0.057 0.000 1.025 179 V HN 1.335 nan 8.190 nan 0.000 0.432 180 G N 1.023 109.991 108.800 0.280 0.000 2.537 180 G HA2 0.524 4.484 3.960 -0.000 0.000 0.297 180 G HA3 0.524 4.484 3.960 -0.000 0.000 0.297 180 G C -0.651 174.350 174.900 0.168 0.000 1.310 180 G CA -0.917 44.348 45.100 0.275 0.000 1.027 180 G HN 1.005 nan 8.290 nan 0.000 0.505 181 F N 0.480 120.458 119.950 0.047 0.000 2.623 181 F HA 0.328 4.855 4.527 -0.000 0.000 0.386 181 F C 1.434 177.246 175.800 0.019 0.000 1.068 181 F CA 1.647 59.649 58.000 0.005 0.000 1.265 181 F CB 0.463 39.456 39.000 -0.011 0.000 1.026 181 F HN 1.075 nan 8.300 nan 0.000 0.568 182 G N 3.567 111.778 108.800 -0.981 0.000 2.284 182 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.230 182 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.230 182 G C -0.070 174.638 174.900 -0.321 0.000 1.021 182 G CA 0.111 44.729 45.100 -0.804 0.000 0.619 182 G HN 0.690 nan 8.290 nan 0.000 0.510 183 D N 1.074 121.370 120.400 -0.173 0.000 2.294 183 D HA 0.725 5.364 4.640 -0.000 0.000 0.250 183 D C 0.537 176.818 176.300 -0.032 0.000 1.058 183 D CA 0.706 54.667 54.000 -0.066 0.000 0.950 183 D CB 1.625 42.424 40.800 -0.000 0.000 1.158 183 D HN 0.751 nan 8.370 nan 0.000 0.453 184 A N 0.560 123.378 122.820 -0.004 0.000 2.350 184 A HA 0.493 4.813 4.320 -0.000 0.000 0.318 184 A C -0.751 176.872 177.584 0.065 0.000 1.132 184 A CA -0.675 51.383 52.037 0.035 0.000 0.811 184 A CB 1.650 20.657 19.000 0.011 0.000 1.313 184 A HN 0.459 nan 8.150 nan 0.000 0.454 185 Q N 1.312 121.190 119.800 0.129 0.000 2.333 185 Q HA 0.610 4.950 4.340 -0.000 0.000 0.265 185 Q C -1.863 174.243 176.000 0.177 0.000 0.989 185 Q CA -0.400 55.493 55.803 0.151 0.000 0.842 185 Q CB 0.920 29.772 28.738 0.189 0.000 1.262 185 Q HN 0.700 nan 8.270 nan 0.000 0.451 186 L N 2.449 123.721 121.223 0.082 0.000 2.295 186 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 186 L C -0.444 176.422 176.870 -0.007 0.000 1.035 186 L CA -0.618 54.228 54.840 0.011 0.000 0.806 186 L CB 1.927 43.968 42.059 -0.030 0.000 1.214 186 L HN 0.584 nan 8.230 nan 0.000 0.426 187 S N 1.546 117.188 115.700 -0.097 0.000 2.538 187 S HA 0.368 4.838 4.470 -0.000 0.000 0.288 187 S C -0.861 173.447 174.600 -0.487 0.000 1.108 187 S CA -0.711 57.324 58.200 -0.275 0.000 0.971 187 S CB 2.250 65.300 63.200 -0.250 0.000 1.041 187 S HN 0.602 nan 8.310 nan 0.000 0.483 188 E N 1.678 121.604 120.200 -0.456 0.000 2.166 188 E HA 0.435 4.784 4.350 -0.000 0.000 0.275 188 E C -1.769 174.574 176.600 -0.428 0.000 0.941 188 E CA -0.567 55.628 56.400 -0.342 0.000 0.784 188 E CB 0.690 30.313 29.700 -0.130 0.000 1.115 188 E HN 0.593 nan 8.360 nan 0.000 0.399 189 Y N 4.718 125.073 120.300 0.091 0.000 2.526 189 Y HA 0.284 4.834 4.550 -0.000 0.000 0.328 189 Y C -2.038 173.951 175.900 0.149 0.000 0.995 189 Y CA -2.522 55.652 58.100 0.124 0.000 1.304 189 Y CB 1.640 40.212 38.460 0.186 0.000 1.096 189 Y HN 0.575 nan 8.280 nan 0.000 0.499 190 P HA -0.123 nan 4.420 nan 0.000 0.220 190 P C -0.349 177.090 177.300 0.232 0.000 1.148 190 P CA 1.361 64.576 63.100 0.191 0.000 0.803 190 P CB 0.183 31.969 31.700 0.143 0.000 0.782 191 N N -2.607 116.292 118.700 0.331 0.000 2.741 191 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 191 N C -0.440 175.231 175.510 0.269 0.000 1.115 191 N CA 0.308 53.581 53.050 0.370 0.000 0.724 191 N CB -1.658 37.012 38.487 0.305 0.000 1.090 191 N HN 0.186 nan 8.380 nan 0.000 0.558 192 D N 0.715 121.261 120.400 0.244 0.000 2.551 192 D HA 0.073 4.713 4.640 -0.000 0.000 0.223 192 D C -0.663 175.771 176.300 0.223 0.000 1.144 192 D CA 0.591 54.696 54.000 0.174 0.000 1.025 192 D CB -0.121 40.749 40.800 0.117 0.000 1.085 192 D HN 0.349 nan 8.370 nan 0.000 0.506 193 H N 1.487 120.613 119.070 0.094 0.000 3.079 193 H HA 0.137 4.692 4.556 -0.000 0.000 0.356 193 H C -0.716 174.598 175.328 -0.023 0.000 1.221 193 H CA -0.581 55.512 56.048 0.074 0.000 1.185 193 H CB 1.521 31.429 29.762 0.244 0.000 1.882 193 H HN 0.346 nan 8.280 nan 0.000 0.543 194 Q N 2.004 121.698 119.800 -0.176 0.000 2.492 194 Q HA 0.499 4.839 4.340 -0.000 0.000 0.238 194 Q C -0.174 175.864 176.000 0.063 0.000 1.045 194 Q CA -0.349 55.417 55.803 -0.062 0.000 0.934 194 Q CB 0.696 29.341 28.738 -0.155 0.000 1.276 194 Q HN 0.556 nan 8.270 nan 0.000 0.521 195 A N 1.022 123.838 122.820 -0.006 0.000 2.540 195 A HA 0.347 4.667 4.320 -0.000 0.000 0.239 195 A C 0.152 177.702 177.584 -0.057 0.000 1.061 195 A CA 0.917 52.924 52.037 -0.050 0.000 0.758 195 A CB 0.228 19.207 19.000 -0.035 0.000 0.991 195 A HN 0.735 nan 8.150 nan 0.000 0.502 196 T N 0.361 114.808 114.554 -0.179 0.000 2.677 196 T HA 0.373 4.723 4.350 -0.000 0.000 0.305 196 T C -1.549 173.008 174.700 -0.238 0.000 1.569 196 T CA -0.514 61.476 62.100 -0.184 0.000 0.984 196 T CB 1.061 69.826 68.868 -0.172 0.000 1.629 196 T HN 0.835 nan 8.240 nan 0.000 0.494 197 Q N 1.646 121.376 119.800 -0.117 0.000 2.368 197 Q HA 0.403 4.743 4.340 -0.000 0.000 0.256 197 Q C -1.102 174.975 176.000 0.129 0.000 0.980 197 Q CA -0.708 55.090 55.803 -0.008 0.000 0.887 197 Q CB 0.547 29.314 28.738 0.048 0.000 1.221 197 Q HN 0.493 nan 8.270 nan 0.000 0.458 198 W N 3.897 125.283 121.300 0.145 0.000 2.353 198 W HA 0.539 5.199 4.660 -0.001 0.000 0.377 198 W C -0.150 176.541 176.519 0.285 0.000 1.375 198 W CA -0.819 56.603 57.345 0.128 0.000 1.503 198 W CB 0.793 30.209 29.460 -0.073 0.000 1.345 198 W HN 0.619 nan 8.180 nan 0.000 0.683 199 W N 1.683 123.104 121.300 0.201 0.000 3.363 199 W HA 0.465 5.125 4.660 -0.000 0.000 0.306 199 W C -2.295 174.274 176.519 0.083 0.000 1.253 199 W CA -1.969 55.447 57.345 0.118 0.000 1.195 199 W CB -0.328 29.145 29.460 0.021 0.000 1.366 199 W HN 0.548 nan 8.180 nan 0.000 0.551 200 Y N 0.742 120.991 120.300 -0.085 0.000 2.524 200 Y HA 0.825 5.375 4.550 -0.000 0.000 0.344 200 Y C -0.675 175.070 175.900 -0.258 0.000 1.012 200 Y CA -1.153 56.672 58.100 -0.458 0.000 1.068 200 Y CB 1.712 39.900 38.460 -0.453 0.000 1.249 200 Y HN 0.724 nan 8.280 nan 0.000 0.468 201 H N -1.572 117.353 119.070 -0.241 0.000 2.987 201 H HA 0.361 4.917 4.556 -0.000 0.000 0.316 201 H C -1.956 173.394 175.328 0.037 0.000 1.380 201 H CA -1.313 54.725 56.048 -0.016 0.000 1.160 201 H CB 0.861 30.523 29.762 -0.167 0.000 1.865 201 H HN 0.760 nan 8.280 nan 0.000 0.521 202 D N -0.608 119.967 120.400 0.290 0.000 2.423 202 D HA 0.038 4.678 4.640 -0.000 0.000 0.238 202 D C 0.068 176.468 176.300 0.167 0.000 1.142 202 D CA 0.437 54.533 54.000 0.161 0.000 0.884 202 D CB 0.447 41.333 40.800 0.144 0.000 1.199 202 D HN 0.688 nan 8.370 nan 0.000 0.438 203 H N 1.842 120.867 119.070 -0.074 0.000 2.865 203 H HA 0.315 4.871 4.556 -0.000 0.000 0.247 203 H C -0.884 174.283 175.328 -0.269 0.000 1.181 203 H CA -0.295 55.662 56.048 -0.152 0.000 0.975 203 H CB 0.103 29.737 29.762 -0.214 0.000 1.899 203 H HN 0.447 nan 8.280 nan 0.000 0.651 204 A N 1.607 124.349 122.820 -0.130 0.000 2.548 204 A HA 0.111 4.431 4.320 -0.000 0.000 0.247 204 A C 0.783 178.268 177.584 -0.165 0.000 1.067 204 A CA -0.274 51.594 52.037 -0.281 0.000 0.757 204 A CB -0.224 18.600 19.000 -0.293 0.000 0.996 204 A HN 0.438 nan 8.150 nan 0.000 0.504 205 M N 3.579 123.070 119.600 -0.181 0.000 2.336 205 M HA -0.013 4.467 4.480 -0.000 0.000 0.371 205 M C 0.719 177.059 176.300 0.066 0.000 1.542 205 M CA 1.092 56.341 55.300 -0.085 0.000 0.959 205 M CB -1.076 31.526 32.600 0.003 0.000 2.033 205 M HN 0.870 nan 8.290 nan 0.000 0.472 206 N N 2.493 121.153 118.700 -0.066 0.000 2.967 206 N HA -0.257 4.483 4.740 -0.000 0.000 0.218 206 N C 0.377 175.880 175.510 -0.012 0.000 0.870 206 N CA 1.935 54.966 53.050 -0.032 0.000 1.030 206 N CB -1.671 36.852 38.487 0.060 0.000 1.027 206 N HN 0.877 nan 8.380 nan 0.000 0.603 207 I N -4.419 116.176 120.570 0.042 0.000 4.310 207 I HA 0.303 4.473 4.170 -0.000 0.000 0.328 207 I C 1.166 177.298 176.117 0.026 0.000 1.406 207 I CA -0.145 61.245 61.300 0.150 0.000 1.174 207 I CB 0.398 38.630 38.000 0.387 0.000 1.279 207 I HN -0.224 nan 8.210 nan 0.000 0.471 208 T N 2.619 117.107 114.554 -0.109 0.000 2.685 208 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 208 T C 1.974 176.547 174.700 -0.211 0.000 1.034 208 T CA 2.554 64.565 62.100 -0.147 0.000 1.149 208 T CB -0.440 68.274 68.868 -0.257 0.000 0.860 208 T HN 0.609 nan 8.240 nan 0.000 0.449 209 R N -0.208 120.047 120.500 -0.409 0.000 2.193 209 R HA -0.096 4.244 4.340 -0.000 0.000 0.229 209 R C 1.907 177.898 176.300 -0.516 0.000 1.110 209 R CA 1.276 57.062 56.100 -0.524 0.000 0.988 209 R CB -0.380 29.453 30.300 -0.779 0.000 0.871 209 R HN 0.444 nan 8.270 nan 0.000 0.458 210 W N 1.162 122.367 121.300 -0.159 0.000 2.580 210 W HA 0.179 4.839 4.660 -0.001 0.000 0.287 210 W C 1.632 178.139 176.519 -0.020 0.000 1.175 210 W CA -0.226 57.054 57.345 -0.108 0.000 1.409 210 W CB -0.940 28.496 29.460 -0.041 0.000 1.101 210 W HN 0.104 nan 8.180 nan 0.000 0.558 211 N N 0.937 119.801 118.700 0.275 0.000 2.094 211 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 211 N C 1.738 177.315 175.510 0.111 0.000 1.023 211 N CA 1.745 54.921 53.050 0.210 0.000 0.857 211 N CB -0.985 37.651 38.487 0.249 0.000 1.013 211 N HN -0.113 nan 8.380 nan 0.000 0.426 212 V N 1.187 121.138 119.914 0.061 0.000 2.427 212 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 212 V C 2.233 178.330 176.094 0.005 0.000 1.051 212 V CA 1.293 63.632 62.300 0.065 0.000 1.048 212 V CB -0.444 31.375 31.823 -0.007 0.000 0.666 212 V HN 0.345 nan 8.190 nan 0.000 0.456 213 M N 0.444 120.003 119.600 -0.068 0.000 2.319 213 M HA -0.018 4.461 4.480 -0.000 0.000 0.265 213 M C 2.006 178.246 176.300 -0.100 0.000 1.068 213 M CA 1.656 56.882 55.300 -0.123 0.000 1.118 213 M CB -0.236 32.261 32.600 -0.173 0.000 1.395 213 M HN 0.280 nan 8.290 nan 0.000 0.435 214 A N -0.026 122.716 122.820 -0.130 0.000 2.070 214 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 214 A C 1.866 179.389 177.584 -0.101 0.000 1.159 214 A CA 1.519 53.391 52.037 -0.275 0.000 0.656 214 A CB -0.807 17.861 19.000 -0.552 0.000 0.800 214 A HN 0.805 nan 8.150 nan 0.000 0.453 215 G N -2.494 106.362 108.800 0.094 0.000 2.613 215 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.199 215 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.199 215 G C 0.118 175.168 174.900 0.250 0.000 0.991 215 G CA -0.109 45.115 45.100 0.206 0.000 0.756 215 G HN 0.307 nan 8.290 nan 0.000 0.515 216 L N 2.254 123.629 121.223 0.254 0.000 2.399 216 L HA 0.564 4.903 4.340 -0.000 0.000 0.257 216 L C 0.038 177.247 176.870 0.566 0.000 1.236 216 L CA -0.743 54.171 54.840 0.124 0.000 1.144 216 L CB -0.686 41.356 42.059 -0.029 0.000 1.379 216 L HN 0.439 nan 8.230 nan 0.000 0.414 217 Y N -0.680 119.848 120.300 0.379 0.000 2.558 217 Y HA 0.853 5.402 4.550 -0.000 0.000 0.333 217 Y C -0.338 175.585 175.900 0.039 0.000 1.125 217 Y CA -1.040 57.223 58.100 0.271 0.000 1.039 217 Y CB 1.391 40.061 38.460 0.350 0.000 1.331 217 Y HN 0.146 nan 8.280 nan 0.000 0.456 218 G N 0.495 109.061 108.800 -0.390 0.000 2.559 218 G HA2 0.497 4.457 3.960 -0.000 0.000 0.291 218 G HA3 0.497 4.457 3.960 -0.000 0.000 0.291 218 G C -1.928 172.734 174.900 -0.397 0.000 1.424 218 G CA -0.513 44.222 45.100 -0.608 0.000 0.786 218 G HN 0.790 nan 8.290 nan 0.000 0.485 219 T N -1.585 112.988 114.554 0.031 0.000 2.926 219 T HA 0.715 5.064 4.350 -0.000 0.000 0.289 219 T C -1.983 173.012 174.700 0.492 0.000 1.054 219 T CA -0.530 61.750 62.100 0.301 0.000 1.015 219 T CB 1.554 70.556 68.868 0.224 0.000 1.167 219 T HN 0.952 nan 8.240 nan 0.000 0.526 220 Y N 2.310 122.785 120.300 0.291 0.000 2.298 220 Y HA 0.541 5.091 4.550 -0.000 0.000 0.322 220 Y C -1.924 174.030 175.900 0.089 0.000 1.138 220 Y CA -0.928 57.311 58.100 0.231 0.000 1.127 220 Y CB 0.748 39.396 38.460 0.313 0.000 1.178 220 Y HN 0.559 nan 8.280 nan 0.000 0.428 221 L N 6.756 127.990 121.223 0.018 0.000 2.307 221 L HA 0.736 5.075 4.340 -0.000 0.000 0.284 221 L C -0.733 176.040 176.870 -0.162 0.000 1.023 221 L CA -1.344 53.465 54.840 -0.052 0.000 0.810 221 L CB 1.675 43.709 42.059 -0.041 0.000 1.231 221 L HN 0.339 nan 8.230 nan 0.000 0.423 222 V N 3.548 123.335 119.914 -0.211 0.000 2.435 222 V HA 0.525 4.645 4.120 -0.000 0.000 0.290 222 V C 0.002 176.012 176.094 -0.140 0.000 1.030 222 V CA -0.807 61.362 62.300 -0.218 0.000 0.881 222 V CB 1.631 33.232 31.823 -0.370 0.000 0.983 222 V HN 0.646 nan 8.190 nan 0.000 0.445 223 R N 3.359 123.801 120.500 -0.097 0.000 2.604 223 R HA 0.722 5.061 4.340 -0.000 0.000 0.287 223 R C -0.958 175.316 176.300 -0.044 0.000 0.970 223 R CA -0.683 55.379 56.100 -0.063 0.000 0.946 223 R CB 1.990 32.257 30.300 -0.055 0.000 1.127 223 R HN 0.995 nan 8.270 nan 0.000 0.473 224 D N -1.336 119.045 120.400 -0.031 0.000 2.643 224 D HA 0.175 4.815 4.640 -0.000 0.000 0.283 224 D C -0.306 175.985 176.300 -0.014 0.000 1.242 224 D CA -0.581 53.407 54.000 -0.020 0.000 0.863 224 D CB 0.455 41.244 40.800 -0.017 0.000 1.382 224 D HN 0.123 nan 8.370 nan 0.000 0.444 225 D N -0.408 119.986 120.400 -0.010 0.000 2.224 225 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 225 D C 1.356 177.653 176.300 -0.006 0.000 0.965 225 D CA 0.906 54.901 54.000 -0.008 0.000 0.852 225 D CB 0.173 40.969 40.800 -0.006 0.000 0.947 225 D HN 0.661 nan 8.370 nan 0.000 0.494 226 E N 0.880 121.078 120.200 -0.003 0.000 2.047 226 E HA -0.182 4.167 4.350 -0.000 0.000 0.191 226 E C 1.902 178.504 176.600 0.004 0.000 0.987 226 E CA 0.736 57.138 56.400 0.003 0.000 0.799 226 E CB 0.127 29.834 29.700 0.012 0.000 0.752 226 E HN 0.231 nan 8.360 nan 0.000 0.449 227 E N 0.228 120.429 120.200 0.002 0.000 2.077 227 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 227 E C 1.586 178.184 176.600 -0.003 0.000 0.989 227 E CA 1.523 57.924 56.400 0.001 0.000 0.800 227 E CB 0.007 29.704 29.700 -0.006 0.000 0.746 227 E HN 0.250 nan 8.360 nan 0.000 0.452 228 D N 0.309 120.704 120.400 -0.009 0.000 2.133 228 D HA -0.176 4.464 4.640 -0.000 0.000 0.195 228 D C 1.645 177.942 176.300 -0.006 0.000 0.997 228 D CA 1.447 55.441 54.000 -0.010 0.000 0.840 228 D CB -0.321 40.472 40.800 -0.012 0.000 0.947 228 D HN 0.300 nan 8.370 nan 0.000 0.452 229 A N -0.085 122.732 122.820 -0.005 0.000 2.239 229 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 229 A C 2.089 179.669 177.584 -0.008 0.000 1.171 229 A CA 0.276 52.308 52.037 -0.008 0.000 0.768 229 A CB -0.490 18.504 19.000 -0.010 0.000 0.790 229 A HN 0.214 nan 8.150 nan 0.000 0.478 230 L N -1.165 120.060 121.223 0.004 0.000 2.492 230 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 230 L C 1.650 178.557 176.870 0.061 0.000 1.132 230 L CA 0.525 55.375 54.840 0.017 0.000 0.850 230 L CB -0.227 41.850 42.059 0.030 0.000 0.966 230 L HN 0.531 nan 8.230 nan 0.000 0.454 231 G N 1.344 110.169 108.800 0.041 0.000 2.356 231 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.296 231 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.296 231 G C 0.192 175.144 174.900 0.087 0.000 1.022 231 G CA -0.016 45.117 45.100 0.056 0.000 0.961 231 G HN 0.243 nan 8.290 nan 0.000 0.510 232 L N -0.187 121.041 121.223 0.007 0.000 2.464 232 L HA 0.303 4.643 4.340 -0.000 0.000 0.264 232 L C -1.209 175.506 176.870 -0.259 0.000 1.199 232 L CA -1.908 52.833 54.840 -0.166 0.000 0.818 232 L CB 0.094 42.088 42.059 -0.108 0.000 1.102 232 L HN -0.017 nan 8.230 nan 0.000 0.473 233 P HA 0.008 nan 4.420 nan 0.000 0.265 233 P C -0.774 176.425 177.300 -0.169 0.000 1.187 233 P CA 0.166 63.089 63.100 -0.295 0.000 0.766 233 P CB 0.650 32.166 31.700 -0.307 0.000 0.820 234 S N 0.655 116.275 115.700 -0.132 0.000 2.794 234 S HA 0.819 5.288 4.470 -0.000 0.000 0.299 234 S C 0.452 175.012 174.600 -0.066 0.000 1.179 234 S CA -0.161 57.991 58.200 -0.079 0.000 0.838 234 S CB 1.226 64.390 63.200 -0.060 0.000 1.206 234 S HN 0.798 nan 8.310 nan 0.000 0.523 235 G N 1.361 110.140 108.800 -0.035 0.000 2.574 235 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.286 235 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.286 235 G C 0.238 175.135 174.900 -0.004 0.000 1.212 235 G CA 0.801 45.889 45.100 -0.019 0.000 0.979 235 G HN 0.811 nan 8.290 nan 0.000 0.557 236 D N 0.851 121.253 120.400 0.003 0.000 2.254 236 D HA -0.119 4.520 4.640 -0.000 0.000 0.201 236 D C 2.392 178.719 176.300 0.045 0.000 0.998 236 D CA 1.488 55.512 54.000 0.041 0.000 0.885 236 D CB -0.080 40.743 40.800 0.039 0.000 0.915 236 D HN 0.453 nan 8.370 nan 0.000 0.460 237 R N 0.411 120.850 120.500 -0.100 0.000 2.334 237 R HA 0.165 4.505 4.340 -0.000 0.000 0.216 237 R C 0.485 176.739 176.300 -0.077 0.000 0.905 237 R CA -0.070 55.829 56.100 -0.335 0.000 1.064 237 R CB 0.522 30.451 30.300 -0.619 0.000 1.046 237 R HN 0.269 nan 8.270 nan 0.000 0.508 238 E N 1.434 121.645 120.200 0.018 0.000 2.158 238 E HA 0.398 4.747 4.350 -0.000 0.000 0.271 238 E C -1.009 175.661 176.600 0.117 0.000 0.911 238 E CA -0.401 56.039 56.400 0.066 0.000 0.767 238 E CB 1.027 30.737 29.700 0.017 0.000 1.120 238 E HN 0.017 nan 8.360 nan 0.000 0.405 239 I N 6.032 126.697 120.570 0.159 0.000 2.468 239 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 239 I C -2.405 173.785 176.117 0.121 0.000 1.039 239 I CA -2.539 58.853 61.300 0.152 0.000 1.074 239 I CB 1.959 40.086 38.000 0.212 0.000 1.228 239 I HN 0.357 nan 8.210 nan 0.000 0.436 240 P HA 0.314 nan 4.420 nan 0.000 0.276 240 P C -1.013 176.330 177.300 0.071 0.000 1.230 240 P CA -0.155 62.991 63.100 0.078 0.000 0.776 240 P CB 0.664 32.406 31.700 0.069 0.000 0.888 241 L N 3.896 125.157 121.223 0.062 0.000 2.345 241 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 241 L C -0.652 176.222 176.870 0.006 0.000 0.999 241 L CA -0.691 54.172 54.840 0.038 0.000 0.849 241 L CB 0.884 42.971 42.059 0.047 0.000 1.220 241 L HN 0.149 nan 8.230 nan 0.000 0.422 242 L N 5.453 126.689 121.223 0.022 0.000 2.255 242 L HA 0.475 4.815 4.340 -0.000 0.000 0.289 242 L C 0.158 177.043 176.870 0.025 0.000 1.046 242 L CA 0.012 54.873 54.840 0.034 0.000 0.816 242 L CB 0.751 42.912 42.059 0.170 0.000 1.197 242 L HN 0.456 nan 8.230 nan 0.000 0.427 243 I N 0.632 121.145 120.570 -0.096 0.000 2.525 243 I HA 1.021 5.191 4.170 -0.000 0.000 0.301 243 I C -0.298 175.724 176.117 -0.159 0.000 0.992 243 I CA -0.710 60.496 61.300 -0.156 0.000 1.162 243 I CB 2.073 39.868 38.000 -0.341 0.000 1.332 243 I HN 0.607 nan 8.210 nan 0.000 0.458 244 A N 3.910 126.682 122.820 -0.079 0.000 2.547 244 A HA 0.451 4.771 4.320 -0.000 0.000 0.298 244 A C -1.412 176.254 177.584 0.137 0.000 1.062 244 A CA -0.745 51.288 52.037 -0.007 0.000 0.748 244 A CB 1.084 19.974 19.000 -0.183 0.000 1.288 244 A HN 0.884 nan 8.150 nan 0.000 0.396 245 D N 1.895 122.469 120.400 0.292 0.000 2.339 245 D HA 0.596 5.235 4.640 -0.000 0.000 0.245 245 D C -0.150 176.351 176.300 0.336 0.000 1.115 245 D CA -0.160 54.039 54.000 0.332 0.000 0.917 245 D CB 0.791 41.785 40.800 0.323 0.000 1.192 245 D HN 0.355 nan 8.370 nan 0.000 0.428 246 R N 1.271 121.970 120.500 0.332 0.000 2.771 246 R HA 0.492 4.832 4.340 -0.000 0.000 0.274 246 R C -0.673 175.918 176.300 0.485 0.000 0.987 246 R CA -0.886 55.424 56.100 0.350 0.000 0.908 246 R CB 1.441 31.842 30.300 0.168 0.000 1.213 246 R HN 0.533 nan 8.270 nan 0.000 0.468 247 N N 0.814 119.823 118.700 0.515 0.000 2.362 247 N HA 0.590 5.330 4.740 -0.000 0.000 0.299 247 N C -1.188 174.493 175.510 0.287 0.000 1.170 247 N CA -0.536 52.779 53.050 0.442 0.000 0.825 247 N CB 1.381 40.109 38.487 0.401 0.000 1.299 247 N HN 0.381 nan 8.380 nan 0.000 0.502 248 L N 0.830 122.220 121.223 0.279 0.000 2.408 248 L HA 0.390 4.729 4.340 -0.000 0.000 0.268 248 L C -0.115 176.822 176.870 0.112 0.000 0.986 248 L CA -1.001 53.907 54.840 0.113 0.000 0.820 248 L CB 1.983 44.016 42.059 -0.044 0.000 1.303 248 L HN 0.438 nan 8.230 nan 0.000 0.411 249 D N 1.119 121.558 120.400 0.065 0.000 2.371 249 D HA 0.371 5.011 4.640 -0.000 0.000 0.242 249 D C -0.389 175.938 176.300 0.045 0.000 1.218 249 D CA 0.197 54.233 54.000 0.059 0.000 0.945 249 D CB 1.436 42.261 40.800 0.043 0.000 1.137 249 D HN 0.622 nan 8.370 nan 0.000 0.464 250 T N -1.211 113.370 114.554 0.045 0.000 2.906 250 T HA 0.448 4.797 4.350 -0.000 0.000 0.295 250 T C -0.294 174.423 174.700 0.029 0.000 1.075 250 T CA -1.053 61.069 62.100 0.036 0.000 1.005 250 T CB 1.606 70.501 68.868 0.045 0.000 1.136 250 T HN 0.124 nan 8.240 nan 0.000 0.498 251 D N 0.663 121.077 120.400 0.022 0.000 2.414 251 D HA 0.201 4.841 4.640 -0.000 0.000 0.251 251 D C 1.351 177.664 176.300 0.021 0.000 1.252 251 D CA -0.547 53.465 54.000 0.020 0.000 0.999 251 D CB 0.734 41.543 40.800 0.015 0.000 1.093 251 D HN 0.745 nan 8.370 nan 0.000 0.515 252 E N -0.144 120.067 120.200 0.018 0.000 2.160 252 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 252 E C 0.873 177.483 176.600 0.017 0.000 0.991 252 E CA 1.025 57.435 56.400 0.017 0.000 0.810 252 E CB 0.075 29.783 29.700 0.014 0.000 0.742 252 E HN 0.401 nan 8.360 nan 0.000 0.466 253 D N -1.067 119.342 120.400 0.015 0.000 2.340 253 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 253 D C 1.219 177.531 176.300 0.019 0.000 1.039 253 D CA 0.744 54.754 54.000 0.015 0.000 0.866 253 D CB 0.245 41.053 40.800 0.012 0.000 0.913 253 D HN 0.207 nan 8.370 nan 0.000 0.523 254 G N 0.287 109.101 108.800 0.023 0.000 2.176 254 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.253 254 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.253 254 G C 0.321 175.239 174.900 0.030 0.000 0.979 254 G CA -0.160 44.958 45.100 0.030 0.000 0.641 254 G HN 0.403 nan 8.290 nan 0.000 0.530 255 R N -0.113 120.399 120.500 0.020 0.000 2.643 255 R HA 0.386 4.726 4.340 -0.000 0.000 0.270 255 R C 0.840 177.144 176.300 0.008 0.000 1.061 255 R CA -0.336 55.772 56.100 0.012 0.000 1.107 255 R CB 0.481 30.785 30.300 0.005 0.000 0.999 255 R HN 0.293 nan 8.270 nan 0.000 0.460 256 L N 3.474 124.691 121.223 -0.010 0.000 2.410 256 L HA -0.028 4.312 4.340 -0.000 0.000 0.273 256 L C 1.201 178.051 176.870 -0.033 0.000 1.144 256 L CA 0.089 54.908 54.840 -0.034 0.000 0.863 256 L CB 0.307 42.305 42.059 -0.101 0.000 1.140 256 L HN 0.738 nan 8.230 nan 0.000 0.463 257 N N 1.113 119.802 118.700 -0.019 0.000 2.184 257 N HA 0.106 4.846 4.740 -0.000 0.000 0.206 257 N C 0.981 176.492 175.510 0.001 0.000 1.151 257 N CA 0.341 53.389 53.050 -0.003 0.000 0.878 257 N CB 0.983 39.478 38.487 0.014 0.000 1.014 257 N HN 0.731 nan 8.380 nan 0.000 0.512 258 G N 0.451 109.231 108.800 -0.032 0.000 2.184 258 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.264 258 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.264 258 G C -0.120 174.767 174.900 -0.021 0.000 0.975 258 G CA 0.116 45.193 45.100 -0.040 0.000 0.642 258 G HN 0.463 nan 8.290 nan 0.000 0.536 259 R N 0.230 120.727 120.500 -0.005 0.000 2.401 259 R HA 0.400 4.739 4.340 -0.000 0.000 0.299 259 R C 0.905 177.189 176.300 -0.027 0.000 1.064 259 R CA -0.406 55.683 56.100 -0.018 0.000 1.000 259 R CB 0.524 30.823 30.300 -0.001 0.000 0.973 259 R HN 0.309 nan 8.270 nan 0.000 0.438 260 L N 4.119 125.305 121.223 -0.062 0.000 2.499 260 L HA 0.014 4.354 4.340 -0.000 0.000 0.273 260 L C -0.069 176.802 176.870 0.001 0.000 1.195 260 L CA 0.076 54.888 54.840 -0.046 0.000 0.882 260 L CB 0.094 42.087 42.059 -0.111 0.000 1.133 260 L HN 0.377 nan 8.230 nan 0.000 0.483 261 L N 4.415 125.677 121.223 0.064 0.000 2.372 261 L HA 0.292 4.631 4.340 -0.000 0.000 0.273 261 L C -0.195 176.793 176.870 0.197 0.000 0.989 261 L CA -0.163 54.752 54.840 0.126 0.000 0.841 261 L CB 1.081 43.225 42.059 0.143 0.000 1.225 261 L HN 0.434 nan 8.230 nan 0.000 0.414 262 H N 5.422 124.549 119.070 0.096 0.000 2.969 262 H HA 0.224 4.780 4.556 -0.000 0.000 0.269 262 H C -0.962 174.546 175.328 0.301 0.000 1.223 262 H CA -0.155 55.974 56.048 0.134 0.000 1.400 262 H CB 0.598 30.488 29.762 0.213 0.000 1.500 262 H HN 0.600 nan 8.280 nan 0.000 0.486 263 K N 4.707 125.284 120.400 0.295 0.000 2.367 263 K HA 0.187 4.507 4.320 -0.000 0.000 0.263 263 K C -0.473 176.175 176.600 0.081 0.000 1.000 263 K CA -0.606 55.793 56.287 0.187 0.000 0.891 263 K CB 0.723 33.316 32.500 0.155 0.000 1.117 263 K HN 0.641 nan 8.250 nan 0.000 0.443 264 T N -0.856 113.752 114.554 0.091 0.000 2.948 264 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 264 T C -0.214 174.525 174.700 0.066 0.000 1.019 264 T CA -0.821 61.309 62.100 0.051 0.000 1.013 264 T CB 1.590 70.513 68.868 0.092 0.000 1.117 264 T HN 0.124 nan 8.240 nan 0.000 0.533 265 V N 1.899 121.847 119.914 0.058 0.000 2.417 265 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 265 V C 0.176 176.308 176.094 0.062 0.000 1.024 265 V CA -0.981 61.350 62.300 0.052 0.000 0.861 265 V CB 1.131 32.974 31.823 0.033 0.000 0.985 265 V HN 0.841 nan 8.190 nan 0.000 0.436 266 I N 5.017 125.622 120.570 0.059 0.000 2.517 266 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 266 I C 1.094 177.236 176.117 0.043 0.000 1.106 266 I CA 0.313 61.647 61.300 0.057 0.000 1.402 266 I CB 1.265 39.296 38.000 0.052 0.000 1.399 266 I HN 0.648 nan 8.210 nan 0.000 0.535 267 V N 2.242 122.182 119.914 0.043 0.000 3.605 267 V HA 0.234 4.354 4.120 -0.000 0.000 0.284 267 V C 0.306 176.413 176.094 0.021 0.000 1.386 267 V CA 0.058 62.376 62.300 0.030 0.000 1.053 267 V CB -0.199 31.645 31.823 0.034 0.000 0.857 267 V HN 0.867 nan 8.190 nan 0.000 0.436 268 Q N 0.522 120.334 119.800 0.021 0.000 2.406 268 Q HA 0.282 4.622 4.340 -0.000 0.000 0.244 268 Q C 0.386 176.397 176.000 0.019 0.000 0.884 268 Q CA -0.354 55.456 55.803 0.013 0.000 0.813 268 Q CB 2.047 30.785 28.738 -0.000 0.000 1.368 268 Q HN 0.214 nan 8.270 nan 0.000 0.439 269 Q N 1.508 121.321 119.800 0.021 0.000 2.135 269 Q HA 0.005 4.345 4.340 -0.000 0.000 0.204 269 Q C -0.266 175.750 176.000 0.026 0.000 0.981 269 Q CA 1.663 57.481 55.803 0.026 0.000 0.856 269 Q CB 0.325 29.076 28.738 0.022 0.000 0.902 269 Q HN 0.379 nan 8.270 nan 0.000 0.425 270 S N -0.110 115.602 115.700 0.021 0.000 2.750 270 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 270 S C -1.466 173.143 174.600 0.016 0.000 1.165 270 S CA -0.872 57.341 58.200 0.021 0.000 1.047 270 S CB 0.267 63.480 63.200 0.021 0.000 1.056 270 S HN 0.454 nan 8.310 nan 0.000 0.481 271 N N 5.231 123.940 118.700 0.014 0.000 2.470 271 N HA 0.336 5.076 4.740 -0.000 0.000 0.268 271 N C -1.570 173.949 175.510 0.015 0.000 1.136 271 N CA -1.574 51.480 53.050 0.005 0.000 0.961 271 N CB 1.074 39.556 38.487 -0.009 0.000 1.067 271 N HN 0.227 nan 8.380 nan 0.000 0.468 272 P HA -0.217 nan 4.420 nan 0.000 0.218 272 P C 0.206 177.521 177.300 0.024 0.000 1.152 272 P CA 1.603 64.713 63.100 0.018 0.000 0.857 272 P CB 0.219 31.929 31.700 0.017 0.000 0.787 273 E N -1.667 118.550 120.200 0.029 0.000 2.276 273 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 273 E C 0.756 177.382 176.600 0.043 0.000 0.983 273 E CA 0.734 57.157 56.400 0.038 0.000 0.861 273 E CB 0.146 29.875 29.700 0.049 0.000 0.817 273 E HN 0.353 nan 8.360 nan 0.000 0.485 274 T N -4.296 110.286 114.554 0.046 0.000 2.930 274 T HA 0.445 4.794 4.350 -0.000 0.000 0.290 274 T C 1.103 175.829 174.700 0.043 0.000 1.052 274 T CA -0.437 61.694 62.100 0.052 0.000 1.017 274 T CB 1.647 70.560 68.868 0.075 0.000 1.137 274 T HN -0.046 nan 8.240 nan 0.000 0.511 275 G N -0.041 108.784 108.800 0.043 0.000 2.559 275 G HA2 0.062 4.022 3.960 -0.000 0.000 0.216 275 G HA3 0.062 4.022 3.960 -0.000 0.000 0.216 275 G C 0.492 175.416 174.900 0.041 0.000 1.126 275 G CA 0.311 45.433 45.100 0.037 0.000 0.778 275 G HN 0.667 nan 8.290 nan 0.000 0.543 276 K N 0.956 121.388 120.400 0.053 0.000 2.098 276 K HA 0.435 4.754 4.320 -0.000 0.000 0.261 276 K C -2.212 174.426 176.600 0.063 0.000 0.987 276 K CA -2.384 53.943 56.287 0.067 0.000 0.916 276 K CB 1.626 34.182 32.500 0.094 0.000 1.039 276 K HN -0.093 nan 8.250 nan 0.000 0.455 277 P HA 0.160 nan 4.420 nan 0.000 0.276 277 P C -1.011 176.335 177.300 0.078 0.000 1.252 277 P CA -0.472 62.665 63.100 0.063 0.000 0.802 277 P CB 0.899 32.639 31.700 0.067 0.000 1.035 278 V N 1.030 120.976 119.914 0.053 0.000 2.483 278 V HA 0.399 4.519 4.120 -0.000 0.000 0.297 278 V C 0.300 176.441 176.094 0.079 0.000 1.027 278 V CA -0.321 62.004 62.300 0.042 0.000 0.855 278 V CB 1.468 33.247 31.823 -0.074 0.000 0.995 278 V HN 0.810 nan 8.190 nan 0.000 0.424 279 S N 5.395 121.174 115.700 0.132 0.000 2.600 279 S HA 0.837 5.307 4.470 -0.000 0.000 0.300 279 S C -0.340 174.346 174.600 0.143 0.000 1.087 279 S CA -0.839 57.436 58.200 0.126 0.000 0.965 279 S CB 1.983 65.266 63.200 0.138 0.000 1.089 279 S HN 0.762 nan 8.310 nan 0.000 0.496 280 I N -1.554 119.090 120.570 0.122 0.000 3.021 280 I HA 0.592 4.761 4.170 -0.000 0.000 0.303 280 I C -2.694 173.453 176.117 0.051 0.000 1.044 280 I CA -2.631 58.752 61.300 0.138 0.000 1.266 280 I CB -0.240 37.864 38.000 0.172 0.000 1.447 280 I HN 0.336 nan 8.210 nan 0.000 0.593 281 P HA 0.078 nan 4.420 nan 0.000 0.275 281 P C -0.979 175.990 177.300 -0.552 0.000 1.270 281 P CA -0.127 62.771 63.100 -0.336 0.000 0.791 281 P CB 0.239 31.623 31.700 -0.527 0.000 1.089 282 F N 1.078 120.584 119.950 -0.741 0.000 2.427 282 F HA 0.478 5.005 4.527 -0.000 0.000 0.352 282 F C -0.970 174.221 175.800 -1.014 0.000 1.100 282 F CA 0.163 57.725 58.000 -0.731 0.000 1.191 282 F CB -0.155 38.475 39.000 -0.617 0.000 1.128 282 F HN 0.045 nan 8.300 nan 0.000 0.533 283 F N 3.729 122.916 119.950 -1.271 0.000 2.569 283 F HA 0.690 5.217 4.527 -0.000 0.000 0.312 283 F C 0.268 175.306 175.800 -1.270 0.000 1.109 283 F CA -0.960 56.422 58.000 -1.029 0.000 0.919 283 F CB 1.883 40.582 39.000 -0.501 0.000 1.211 283 F HN 0.664 nan 8.300 nan 0.000 0.446 284 G N 1.258 109.667 108.800 -0.650 0.000 2.605 284 G HA2 0.620 4.579 3.960 -0.000 0.000 0.296 284 G HA3 0.620 4.579 3.960 -0.000 0.000 0.296 284 G C -2.714 172.117 174.900 -0.116 0.000 1.304 284 G CA -1.753 43.173 45.100 -0.289 0.000 0.941 284 G HN 0.302 nan 8.290 nan 0.000 0.475 285 P HA 0.076 nan 4.420 nan 0.000 0.227 285 P C -0.426 176.807 177.300 -0.111 0.000 1.161 285 P CA 0.593 63.548 63.100 -0.242 0.000 0.788 285 P CB 0.127 31.533 31.700 -0.491 0.000 0.822 286 Y N -0.575 119.850 120.300 0.208 0.000 2.330 286 Y HA 0.411 4.960 4.550 -0.000 0.000 0.336 286 Y C 0.768 176.700 175.900 0.052 0.000 1.036 286 Y CA -0.789 57.303 58.100 -0.013 0.000 1.125 286 Y CB 0.754 39.024 38.460 -0.317 0.000 1.194 286 Y HN -0.379 nan 8.280 nan 0.000 0.469 287 T N 2.648 117.335 114.554 0.221 0.000 2.743 287 T HA 0.279 4.629 4.350 -0.000 0.000 0.292 287 T C 0.052 174.773 174.700 0.035 0.000 0.972 287 T CA -0.850 61.409 62.100 0.264 0.000 0.967 287 T CB 0.294 69.461 68.868 0.499 0.000 0.926 287 T HN 0.712 nan 8.240 nan 0.000 0.459 288 T N 0.440 115.017 114.554 0.039 0.000 2.875 288 T HA 0.662 5.012 4.350 -0.000 0.000 0.284 288 T C -0.346 174.367 174.700 0.022 0.000 0.995 288 T CA -0.723 61.382 62.100 0.008 0.000 1.060 288 T CB 0.976 69.862 68.868 0.030 0.000 0.967 288 T HN 0.255 nan 8.240 nan 0.000 0.476 289 V N 4.163 124.090 119.914 0.022 0.000 2.409 289 V HA 0.373 4.493 4.120 -0.000 0.000 0.290 289 V C -0.192 175.912 176.094 0.016 0.000 1.017 289 V CA -1.054 61.252 62.300 0.009 0.000 0.841 289 V CB 0.746 32.568 31.823 -0.001 0.000 1.003 289 V HN 1.050 nan 8.190 nan 0.000 0.426 290 N N 4.072 122.795 118.700 0.038 0.000 2.727 290 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 290 N C 1.187 176.709 175.510 0.019 0.000 1.048 290 N CA 1.660 54.727 53.050 0.027 0.000 0.714 290 N CB -1.076 37.415 38.487 0.006 0.000 0.959 290 N HN 1.541 nan 8.380 nan 0.000 0.544 291 G N -1.396 107.439 108.800 0.058 0.000 2.159 291 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.256 291 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.256 291 G C 0.066 174.971 174.900 0.007 0.000 0.977 291 G CA 0.595 45.722 45.100 0.044 0.000 0.652 291 G HN 0.596 nan 8.290 nan 0.000 0.531 292 R N -0.547 119.948 120.500 -0.008 0.000 2.599 292 R HA 0.601 4.940 4.340 -0.000 0.000 0.295 292 R C 0.356 176.628 176.300 -0.047 0.000 0.963 292 R CA -1.040 55.039 56.100 -0.034 0.000 0.883 292 R CB 1.510 31.779 30.300 -0.052 0.000 1.171 292 R HN 0.219 nan 8.270 nan 0.000 0.450 293 I N 3.549 124.056 120.570 -0.106 0.000 2.668 293 I HA -0.111 4.058 4.170 -0.000 0.000 0.285 293 I C 0.021 176.112 176.117 -0.043 0.000 1.168 293 I CA 0.410 61.548 61.300 -0.269 0.000 1.424 293 I CB 0.197 37.894 38.000 -0.505 0.000 1.377 293 I HN 0.612 nan 8.210 nan 0.000 0.560 294 W N 5.552 126.904 121.300 0.086 0.000 6.544 294 W HA -0.152 4.507 4.660 -0.000 0.000 0.423 294 W C -2.337 174.285 176.519 0.172 0.000 1.688 294 W CA -0.910 56.495 57.345 0.100 0.000 1.082 294 W CB -2.314 27.091 29.460 -0.091 0.000 2.917 294 W HN 0.313 nan 8.180 nan 0.000 1.481 295 P HA 0.373 nan 4.420 nan 0.000 0.278 295 P C -0.465 176.931 177.300 0.160 0.000 1.266 295 P CA -0.131 63.039 63.100 0.116 0.000 0.807 295 P CB 1.057 32.719 31.700 -0.063 0.000 1.094 296 Y N -1.434 118.898 120.300 0.054 0.000 2.487 296 Y HA 0.805 5.355 4.550 -0.000 0.000 0.337 296 Y C -1.086 174.727 175.900 -0.146 0.000 1.076 296 Y CA -1.834 56.198 58.100 -0.113 0.000 1.115 296 Y CB 1.000 39.411 38.460 -0.081 0.000 1.235 296 Y HN 0.523 nan 8.280 nan 0.000 0.468 297 A N 2.655 125.455 122.820 -0.034 0.000 2.335 297 A HA 0.455 4.775 4.320 -0.000 0.000 0.304 297 A C -1.482 176.135 177.584 0.055 0.000 1.118 297 A CA -0.871 51.136 52.037 -0.051 0.000 0.757 297 A CB 0.488 19.402 19.000 -0.143 0.000 1.188 297 A HN 0.767 nan 8.150 nan 0.000 0.460 298 D N 2.091 122.550 120.400 0.098 0.000 2.317 298 D HA 0.409 5.048 4.640 -0.000 0.000 0.252 298 D C 0.227 176.504 176.300 -0.039 0.000 1.174 298 D CA 0.485 54.508 54.000 0.039 0.000 0.866 298 D CB 1.501 42.350 40.800 0.081 0.000 1.127 298 D HN 0.562 nan 8.370 nan 0.000 0.467 299 V N -0.381 119.439 119.914 -0.156 0.000 2.962 299 V HA 0.542 4.662 4.120 -0.000 0.000 0.313 299 V C -0.243 175.771 176.094 -0.133 0.000 1.099 299 V CA -1.070 61.077 62.300 -0.256 0.000 0.971 299 V CB 2.540 33.873 31.823 -0.817 0.000 1.028 299 V HN 0.145 nan 8.190 nan 0.000 0.430 300 D N 2.070 122.530 120.400 0.099 0.000 2.354 300 D HA 0.241 4.881 4.640 -0.000 0.000 0.247 300 D C -0.215 176.170 176.300 0.141 0.000 1.138 300 D CA 0.079 54.156 54.000 0.127 0.000 0.958 300 D CB 1.106 42.021 40.800 0.192 0.000 1.144 300 D HN 0.939 nan 8.370 nan 0.000 0.458 301 D N -0.041 120.419 120.400 0.100 0.000 2.671 301 D HA 0.266 4.906 4.640 -0.000 0.000 0.228 301 D C 0.464 176.868 176.300 0.173 0.000 1.102 301 D CA -0.531 53.544 54.000 0.125 0.000 1.044 301 D CB -0.187 40.651 40.800 0.065 0.000 1.113 301 D HN 0.329 nan 8.370 nan 0.000 0.480 302 G N -0.518 108.457 108.800 0.292 0.000 3.021 302 G HA2 0.450 4.410 3.960 -0.000 0.000 0.290 302 G HA3 0.450 4.410 3.960 -0.000 0.000 0.290 302 G C -1.562 173.489 174.900 0.252 0.000 1.291 302 G CA -1.265 43.973 45.100 0.229 0.000 0.834 302 G HN 0.194 nan 8.290 nan 0.000 0.564 303 W N 0.237 121.585 121.300 0.080 0.000 2.322 303 W HA 0.621 5.281 4.660 -0.000 0.000 0.307 303 W C -0.871 175.589 176.519 -0.097 0.000 1.220 303 W CA 0.037 57.371 57.345 -0.018 0.000 1.210 303 W CB 0.784 30.123 29.460 -0.202 0.000 1.223 303 W HN 0.260 nan 8.180 nan 0.000 0.511 304 Y N 1.887 122.274 120.300 0.144 0.000 2.509 304 Y HA 0.487 5.037 4.550 -0.000 0.000 0.341 304 Y C 0.192 176.127 175.900 0.058 0.000 1.038 304 Y CA -1.684 56.481 58.100 0.108 0.000 1.089 304 Y CB 1.689 40.256 38.460 0.179 0.000 1.241 304 Y HN 0.228 nan 8.280 nan 0.000 0.468 305 R N 3.274 123.868 120.500 0.157 0.000 2.343 305 R HA 0.611 4.951 4.340 -0.000 0.000 0.320 305 R C -1.895 174.497 176.300 0.153 0.000 0.956 305 R CA -0.479 55.683 56.100 0.102 0.000 0.836 305 R CB 0.498 30.803 30.300 0.010 0.000 1.151 305 R HN 0.737 nan 8.270 nan 0.000 0.450 306 L N 4.773 126.086 121.223 0.149 0.000 2.317 306 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 306 L C 0.156 177.100 176.870 0.123 0.000 1.024 306 L CA -1.126 53.808 54.840 0.156 0.000 0.810 306 L CB 1.606 43.771 42.059 0.177 0.000 1.240 306 L HN 0.399 nan 8.230 nan 0.000 0.427 307 R N 3.477 124.041 120.500 0.107 0.000 2.522 307 R HA 0.361 4.701 4.340 -0.000 0.000 0.290 307 R C -0.863 175.486 176.300 0.082 0.000 1.216 307 R CA -0.793 55.359 56.100 0.087 0.000 1.250 307 R CB 0.669 31.010 30.300 0.068 0.000 1.143 307 R HN 0.355 nan 8.270 nan 0.000 0.553 308 L N 2.726 124.013 121.223 0.106 0.000 2.265 308 L HA 0.395 4.735 4.340 -0.000 0.000 0.288 308 L C -0.581 176.328 176.870 0.065 0.000 1.058 308 L CA -0.571 54.322 54.840 0.088 0.000 0.809 308 L CB 1.520 43.648 42.059 0.116 0.000 1.179 308 L HN 0.217 nan 8.230 nan 0.000 0.429 309 V N 6.049 125.926 119.914 -0.062 0.000 2.656 309 V HA 0.527 4.646 4.120 -0.000 0.000 0.307 309 V C -0.773 175.141 176.094 -0.301 0.000 1.051 309 V CA -0.781 61.377 62.300 -0.237 0.000 0.893 309 V CB 2.018 33.557 31.823 -0.473 0.000 0.999 309 V HN 0.907 nan 8.190 nan 0.000 0.426 310 N N 5.140 123.645 118.700 -0.326 0.000 2.469 310 N HA 0.425 5.165 4.740 -0.000 0.000 0.239 310 N C 0.378 175.592 175.510 -0.493 0.000 1.053 310 N CA 0.334 53.213 53.050 -0.284 0.000 0.937 310 N CB 1.556 39.991 38.487 -0.087 0.000 1.163 310 N HN 0.828 nan 8.380 nan 0.000 0.509 311 A N 2.392 124.920 122.820 -0.487 0.000 2.370 311 A HA 0.185 4.505 4.320 -0.000 0.000 0.238 311 A C 0.488 177.891 177.584 -0.302 0.000 1.289 311 A CA -0.362 51.328 52.037 -0.579 0.000 0.885 311 A CB -0.277 18.396 19.000 -0.544 0.000 0.961 311 A HN 0.534 nan 8.150 nan 0.000 0.499 312 S N 0.686 116.308 115.700 -0.130 0.000 2.579 312 S HA 0.058 4.527 4.470 -0.000 0.000 0.275 312 S C 1.047 175.651 174.600 0.007 0.000 1.345 312 S CA -0.329 57.873 58.200 0.002 0.000 1.031 312 S CB 0.519 63.819 63.200 0.168 0.000 0.892 312 S HN 0.560 nan 8.310 nan 0.000 0.529 313 N N 1.629 120.339 118.700 0.016 0.000 2.094 313 N HA -0.131 4.608 4.740 -0.000 0.000 0.191 313 N C 1.172 176.671 175.510 -0.017 0.000 1.023 313 N CA 1.879 54.924 53.050 -0.007 0.000 0.857 313 N CB -0.155 38.326 38.487 -0.010 0.000 1.013 313 N HN 0.746 nan 8.380 nan 0.000 0.426 314 A N -1.434 121.354 122.820 -0.054 0.000 2.212 314 A HA 0.154 4.474 4.320 -0.000 0.000 0.169 314 A C 0.599 178.216 177.584 0.056 0.000 1.802 314 A CA -0.427 51.537 52.037 -0.121 0.000 1.344 314 A CB 0.052 18.747 19.000 -0.508 0.000 1.566 314 A HN 0.133 nan 8.150 nan 0.000 0.419 315 R N 1.175 121.725 120.500 0.085 0.000 2.489 315 R HA 0.380 4.720 4.340 -0.000 0.000 0.287 315 R C -1.057 175.278 176.300 0.059 0.000 1.053 315 R CA 0.050 56.261 56.100 0.185 0.000 1.036 315 R CB 0.056 30.370 30.300 0.024 0.000 0.966 315 R HN 0.364 nan 8.270 nan 0.000 0.432 316 I N 5.371 125.950 120.570 0.014 0.000 2.325 316 I HA 0.115 4.285 4.170 -0.000 0.000 0.291 316 I C -0.530 175.512 176.117 -0.125 0.000 1.019 316 I CA -0.574 60.726 61.300 0.000 0.000 1.302 316 I CB 0.731 38.743 38.000 0.019 0.000 1.401 316 I HN 0.555 nan 8.210 nan 0.000 0.485 317 Y N 4.856 125.152 120.300 -0.007 0.000 2.336 317 Y HA 0.193 4.742 4.550 -0.000 0.000 0.335 317 Y C 0.207 176.080 175.900 -0.046 0.000 1.046 317 Y CA -0.135 57.951 58.100 -0.024 0.000 1.198 317 Y CB 0.589 39.027 38.460 -0.035 0.000 1.182 317 Y HN 0.499 nan 8.280 nan 0.000 0.502 318 N N 4.753 123.482 118.700 0.048 0.000 2.678 318 N HA 0.337 5.076 4.740 -0.000 0.000 0.231 318 N C -1.401 174.144 175.510 0.060 0.000 1.038 318 N CA -0.326 52.745 53.050 0.036 0.000 0.932 318 N CB 0.549 39.036 38.487 0.001 0.000 1.176 318 N HN 0.411 nan 8.380 nan 0.000 0.511 319 L N 2.055 123.320 121.223 0.070 0.000 2.305 319 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 319 L C -0.298 176.593 176.870 0.034 0.000 1.085 319 L CA -0.774 54.105 54.840 0.064 0.000 0.813 319 L CB 0.913 43.001 42.059 0.049 0.000 1.157 319 L HN 0.132 nan 8.230 nan 0.000 0.436 320 V N 3.868 123.680 119.914 -0.169 0.000 2.735 320 V HA 0.384 4.504 4.120 -0.000 0.000 0.310 320 V C -0.460 175.216 176.094 -0.697 0.000 1.061 320 V CA -0.723 61.181 62.300 -0.660 0.000 0.913 320 V CB 2.323 33.891 31.823 -0.426 0.000 1.005 320 V HN 0.424 nan 8.190 nan 0.000 0.428 321 L N 6.241 126.737 121.223 -1.212 0.000 2.275 321 L HA 0.697 5.036 4.340 -0.000 0.000 0.288 321 L C -0.369 176.265 176.870 -0.394 0.000 1.046 321 L CA 0.219 54.767 54.840 -0.487 0.000 0.805 321 L CB 0.778 42.713 42.059 -0.206 0.000 1.193 321 L HN 0.681 nan 8.230 nan 0.000 0.426 322 I N 1.037 121.491 120.570 -0.194 0.000 2.785 322 I HA 0.650 4.820 4.170 -0.000 0.000 0.302 322 I C -0.666 175.412 176.117 -0.065 0.000 1.069 322 I CA -0.885 60.336 61.300 -0.132 0.000 1.045 322 I CB 1.954 39.884 38.000 -0.117 0.000 1.236 322 I HN 0.607 nan 8.210 nan 0.000 0.429 323 D N 2.772 123.144 120.400 -0.047 0.000 2.478 323 D HA 0.128 4.768 4.640 -0.000 0.000 0.274 323 D C 0.600 176.881 176.300 -0.032 0.000 1.234 323 D CA -0.117 53.865 54.000 -0.029 0.000 1.069 323 D CB 0.464 41.252 40.800 -0.020 0.000 1.113 323 D HN 0.655 nan 8.370 nan 0.000 0.571 324 E N -1.133 119.050 120.200 -0.028 0.000 2.265 324 E HA -0.064 4.286 4.350 -0.000 0.000 0.196 324 E C 0.314 176.901 176.600 -0.022 0.000 0.996 324 E CA 1.043 57.427 56.400 -0.027 0.000 0.832 324 E CB -0.098 29.586 29.700 -0.026 0.000 0.756 324 E HN 0.351 nan 8.360 nan 0.000 0.491 325 D N -0.240 120.146 120.400 -0.022 0.000 2.368 325 D HA 0.039 4.678 4.640 -0.000 0.000 0.218 325 D C -0.468 175.818 176.300 -0.024 0.000 1.112 325 D CA 0.061 54.048 54.000 -0.020 0.000 0.834 325 D CB 0.344 41.134 40.800 -0.017 0.000 0.953 325 D HN -0.061 nan 8.370 nan 0.000 0.505 326 D N -0.102 120.280 120.400 -0.030 0.000 3.079 326 D HA -0.219 4.421 4.640 -0.000 0.000 0.214 326 D C 0.416 176.690 176.300 -0.045 0.000 1.145 326 D CA 0.494 54.471 54.000 -0.039 0.000 0.958 326 D CB -1.196 39.584 40.800 -0.034 0.000 1.117 326 D HN 0.323 nan 8.370 nan 0.000 0.416 327 R N 0.925 121.403 120.500 -0.038 0.000 2.347 327 R HA 0.341 4.681 4.340 -0.000 0.000 0.304 327 R C -2.473 173.797 176.300 -0.049 0.000 1.072 327 R CA -1.237 54.843 56.100 -0.033 0.000 0.980 327 R CB 0.758 31.046 30.300 -0.019 0.000 0.986 327 R HN -0.168 nan 8.270 nan 0.000 0.448 328 P HA -0.040 nan 4.420 nan 0.000 0.269 328 P C -1.059 176.243 177.300 0.004 0.000 1.209 328 P CA -0.125 62.928 63.100 -0.078 0.000 0.776 328 P CB 0.755 32.443 31.700 -0.019 0.000 0.876 329 V N 5.392 125.320 119.914 0.024 0.000 2.294 329 V HA 0.286 4.406 4.120 -0.000 0.000 0.272 329 V C -1.844 174.350 176.094 0.166 0.000 1.027 329 V CA -1.681 60.659 62.300 0.065 0.000 0.823 329 V CB 0.847 32.683 31.823 0.021 0.000 1.030 329 V HN 0.575 nan 8.190 nan 0.000 0.457 330 P HA 0.382 nan 4.420 nan 0.000 0.278 330 P C 0.768 178.051 177.300 -0.029 0.000 1.258 330 P CA 0.297 63.422 63.100 0.041 0.000 0.811 330 P CB 1.238 32.950 31.700 0.019 0.000 1.063 331 G N -0.552 108.191 108.800 -0.095 0.000 2.143 331 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.248 331 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.248 331 G C 0.377 175.200 174.900 -0.129 0.000 0.991 331 G CA 0.159 45.202 45.100 -0.096 0.000 0.689 331 G HN 0.444 nan 8.290 nan 0.000 0.522 332 V N -1.189 118.598 119.914 -0.212 0.000 3.251 332 V HA 0.244 4.364 4.120 -0.000 0.000 0.239 332 V C 1.166 177.081 176.094 -0.299 0.000 1.332 332 V CA 1.055 63.206 62.300 -0.249 0.000 1.224 332 V CB 1.176 32.856 31.823 -0.237 0.000 1.004 332 V HN 0.241 nan 8.190 nan 0.000 0.464 333 V N 1.349 121.058 119.914 -0.342 0.000 2.439 333 V HA 0.500 4.620 4.120 -0.000 0.000 0.282 333 V C -0.882 174.918 176.094 -0.490 0.000 1.039 333 V CA -0.404 61.737 62.300 -0.266 0.000 0.913 333 V CB 1.031 32.762 31.823 -0.154 0.000 0.983 333 V HN 0.565 nan 8.190 nan 0.000 0.460 334 H N 2.187 121.267 119.070 0.016 0.000 2.744 334 H HA 0.433 4.989 4.556 -0.000 0.000 0.339 334 H C -0.407 174.956 175.328 0.059 0.000 1.004 334 H CA -0.431 55.647 56.048 0.049 0.000 1.257 334 H CB 1.323 31.168 29.762 0.139 0.000 1.552 334 H HN 0.662 nan 8.280 nan 0.000 0.522 335 Q N 3.279 123.154 119.800 0.126 0.000 2.286 335 Q HA 0.272 4.612 4.340 -0.000 0.000 0.257 335 Q C 0.408 176.478 176.000 0.115 0.000 0.941 335 Q CA -0.261 55.620 55.803 0.129 0.000 0.912 335 Q CB 0.663 29.478 28.738 0.128 0.000 1.192 335 Q HN 0.905 nan 8.270 nan 0.000 0.410 336 I N 0.038 120.670 120.570 0.103 0.000 4.240 336 I HA 0.590 4.760 4.170 -0.000 0.000 0.331 336 I C 0.314 176.455 176.117 0.040 0.000 1.381 336 I CA -0.418 60.922 61.300 0.067 0.000 1.136 336 I CB 1.105 39.148 38.000 0.072 0.000 1.137 336 I HN 0.492 nan 8.210 nan 0.000 0.411 337 G N 0.627 109.452 108.800 0.042 0.000 2.667 337 G HA2 0.599 4.559 3.960 -0.000 0.000 0.294 337 G HA3 0.599 4.559 3.960 -0.000 0.000 0.294 337 G C -1.135 173.765 174.900 -0.000 0.000 1.467 337 G CA 0.113 45.233 45.100 0.032 0.000 0.852 337 G HN 0.278 nan 8.290 nan 0.000 0.521 338 S N -0.503 115.194 115.700 -0.005 0.000 2.911 338 S HA 0.571 5.040 4.470 -0.000 0.000 0.319 338 S C 0.489 175.073 174.600 -0.027 0.000 1.154 338 S CA -0.156 57.986 58.200 -0.096 0.000 0.857 338 S CB 1.217 64.363 63.200 -0.090 0.000 1.279 338 S HN 0.369 nan 8.310 nan 0.000 0.593 339 D N 1.536 121.905 120.400 -0.052 0.000 2.248 339 D HA -0.114 4.525 4.640 -0.000 0.000 0.189 339 D C 1.627 178.041 176.300 0.190 0.000 1.011 339 D CA 2.288 56.324 54.000 0.060 0.000 0.868 339 D CB -0.926 39.918 40.800 0.072 0.000 0.931 339 D HN 0.779 nan 8.370 nan 0.000 0.449 340 G N -1.321 107.635 108.800 0.260 0.000 3.159 340 G HA2 0.484 4.443 3.960 -0.000 0.000 0.232 340 G HA3 0.484 4.443 3.960 -0.000 0.000 0.232 340 G C 0.618 175.713 174.900 0.326 0.000 1.116 340 G CA 0.492 45.809 45.100 0.362 0.000 0.767 340 G HN 0.684 nan 8.290 nan 0.000 0.547 341 G N -0.397 108.550 108.800 0.246 0.000 2.332 341 G HA2 0.130 4.090 3.960 -0.000 0.000 0.265 341 G HA3 0.130 4.090 3.960 -0.000 0.000 0.265 341 G C -0.929 174.069 174.900 0.164 0.000 1.329 341 G CA -1.054 44.156 45.100 0.183 0.000 0.949 341 G HN 0.364 nan 8.290 nan 0.000 0.476 342 L N 1.253 122.557 121.223 0.136 0.000 2.490 342 L HA 0.289 4.629 4.340 -0.000 0.000 0.274 342 L C 1.079 177.984 176.870 0.057 0.000 1.201 342 L CA -0.288 54.602 54.840 0.084 0.000 0.869 342 L CB 0.125 42.223 42.059 0.066 0.000 1.123 342 L HN 0.380 nan 8.230 nan 0.000 0.484 343 L N 5.053 126.254 121.223 -0.037 0.000 2.482 343 L HA 0.055 4.395 4.340 -0.000 0.000 0.273 343 L C -0.983 175.708 176.870 -0.298 0.000 1.228 343 L CA -1.277 53.448 54.840 -0.192 0.000 0.827 343 L CB 0.103 42.082 42.059 -0.132 0.000 1.099 343 L HN 0.503 nan 8.230 nan 0.000 0.494 344 P HA -0.093 nan 4.420 nan 0.000 0.217 344 P C -0.100 177.079 177.300 -0.201 0.000 1.150 344 P CA 1.485 64.293 63.100 -0.487 0.000 0.832 344 P CB 0.297 31.569 31.700 -0.714 0.000 0.787 345 R N -0.901 119.493 120.500 -0.176 0.000 2.725 345 R HA 0.464 4.803 4.340 -0.000 0.000 0.277 345 R C -2.784 173.483 176.300 -0.055 0.000 0.987 345 R CA -2.514 53.534 56.100 -0.087 0.000 0.901 345 R CB 1.313 31.571 30.300 -0.069 0.000 1.207 345 R HN -0.081 nan 8.270 nan 0.000 0.463 346 P HA 0.077 nan 4.420 nan 0.000 0.269 346 P C -0.670 176.658 177.300 0.046 0.000 1.215 346 P CA -0.288 62.834 63.100 0.037 0.000 0.780 346 P CB 0.666 32.405 31.700 0.065 0.000 0.898 347 V N 4.171 124.124 119.914 0.064 0.000 2.443 347 V HA 0.316 4.436 4.120 -0.000 0.000 0.293 347 V C -2.196 173.905 176.094 0.012 0.000 1.021 347 V CA -2.001 60.316 62.300 0.028 0.000 0.848 347 V CB 1.727 33.555 31.823 0.010 0.000 0.998 347 V HN 0.547 nan 8.190 nan 0.000 0.424 348 P HA 0.217 nan 4.420 nan 0.000 0.276 348 P C -0.750 176.406 177.300 -0.241 0.000 1.230 348 P CA -0.057 62.942 63.100 -0.168 0.000 0.776 348 P CB 1.316 32.950 31.700 -0.111 0.000 0.888 349 V N 3.531 123.209 119.914 -0.393 0.000 2.305 349 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 349 V C 0.364 175.978 176.094 -0.801 0.000 1.020 349 V CA -0.050 61.903 62.300 -0.579 0.000 0.811 349 V CB 0.938 32.387 31.823 -0.622 0.000 1.031 349 V HN 0.445 nan 8.190 nan 0.000 0.439 350 D N 3.390 123.462 120.400 -0.545 0.000 2.395 350 D HA 0.214 4.853 4.640 -0.000 0.000 0.213 350 D C 0.722 176.935 176.300 -0.144 0.000 1.110 350 D CA -0.128 53.683 54.000 -0.315 0.000 0.835 350 D CB 0.233 40.943 40.800 -0.149 0.000 0.965 350 D HN 0.537 nan 8.370 nan 0.000 0.505 351 F N 1.340 121.260 119.950 -0.049 0.000 3.067 351 F HA -0.290 4.237 4.527 -0.000 0.000 0.279 351 F C 0.821 176.603 175.800 -0.029 0.000 0.945 351 F CA 0.143 58.120 58.000 -0.037 0.000 0.948 351 F CB -1.714 37.263 39.000 -0.038 0.000 0.898 351 F HN 0.094 nan 8.300 nan 0.000 0.746 352 D N -0.934 119.497 120.400 0.051 0.000 2.463 352 D HA 0.218 4.858 4.640 -0.000 0.000 0.247 352 D C 1.127 177.442 176.300 0.024 0.000 1.240 352 D CA 0.621 54.642 54.000 0.034 0.000 1.151 352 D CB -0.043 40.760 40.800 0.005 0.000 1.180 352 D HN -0.040 nan 8.370 nan 0.000 0.532 353 D N -1.601 118.803 120.400 0.007 0.000 2.422 353 D HA 0.056 4.696 4.640 -0.000 0.000 0.218 353 D C 1.843 178.143 176.300 0.000 0.000 1.047 353 D CA 0.741 54.745 54.000 0.007 0.000 0.885 353 D CB -0.271 40.532 40.800 0.006 0.000 1.035 353 D HN 0.289 nan 8.370 nan 0.000 0.502 354 T N 0.652 115.200 114.554 -0.010 0.000 2.778 354 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 354 T C 0.597 175.285 174.700 -0.021 0.000 1.050 354 T CA 0.896 62.987 62.100 -0.016 0.000 1.137 354 T CB 0.210 69.062 68.868 -0.027 0.000 0.860 354 T HN -0.051 nan 8.240 nan 0.000 0.468 355 L N 1.074 122.278 121.223 -0.032 0.000 2.635 355 L HA 0.300 4.640 4.340 -0.000 0.000 0.251 355 L C -2.250 174.611 176.870 -0.015 0.000 1.056 355 L CA -1.283 53.533 54.840 -0.039 0.000 0.936 355 L CB 1.897 43.899 42.059 -0.095 0.000 1.162 355 L HN -0.230 nan 8.230 nan 0.000 0.481 356 P HA 0.023 nan 4.420 nan 0.000 0.224 356 P C 0.191 177.612 177.300 0.203 0.000 1.157 356 P CA 0.859 64.023 63.100 0.106 0.000 0.799 356 P CB 0.468 32.207 31.700 0.065 0.000 0.809 357 V N -3.142 116.860 119.914 0.146 0.000 2.876 357 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 357 V C -0.706 175.457 176.094 0.115 0.000 1.085 357 V CA -1.721 60.689 62.300 0.183 0.000 0.945 357 V CB 2.117 33.993 31.823 0.089 0.000 1.017 357 V HN -0.198 nan 8.190 nan 0.000 0.428 358 L N 3.607 124.916 121.223 0.144 0.000 2.342 358 L HA 0.533 4.873 4.340 -0.000 0.000 0.285 358 L C 0.567 177.380 176.870 -0.096 0.000 1.095 358 L CA 0.818 55.646 54.840 -0.020 0.000 0.843 358 L CB 0.833 42.858 42.059 -0.056 0.000 1.201 358 L HN 0.956 nan 8.230 nan 0.000 0.445 359 S N 4.472 120.128 115.700 -0.074 0.000 2.410 359 S HA 0.734 5.203 4.470 -0.000 0.000 0.304 359 S C -0.072 174.487 174.600 -0.069 0.000 1.095 359 S CA -0.424 57.759 58.200 -0.029 0.000 1.089 359 S CB 0.240 63.468 63.200 0.047 0.000 0.968 359 S HN 0.807 nan 8.310 nan 0.000 0.480 360 A N 4.557 127.312 122.820 -0.108 0.000 2.316 360 A HA 0.758 5.078 4.320 -0.000 0.000 0.324 360 A C 0.364 178.030 177.584 0.137 0.000 1.375 360 A CA -0.604 51.398 52.037 -0.058 0.000 0.882 360 A CB 0.258 19.077 19.000 -0.302 0.000 1.152 360 A HN 1.011 nan 8.150 nan 0.000 0.512 361 A N 3.873 126.807 122.820 0.190 0.000 2.313 361 A HA 0.704 5.024 4.320 -0.000 0.000 0.261 361 A C -2.474 175.150 177.584 0.067 0.000 1.090 361 A CA -1.571 50.540 52.037 0.123 0.000 0.807 361 A CB -0.373 18.697 19.000 0.116 0.000 1.055 361 A HN 0.544 nan 8.150 nan 0.000 0.492 362 P HA 0.149 nan 4.420 nan 0.000 0.261 362 P C 0.588 177.741 177.300 -0.244 0.000 1.173 362 P CA 2.235 65.295 63.100 -0.067 0.000 0.760 362 P CB 0.600 32.332 31.700 0.054 0.000 0.783 363 A N 2.304 124.857 122.820 -0.446 0.000 3.383 363 A HA -0.264 4.056 4.320 -0.000 0.000 0.264 363 A C 0.575 177.909 177.584 -0.415 0.000 1.154 363 A CA 0.979 52.681 52.037 -0.558 0.000 1.179 363 A CB -2.401 16.161 19.000 -0.730 0.000 1.133 363 A HN 0.580 nan 8.150 nan 0.000 0.933 364 E N -0.611 119.448 120.200 -0.235 0.000 2.373 364 E HA 0.497 4.847 4.350 -0.000 0.000 0.263 364 E C 0.213 176.675 176.600 -0.230 0.000 1.073 364 E CA -0.331 55.953 56.400 -0.193 0.000 0.894 364 E CB 0.406 30.095 29.700 -0.019 0.000 1.008 364 E HN 0.491 nan 8.360 nan 0.000 0.420 365 R N 1.290 121.551 120.500 -0.398 0.000 2.599 365 R HA 0.431 4.771 4.340 -0.000 0.000 0.295 365 R C -1.206 174.785 176.300 -0.514 0.000 0.963 365 R CA -0.469 55.470 56.100 -0.269 0.000 0.883 365 R CB 1.135 31.356 30.300 -0.132 0.000 1.171 365 R HN 0.345 nan 8.270 nan 0.000 0.450 366 F N 0.920 120.859 119.950 -0.019 0.000 2.499 366 F HA 0.226 4.753 4.527 -0.000 0.000 0.333 366 F C -0.157 175.657 175.800 0.023 0.000 1.138 366 F CA -0.947 57.060 58.000 0.010 0.000 0.945 366 F CB 1.798 40.805 39.000 0.012 0.000 1.181 366 F HN 0.322 nan 8.300 nan 0.000 0.435 367 D N 5.099 125.584 120.400 0.142 0.000 2.396 367 D HA 0.414 5.054 4.640 -0.000 0.000 0.225 367 D C -0.911 175.469 176.300 0.133 0.000 1.121 367 D CA 0.076 54.142 54.000 0.111 0.000 0.853 367 D CB 0.618 41.457 40.800 0.065 0.000 1.043 367 D HN 0.434 nan 8.370 nan 0.000 0.500 368 L N 3.706 125.012 121.223 0.139 0.000 2.329 368 L HA 0.481 4.821 4.340 -0.000 0.000 0.279 368 L C -0.138 176.814 176.870 0.137 0.000 1.014 368 L CA -0.993 53.931 54.840 0.140 0.000 0.814 368 L CB 1.910 44.045 42.059 0.127 0.000 1.257 368 L HN 0.180 nan 8.230 nan 0.000 0.424 369 L N 3.458 124.792 121.223 0.185 0.000 2.307 369 L HA 0.582 4.922 4.340 -0.000 0.000 0.284 369 L C -0.709 176.285 176.870 0.207 0.000 1.023 369 L CA -0.808 54.177 54.840 0.242 0.000 0.810 369 L CB 2.147 44.425 42.059 0.366 0.000 1.231 369 L HN 0.279 nan 8.230 nan 0.000 0.423 370 V N 1.693 121.626 119.914 0.032 0.000 2.409 370 V HA 0.194 4.314 4.120 -0.000 0.000 0.291 370 V C -0.522 175.193 176.094 -0.631 0.000 1.020 370 V CA -0.572 61.501 62.300 -0.378 0.000 0.848 370 V CB 1.899 33.295 31.823 -0.711 0.000 0.990 370 V HN 0.613 nan 8.190 nan 0.000 0.430 371 D N 3.966 123.871 120.400 -0.826 0.000 2.468 371 D HA 0.283 4.923 4.640 -0.000 0.000 0.218 371 D C 0.260 176.109 176.300 -0.751 0.000 1.155 371 D CA -0.307 52.992 54.000 -1.168 0.000 0.924 371 D CB 0.497 40.450 40.800 -1.412 0.000 1.029 371 D HN 0.361 nan 8.370 nan 0.000 0.515 372 F N 1.940 121.684 119.950 -0.343 0.000 2.773 372 F HA 0.245 4.772 4.527 -0.000 0.000 0.304 372 F C 2.166 177.867 175.800 -0.164 0.000 1.129 372 F CA -0.214 57.659 58.000 -0.212 0.000 1.378 372 F CB -0.028 38.883 39.000 -0.148 0.000 1.095 372 F HN 0.239 nan 8.300 nan 0.000 0.565 373 R N 0.549 120.995 120.500 -0.091 0.000 2.113 373 R HA -0.204 4.136 4.340 -0.000 0.000 0.244 373 R C 2.120 178.420 176.300 0.000 0.000 1.142 373 R CA 1.600 57.680 56.100 -0.034 0.000 0.953 373 R CB -0.584 29.672 30.300 -0.074 0.000 0.860 373 R HN 0.273 nan 8.270 nan 0.000 0.438 374 A N 0.111 122.918 122.820 -0.021 0.000 2.259 374 A HA 0.103 4.423 4.320 -0.000 0.000 0.208 374 A C 1.289 178.881 177.584 0.013 0.000 1.201 374 A CA 0.362 52.397 52.037 -0.003 0.000 0.824 374 A CB 0.116 19.107 19.000 -0.014 0.000 0.838 374 A HN 0.175 nan 8.150 nan 0.000 0.485 375 L N -0.164 121.081 121.223 0.035 0.000 2.965 375 L HA 0.248 4.588 4.340 -0.000 0.000 0.254 375 L C 1.249 178.124 176.870 0.008 0.000 1.220 375 L CA -0.479 54.385 54.840 0.039 0.000 1.023 375 L CB 0.386 42.507 42.059 0.103 0.000 1.355 375 L HN 0.356 nan 8.230 nan 0.000 0.545 376 G N -0.392 108.411 108.800 0.005 0.000 2.321 376 G HA2 0.271 4.231 3.960 -0.000 0.000 0.237 376 G HA3 0.271 4.231 3.960 -0.000 0.000 0.237 376 G C 1.169 176.055 174.900 -0.023 0.000 1.282 376 G CA 0.477 45.570 45.100 -0.012 0.000 0.886 376 G HN 0.486 nan 8.290 nan 0.000 0.528 377 G N 1.267 110.044 108.800 -0.038 0.000 2.166 377 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 377 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 377 G C 0.678 175.550 174.900 -0.047 0.000 0.986 377 G CA 0.642 45.717 45.100 -0.041 0.000 0.683 377 G HN 0.786 nan 8.290 nan 0.000 0.527 378 R N -0.648 119.821 120.500 -0.052 0.000 2.720 378 R HA 0.725 5.065 4.340 -0.000 0.000 0.272 378 R C 0.172 176.430 176.300 -0.071 0.000 0.991 378 R CA -0.832 55.240 56.100 -0.047 0.000 1.010 378 R CB 1.016 31.302 30.300 -0.022 0.000 1.141 378 R HN 0.278 nan 8.270 nan 0.000 0.494 379 R N 1.141 121.603 120.500 -0.064 0.000 2.439 379 R HA 0.523 4.862 4.340 -0.000 0.000 0.310 379 R C -0.719 175.547 176.300 -0.057 0.000 0.955 379 R CA -0.373 55.676 56.100 -0.085 0.000 0.853 379 R CB 1.354 31.590 30.300 -0.108 0.000 1.171 379 R HN 0.357 nan 8.270 nan 0.000 0.449 380 L N 2.728 123.937 121.223 -0.023 0.000 2.354 380 L HA 0.662 5.001 4.340 -0.000 0.000 0.269 380 L C -0.203 176.674 176.870 0.012 0.000 1.005 380 L CA -1.076 53.785 54.840 0.034 0.000 0.819 380 L CB 2.279 44.423 42.059 0.141 0.000 1.311 380 L HN 0.408 nan 8.230 nan 0.000 0.423 381 R N 1.573 122.058 120.500 -0.025 0.000 2.534 381 R HA 0.554 4.894 4.340 -0.000 0.000 0.301 381 R C -1.273 175.027 176.300 -0.000 0.000 0.961 381 R CA -0.988 55.063 56.100 -0.082 0.000 0.871 381 R CB 2.240 32.472 30.300 -0.114 0.000 1.170 381 R HN 0.271 nan 8.270 nan 0.000 0.446 382 L N 4.091 125.332 121.223 0.030 0.000 2.360 382 L HA 0.313 4.652 4.340 -0.000 0.000 0.276 382 L C -0.364 176.523 176.870 0.029 0.000 1.121 382 L CA -0.003 54.864 54.840 0.045 0.000 0.845 382 L CB 1.385 43.495 42.059 0.087 0.000 1.143 382 L HN 0.513 nan 8.230 nan 0.000 0.452 383 V N 0.796 120.710 119.914 0.001 0.000 3.040 383 V HA 0.652 4.771 4.120 -0.000 0.000 0.312 383 V C -0.849 175.281 176.094 0.060 0.000 1.115 383 V CA -1.005 61.314 62.300 0.032 0.000 0.998 383 V CB 2.080 33.897 31.823 -0.010 0.000 1.042 383 V HN 0.655 nan 8.190 nan 0.000 0.433 384 D N 2.114 122.576 120.400 0.104 0.000 2.317 384 D HA 0.274 4.914 4.640 -0.000 0.000 0.234 384 D C -0.247 176.058 176.300 0.009 0.000 1.112 384 D CA -0.066 53.995 54.000 0.102 0.000 0.840 384 D CB 1.358 42.234 40.800 0.127 0.000 1.078 384 D HN 0.805 nan 8.370 nan 0.000 0.486 385 K N 2.799 123.192 120.400 -0.012 0.000 2.312 385 K HA 0.476 4.796 4.320 -0.000 0.000 0.287 385 K C 0.332 176.898 176.600 -0.057 0.000 1.062 385 K CA -0.613 55.653 56.287 -0.036 0.000 0.934 385 K CB 0.660 33.142 32.500 -0.030 0.000 1.027 385 K HN 0.491 nan 8.250 nan 0.000 0.478 386 G N 4.118 112.876 108.800 -0.070 0.000 2.503 386 G HA2 0.141 4.100 3.960 -0.000 0.000 0.257 386 G HA3 0.141 4.100 3.960 -0.000 0.000 0.257 386 G C -1.523 173.330 174.900 -0.077 0.000 1.214 386 G CA -1.316 43.730 45.100 -0.091 0.000 0.839 386 G HN 0.559 nan 8.290 nan 0.000 0.559 387 P HA -0.049 nan 4.420 nan 0.000 0.220 387 P C 1.445 178.708 177.300 -0.061 0.000 1.148 387 P CA 1.401 64.460 63.100 -0.069 0.000 0.803 387 P CB 0.272 31.925 31.700 -0.079 0.000 0.782 388 G N -1.289 107.470 108.800 -0.069 0.000 3.088 388 G HA2 0.455 4.414 3.960 -0.000 0.000 0.217 388 G HA3 0.455 4.414 3.960 -0.000 0.000 0.217 388 G C 0.261 175.129 174.900 -0.054 0.000 1.159 388 G CA 0.502 45.566 45.100 -0.061 0.000 0.760 388 G HN 0.558 nan 8.290 nan 0.000 0.550 389 A N -0.330 122.459 122.820 -0.053 0.000 2.594 389 A HA 0.713 5.033 4.320 -0.000 0.000 0.296 389 A C -3.100 174.458 177.584 -0.044 0.000 1.061 389 A CA -1.092 50.916 52.037 -0.048 0.000 0.689 389 A CB 0.955 19.922 19.000 -0.055 0.000 1.280 389 A HN -0.033 nan 8.150 nan 0.000 0.406 390 P HA 0.305 nan 4.420 nan 0.000 0.267 390 P C 0.235 177.510 177.300 -0.042 0.000 1.201 390 P CA 0.527 63.606 63.100 -0.035 0.000 0.775 390 P CB 0.445 32.126 31.700 -0.031 0.000 0.854 391 A N 2.543 125.336 122.820 -0.045 0.000 2.580 391 A HA 0.357 4.676 4.320 -0.000 0.000 0.244 391 A C 1.600 179.150 177.584 -0.056 0.000 1.045 391 A CA 1.000 53.001 52.037 -0.059 0.000 0.761 391 A CB -1.501 17.447 19.000 -0.086 0.000 0.962 391 A HN 0.898 nan 8.150 nan 0.000 0.512 392 G N 1.952 110.722 108.800 -0.051 0.000 2.254 392 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.225 392 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.225 392 G C 0.427 175.302 174.900 -0.042 0.000 1.003 392 G CA 0.366 45.440 45.100 -0.043 0.000 0.622 392 G HN 1.265 nan 8.290 nan 0.000 0.507 393 T N 3.791 118.318 114.554 -0.045 0.000 2.799 393 T HA 0.554 4.904 4.350 -0.000 0.000 0.286 393 T C -2.272 172.392 174.700 -0.061 0.000 0.973 393 T CA -0.822 61.249 62.100 -0.048 0.000 1.035 393 T CB 2.012 70.853 68.868 -0.045 0.000 0.932 393 T HN 0.062 nan 8.240 nan 0.000 0.469 394 P HA 0.103 nan 4.420 nan 0.000 0.265 394 P C -0.390 176.847 177.300 -0.104 0.000 1.187 394 P CA 0.240 63.282 63.100 -0.098 0.000 0.766 394 P CB 0.351 31.989 31.700 -0.104 0.000 0.820 395 D N 3.671 123.995 120.400 -0.127 0.000 2.735 395 D HA 0.152 4.792 4.640 -0.000 0.000 0.291 395 D C -1.775 174.434 176.300 -0.151 0.000 1.205 395 D CA -1.884 52.043 54.000 -0.122 0.000 0.777 395 D CB 0.340 41.077 40.800 -0.104 0.000 1.234 395 D HN 0.050 nan 8.370 nan 0.000 0.520 396 P HA -0.144 nan 4.420 nan 0.000 0.216 396 P C 1.845 179.048 177.300 -0.162 0.000 1.150 396 P CA 0.608 63.592 63.100 -0.194 0.000 0.837 396 P CB 0.651 32.234 31.700 -0.195 0.000 0.786 397 L N -0.591 120.553 121.223 -0.132 0.000 2.083 397 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 397 L C 2.537 179.328 176.870 -0.133 0.000 1.083 397 L CA 1.760 56.529 54.840 -0.118 0.000 0.752 397 L CB -1.295 40.708 42.059 -0.094 0.000 0.899 397 L HN 0.050 nan 8.230 nan 0.000 0.433 398 G N -1.646 107.071 108.800 -0.138 0.000 2.956 398 G HA2 0.218 4.177 3.960 -0.000 0.000 0.207 398 G HA3 0.218 4.177 3.960 -0.000 0.000 0.207 398 G C 1.191 175.971 174.900 -0.201 0.000 1.162 398 G CA 0.423 45.431 45.100 -0.154 0.000 0.796 398 G HN 0.534 nan 8.290 nan 0.000 0.527 399 G N -1.320 107.351 108.800 -0.215 0.000 2.148 399 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 399 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 399 G C 0.215 174.973 174.900 -0.237 0.000 0.981 399 G CA 0.260 45.203 45.100 -0.262 0.000 0.670 399 G HN 0.917 nan 8.290 nan 0.000 0.528 400 V N 0.832 120.626 119.914 -0.201 0.000 2.271 400 V HA 0.372 4.492 4.120 -0.000 0.000 0.259 400 V C 1.491 177.466 176.094 -0.199 0.000 1.030 400 V CA 0.299 62.497 62.300 -0.170 0.000 0.957 400 V CB 0.712 32.457 31.823 -0.130 0.000 1.186 400 V HN 0.424 nan 8.190 nan 0.000 0.471 401 R N 2.450 122.774 120.500 -0.293 0.000 2.091 401 R HA -0.081 4.258 4.340 -0.000 0.000 0.238 401 R C -0.147 175.814 176.300 -0.565 0.000 1.136 401 R CA 1.709 57.502 56.100 -0.511 0.000 0.959 401 R CB 0.098 29.942 30.300 -0.761 0.000 0.856 401 R HN 0.585 nan 8.270 nan 0.000 0.437 402 Y N -0.669 119.599 120.300 -0.054 0.000 2.555 402 Y HA 0.327 4.877 4.550 -0.000 0.000 0.326 402 Y C -1.832 174.021 175.900 -0.078 0.000 0.984 402 Y CA -2.791 55.257 58.100 -0.087 0.000 1.298 402 Y CB 1.964 40.431 38.460 0.010 0.000 1.094 402 Y HN 0.055 nan 8.280 nan 0.000 0.500 403 P HA -0.213 nan 4.420 nan 0.000 0.217 403 P C 0.104 177.419 177.300 0.025 0.000 1.151 403 P CA 1.416 64.518 63.100 0.004 0.000 0.849 403 P CB 0.175 31.857 31.700 -0.031 0.000 0.787 404 E N -0.232 119.894 120.200 -0.123 0.000 2.392 404 E HA 0.033 4.383 4.350 -0.000 0.000 0.264 404 E C 0.570 177.215 176.600 0.075 0.000 1.024 404 E CA 0.031 56.351 56.400 -0.134 0.000 0.903 404 E CB 1.058 30.483 29.700 -0.459 0.000 0.963 404 E HN -0.012 nan 8.360 nan 0.000 0.432 405 V N 2.328 122.378 119.914 0.227 0.000 2.950 405 V HA 0.179 4.299 4.120 -0.000 0.000 0.231 405 V C 0.739 177.032 176.094 0.331 0.000 1.205 405 V CA 1.397 63.877 62.300 0.300 0.000 1.239 405 V CB -0.089 31.813 31.823 0.131 0.000 1.050 405 V HN 0.885 nan 8.190 nan 0.000 0.498 406 M N -0.889 118.830 119.600 0.199 0.000 2.833 406 M HA 0.616 5.096 4.480 -0.000 0.000 0.270 406 M C -1.526 174.550 176.300 -0.373 0.000 1.209 406 M CA -0.552 54.782 55.300 0.056 0.000 0.826 406 M CB 2.673 35.170 32.600 -0.172 0.000 1.657 406 M HN 0.037 nan 8.290 nan 0.000 0.492 407 E N 1.053 120.843 120.200 -0.682 0.000 2.199 407 E HA 0.654 5.004 4.350 -0.000 0.000 0.269 407 E C -2.124 174.129 176.600 -0.579 0.000 0.899 407 E CA -0.650 55.270 56.400 -0.800 0.000 0.772 407 E CB 1.885 30.823 29.700 -1.271 0.000 1.155 407 E HN 0.600 nan 8.360 nan 0.000 0.408 408 F N 2.819 122.621 119.950 -0.247 0.000 2.427 408 F HA 0.446 4.973 4.527 -0.001 0.000 0.346 408 F C 0.333 175.954 175.800 -0.299 0.000 1.120 408 F CA -0.809 57.030 58.000 -0.269 0.000 1.033 408 F CB 1.437 40.247 39.000 -0.315 0.000 1.126 408 F HN 0.216 nan 8.300 nan 0.000 0.462 409 R N 3.087 123.523 120.500 -0.106 0.000 2.246 409 R HA 0.506 4.846 4.340 -0.000 0.000 0.332 409 R C -1.352 174.828 176.300 -0.201 0.000 0.974 409 R CA -0.770 55.239 56.100 -0.151 0.000 0.837 409 R CB 1.451 31.662 30.300 -0.150 0.000 1.145 409 R HN 0.362 nan 8.270 nan 0.000 0.467 410 V N 3.984 123.760 119.914 -0.231 0.000 2.385 410 V HA 0.238 4.358 4.120 -0.000 0.000 0.269 410 V C 0.688 176.705 176.094 -0.128 0.000 1.043 410 V CA -0.610 61.539 62.300 -0.252 0.000 0.906 410 V CB 0.836 32.497 31.823 -0.269 0.000 0.995 410 V HN 0.618 nan 8.190 nan 0.000 0.467 411 R N 3.912 124.355 120.500 -0.095 0.000 2.265 411 R HA 0.258 4.598 4.340 -0.000 0.000 0.314 411 R C 0.020 176.309 176.300 -0.019 0.000 1.053 411 R CA -0.454 55.619 56.100 -0.045 0.000 0.931 411 R CB 0.840 31.126 30.300 -0.024 0.000 1.024 411 R HN 0.858 nan 8.270 nan 0.000 0.457 412 E N 2.618 122.810 120.200 -0.013 0.000 2.366 412 E HA 0.054 4.403 4.350 -0.000 0.000 0.266 412 E C -0.793 175.815 176.600 0.013 0.000 1.015 412 E CA 0.292 56.694 56.400 0.003 0.000 0.906 412 E CB 0.803 30.503 29.700 -0.001 0.000 0.979 412 E HN 0.535 nan 8.360 nan 0.000 0.443 413 T N 2.706 117.276 114.554 0.026 0.000 2.927 413 T HA 0.188 4.538 4.350 -0.000 0.000 0.286 413 T C 0.493 175.211 174.700 0.030 0.000 1.040 413 T CA -0.853 61.265 62.100 0.030 0.000 1.010 413 T CB 1.311 70.204 68.868 0.042 0.000 1.177 413 T HN 0.600 nan 8.240 nan 0.000 0.546 414 C N 0.353 119.670 119.300 0.029 0.000 2.634 414 C HA 0.185 4.645 4.460 -0.000 0.000 0.268 414 C C 1.257 176.268 174.990 0.036 0.000 1.322 414 C CA -0.002 59.032 59.018 0.028 0.000 1.737 414 C CB -0.970 26.783 27.740 0.023 0.000 1.976 414 C HN 0.820 nan 8.230 nan 0.000 0.547 415 E N 1.433 121.658 120.200 0.041 0.000 2.438 415 E HA 0.089 4.439 4.350 -0.000 0.000 0.261 415 E C -0.076 176.560 176.600 0.060 0.000 1.103 415 E CA 0.518 56.947 56.400 0.048 0.000 0.959 415 E CB 0.369 30.100 29.700 0.051 0.000 0.958 415 E HN 0.261 nan 8.360 nan 0.000 0.447 416 E N 1.745 121.983 120.200 0.063 0.000 2.114 416 E HA 0.100 4.450 4.350 -0.000 0.000 0.266 416 E C -1.584 175.076 176.600 0.100 0.000 0.896 416 E CA -0.468 55.977 56.400 0.075 0.000 0.750 416 E CB 0.742 30.476 29.700 0.057 0.000 1.121 416 E HN 0.186 nan 8.360 nan 0.000 0.413 417 D N 2.827 123.315 120.400 0.147 0.000 2.443 417 D HA 0.092 4.731 4.640 -0.000 0.000 0.221 417 D C -0.052 176.395 176.300 0.244 0.000 1.097 417 D CA -0.139 53.990 54.000 0.215 0.000 0.865 417 D CB 0.785 41.776 40.800 0.319 0.000 1.034 417 D HN 0.378 nan 8.370 nan 0.000 0.511 418 S N 3.405 119.200 115.700 0.158 0.000 2.597 418 S HA 0.079 4.549 4.470 -0.000 0.000 0.224 418 S C 0.771 175.393 174.600 0.037 0.000 0.955 418 S CA -0.761 57.499 58.200 0.100 0.000 0.933 418 S CB -0.576 62.651 63.200 0.045 0.000 0.788 418 S HN 0.374 nan 8.310 nan 0.000 0.488 419 F N 3.079 122.962 119.950 -0.113 0.000 2.628 419 F HA 0.363 4.890 4.527 -0.000 0.000 0.362 419 F C 0.216 175.764 175.800 -0.420 0.000 1.148 419 F CA -0.102 57.692 58.000 -0.343 0.000 1.352 419 F CB 0.134 38.766 39.000 -0.614 0.000 1.081 419 F HN 0.283 nan 8.300 nan 0.000 0.605 420 A N 6.869 128.722 122.820 -1.611 0.000 2.359 420 A HA 0.621 4.941 4.320 -0.000 0.000 0.303 420 A C -1.934 174.816 177.584 -1.391 0.000 1.066 420 A CA -0.725 50.663 52.037 -1.082 0.000 0.730 420 A CB 1.202 19.858 19.000 -0.572 0.000 1.211 420 A HN 0.775 nan 8.150 nan 0.000 0.439 421 L N 5.098 125.785 121.223 -0.894 0.000 2.280 421 L HA 0.628 4.968 4.340 -0.000 0.000 0.287 421 L C -1.982 174.700 176.870 -0.314 0.000 1.023 421 L CA -1.509 52.984 54.840 -0.579 0.000 0.819 421 L CB 1.004 42.817 42.059 -0.410 0.000 1.212 421 L HN 0.595 nan 8.230 nan 0.000 0.420 422 P HA 0.284 nan 4.420 nan 0.000 0.279 422 P C -0.099 177.144 177.300 -0.095 0.000 1.252 422 P CA -0.440 62.569 63.100 -0.151 0.000 0.811 422 P CB 1.064 32.687 31.700 -0.128 0.000 1.035 423 E N -0.091 120.069 120.200 -0.067 0.000 2.150 423 E HA -0.000 4.350 4.350 -0.000 0.000 0.193 423 E C 0.334 176.912 176.600 -0.036 0.000 0.985 423 E CA 0.951 57.327 56.400 -0.041 0.000 0.814 423 E CB -0.076 29.607 29.700 -0.029 0.000 0.752 423 E HN 0.209 nan 8.360 nan 0.000 0.466 424 V N 2.215 122.106 119.914 -0.039 0.000 2.417 424 V HA 0.058 4.178 4.120 -0.000 0.000 0.291 424 V C 0.789 176.861 176.094 -0.036 0.000 1.024 424 V CA -0.220 62.060 62.300 -0.033 0.000 0.861 424 V CB 1.781 33.594 31.823 -0.017 0.000 0.985 424 V HN 0.031 nan 8.190 nan 0.000 0.436 425 L N 4.242 125.443 121.223 -0.037 0.000 2.200 425 L HA 0.357 4.697 4.340 -0.000 0.000 0.200 425 L C 1.234 178.101 176.870 -0.005 0.000 1.072 425 L CA 1.450 56.273 54.840 -0.029 0.000 0.787 425 L CB 0.396 42.435 42.059 -0.033 0.000 0.957 425 L HN 0.624 nan 8.230 nan 0.000 0.459 426 S N -1.089 114.618 115.700 0.012 0.000 2.456 426 S HA 0.508 4.978 4.470 -0.000 0.000 0.316 426 S C 1.033 175.686 174.600 0.087 0.000 1.089 426 S CA -0.213 58.025 58.200 0.063 0.000 1.101 426 S CB 1.349 64.621 63.200 0.119 0.000 0.995 426 S HN 0.389 nan 8.310 nan 0.000 0.468 427 G N 2.569 111.408 108.800 0.066 0.000 2.403 427 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.216 427 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.216 427 G C 1.555 176.506 174.900 0.085 0.000 1.154 427 G CA 0.930 46.067 45.100 0.062 0.000 0.784 427 G HN 0.907 nan 8.290 nan 0.000 0.538 428 S N -0.425 115.334 115.700 0.097 0.000 2.489 428 S HA 0.167 4.636 4.470 -0.000 0.000 0.228 428 S C 0.861 175.536 174.600 0.125 0.000 0.995 428 S CA -0.518 57.732 58.200 0.084 0.000 0.934 428 S CB -0.353 62.883 63.200 0.059 0.000 0.771 428 S HN 0.161 nan 8.310 nan 0.000 0.522 429 F N 4.195 124.176 119.950 0.051 0.000 2.578 429 F HA 0.385 4.911 4.527 -0.000 0.000 0.376 429 F C 0.440 176.261 175.800 0.035 0.000 1.085 429 F CA -0.340 57.700 58.000 0.068 0.000 1.260 429 F CB 0.482 39.503 39.000 0.035 0.000 1.095 429 F HN -0.006 nan 8.300 nan 0.000 0.573 430 R N 5.025 125.058 120.500 -0.779 0.000 2.476 430 R HA 0.283 4.623 4.340 -0.000 0.000 0.305 430 R C -0.719 175.060 176.300 -0.868 0.000 0.965 430 R CA -1.299 54.471 56.100 -0.550 0.000 0.867 430 R CB 1.446 31.581 30.300 -0.276 0.000 1.176 430 R HN 0.598 nan 8.270 nan 0.000 0.447 431 R N 2.158 122.413 120.500 -0.409 0.000 2.570 431 R HA 0.099 4.439 4.340 -0.000 0.000 0.277 431 R C 0.222 176.431 176.300 -0.151 0.000 1.039 431 R CA 0.384 56.382 56.100 -0.170 0.000 1.065 431 R CB 0.418 30.770 30.300 0.088 0.000 0.964 431 R HN 0.489 nan 8.270 nan 0.000 0.428 432 M N 3.097 122.637 119.600 -0.100 0.000 2.251 432 M HA 0.028 4.508 4.480 -0.000 0.000 0.346 432 M C 0.086 176.361 176.300 -0.041 0.000 1.499 432 M CA 0.386 55.645 55.300 -0.069 0.000 1.128 432 M CB 0.876 33.455 32.600 -0.034 0.000 1.809 432 M HN 0.583 nan 8.290 nan 0.000 0.464 433 S N 2.480 118.143 115.700 -0.062 0.000 2.505 433 S HA 0.039 4.508 4.470 -0.000 0.000 0.276 433 S C 1.333 175.913 174.600 -0.034 0.000 1.274 433 S CA -0.328 57.856 58.200 -0.027 0.000 1.053 433 S CB 0.224 63.405 63.200 -0.032 0.000 0.919 433 S HN 0.697 nan 8.310 nan 0.000 0.490 434 H N 3.591 122.631 119.070 -0.050 0.000 2.518 434 H HA -0.077 4.479 4.556 -0.000 0.000 0.292 434 H C 0.490 175.863 175.328 0.074 0.000 1.068 434 H CA 1.622 57.652 56.048 -0.031 0.000 1.275 434 H CB 0.255 30.026 29.762 0.016 0.000 1.375 434 H HN 0.684 nan 8.280 nan 0.000 0.563 435 D N 0.562 121.004 120.400 0.070 0.000 2.348 435 D HA -0.025 4.615 4.640 -0.000 0.000 0.216 435 D C 0.902 177.183 176.300 -0.031 0.000 0.970 435 D CA 0.161 54.182 54.000 0.036 0.000 0.889 435 D CB 0.189 41.011 40.800 0.036 0.000 0.912 435 D HN 0.397 nan 8.370 nan 0.000 0.524 436 I N 2.940 123.453 120.570 -0.094 0.000 2.662 436 I HA 0.005 4.175 4.170 -0.000 0.000 0.285 436 I C -2.043 174.030 176.117 -0.073 0.000 1.161 436 I CA -1.532 59.662 61.300 -0.176 0.000 1.415 436 I CB 0.092 37.848 38.000 -0.406 0.000 1.385 436 I HN -0.325 nan 8.210 nan 0.000 0.552 437 P HA 0.003 nan 4.420 nan 0.000 0.262 437 P C -0.869 176.426 177.300 -0.009 0.000 1.182 437 P CA 0.613 63.673 63.100 -0.067 0.000 0.761 437 P CB 0.316 31.985 31.700 -0.051 0.000 0.795 438 H N 0.285 119.279 119.070 -0.125 0.000 3.064 438 H HA 0.582 5.138 4.556 -0.000 0.000 0.352 438 H C -0.499 174.733 175.328 -0.160 0.000 1.260 438 H CA -1.123 54.850 56.048 -0.126 0.000 1.160 438 H CB 0.743 30.384 29.762 -0.202 0.000 1.879 438 H HN 0.494 nan 8.280 nan 0.000 0.544 439 G N 0.057 108.835 108.800 -0.037 0.000 2.557 439 G HA2 0.440 4.400 3.960 -0.000 0.000 0.292 439 G HA3 0.440 4.400 3.960 -0.000 0.000 0.292 439 G C -1.255 173.542 174.900 -0.173 0.000 1.237 439 G CA -0.490 44.569 45.100 -0.068 0.000 0.978 439 G HN 0.697 nan 8.290 nan 0.000 0.498 440 H N -0.525 118.542 119.070 -0.004 0.000 2.782 440 H HA 0.504 5.060 4.556 -0.000 0.000 0.347 440 H C -0.275 174.898 175.328 -0.258 0.000 1.038 440 H CA -0.749 55.285 56.048 -0.024 0.000 1.255 440 H CB 1.701 31.471 29.762 0.014 0.000 1.623 440 H HN 0.225 nan 8.280 nan 0.000 0.525 441 R N 2.183 122.474 120.500 -0.348 0.000 2.711 441 R HA 0.448 4.788 4.340 -0.000 0.000 0.284 441 R C -1.262 174.760 176.300 -0.464 0.000 0.968 441 R CA -1.269 54.400 56.100 -0.719 0.000 0.924 441 R CB 2.524 31.785 30.300 -1.733 0.000 1.162 441 R HN 0.406 nan 8.270 nan 0.000 0.465 442 L N 2.931 123.934 121.223 -0.367 0.000 2.319 442 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 442 L C -1.250 175.490 176.870 -0.217 0.000 1.005 442 L CA -0.498 54.155 54.840 -0.312 0.000 0.828 442 L CB 1.152 42.971 42.059 -0.400 0.000 1.227 442 L HN 0.502 nan 8.230 nan 0.000 0.415 443 I N 6.112 126.554 120.570 -0.213 0.000 2.382 443 I HA 0.377 4.547 4.170 -0.000 0.000 0.285 443 I C -0.363 175.773 176.117 0.032 0.000 1.007 443 I CA -0.353 60.938 61.300 -0.015 0.000 1.142 443 I CB 1.761 39.785 38.000 0.039 0.000 1.289 443 I HN 0.239 nan 8.210 nan 0.000 0.453 444 V N 7.255 127.192 119.914 0.039 0.000 2.509 444 V HA 0.386 4.505 4.120 -0.000 0.000 0.284 444 V C 0.118 176.163 176.094 -0.082 0.000 1.047 444 V CA -0.554 61.705 62.300 -0.069 0.000 0.952 444 V CB 1.411 33.159 31.823 -0.125 0.000 0.988 444 V HN 0.429 nan 8.190 nan 0.000 0.469 445 L N 5.223 126.354 121.223 -0.154 0.000 2.287 445 L HA 0.557 4.896 4.340 -0.000 0.000 0.287 445 L C 0.463 177.116 176.870 -0.361 0.000 1.022 445 L CA -0.416 54.293 54.840 -0.218 0.000 0.814 445 L CB 1.645 43.610 42.059 -0.157 0.000 1.217 445 L HN 0.734 nan 8.230 nan 0.000 0.420 446 T N 0.328 114.601 114.554 -0.468 0.000 2.928 446 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 446 T C -2.458 172.100 174.700 -0.237 0.000 1.008 446 T CA -2.078 59.689 62.100 -0.555 0.000 1.057 446 T CB 1.576 69.958 68.868 -0.810 0.000 1.018 446 T HN 0.292 nan 8.240 nan 0.000 0.493 447 P HA 0.223 nan 4.420 nan 0.000 0.272 447 P C -2.121 175.186 177.300 0.011 0.000 1.230 447 P CA -1.483 61.609 63.100 -0.014 0.000 0.788 447 P CB 0.112 31.837 31.700 0.041 0.000 0.949 448 P HA -0.094 nan 4.420 nan 0.000 0.216 448 P C 1.441 178.761 177.300 0.034 0.000 1.153 448 P CA 1.734 64.851 63.100 0.028 0.000 0.848 448 P CB -0.469 31.245 31.700 0.023 0.000 0.787 449 G N -0.957 107.868 108.800 0.041 0.000 3.155 449 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.213 449 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.213 449 G C 0.183 175.128 174.900 0.074 0.000 1.196 449 G CA 0.055 45.181 45.100 0.043 0.000 0.846 449 G HN 0.178 nan 8.290 nan 0.000 0.516 450 T N 0.729 115.351 114.554 0.113 0.000 2.930 450 T HA 0.148 4.498 4.350 -0.000 0.000 0.306 450 T C 0.652 175.463 174.700 0.184 0.000 1.045 450 T CA -0.156 62.049 62.100 0.174 0.000 1.134 450 T CB 1.283 70.287 68.868 0.226 0.000 0.961 450 T HN 0.379 nan 8.240 nan 0.000 0.545 451 K N 1.705 122.208 120.400 0.172 0.000 2.491 451 K HA 0.174 4.494 4.320 -0.000 0.000 0.279 451 K C 1.295 178.007 176.600 0.187 0.000 1.026 451 K CA 0.891 57.264 56.287 0.144 0.000 1.070 451 K CB -0.426 32.137 32.500 0.105 0.000 0.887 451 K HN 0.884 nan 8.250 nan 0.000 0.481 452 G N 2.350 111.232 108.800 0.137 0.000 2.179 452 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.260 452 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.260 452 G C 0.582 175.582 174.900 0.165 0.000 0.977 452 G CA 0.679 45.857 45.100 0.130 0.000 0.641 452 G HN 0.835 nan 8.290 nan 0.000 0.533 453 S N -0.270 115.548 115.700 0.196 0.000 2.548 453 S HA 0.419 4.889 4.470 -0.000 0.000 0.215 453 S C 2.124 176.853 174.600 0.215 0.000 0.976 453 S CA 1.265 59.600 58.200 0.224 0.000 0.908 453 S CB 0.219 63.560 63.200 0.236 0.000 0.781 453 S HN 2.302 nan 8.310 nan 0.000 0.519 454 G N 0.928 109.817 108.800 0.148 0.000 2.179 454 G HA2 0.042 4.002 3.960 -0.000 0.000 0.257 454 G HA3 0.042 4.002 3.960 -0.000 0.000 0.257 454 G C 1.082 175.945 174.900 -0.061 0.000 1.010 454 G CA 0.356 45.525 45.100 0.115 0.000 0.736 454 G HN 1.870 nan 8.290 nan 0.000 0.513 455 G N -1.636 107.121 108.800 -0.072 0.000 2.159 455 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 455 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 455 G C 0.133 174.852 174.900 -0.300 0.000 0.977 455 G CA 0.786 45.775 45.100 -0.185 0.000 0.652 455 G HN 1.368 nan 8.290 nan 0.000 0.531 456 H N 0.815 119.929 119.070 0.073 0.000 2.472 456 H HA 0.398 4.954 4.556 -0.000 0.000 0.338 456 H C -2.262 173.077 175.328 0.019 0.000 1.133 456 H CA -1.587 54.493 56.048 0.054 0.000 1.216 456 H CB 1.874 31.676 29.762 0.067 0.000 1.497 456 H HN 0.157 nan 8.280 nan 0.000 0.500 457 P HA 0.067 nan 4.420 nan 0.000 0.269 457 P C -0.359 176.922 177.300 -0.031 0.000 1.209 457 P CA 0.125 63.201 63.100 -0.040 0.000 0.776 457 P CB 1.521 33.142 31.700 -0.132 0.000 0.876 458 E N 0.853 121.021 120.200 -0.053 0.000 2.392 458 E HA 0.498 4.848 4.350 -0.000 0.000 0.269 458 E C -0.519 176.091 176.600 0.017 0.000 0.924 458 E CA -1.032 55.403 56.400 0.057 0.000 0.784 458 E CB 1.781 31.655 29.700 0.291 0.000 1.292 458 E HN 0.357 nan 8.360 nan 0.000 0.447 459 I N 1.799 122.456 120.570 0.145 0.000 2.325 459 I HA 0.191 4.360 4.170 -0.000 0.000 0.291 459 I C -0.914 175.464 176.117 0.435 0.000 1.019 459 I CA -0.300 61.131 61.300 0.217 0.000 1.302 459 I CB 0.467 38.598 38.000 0.219 0.000 1.401 459 I HN 0.241 nan 8.210 nan 0.000 0.485 460 W N 5.422 126.744 121.300 0.036 0.000 2.417 460 W HA 0.418 5.077 4.660 -0.000 0.000 0.315 460 W C 0.000 176.545 176.519 0.043 0.000 1.045 460 W CA -1.009 56.353 57.345 0.029 0.000 1.221 460 W CB 0.665 30.131 29.460 0.010 0.000 1.309 460 W HN 0.395 nan 8.180 nan 0.000 0.453 461 E N 3.311 123.637 120.200 0.211 0.000 2.289 461 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 461 E C -0.032 176.654 176.600 0.143 0.000 1.032 461 E CA -0.345 56.157 56.400 0.170 0.000 0.854 461 E CB 0.910 30.655 29.700 0.074 0.000 1.046 461 E HN 0.057 nan 8.360 nan 0.000 0.409 462 M N 1.830 121.508 119.600 0.130 0.000 2.383 462 M HA 0.494 4.974 4.480 -0.000 0.000 0.325 462 M C -0.603 175.779 176.300 0.137 0.000 1.092 462 M CA -0.900 54.470 55.300 0.117 0.000 0.961 462 M CB 1.592 34.206 32.600 0.024 0.000 1.672 462 M HN 0.497 nan 8.290 nan 0.000 0.438 463 A N 1.981 124.906 122.820 0.174 0.000 2.330 463 A HA 0.529 4.849 4.320 -0.000 0.000 0.327 463 A C -0.235 177.493 177.584 0.240 0.000 1.155 463 A CA -0.646 51.491 52.037 0.168 0.000 0.803 463 A CB 0.680 19.737 19.000 0.095 0.000 1.208 463 A HN 0.853 nan 8.150 nan 0.000 0.477 464 E N 2.176 122.505 120.200 0.214 0.000 2.351 464 E HA 0.284 4.634 4.350 -0.000 0.000 0.266 464 E C -0.672 175.896 176.600 -0.053 0.000 1.031 464 E CA -0.186 56.202 56.400 -0.019 0.000 0.911 464 E CB 0.433 30.086 29.700 -0.078 0.000 0.986 464 E HN 0.403 nan 8.360 nan 0.000 0.446 465 V N 5.582 125.437 119.914 -0.098 0.000 2.521 465 V HA 0.081 4.201 4.120 -0.000 0.000 0.286 465 V C 0.335 176.382 176.094 -0.080 0.000 1.034 465 V CA 0.446 62.709 62.300 -0.061 0.000 1.045 465 V CB 0.801 32.596 31.823 -0.046 0.000 0.974 465 V HN 0.776 nan 8.190 nan 0.000 0.480 473 V N 2.387 122.314 119.914 0.023 0.000 2.567 473 V HA 0.154 4.273 4.120 -0.000 0.000 0.248 473 V C -2.550 173.558 176.094 0.023 0.000 1.849 473 V CA -1.138 61.180 62.300 0.030 0.000 0.767 473 V CB 1.373 33.215 31.823 0.032 0.000 1.318 473 V HN 0.196 nan 8.190 nan 0.000 0.499 474 P HA 0.918 nan 4.420 nan 0.000 0.281 474 P C -0.841 176.476 177.300 0.029 0.000 1.249 474 P CA -0.309 62.809 63.100 0.030 0.000 0.810 474 P CB 2.036 33.748 31.700 0.020 0.000 1.008 475 A N 0.412 123.257 122.820 0.042 0.000 2.604 475 A HA 0.399 4.719 4.320 -0.000 0.000 0.295 475 A C -0.555 177.067 177.584 0.063 0.000 1.067 475 A CA -0.804 51.258 52.037 0.041 0.000 0.683 475 A CB 0.989 20.011 19.000 0.036 0.000 1.281 475 A HN 0.678 nan 8.150 nan 0.000 0.407 476 E N 0.532 120.763 120.200 0.051 0.000 2.465 476 E HA 0.353 4.702 4.350 -0.000 0.000 0.260 476 E C 1.197 177.840 176.600 0.073 0.000 0.980 476 E CA 1.268 57.711 56.400 0.071 0.000 0.927 476 E CB 0.153 29.877 29.700 0.040 0.000 0.934 476 E HN 2.138 nan 8.360 nan 0.000 0.459 477 G N 2.672 111.556 108.800 0.139 0.000 2.179 477 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.260 477 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.260 477 G C -0.013 174.993 174.900 0.177 0.000 0.977 477 G CA 0.177 45.304 45.100 0.045 0.000 0.641 477 G HN 0.523 nan 8.290 nan 0.000 0.533 478 V N 1.723 121.764 119.914 0.212 0.000 2.370 478 V HA 0.694 4.814 4.120 -0.000 0.000 0.283 478 V C 0.361 176.618 176.094 0.271 0.000 1.023 478 V CA -0.529 61.893 62.300 0.203 0.000 0.857 478 V CB 1.628 33.524 31.823 0.122 0.000 0.985 478 V HN 0.303 nan 8.190 nan 0.000 0.443 479 I N 4.601 125.348 120.570 0.296 0.000 2.498 479 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 479 I C -0.307 175.979 176.117 0.282 0.000 1.032 479 I CA -0.520 60.965 61.300 0.309 0.000 1.073 479 I CB 2.210 40.392 38.000 0.303 0.000 1.251 479 I HN 0.551 nan 8.210 nan 0.000 0.426 480 Q N 4.518 124.452 119.800 0.225 0.000 2.235 480 Q HA 0.703 5.043 4.340 -0.000 0.000 0.256 480 Q C -1.247 174.881 176.000 0.213 0.000 0.951 480 Q CA -0.808 55.113 55.803 0.196 0.000 0.890 480 Q CB 3.193 32.005 28.738 0.123 0.000 1.279 480 Q HN 0.389 nan 8.270 nan 0.000 0.444 481 V N 1.427 121.487 119.914 0.244 0.000 2.638 481 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 481 V C -0.578 175.641 176.094 0.208 0.000 1.052 481 V CA -0.778 61.666 62.300 0.240 0.000 0.885 481 V CB 2.159 34.133 31.823 0.253 0.000 0.999 481 V HN 0.775 nan 8.190 nan 0.000 0.424 482 T N 3.769 118.439 114.554 0.195 0.000 2.758 482 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 482 T C 0.578 175.367 174.700 0.148 0.000 0.981 482 T CA -0.073 62.110 62.100 0.138 0.000 0.965 482 T CB 1.493 70.417 68.868 0.093 0.000 0.927 482 T HN 0.943 nan 8.240 nan 0.000 0.448 483 G N 1.148 110.020 108.800 0.119 0.000 2.510 483 G HA2 0.530 4.490 3.960 -0.000 0.000 0.280 483 G HA3 0.530 4.490 3.960 -0.000 0.000 0.280 483 G C 1.235 176.142 174.900 0.011 0.000 1.386 483 G CA -0.217 44.934 45.100 0.085 0.000 1.047 483 G HN 0.747 nan 8.290 nan 0.000 0.527 484 A N -0.230 122.585 122.820 -0.009 0.000 1.972 484 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 484 A C 1.838 179.415 177.584 -0.012 0.000 1.169 484 A CA 2.265 54.285 52.037 -0.029 0.000 0.635 484 A CB -0.487 18.495 19.000 -0.029 0.000 0.810 484 A HN 0.611 nan 8.150 nan 0.000 0.446 485 D N -1.965 118.436 120.400 0.002 0.000 2.349 485 D HA 0.254 4.894 4.640 -0.000 0.000 0.224 485 D C 1.184 177.489 176.300 0.007 0.000 1.029 485 D CA 0.910 54.913 54.000 0.004 0.000 0.879 485 D CB -0.703 40.102 40.800 0.008 0.000 0.906 485 D HN 0.766 nan 8.370 nan 0.000 0.528 486 G N 0.438 109.243 108.800 0.009 0.000 2.179 486 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.260 486 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.260 486 G C 0.361 175.274 174.900 0.021 0.000 0.977 486 G CA 0.137 45.245 45.100 0.013 0.000 0.641 486 G HN 0.642 nan 8.290 nan 0.000 0.533 487 R N 0.978 121.493 120.500 0.025 0.000 2.390 487 R HA 0.528 4.867 4.340 -0.000 0.000 0.291 487 R C -0.233 176.092 176.300 0.041 0.000 1.070 487 R CA 0.296 56.411 56.100 0.026 0.000 1.014 487 R CB 0.440 30.751 30.300 0.019 0.000 1.007 487 R HN 0.081 nan 8.270 nan 0.000 0.466 488 T N 5.238 119.811 114.554 0.030 0.000 2.744 488 T HA 0.310 4.659 4.350 -0.000 0.000 0.291 488 T C -0.552 174.148 174.700 0.001 0.000 0.957 488 T CA -0.561 61.562 62.100 0.038 0.000 1.002 488 T CB 0.871 69.760 68.868 0.035 0.000 0.919 488 T HN 0.461 nan 8.240 nan 0.000 0.468 489 K N 1.843 122.242 120.400 -0.002 0.000 2.281 489 K HA 0.668 4.988 4.320 -0.000 0.000 0.242 489 K C -0.494 175.966 176.600 -0.234 0.000 0.971 489 K CA -0.930 55.259 56.287 -0.164 0.000 0.834 489 K CB 1.835 34.175 32.500 -0.267 0.000 1.181 489 K HN 0.363 nan 8.250 nan 0.000 0.435 490 T N 1.714 116.024 114.554 -0.407 0.000 2.812 490 T HA 0.451 4.800 4.350 -0.000 0.000 0.282 490 T C -1.301 173.133 174.700 -0.443 0.000 0.990 490 T CA -0.577 61.372 62.100 -0.253 0.000 0.960 490 T CB 0.255 69.055 68.868 -0.112 0.000 0.948 490 T HN 0.298 nan 8.240 nan 0.000 0.438 491 Y N 1.160 121.492 120.300 0.054 0.000 2.524 491 Y HA 0.696 5.246 4.550 -0.000 0.000 0.344 491 Y C 0.387 176.330 175.900 0.072 0.000 1.012 491 Y CA -1.345 56.788 58.100 0.055 0.000 1.068 491 Y CB 1.764 40.260 38.460 0.059 0.000 1.249 491 Y HN 0.425 nan 8.280 nan 0.000 0.468 492 R N 1.888 122.518 120.500 0.217 0.000 2.534 492 R HA 0.446 4.786 4.340 -0.000 0.000 0.301 492 R C -0.733 175.634 176.300 0.112 0.000 0.961 492 R CA -0.951 55.229 56.100 0.133 0.000 0.871 492 R CB 1.233 31.574 30.300 0.068 0.000 1.170 492 R HN 0.819 nan 8.270 nan 0.000 0.446 493 R N 2.107 122.640 120.500 0.056 0.000 2.484 493 R HA 0.001 4.340 4.340 -0.000 0.000 0.293 493 R C -0.004 176.238 176.300 -0.097 0.000 1.023 493 R CA 1.045 57.107 56.100 -0.064 0.000 1.037 493 R CB 0.558 30.625 30.300 -0.389 0.000 0.951 493 R HN 0.882 nan 8.270 nan 0.000 0.418 494 T N 0.444 114.959 114.554 -0.065 0.000 2.975 494 T HA 0.405 4.755 4.350 -0.000 0.000 0.257 494 T C 0.072 174.716 174.700 -0.093 0.000 1.003 494 T CA 0.137 62.202 62.100 -0.058 0.000 0.932 494 T CB 0.742 69.611 68.868 0.000 0.000 1.087 494 T HN 0.570 nan 8.240 nan 0.000 0.512 495 A N 1.681 124.426 122.820 -0.126 0.000 2.594 495 A HA 0.725 5.045 4.320 -0.000 0.000 0.296 495 A C 0.166 177.656 177.584 -0.155 0.000 1.061 495 A CA -0.942 51.015 52.037 -0.133 0.000 0.689 495 A CB 1.181 20.115 19.000 -0.111 0.000 1.280 495 A HN 0.330 nan 8.150 nan 0.000 0.406 496 R N 0.001 120.418 120.500 -0.139 0.000 2.544 496 R HA 0.429 4.769 4.340 -0.000 0.000 0.303 496 R C 0.132 176.479 176.300 0.078 0.000 0.939 496 R CA 0.718 56.765 56.100 -0.089 0.000 1.102 496 R CB 0.919 31.059 30.300 -0.266 0.000 1.440 496 R HN 0.690 nan 8.270 nan 0.000 0.532 497 T N -1.177 113.392 114.554 0.026 0.000 2.792 497 T HA 0.206 4.555 4.350 -0.000 0.000 0.303 497 T C -0.415 174.309 174.700 0.040 0.000 1.310 497 T CA -0.780 61.357 62.100 0.062 0.000 1.007 497 T CB 1.150 70.056 68.868 0.064 0.000 1.335 497 T HN 0.109 nan 8.240 nan 0.000 0.504 498 F N 2.768 122.686 119.950 -0.053 0.000 2.063 498 F HA -0.118 4.409 4.527 -0.001 0.000 0.298 498 F C 1.660 177.433 175.800 -0.046 0.000 1.109 498 F CA 2.307 60.262 58.000 -0.075 0.000 1.212 498 F CB -0.048 38.897 39.000 -0.092 0.000 0.973 498 F HN 0.668 nan 8.300 nan 0.000 0.480 499 N N 0.005 118.589 118.700 -0.192 0.000 2.383 499 N HA -0.031 4.709 4.740 -0.000 0.000 0.192 499 N C -0.540 174.860 175.510 -0.184 0.000 1.141 499 N CA -0.213 52.668 53.050 -0.281 0.000 0.851 499 N CB -0.132 38.309 38.487 -0.076 0.000 0.976 499 N HN 0.207 nan 8.380 nan 0.000 0.465 500 D N 0.591 120.900 120.400 -0.151 0.000 2.390 500 D HA 0.019 4.659 4.640 -0.000 0.000 0.236 500 D C 1.045 177.257 176.300 -0.147 0.000 1.189 500 D CA 0.327 54.253 54.000 -0.124 0.000 0.887 500 D CB 0.419 41.154 40.800 -0.109 0.000 1.198 500 D HN 0.150 nan 8.370 nan 0.000 0.444 501 G N 0.341 109.077 108.800 -0.107 0.000 2.460 501 G HA2 0.089 4.049 3.960 -0.000 0.000 0.230 501 G HA3 0.089 4.049 3.960 -0.000 0.000 0.230 501 G C 0.153 174.991 174.900 -0.103 0.000 1.248 501 G CA -0.369 44.676 45.100 -0.093 0.000 0.863 501 G HN 0.439 nan 8.290 nan 0.000 0.549 502 L N 2.396 123.569 121.223 -0.083 0.000 2.485 502 L HA 0.486 4.826 4.340 -0.000 0.000 0.275 502 L C 1.289 178.135 176.870 -0.040 0.000 1.207 502 L CA 1.337 56.138 54.840 -0.065 0.000 0.855 502 L CB 1.009 43.055 42.059 -0.022 0.000 1.114 502 L HN 0.490 nan 8.230 nan 0.000 0.485 503 G N 3.800 112.556 108.800 -0.073 0.000 2.763 503 G HA2 0.085 4.044 3.960 -0.000 0.000 0.205 503 G HA3 0.085 4.044 3.960 -0.000 0.000 0.205 503 G C -0.101 174.962 174.900 0.272 0.000 1.137 503 G CA -0.162 44.945 45.100 0.012 0.000 0.839 503 G HN 0.439 nan 8.290 nan 0.000 0.596 504 F N 2.474 122.482 119.950 0.096 0.000 2.371 504 F HA 0.572 5.099 4.527 -0.000 0.000 0.363 504 F C 0.040 175.934 175.800 0.156 0.000 1.122 504 F CA -1.416 56.630 58.000 0.077 0.000 1.129 504 F CB 0.846 39.867 39.000 0.034 0.000 1.173 504 F HN -0.271 nan 8.300 nan 0.000 0.489 505 T N 5.402 120.122 114.554 0.276 0.000 2.779 505 T HA 0.728 5.077 4.350 -0.000 0.000 0.280 505 T C -0.146 174.633 174.700 0.132 0.000 0.987 505 T CA -0.399 61.823 62.100 0.204 0.000 0.966 505 T CB 1.228 70.175 68.868 0.133 0.000 0.933 505 T HN 0.307 nan 8.240 nan 0.000 0.442 506 I N 1.804 122.455 120.570 0.136 0.000 2.533 506 I HA 0.476 4.646 4.170 -0.000 0.000 0.290 506 I C 0.757 176.931 176.117 0.096 0.000 1.056 506 I CA -1.095 60.225 61.300 0.032 0.000 1.057 506 I CB 2.043 39.947 38.000 -0.160 0.000 1.240 506 I HN 0.720 nan 8.210 nan 0.000 0.423 507 G N 4.331 113.175 108.800 0.075 0.000 2.364 507 G HA2 0.103 4.063 3.960 -0.000 0.000 0.267 507 G HA3 0.103 4.063 3.960 -0.000 0.000 0.267 507 G C -0.059 174.931 174.900 0.150 0.000 1.233 507 G CA -0.220 44.949 45.100 0.116 0.000 0.885 507 G HN 0.625 nan 8.290 nan 0.000 0.490 508 E N 1.408 121.739 120.200 0.219 0.000 2.502 508 E HA 0.175 4.524 4.350 -0.000 0.000 0.261 508 E C 1.416 178.100 176.600 0.139 0.000 0.974 508 E CA 1.478 58.006 56.400 0.214 0.000 0.936 508 E CB 0.580 30.473 29.700 0.321 0.000 0.926 508 E HN 1.061 nan 8.360 nan 0.000 0.459 509 G N 3.234 112.082 108.800 0.081 0.000 2.195 509 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.246 509 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.246 509 G C 0.529 175.434 174.900 0.008 0.000 0.984 509 G CA 0.681 45.796 45.100 0.025 0.000 0.633 509 G HN 0.800 nan 8.290 nan 0.000 0.525 510 T N -1.647 112.942 114.554 0.059 0.000 2.788 510 T HA 0.638 4.987 4.350 -0.000 0.000 0.280 510 T C -0.039 174.680 174.700 0.031 0.000 0.984 510 T CA -0.046 62.111 62.100 0.095 0.000 0.972 510 T CB 1.610 70.545 68.868 0.110 0.000 1.039 510 T HN 0.381 nan 8.240 nan 0.000 0.530 511 H N -0.542 118.591 119.070 0.106 0.000 2.524 511 H HA 0.640 5.196 4.556 -0.000 0.000 0.353 511 H C -0.313 175.109 175.328 0.157 0.000 1.136 511 H CA -0.710 55.401 56.048 0.106 0.000 1.193 511 H CB 1.405 31.183 29.762 0.026 0.000 1.558 511 H HN 0.677 nan 8.280 nan 0.000 0.515 512 E N 1.273 121.677 120.200 0.340 0.000 2.314 512 E HA 0.166 4.515 4.350 -0.000 0.000 0.272 512 E C -1.065 175.693 176.600 0.262 0.000 0.884 512 E CA -0.998 55.590 56.400 0.312 0.000 0.753 512 E CB 3.016 32.994 29.700 0.463 0.000 1.213 512 E HN 0.498 nan 8.360 nan 0.000 0.432 513 Q N 2.798 122.670 119.800 0.119 0.000 2.257 513 Q HA 0.252 4.591 4.340 -0.000 0.000 0.255 513 Q C -1.461 174.728 176.000 0.314 0.000 0.920 513 Q CA -0.619 55.259 55.803 0.125 0.000 0.927 513 Q CB 0.828 29.543 28.738 -0.038 0.000 1.229 513 Q HN 0.403 nan 8.270 nan 0.000 0.433 514 W N 2.114 123.322 121.300 -0.153 0.000 2.573 514 W HA 0.407 5.067 4.660 -0.000 0.000 0.326 514 W C -0.569 175.704 176.519 -0.410 0.000 1.049 514 W CA -0.634 56.490 57.345 -0.367 0.000 1.220 514 W CB 2.092 31.207 29.460 -0.574 0.000 1.373 514 W HN 0.442 nan 8.180 nan 0.000 0.507 515 T N 3.942 118.356 114.554 -0.234 0.000 2.779 515 T HA 0.486 4.835 4.350 -0.000 0.000 0.280 515 T C -0.947 173.539 174.700 -0.356 0.000 0.987 515 T CA -0.425 61.547 62.100 -0.213 0.000 0.966 515 T CB 0.297 69.102 68.868 -0.105 0.000 0.933 515 T HN -0.022 nan 8.240 nan 0.000 0.442 516 F N 3.215 123.160 119.950 -0.008 0.000 2.385 516 F HA 0.487 5.014 4.527 -0.000 0.000 0.360 516 F C -0.012 175.752 175.800 -0.060 0.000 1.122 516 F CA -1.034 56.962 58.000 -0.006 0.000 1.090 516 F CB 0.967 39.995 39.000 0.047 0.000 1.150 516 F HN 0.247 nan 8.300 nan 0.000 0.472 517 L N 5.397 126.634 121.223 0.023 0.000 2.301 517 L HA 0.423 4.763 4.340 -0.000 0.000 0.278 517 L C -0.584 176.213 176.870 -0.123 0.000 1.022 517 L CA -0.450 54.305 54.840 -0.143 0.000 0.854 517 L CB 0.352 42.225 42.059 -0.310 0.000 1.226 517 L HN 0.435 nan 8.230 nan 0.000 0.429 518 N N 4.673 123.337 118.700 -0.060 0.000 2.406 518 N HA 0.199 4.939 4.740 -0.000 0.000 0.251 518 N C 0.489 175.938 175.510 -0.102 0.000 1.069 518 N CA -0.085 52.944 53.050 -0.036 0.000 0.947 518 N CB 0.831 39.363 38.487 0.075 0.000 1.111 518 N HN 0.737 nan 8.380 nan 0.000 0.497 519 L N 1.246 122.351 121.223 -0.196 0.000 2.558 519 L HA 0.096 4.436 4.340 -0.000 0.000 0.225 519 L C 0.955 177.760 176.870 -0.108 0.000 1.128 519 L CA 0.046 54.754 54.840 -0.220 0.000 0.868 519 L CB -0.397 41.367 42.059 -0.493 0.000 1.006 519 L HN 0.461 nan 8.230 nan 0.000 0.454 520 S N -0.928 114.739 115.700 -0.054 0.000 2.747 520 S HA 0.447 4.917 4.470 -0.000 0.000 0.300 520 S C -2.026 172.583 174.600 0.016 0.000 1.121 520 S CA -1.255 56.943 58.200 -0.003 0.000 0.995 520 S CB 1.403 64.617 63.200 0.023 0.000 1.113 520 S HN -0.161 nan 8.310 nan 0.000 0.547 521 P HA 0.284 nan 4.420 nan 0.000 0.249 521 P C -0.174 177.116 177.300 -0.016 0.000 1.229 521 P CA 0.165 63.269 63.100 0.006 0.000 0.788 521 P CB -0.155 31.548 31.700 0.006 0.000 1.072 522 I N 1.225 121.773 120.570 -0.036 0.000 2.352 522 I HA 0.137 4.307 4.170 -0.000 0.000 0.290 522 I C 0.868 176.836 176.117 -0.248 0.000 1.036 522 I CA -0.857 60.363 61.300 -0.133 0.000 1.336 522 I CB 1.179 39.085 38.000 -0.157 0.000 1.407 522 I HN -0.126 nan 8.210 nan 0.000 0.497 523 L N 7.591 128.703 121.223 -0.185 0.000 2.361 523 L HA 0.220 4.559 4.340 -0.000 0.000 0.278 523 L C -0.471 176.285 176.870 -0.190 0.000 1.113 523 L CA -0.137 54.636 54.840 -0.112 0.000 0.849 523 L CB -0.092 41.955 42.059 -0.020 0.000 1.155 523 L HN 0.555 nan 8.230 nan 0.000 0.452 524 H N 5.778 124.906 119.070 0.097 0.000 2.511 524 H HA 0.358 4.913 4.556 -0.000 0.000 0.328 524 H C -2.353 173.026 175.328 0.086 0.000 1.044 524 H CA -2.142 53.975 56.048 0.115 0.000 1.212 524 H CB 1.479 31.298 29.762 0.095 0.000 1.428 524 H HN 0.432 nan 8.280 nan 0.000 0.483 525 P HA 0.124 nan 4.420 nan 0.000 0.288 525 P C -0.094 177.288 177.300 0.136 0.000 1.363 525 P CA -0.461 62.730 63.100 0.153 0.000 0.837 525 P CB 0.526 32.313 31.700 0.146 0.000 0.981 526 M N 3.445 123.065 119.600 0.034 0.000 2.233 526 M HA 0.275 4.755 4.480 -0.000 0.000 0.355 526 M C 0.069 176.379 176.300 0.016 0.000 1.191 526 M CA -0.313 54.942 55.300 -0.076 0.000 1.101 526 M CB 0.273 32.512 32.600 -0.603 0.000 1.592 526 M HN 0.448 nan 8.290 nan 0.000 0.461 527 H N 2.683 121.716 119.070 -0.061 0.000 2.589 527 H HA 0.672 5.228 4.556 -0.000 0.000 0.351 527 H C -1.702 173.710 175.328 0.141 0.000 1.074 527 H CA -0.511 55.515 56.048 -0.037 0.000 1.203 527 H CB 1.048 30.816 29.762 0.010 0.000 1.558 527 H HN 0.678 nan 8.280 nan 0.000 0.522 528 I N 5.492 125.865 120.570 -0.327 0.000 2.378 528 I HA 0.232 4.402 4.170 -0.000 0.000 0.291 528 I C 0.562 176.553 176.117 -0.210 0.000 0.992 528 I CA -0.621 60.608 61.300 -0.118 0.000 1.154 528 I CB 1.199 39.059 38.000 -0.233 0.000 1.315 528 I HN 0.625 nan 8.210 nan 0.000 0.448 529 H N 4.309 123.340 119.070 -0.066 0.000 2.654 529 H HA 0.123 4.678 4.556 -0.000 0.000 0.376 529 H C 0.920 176.292 175.328 0.073 0.000 1.503 529 H CA -0.414 55.661 56.048 0.045 0.000 1.464 529 H CB 0.867 30.748 29.762 0.198 0.000 1.565 529 H HN 0.624 nan 8.280 nan 0.000 0.614 530 L N -0.791 120.429 121.223 -0.004 0.000 3.461 530 L HA -0.352 3.988 4.340 -0.000 0.000 0.094 530 L C 0.205 176.987 176.870 -0.148 0.000 4.424 530 L CA 2.311 57.002 54.840 -0.250 0.000 0.523 530 L CB -1.583 40.118 42.059 -0.596 0.000 3.542 530 L HN 0.735 nan 8.230 nan 0.000 0.792 531 A N 0.160 122.892 122.820 -0.146 0.000 2.264 531 A HA 0.574 4.893 4.320 -0.000 0.000 0.304 531 A C -0.447 177.041 177.584 -0.161 0.000 1.100 531 A CA 0.095 51.906 52.037 -0.377 0.000 0.839 531 A CB 0.201 18.526 19.000 -1.126 0.000 1.121 531 A HN 0.431 nan 8.150 nan 0.000 0.496 532 D N 0.031 120.284 120.400 -0.245 0.000 2.210 532 D HA 0.577 5.217 4.640 -0.000 0.000 0.249 532 D C -1.087 175.042 176.300 -0.285 0.000 1.078 532 D CA 0.685 54.672 54.000 -0.022 0.000 0.875 532 D CB 1.031 41.870 40.800 0.064 0.000 1.175 532 D HN 0.273 nan 8.370 nan 0.000 0.440 533 F N 0.334 120.376 119.950 0.154 0.000 2.598 533 F HA 0.359 4.886 4.527 -0.000 0.000 0.327 533 F C 0.511 176.440 175.800 0.215 0.000 1.057 533 F CA -0.810 57.270 58.000 0.132 0.000 0.957 533 F CB 1.516 40.627 39.000 0.185 0.000 1.278 533 F HN -0.017 nan 8.300 nan 0.000 0.484 534 Q N 0.617 120.601 119.800 0.308 0.000 2.375 534 Q HA 0.558 4.898 4.340 -0.000 0.000 0.271 534 Q C -1.360 174.728 176.000 0.146 0.000 1.074 534 Q CA -1.152 54.786 55.803 0.225 0.000 0.808 534 Q CB 3.022 31.846 28.738 0.144 0.000 1.327 534 Q HN 0.349 nan 8.270 nan 0.000 0.441 535 V N 3.988 123.978 119.914 0.126 0.000 2.521 535 V HA -0.000 4.120 4.120 -0.000 0.000 0.286 535 V C 1.036 177.162 176.094 0.055 0.000 1.034 535 V CA 0.533 62.862 62.300 0.048 0.000 1.045 535 V CB 0.346 32.219 31.823 0.083 0.000 0.974 535 V HN 0.782 nan 8.190 nan 0.000 0.480 536 L N 3.805 125.048 121.223 0.034 0.000 2.316 536 L HA 0.461 4.801 4.340 -0.000 0.000 0.207 536 L C 1.051 177.942 176.870 0.035 0.000 1.070 536 L CA 0.906 55.771 54.840 0.042 0.000 0.820 536 L CB 0.148 42.235 42.059 0.046 0.000 0.992 536 L HN 0.816 nan 8.230 nan 0.000 0.466 537 G N -0.168 108.653 108.800 0.035 0.000 2.579 537 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 537 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 537 G C -1.554 173.380 174.900 0.056 0.000 1.484 537 G CA -0.682 44.442 45.100 0.040 0.000 0.813 537 G HN -0.114 nan 8.290 nan 0.000 0.515 538 R N 0.232 120.769 120.500 0.062 0.000 2.744 538 R HA 0.662 5.002 4.340 -0.000 0.000 0.279 538 R C -1.696 174.652 176.300 0.079 0.000 0.977 538 R CA -0.949 55.202 56.100 0.085 0.000 0.906 538 R CB 2.679 33.029 30.300 0.083 0.000 1.197 538 R HN 0.490 nan 8.270 nan 0.000 0.463 539 D N 0.763 121.235 120.400 0.121 0.000 2.990 539 D HA 0.276 4.916 4.640 -0.000 0.000 0.227 539 D C -0.995 175.363 176.300 0.097 0.000 1.249 539 D CA -0.497 53.538 54.000 0.058 0.000 0.891 539 D CB 2.312 43.118 40.800 0.009 0.000 1.647 539 D HN 0.589 nan 8.370 nan 0.000 0.530 540 A N 2.022 124.839 122.820 -0.005 0.000 2.351 540 A HA 0.559 4.879 4.320 -0.000 0.000 0.257 540 A C -1.181 176.342 177.584 -0.101 0.000 1.087 540 A CA 0.092 52.149 52.037 0.034 0.000 0.798 540 A CB 0.351 19.356 19.000 0.009 0.000 1.033 540 A HN 0.528 nan 8.150 nan 0.000 0.488 541 Y N -0.337 119.977 120.300 0.022 0.000 2.524 541 Y HA 0.377 4.926 4.550 -0.000 0.000 0.347 541 Y C -0.349 175.566 175.900 0.025 0.000 1.005 541 Y CA -0.719 57.395 58.100 0.023 0.000 1.025 541 Y CB 2.100 40.572 38.460 0.019 0.000 1.275 541 Y HN 0.741 nan 8.280 nan 0.000 0.460 542 D N 1.777 122.275 120.400 0.164 0.000 2.313 542 D HA 0.433 5.072 4.640 -0.000 0.000 0.239 542 D C -0.136 176.257 176.300 0.155 0.000 1.142 542 D CA -0.061 54.015 54.000 0.125 0.000 0.847 542 D CB 1.561 42.409 40.800 0.080 0.000 1.082 542 D HN 0.649 nan 8.370 nan 0.000 0.480 543 A N 2.856 125.754 122.820 0.131 0.000 2.465 543 A HA 0.106 4.425 4.320 -0.000 0.000 0.255 543 A C 1.732 179.403 177.584 0.145 0.000 1.274 543 A CA 0.316 52.428 52.037 0.126 0.000 0.920 543 A CB -0.267 18.775 19.000 0.069 0.000 1.033 543 A HN 0.530 nan 8.150 nan 0.000 0.516 544 S N -0.693 115.076 115.700 0.115 0.000 2.442 544 S HA -0.050 4.420 4.470 -0.000 0.000 0.236 544 S C 1.820 176.480 174.600 0.100 0.000 1.007 544 S CA 1.217 59.476 58.200 0.099 0.000 0.965 544 S CB -0.678 62.563 63.200 0.068 0.000 0.773 544 S HN 0.625 nan 8.310 nan 0.000 0.504 545 G N 0.489 109.359 108.800 0.116 0.000 2.509 545 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.218 545 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.218 545 G C 0.224 175.203 174.900 0.131 0.000 1.124 545 G CA -0.131 45.034 45.100 0.108 0.000 0.776 545 G HN 0.585 nan 8.290 nan 0.000 0.547 546 F N 1.944 121.910 119.950 0.027 0.000 2.472 546 F HA 0.317 4.844 4.527 -0.000 0.000 0.364 546 F C -0.225 175.584 175.800 0.015 0.000 1.090 546 F CA -1.194 56.816 58.000 0.016 0.000 1.188 546 F CB 0.842 39.831 39.000 -0.018 0.000 1.105 546 F HN -0.104 nan 8.300 nan 0.000 0.536 547 D N 6.678 126.690 120.400 -0.647 0.000 2.373 547 D HA 0.107 4.747 4.640 -0.000 0.000 0.227 547 D C 0.882 176.787 176.300 -0.660 0.000 1.091 547 D CA -0.300 53.425 54.000 -0.458 0.000 0.840 547 D CB 1.326 41.980 40.800 -0.244 0.000 1.060 547 D HN 0.598 nan 8.370 nan 0.000 0.502 548 L N 4.053 125.043 121.223 -0.389 0.000 2.042 548 L HA -0.157 4.182 4.340 -0.000 0.000 0.210 548 L C 2.478 179.273 176.870 -0.125 0.000 1.076 548 L CA 1.918 56.631 54.840 -0.211 0.000 0.749 548 L CB -0.487 41.560 42.059 -0.020 0.000 0.893 548 L HN 0.588 nan 8.230 nan 0.000 0.432 549 A N -1.536 121.224 122.820 -0.101 0.000 2.067 549 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 549 A C 2.171 179.730 177.584 -0.042 0.000 1.156 549 A CA 1.153 53.164 52.037 -0.044 0.000 0.683 549 A CB -0.506 18.475 19.000 -0.031 0.000 0.808 549 A HN 0.344 nan 8.150 nan 0.000 0.455 550 L N -0.997 120.171 121.223 -0.091 0.000 2.209 550 L HA 0.306 4.645 4.340 -0.000 0.000 0.207 550 L C 1.457 178.320 176.870 -0.013 0.000 1.094 550 L CA 1.705 56.510 54.840 -0.058 0.000 0.790 550 L CB -0.329 41.681 42.059 -0.083 0.000 0.932 550 L HN 0.649 nan 8.230 nan 0.000 0.447 551 G N -0.638 108.120 108.800 -0.069 0.000 2.272 551 G HA2 0.007 3.967 3.960 -0.000 0.000 0.280 551 G HA3 0.007 3.967 3.960 -0.000 0.000 0.280 551 G C 0.362 175.408 174.900 0.244 0.000 1.067 551 G CA 0.305 45.511 45.100 0.178 0.000 0.902 551 G HN 0.981 nan 8.290 nan 0.000 0.500 552 G N -1.680 107.057 108.800 -0.106 0.000 2.608 552 G HA2 0.868 4.828 3.960 -0.000 0.000 0.291 552 G HA3 0.868 4.828 3.960 -0.000 0.000 0.291 552 G C -0.227 174.658 174.900 -0.025 0.000 1.425 552 G CA 0.592 45.761 45.100 0.114 0.000 0.787 552 G HN 1.423 nan 8.290 nan 0.000 0.484 553 T N -1.466 113.196 114.554 0.181 0.000 2.869 553 T HA 0.406 4.756 4.350 -0.000 0.000 0.295 553 T C 0.987 175.724 174.700 0.062 0.000 0.987 553 T CA -0.440 61.744 62.100 0.140 0.000 1.109 553 T CB 2.100 71.090 68.868 0.203 0.000 0.932 553 T HN 0.520 nan 8.240 nan 0.000 0.518 554 R N 0.685 121.204 120.500 0.032 0.000 2.189 554 R HA 0.172 4.511 4.340 -0.000 0.000 0.203 554 R C 0.873 177.199 176.300 0.043 0.000 1.012 554 R CA 0.281 56.397 56.100 0.025 0.000 1.015 554 R CB 0.372 30.674 30.300 0.004 0.000 0.938 554 R HN 0.694 nan 8.270 nan 0.000 0.472 555 T N 0.672 115.262 114.554 0.060 0.000 2.909 555 T HA 0.383 4.733 4.350 -0.000 0.000 0.299 555 T C -2.833 171.924 174.700 0.095 0.000 1.073 555 T CA -2.419 59.721 62.100 0.066 0.000 0.999 555 T CB 1.894 70.794 68.868 0.054 0.000 1.098 555 T HN -0.241 nan 8.240 nan 0.000 0.477 556 P HA 0.123 nan 4.420 nan 0.000 0.267 556 P C -0.640 176.746 177.300 0.143 0.000 1.200 556 P CA -0.353 62.821 63.100 0.124 0.000 0.772 556 P CB 0.320 32.087 31.700 0.110 0.000 0.855 557 V N 4.316 124.329 119.914 0.166 0.000 2.529 557 V HA 0.035 4.154 4.120 -0.000 0.000 0.292 557 V C 1.006 177.252 176.094 0.254 0.000 1.028 557 V CA 0.536 62.947 62.300 0.185 0.000 1.074 557 V CB -0.425 31.466 31.823 0.113 0.000 0.958 557 V HN 0.466 nan 8.190 nan 0.000 0.481 558 R N 4.801 125.447 120.500 0.244 0.000 2.437 558 R HA 0.479 4.818 4.340 -0.000 0.000 0.310 558 R C -0.606 175.731 176.300 0.062 0.000 0.955 558 R CA -0.910 55.292 56.100 0.169 0.000 0.851 558 R CB 1.320 31.671 30.300 0.085 0.000 1.161 558 R HN 0.747 nan 8.270 nan 0.000 0.446 559 L N 3.960 125.081 121.223 -0.170 0.000 2.559 559 L HA 0.016 4.356 4.340 -0.000 0.000 0.274 559 L C -0.394 176.302 176.870 -0.289 0.000 1.205 559 L CA 0.442 54.901 54.840 -0.635 0.000 0.907 559 L CB 0.434 42.137 42.059 -0.594 0.000 1.153 559 L HN 0.624 nan 8.230 nan 0.000 0.490 560 D N 7.406 127.648 120.400 -0.263 0.000 2.456 560 D HA 0.235 4.875 4.640 -0.000 0.000 0.219 560 D C -1.715 174.516 176.300 -0.115 0.000 1.126 560 D CA -2.291 51.633 54.000 -0.126 0.000 0.890 560 D CB 1.231 41.989 40.800 -0.070 0.000 1.025 560 D HN 0.312 nan 8.370 nan 0.000 0.511 561 P HA 0.016 nan 4.420 nan 0.000 0.239 561 P C 0.141 177.414 177.300 -0.045 0.000 1.184 561 P CA 0.376 63.434 63.100 -0.070 0.000 0.760 561 P CB 0.526 32.194 31.700 -0.055 0.000 0.884 562 D N -1.045 119.332 120.400 -0.038 0.000 2.350 562 D HA 0.027 4.667 4.640 -0.000 0.000 0.213 562 D C 0.166 176.454 176.300 -0.019 0.000 1.031 562 D CA 0.784 54.770 54.000 -0.023 0.000 0.861 562 D CB -0.016 40.774 40.800 -0.017 0.000 0.926 562 D HN 0.080 nan 8.370 nan 0.000 0.520 563 T N 2.984 117.523 114.554 -0.025 0.000 3.332 563 T HA 0.311 4.661 4.350 -0.000 0.000 0.385 563 T C -2.564 172.127 174.700 -0.016 0.000 1.695 563 T CA -1.429 60.662 62.100 -0.015 0.000 1.397 563 T CB 1.524 70.387 68.868 -0.008 0.000 1.100 563 T HN -0.094 nan 8.240 nan 0.000 0.669 564 P HA 0.239 nan 4.420 nan 0.000 0.269 564 P C -0.762 176.542 177.300 0.006 0.000 1.209 564 P CA -0.383 62.713 63.100 -0.007 0.000 0.776 564 P CB 0.650 32.348 31.700 -0.004 0.000 0.876 565 V N 4.659 124.582 119.914 0.014 0.000 2.325 565 V HA 0.300 4.420 4.120 -0.000 0.000 0.280 565 V C -1.916 174.197 176.094 0.032 0.000 1.016 565 V CA -1.632 60.686 62.300 0.029 0.000 0.818 565 V CB 1.104 32.954 31.823 0.045 0.000 1.019 565 V HN 0.600 nan 8.190 nan 0.000 0.434 566 P HA 0.328 nan 4.420 nan 0.000 0.274 566 P C -0.452 176.872 177.300 0.040 0.000 1.231 566 P CA -0.368 62.750 63.100 0.029 0.000 0.790 566 P CB 1.218 32.932 31.700 0.023 0.000 0.951 567 L N 1.207 122.455 121.223 0.042 0.000 2.426 567 L HA 0.303 4.642 4.340 -0.000 0.000 0.271 567 L C 1.193 178.094 176.870 0.052 0.000 1.169 567 L CA -0.810 54.062 54.840 0.054 0.000 0.836 567 L CB 0.031 42.122 42.059 0.054 0.000 1.112 567 L HN 0.450 nan 8.230 nan 0.000 0.465 568 A N 4.822 127.682 122.820 0.067 0.000 2.565 568 A HA 0.137 4.456 4.320 -0.000 0.000 0.237 568 A C -1.427 176.189 177.584 0.053 0.000 1.053 568 A CA -0.762 51.315 52.037 0.066 0.000 0.755 568 A CB -0.256 18.801 19.000 0.096 0.000 0.980 568 A HN 0.644 nan 8.150 nan 0.000 0.506 569 P HA -0.105 nan 4.420 nan 0.000 0.223 569 P C 0.582 177.894 177.300 0.021 0.000 1.151 569 P CA 1.357 64.469 63.100 0.019 0.000 0.787 569 P CB -0.034 31.669 31.700 0.003 0.000 0.788 570 N N -0.204 118.525 118.700 0.048 0.000 2.268 570 N HA -0.062 4.678 4.740 -0.000 0.000 0.204 570 N C 0.657 176.199 175.510 0.053 0.000 1.124 570 N CA 0.089 53.172 53.050 0.055 0.000 0.838 570 N CB -0.876 37.679 38.487 0.113 0.000 0.994 570 N HN 0.310 nan 8.380 nan 0.000 0.489 571 E N 0.158 120.398 120.200 0.066 0.000 2.496 571 E HA 0.153 4.503 4.350 -0.000 0.000 0.202 571 E C 0.271 176.918 176.600 0.080 0.000 1.021 571 E CA -0.273 56.181 56.400 0.091 0.000 1.015 571 E CB -0.248 29.536 29.700 0.139 0.000 1.102 571 E HN 0.247 nan 8.360 nan 0.000 0.452 572 L N 0.391 121.626 121.223 0.020 0.000 2.628 572 L HA 0.377 4.717 4.340 -0.000 0.000 0.229 572 L C 1.083 177.917 176.870 -0.060 0.000 1.137 572 L CA -0.146 54.697 54.840 0.004 0.000 0.909 572 L CB 0.413 42.454 42.059 -0.030 0.000 1.137 572 L HN 0.261 nan 8.230 nan 0.000 0.470 573 G N -1.498 107.255 108.800 -0.078 0.000 3.019 573 G HA2 0.275 4.235 3.960 -0.000 0.000 0.152 573 G HA3 0.275 4.235 3.960 -0.000 0.000 0.152 573 G C -1.004 173.913 174.900 0.029 0.000 1.320 573 G CA -0.563 44.440 45.100 -0.162 0.000 1.013 573 G HN 0.205 nan 8.290 nan 0.000 0.593 574 H N 0.686 119.930 119.070 0.290 0.000 2.742 574 H HA 0.453 5.009 4.556 -0.000 0.000 0.302 574 H C -0.051 175.417 175.328 0.233 0.000 1.069 574 H CA -0.004 56.212 56.048 0.280 0.000 1.446 574 H CB 1.076 30.999 29.762 0.267 0.000 1.462 574 H HN -0.015 nan 8.280 nan 0.000 0.499 575 K N 2.128 122.775 120.400 0.411 0.000 2.385 575 K HA 0.155 4.475 4.320 -0.000 0.000 0.248 575 K C -0.228 176.516 176.600 0.240 0.000 0.955 575 K CA -0.713 55.742 56.287 0.279 0.000 0.816 575 K CB 2.161 34.868 32.500 0.346 0.000 1.250 575 K HN 0.812 nan 8.250 nan 0.000 0.434 576 D N -1.854 118.500 120.400 -0.076 0.000 2.516 576 D HA 0.106 4.745 4.640 -0.000 0.000 0.241 576 D C -0.440 175.651 176.300 -0.349 0.000 1.246 576 D CA -0.068 53.894 54.000 -0.064 0.000 0.808 576 D CB 0.536 41.520 40.800 0.306 0.000 1.147 576 D HN 0.052 nan 8.370 nan 0.000 0.527 577 V N 1.206 120.724 119.914 -0.660 0.000 2.525 577 V HA 0.551 4.671 4.120 -0.000 0.000 0.299 577 V C -1.430 174.249 176.094 -0.692 0.000 1.034 577 V CA -0.759 61.218 62.300 -0.539 0.000 0.863 577 V CB 1.290 33.014 31.823 -0.165 0.000 0.999 577 V HN 0.040 nan 8.190 nan 0.000 0.423 578 F N 1.679 121.658 119.950 0.047 0.000 2.507 578 F HA 0.541 5.068 4.527 -0.000 0.000 0.325 578 F C 0.362 176.175 175.800 0.023 0.000 1.116 578 F CA -0.877 57.142 58.000 0.031 0.000 0.930 578 F CB 1.586 40.594 39.000 0.012 0.000 1.146 578 F HN 0.361 nan 8.300 nan 0.000 0.447 579 Q N 2.092 122.024 119.800 0.219 0.000 2.281 579 Q HA 0.326 4.666 4.340 -0.000 0.000 0.267 579 Q C -0.694 175.401 176.000 0.159 0.000 1.053 579 Q CA -0.226 55.675 55.803 0.162 0.000 0.905 579 Q CB 1.314 30.138 28.738 0.144 0.000 1.195 579 Q HN 0.511 nan 8.270 nan 0.000 0.398 580 V N 6.379 126.372 119.914 0.133 0.000 2.240 580 V HA 0.231 4.350 4.120 -0.000 0.000 0.265 580 V C -1.932 174.233 176.094 0.118 0.000 1.073 580 V CA -1.678 60.698 62.300 0.125 0.000 0.857 580 V CB 0.098 31.982 31.823 0.102 0.000 1.114 580 V HN 0.669 nan 8.190 nan 0.000 0.469 581 P HA 0.445 nan 4.420 nan 0.000 0.275 581 P C 0.155 177.500 177.300 0.076 0.000 1.266 581 P CA 0.192 63.334 63.100 0.069 0.000 0.793 581 P CB 1.396 33.132 31.700 0.059 0.000 1.074 582 G N -0.808 108.025 108.800 0.056 0.000 2.690 582 G HA2 0.596 4.556 3.960 -0.000 0.000 0.291 582 G HA3 0.596 4.556 3.960 -0.000 0.000 0.291 582 G C -3.079 171.850 174.900 0.049 0.000 1.403 582 G CA -1.347 43.788 45.100 0.057 0.000 0.864 582 G HN 0.338 nan 8.290 nan 0.000 0.480 583 P HA 0.310 nan 4.420 nan 0.000 0.287 583 P C -0.836 176.540 177.300 0.127 0.000 1.307 583 P CA -0.051 63.089 63.100 0.067 0.000 0.777 583 P CB 1.629 33.371 31.700 0.070 0.000 0.883 584 Q N 1.897 121.766 119.800 0.115 0.000 2.522 584 Q HA 0.599 4.939 4.340 -0.000 0.000 0.285 584 Q C -1.382 174.702 176.000 0.139 0.000 0.982 584 Q CA -0.822 55.099 55.803 0.196 0.000 0.805 584 Q CB 2.382 31.206 28.738 0.143 0.000 1.457 584 Q HN 0.554 nan 8.270 nan 0.000 0.394 585 G N 1.375 110.331 108.800 0.259 0.000 2.461 585 G HA2 0.603 4.563 3.960 -0.000 0.000 0.323 585 G HA3 0.603 4.563 3.960 -0.000 0.000 0.323 585 G C -1.803 173.198 174.900 0.168 0.000 1.229 585 G CA -0.387 44.806 45.100 0.156 0.000 0.941 585 G HN 0.395 nan 8.290 nan 0.000 0.477 586 L N 1.343 122.653 121.223 0.145 0.000 2.362 586 L HA 0.717 5.057 4.340 -0.000 0.000 0.275 586 L C -0.219 176.704 176.870 0.089 0.000 0.998 586 L CA -0.828 54.090 54.840 0.132 0.000 0.820 586 L CB 1.743 43.897 42.059 0.158 0.000 1.270 586 L HN 0.504 nan 8.230 nan 0.000 0.415 587 R N 4.254 124.783 120.500 0.047 0.000 2.343 587 R HA 0.734 5.074 4.340 -0.000 0.000 0.320 587 R C -1.111 175.169 176.300 -0.032 0.000 0.956 587 R CA -0.669 55.445 56.100 0.022 0.000 0.836 587 R CB 1.758 32.089 30.300 0.053 0.000 1.151 587 R HN 0.620 nan 8.270 nan 0.000 0.450 588 V N 0.479 120.346 119.914 -0.078 0.000 2.864 588 V HA 0.697 4.817 4.120 -0.000 0.000 0.314 588 V C -0.433 175.692 176.094 0.052 0.000 1.073 588 V CA -1.036 61.192 62.300 -0.119 0.000 0.956 588 V CB 2.170 33.690 31.823 -0.505 0.000 1.023 588 V HN 0.753 nan 8.190 nan 0.000 0.435 589 M N 2.609 122.294 119.600 0.142 0.000 2.457 589 M HA 0.860 5.340 4.480 -0.000 0.000 0.300 589 M C -0.350 175.987 176.300 0.061 0.000 1.141 589 M CA -0.165 55.207 55.300 0.121 0.000 0.901 589 M CB 2.220 34.804 32.600 -0.026 0.000 1.687 589 M HN 1.233 nan 8.290 nan 0.000 0.449 590 G N 2.596 111.283 108.800 -0.188 0.000 2.704 590 G HA2 0.438 4.397 3.960 -0.000 0.000 0.293 590 G HA3 0.438 4.397 3.960 -0.000 0.000 0.293 590 G C -2.338 172.171 174.900 -0.652 0.000 1.421 590 G CA -0.690 43.884 45.100 -0.877 0.000 0.870 590 G HN 0.674 nan 8.290 nan 0.000 0.492 591 K N 0.703 120.640 120.400 -0.770 0.000 2.235 591 K HA 0.541 4.860 4.320 -0.000 0.000 0.266 591 K C -1.180 175.039 176.600 -0.635 0.000 0.980 591 K CA -0.700 55.164 56.287 -0.705 0.000 0.849 591 K CB 0.799 32.878 32.500 -0.702 0.000 1.098 591 K HN 0.256 nan 8.250 nan 0.000 0.445 592 F N 3.461 123.210 119.950 -0.336 0.000 2.351 592 F HA 0.194 4.721 4.527 -0.001 0.000 0.362 592 F C -0.034 175.686 175.800 -0.134 0.000 1.131 592 F CA -0.450 57.439 58.000 -0.187 0.000 1.187 592 F CB 0.730 39.696 39.000 -0.056 0.000 1.434 592 F HN 0.530 nan 8.300 nan 0.000 0.553 593 D N 0.885 121.245 120.400 -0.065 0.000 2.879 593 D HA 0.517 5.156 4.640 -0.000 0.000 0.236 593 D C 0.455 176.690 176.300 -0.107 0.000 1.171 593 D CA 0.032 53.973 54.000 -0.098 0.000 0.868 593 D CB 1.736 42.435 40.800 -0.168 0.000 1.598 593 D HN 0.563 nan 8.370 nan 0.000 0.497 594 G N 1.501 110.221 108.800 -0.133 0.000 2.143 594 G HA2 0.279 4.239 3.960 -0.000 0.000 0.249 594 G HA3 0.279 4.239 3.960 -0.000 0.000 0.249 594 G C 0.243 175.038 174.900 -0.175 0.000 0.981 594 G CA 0.266 45.289 45.100 -0.128 0.000 0.665 594 G HN 1.278 nan 8.290 nan 0.000 0.528 595 A N -1.740 120.891 122.820 -0.315 0.000 2.567 595 A HA 0.779 5.099 4.320 -0.000 0.000 0.291 595 A C -1.133 176.247 177.584 -0.340 0.000 1.048 595 A CA -0.647 51.221 52.037 -0.281 0.000 0.661 595 A CB 0.769 19.791 19.000 0.037 0.000 1.288 595 A HN 1.115 nan 8.150 nan 0.000 0.424 596 Y N -0.127 120.343 120.300 0.285 0.000 2.630 596 Y HA 0.853 5.402 4.550 -0.001 0.000 0.337 596 Y C 1.039 177.076 175.900 0.230 0.000 1.051 596 Y CA 0.135 58.403 58.100 0.279 0.000 1.121 596 Y CB 1.860 40.404 38.460 0.140 0.000 1.299 596 Y HN 2.117 nan 8.280 nan 0.000 0.498 597 G N 0.688 109.657 108.800 0.282 0.000 2.342 597 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 597 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 597 G C -1.578 173.120 174.900 -0.337 0.000 1.243 597 G CA -1.094 43.927 45.100 -0.132 0.000 1.083 597 G HN 0.695 nan 8.290 nan 0.000 0.500 598 R N -0.287 119.820 120.500 -0.655 0.000 2.387 598 R HA 0.743 5.083 4.340 -0.000 0.000 0.314 598 R C -0.973 174.885 176.300 -0.738 0.000 0.958 598 R CA -0.487 55.276 56.100 -0.562 0.000 0.846 598 R CB 0.518 30.458 30.300 -0.600 0.000 1.147 598 R HN 0.367 nan 8.270 nan 0.000 0.447 599 F N 2.093 121.857 119.950 -0.310 0.000 2.764 599 F HA 0.579 5.105 4.527 -0.000 0.000 0.347 599 F C -0.038 175.550 175.800 -0.354 0.000 1.151 599 F CA -1.013 56.752 58.000 -0.392 0.000 1.021 599 F CB 1.396 39.889 39.000 -0.846 0.000 1.438 599 F HN 0.143 nan 8.300 nan 0.000 0.516 600 M N 0.911 120.338 119.600 -0.290 0.000 2.662 600 M HA 0.415 4.894 4.480 -0.000 0.000 0.310 600 M C -1.301 175.153 176.300 0.257 0.000 1.204 600 M CA -0.771 54.400 55.300 -0.216 0.000 0.891 600 M CB 1.972 34.167 32.600 -0.675 0.000 1.732 600 M HN 0.662 nan 8.290 nan 0.000 0.467 601 Y N -0.622 119.942 120.300 0.440 0.000 2.553 601 Y HA 0.833 5.383 4.550 -0.000 0.000 0.347 601 Y C -1.023 175.151 175.900 0.457 0.000 1.019 601 Y CA -1.004 57.374 58.100 0.464 0.000 1.032 601 Y CB 1.391 40.246 38.460 0.659 0.000 1.284 601 Y HN 0.889 nan 8.280 nan 0.000 0.466 602 H N -0.488 118.819 119.070 0.395 0.000 2.935 602 H HA 0.438 4.994 4.556 -0.000 0.000 0.297 602 H C -1.696 173.786 175.328 0.258 0.000 1.423 602 H CA -1.463 54.718 56.048 0.221 0.000 1.161 602 H CB 0.575 30.384 29.762 0.079 0.000 1.841 602 H HN 1.103 nan 8.280 nan 0.000 0.506 603 C N 1.656 121.102 119.300 0.244 0.000 2.593 603 C HA 0.153 4.612 4.460 -0.000 0.000 0.409 603 C C 1.087 176.244 174.990 0.277 0.000 1.304 603 C CA -0.091 59.061 59.018 0.223 0.000 2.007 603 C CB -0.668 27.228 27.740 0.260 0.000 2.614 603 C HN 0.974 nan 8.230 nan 0.000 0.585 604 H N 4.654 123.834 119.070 0.185 0.000 2.567 604 H HA 0.279 4.835 4.556 -0.000 0.000 0.294 604 H C -0.046 175.364 175.328 0.138 0.000 1.050 604 H CA 0.263 56.432 56.048 0.201 0.000 1.168 604 H CB -0.058 29.811 29.762 0.178 0.000 1.422 604 H HN 0.577 nan 8.280 nan 0.000 0.562 605 L N 2.136 123.484 121.223 0.207 0.000 2.295 605 L HA 0.078 4.418 4.340 -0.000 0.000 0.288 605 L C 1.528 178.364 176.870 -0.057 0.000 1.079 605 L CA -0.249 54.620 54.840 0.047 0.000 0.830 605 L CB 1.234 43.272 42.059 -0.034 0.000 1.200 605 L HN 0.180 nan 8.230 nan 0.000 0.438 606 L N 1.843 123.007 121.223 -0.098 0.000 2.081 606 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 606 L C 2.033 178.773 176.870 -0.217 0.000 1.080 606 L CA 1.276 56.006 54.840 -0.183 0.000 0.754 606 L CB -0.193 41.744 42.059 -0.202 0.000 0.893 606 L HN 0.655 nan 8.230 nan 0.000 0.433 607 E N -0.613 119.452 120.200 -0.225 0.000 2.118 607 E HA -0.202 4.147 4.350 -0.000 0.000 0.195 607 E C 2.004 178.547 176.600 -0.094 0.000 0.992 607 E CA 1.381 57.656 56.400 -0.207 0.000 0.804 607 E CB -0.307 29.278 29.700 -0.191 0.000 0.741 607 E HN 0.601 nan 8.360 nan 0.000 0.458 608 H N -0.600 118.459 119.070 -0.018 0.000 2.436 608 H HA 0.043 4.599 4.556 -0.000 0.000 0.294 608 H C 2.003 177.311 175.328 -0.033 0.000 1.048 608 H CA 0.849 56.910 56.048 0.021 0.000 1.353 608 H CB 0.216 30.047 29.762 0.115 0.000 1.414 608 H HN 0.166 nan 8.280 nan 0.000 0.536 609 E N 0.906 121.136 120.200 0.049 0.000 2.085 609 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 609 E C 1.083 177.579 176.600 -0.175 0.000 0.994 609 E CA 1.345 57.700 56.400 -0.074 0.000 0.801 609 E CB 0.137 29.742 29.700 -0.158 0.000 0.743 609 E HN 0.411 nan 8.360 nan 0.000 0.453 610 D N -0.437 119.849 120.400 -0.189 0.000 2.317 610 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 610 D C 0.688 176.891 176.300 -0.160 0.000 0.966 610 D CA 0.758 54.628 54.000 -0.218 0.000 0.876 610 D CB 0.176 40.799 40.800 -0.295 0.000 0.927 610 D HN 0.297 nan 8.370 nan 0.000 0.519 611 M N -0.867 118.661 119.600 -0.120 0.000 3.076 611 M HA 0.327 4.807 4.480 -0.000 0.000 0.296 611 M C 0.832 177.075 176.300 -0.095 0.000 1.185 611 M CA -0.232 54.983 55.300 -0.141 0.000 0.932 611 M CB 1.065 33.535 32.600 -0.216 0.000 1.288 611 M HN -0.011 nan 8.290 nan 0.000 0.536 612 G N 1.448 110.211 108.800 -0.062 0.000 2.225 612 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.254 612 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.254 612 G C 0.387 175.318 174.900 0.050 0.000 0.988 612 G CA 0.004 45.113 45.100 0.015 0.000 0.625 612 G HN 0.563 nan 8.290 nan 0.000 0.527 613 M N 0.915 120.536 119.600 0.035 0.000 3.763 613 M HA 0.656 5.135 4.480 -0.000 0.000 0.183 613 M C 0.259 176.605 176.300 0.078 0.000 1.544 613 M CA 0.561 55.899 55.300 0.063 0.000 1.722 613 M CB -0.414 32.227 32.600 0.069 0.000 1.155 613 M HN 0.418 nan 8.290 nan 0.000 0.528 614 M N 0.921 120.557 119.600 0.059 0.000 2.413 614 M HA 0.528 5.008 4.480 -0.000 0.000 0.287 614 M C -1.716 174.640 176.300 0.093 0.000 1.186 614 M CA -0.677 54.647 55.300 0.039 0.000 0.927 614 M CB 1.731 34.236 32.600 -0.159 0.000 1.715 614 M HN 0.150 nan 8.290 nan 0.000 0.478 615 R N 3.116 123.528 120.500 -0.146 0.000 2.698 615 R HA 0.671 5.011 4.340 -0.000 0.000 0.275 615 R C -2.960 173.298 176.300 -0.070 0.000 1.001 615 R CA -1.584 54.368 56.100 -0.246 0.000 0.896 615 R CB 2.202 32.051 30.300 -0.751 0.000 1.218 615 R HN 0.420 nan 8.270 nan 0.000 0.462 616 P HA 0.437 nan 4.420 nan 0.000 0.279 616 P C -0.986 176.513 177.300 0.333 0.000 1.252 616 P CA -0.288 62.936 63.100 0.207 0.000 0.811 616 P CB 0.704 32.490 31.700 0.144 0.000 1.035 617 F N -1.353 118.802 119.950 0.343 0.000 2.645 617 F HA 0.704 5.230 4.527 -0.000 0.000 0.310 617 F C -1.901 174.113 175.800 0.356 0.000 1.102 617 F CA -1.349 56.882 58.000 0.384 0.000 0.952 617 F CB 1.081 40.462 39.000 0.635 0.000 1.326 617 F HN 0.006 nan 8.300 nan 0.000 0.456 618 V N 2.759 122.973 119.914 0.500 0.000 2.487 618 V HA 0.602 4.721 4.120 -0.000 0.000 0.298 618 V C -0.869 175.482 176.094 0.429 0.000 1.028 618 V CA -0.822 61.663 62.300 0.309 0.000 0.860 618 V CB 1.663 33.579 31.823 0.154 0.000 0.991 618 V HN 0.771 nan 8.190 nan 0.000 0.427 619 V N 6.671 126.865 119.914 0.466 0.000 2.384 619 V HA 0.624 4.744 4.120 -0.000 0.000 0.287 619 V C -0.055 176.286 176.094 0.412 0.000 1.020 619 V CA -0.349 62.228 62.300 0.461 0.000 0.850 619 V CB 1.415 33.589 31.823 0.586 0.000 0.987 619 V HN 0.957 nan 8.190 nan 0.000 0.436 620 M N 5.271 125.069 119.600 0.330 0.000 2.619 620 M HA 0.787 5.267 4.480 -0.000 0.000 0.297 620 M C -3.046 173.398 176.300 0.240 0.000 1.229 620 M CA -2.216 53.233 55.300 0.247 0.000 0.860 620 M CB 2.673 35.342 32.600 0.115 0.000 1.741 620 M HN 0.229 nan 8.290 nan 0.000 0.462 621 P HA 0.165 nan 4.420 nan 0.000 0.265 621 P C -2.276 175.082 177.300 0.098 0.000 1.193 621 P CA -0.621 62.534 63.100 0.090 0.000 0.765 621 P CB -0.190 31.444 31.700 -0.110 0.000 0.823 622 P HA -0.214 nan 4.420 nan 0.000 0.216 622 P C 1.065 178.396 177.300 0.051 0.000 1.150 622 P CA 1.591 64.737 63.100 0.076 0.000 0.843 622 P CB -0.037 31.706 31.700 0.072 0.000 0.787 623 E N -0.601 119.635 120.200 0.060 0.000 2.153 623 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 623 E C 2.040 178.716 176.600 0.127 0.000 0.988 623 E CA 1.435 57.877 56.400 0.069 0.000 0.811 623 E CB -0.891 28.858 29.700 0.082 0.000 0.746 623 E HN 0.208 nan 8.360 nan 0.000 0.466 624 A N 0.057 122.952 122.820 0.125 0.000 2.072 624 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 624 A C 1.968 179.657 177.584 0.176 0.000 1.156 624 A CA 0.268 52.428 52.037 0.206 0.000 0.701 624 A CB -0.261 18.788 19.000 0.081 0.000 0.816 624 A HN 0.201 nan 8.150 nan 0.000 0.458 625 L N 0.005 121.276 121.223 0.080 0.000 2.131 625 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 625 L C 2.152 179.000 176.870 -0.036 0.000 1.092 625 L CA 1.507 56.371 54.840 0.040 0.000 0.759 625 L CB -0.214 41.864 42.059 0.032 0.000 0.903 625 L HN 0.234 nan 8.230 nan 0.000 0.435 626 K N -0.978 119.335 120.400 -0.144 0.000 2.360 626 K HA -0.149 4.171 4.320 -0.000 0.000 0.201 626 K C 1.051 177.313 176.600 -0.564 0.000 1.046 626 K CA 1.226 57.272 56.287 -0.400 0.000 0.940 626 K CB -0.219 31.926 32.500 -0.593 0.000 0.748 626 K HN 0.325 nan 8.250 nan 0.000 0.465 627 F N 0.535 120.484 119.950 -0.002 0.000 2.639 627 F HA 0.123 4.649 4.527 -0.000 0.000 0.302 627 F C 0.107 175.904 175.800 -0.005 0.000 1.097 627 F CA -0.635 57.361 58.000 -0.006 0.000 1.294 627 F CB -0.004 38.989 39.000 -0.012 0.000 1.027 627 F HN 0.023 nan 8.300 nan 0.000 0.550 628 D N 0.000 120.455 120.400 0.091 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.034 54.000 0.057 0.000 0.868 628 D CB 0.000 40.832 40.800 0.053 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683