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_B 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 0.000 177.607 177.584 0.038 0.000 1.274 37 A CA 0.000 52.060 52.037 0.039 0.000 0.836 37 A CB 0.000 19.033 19.000 0.055 0.000 0.831 38 P HA 0.377 nan 4.420 nan 0.000 0.258 38 P C 1.015 178.336 177.300 0.035 0.000 1.187 38 P CA 2.195 65.312 63.100 0.028 0.000 0.767 38 P CB 0.390 32.104 31.700 0.023 0.000 0.770 39 G N 1.904 110.722 108.800 0.031 0.000 2.163 39 G HA2 -0.172 3.789 3.960 0.001 0.000 0.213 39 G HA3 -0.172 3.789 3.960 0.001 0.000 0.213 39 G C -0.062 174.862 174.900 0.039 0.000 0.991 39 G CA -0.517 44.602 45.100 0.032 0.000 0.653 39 G HN 0.533 nan 8.290 nan 0.000 0.518 40 E N -0.017 120.208 120.200 0.040 0.000 2.214 40 E HA 0.598 4.949 4.350 0.001 0.000 0.274 40 E C 0.446 177.035 176.600 -0.019 0.000 0.977 40 E CA -0.855 55.571 56.400 0.043 0.000 0.827 40 E CB 1.550 31.291 29.700 0.068 0.000 1.130 40 E HN 0.283 nan 8.360 nan 0.000 0.394 41 L N 1.494 122.675 121.223 -0.069 0.000 2.426 41 L HA 0.146 4.486 4.340 0.001 0.000 0.271 41 L C 0.488 177.343 176.870 -0.025 0.000 1.169 41 L CA -0.128 54.595 54.840 -0.194 0.000 0.836 41 L CB 0.296 42.001 42.059 -0.590 0.000 1.112 41 L HN 0.427 nan 8.230 nan 0.000 0.465 42 T N 4.181 118.763 114.554 0.045 0.000 2.737 42 T HA 0.207 4.558 4.350 0.001 0.000 0.296 42 T C -2.165 172.633 174.700 0.164 0.000 0.922 42 T CA -0.939 61.216 62.100 0.092 0.000 1.079 42 T CB 0.492 69.431 68.868 0.119 0.000 0.892 42 T HN 0.394 nan 8.240 nan 0.000 0.514 43 P HA 0.138 nan 4.420 nan 0.000 0.269 43 P C -0.040 177.039 177.300 -0.369 0.000 1.215 43 P CA -0.338 62.506 63.100 -0.428 0.000 0.780 43 P CB 0.089 30.980 31.700 -1.349 0.000 0.898 44 F N -1.610 118.517 119.950 0.296 0.000 3.071 44 F HA -0.228 4.299 4.527 0.001 0.000 0.295 44 F C 1.224 177.195 175.800 0.286 0.000 0.919 44 F CA 0.206 58.367 58.000 0.267 0.000 1.050 44 F CB -2.459 36.635 39.000 0.157 0.000 1.040 44 F HN 0.387 nan 8.300 nan 0.000 0.692 45 A N -0.622 122.368 122.820 0.284 0.000 2.195 45 A HA 0.686 5.006 4.320 0.001 0.000 0.210 45 A C 1.113 178.788 177.584 0.151 0.000 1.165 45 A CA 0.874 53.002 52.037 0.152 0.000 0.806 45 A CB 0.198 19.189 19.000 -0.015 0.000 0.847 45 A HN 1.027 nan 8.150 nan 0.000 0.482 46 A N 0.040 122.932 122.820 0.120 0.000 2.515 46 A HA 0.717 5.037 4.320 0.001 0.000 0.298 46 A C -3.219 174.111 177.584 -0.423 0.000 1.059 46 A CA -1.758 50.241 52.037 -0.062 0.000 0.698 46 A CB 1.245 20.153 19.000 -0.153 0.000 1.289 46 A HN 0.023 nan 8.150 nan 0.000 0.404 47 P HA 0.348 nan 4.420 nan 0.000 0.274 47 P C -0.291 176.740 177.300 -0.450 0.000 1.237 47 P CA -0.359 62.190 63.100 -0.918 0.000 0.793 47 P CB 0.635 32.021 31.700 -0.523 0.000 0.977 48 L N 2.256 123.246 121.223 -0.389 0.000 2.485 48 L HA 0.237 4.578 4.340 0.001 0.000 0.275 48 L C 0.389 177.182 176.870 -0.129 0.000 1.207 48 L CA 0.934 55.656 54.840 -0.197 0.000 0.855 48 L CB -0.085 41.877 42.059 -0.163 0.000 1.114 48 L HN 0.561 nan 8.230 nan 0.000 0.485 49 T N 2.496 117.004 114.554 -0.077 0.000 2.940 49 T HA 0.752 5.103 4.350 0.001 0.000 0.288 49 T C -0.291 174.403 174.700 -0.011 0.000 1.033 49 T CA -0.372 61.705 62.100 -0.039 0.000 1.033 49 T CB 1.565 70.415 68.868 -0.030 0.000 1.079 49 T HN 0.737 nan 8.240 nan 0.000 0.496 50 V N -1.143 118.776 119.914 0.007 0.000 2.581 50 V HA 0.731 4.852 4.120 0.001 0.000 0.303 50 V C -2.782 173.327 176.094 0.026 0.000 1.041 50 V CA -2.677 59.637 62.300 0.024 0.000 0.907 50 V CB 0.472 32.318 31.823 0.038 0.000 0.994 50 V HN 0.809 nan 8.190 nan 0.000 0.442 51 P HA 0.230 nan 4.420 nan 0.000 0.267 51 P C -2.538 174.789 177.300 0.045 0.000 1.201 51 P CA -0.499 62.625 63.100 0.041 0.000 0.775 51 P CB -0.395 31.338 31.700 0.054 0.000 0.854 52 P HA 0.027 nan 4.420 nan 0.000 0.272 52 P C -0.739 176.587 177.300 0.044 0.000 1.223 52 P CA 0.107 63.232 63.100 0.040 0.000 0.784 52 P CB 0.468 32.192 31.700 0.040 0.000 0.923 53 V N 3.230 123.160 119.914 0.028 0.000 2.465 53 V HA 0.217 4.337 4.120 0.001 0.000 0.279 53 V C 0.410 176.506 176.094 0.004 0.000 1.045 53 V CA -0.390 61.920 62.300 0.017 0.000 0.938 53 V CB 0.963 32.790 31.823 0.006 0.000 0.986 53 V HN 0.402 nan 8.190 nan 0.000 0.467 54 L N 6.567 127.785 121.223 -0.009 0.000 2.333 54 L HA 0.591 4.932 4.340 0.001 0.000 0.280 54 L C -0.085 176.745 176.870 -0.066 0.000 1.004 54 L CA -0.106 54.716 54.840 -0.031 0.000 0.820 54 L CB 1.455 43.497 42.059 -0.029 0.000 1.247 54 L HN 0.542 nan 8.230 nan 0.000 0.416 55 R N 6.125 126.589 120.500 -0.060 0.000 2.287 55 R HA 0.400 4.740 4.340 0.001 0.000 0.316 55 R C -1.766 174.495 176.300 -0.065 0.000 1.050 55 R CA -1.243 54.814 56.100 -0.072 0.000 0.983 55 R CB 0.891 31.158 30.300 -0.054 0.000 1.140 55 R HN 0.529 nan 8.270 nan 0.000 0.528 56 P HA 0.078 nan 4.420 nan 0.000 0.255 56 P C -0.039 177.237 177.300 -0.040 0.000 1.248 56 P CA 0.098 63.161 63.100 -0.062 0.000 0.807 56 P CB 0.511 32.166 31.700 -0.075 0.000 1.150 57 A N 1.013 123.813 122.820 -0.033 0.000 2.477 57 A HA 0.450 4.770 4.320 0.001 0.000 0.246 57 A C 0.659 178.234 177.584 -0.016 0.000 1.078 57 A CA 0.284 52.312 52.037 -0.014 0.000 0.770 57 A CB -0.153 18.841 19.000 -0.010 0.000 1.011 57 A HN 0.364 nan 8.150 nan 0.000 0.494 58 S N 0.559 116.253 115.700 -0.011 0.000 2.685 58 S HA 0.525 4.995 4.470 0.001 0.000 0.282 58 S C -0.300 174.297 174.600 -0.006 0.000 1.159 58 S CA -0.583 57.609 58.200 -0.012 0.000 0.833 58 S CB 1.342 64.532 63.200 -0.017 0.000 1.151 58 S HN 0.496 nan 8.310 nan 0.000 0.485 59 D N 0.423 120.819 120.400 -0.006 0.000 2.347 59 D HA 0.083 4.724 4.640 0.001 0.000 0.215 59 D C 0.002 176.300 176.300 -0.004 0.000 0.976 59 D CA 0.777 54.775 54.000 -0.004 0.000 0.884 59 D CB 0.060 40.858 40.800 -0.004 0.000 0.915 59 D HN 0.683 nan 8.370 nan 0.000 0.526 60 E N 0.941 121.136 120.200 -0.008 0.000 2.103 60 E HA 0.134 4.485 4.350 0.001 0.000 0.254 60 E C 0.759 177.352 176.600 -0.012 0.000 0.940 60 E CA -0.260 56.134 56.400 -0.010 0.000 0.771 60 E CB 1.549 31.241 29.700 -0.012 0.000 1.153 60 E HN -0.222 nan 8.360 nan 0.000 0.428 61 V N 3.450 123.359 119.914 -0.008 0.000 2.490 61 V HA -0.216 3.905 4.120 0.001 0.000 0.250 61 V C 1.977 178.060 176.094 -0.019 0.000 1.061 61 V CA 2.676 64.971 62.300 -0.008 0.000 1.064 61 V CB -0.208 31.616 31.823 0.001 0.000 0.670 61 V HN 0.819 nan 8.190 nan 0.000 0.461 62 T N -1.939 112.604 114.554 -0.019 0.000 3.113 62 T HA -0.068 4.282 4.350 0.001 0.000 0.263 62 T C 1.216 175.898 174.700 -0.030 0.000 1.143 62 T CA 0.230 62.315 62.100 -0.024 0.000 1.090 62 T CB -0.444 68.413 68.868 -0.019 0.000 0.922 62 T HN 0.456 nan 8.240 nan 0.000 0.521 63 R N 1.968 122.450 120.500 -0.030 0.000 2.308 63 R HA 0.235 4.576 4.340 0.001 0.000 0.325 63 R C -0.543 175.728 176.300 -0.048 0.000 1.161 63 R CA -0.278 55.801 56.100 -0.036 0.000 1.022 63 R CB 0.194 30.476 30.300 -0.029 0.000 1.091 63 R HN 0.494 nan 8.270 nan 0.000 0.497 64 E N 1.374 121.537 120.200 -0.061 0.000 2.404 64 E HA 0.018 4.368 4.350 0.001 0.000 0.261 64 E C -0.410 176.133 176.600 -0.094 0.000 1.074 64 E CA 0.327 56.675 56.400 -0.088 0.000 0.917 64 E CB 0.852 30.491 29.700 -0.102 0.000 0.965 64 E HN 0.378 nan 8.360 nan 0.000 0.433 65 T N 2.254 116.733 114.554 -0.126 0.000 2.743 65 T HA 0.072 4.423 4.350 0.001 0.000 0.293 65 T C -0.092 174.499 174.700 -0.182 0.000 0.945 65 T CA -0.359 61.659 62.100 -0.137 0.000 1.030 65 T CB 0.508 69.288 68.868 -0.146 0.000 0.912 65 T HN 0.392 nan 8.240 nan 0.000 0.483 66 E N 4.086 124.209 120.200 -0.129 0.000 2.259 66 E HA 0.266 4.617 4.350 0.001 0.000 0.281 66 E C -0.784 175.748 176.600 -0.114 0.000 1.037 66 E CA -0.367 55.962 56.400 -0.118 0.000 0.854 66 E CB 0.422 30.084 29.700 -0.064 0.000 1.051 66 E HN 0.556 nan 8.360 nan 0.000 0.409 67 I N 4.207 124.696 120.570 -0.136 0.000 2.382 67 I HA 0.350 4.521 4.170 0.001 0.000 0.285 67 I C -0.410 175.793 176.117 0.144 0.000 1.007 67 I CA -0.713 60.577 61.300 -0.016 0.000 1.142 67 I CB 1.574 39.502 38.000 -0.120 0.000 1.289 67 I HN 0.526 nan 8.210 nan 0.000 0.453 68 A N 7.521 130.422 122.820 0.136 0.000 2.260 68 A HA 0.680 5.001 4.320 0.001 0.000 0.314 68 A C -0.592 177.073 177.584 0.135 0.000 1.257 68 A CA -0.532 51.573 52.037 0.114 0.000 0.871 68 A CB 0.445 19.481 19.000 0.060 0.000 1.166 68 A HN 0.579 nan 8.150 nan 0.000 0.522 69 L N 3.586 124.871 121.223 0.103 0.000 2.418 69 L HA 0.343 4.683 4.340 0.001 0.000 0.274 69 L C 0.803 177.631 176.870 -0.070 0.000 1.135 69 L CA 1.066 55.893 54.840 -0.021 0.000 0.870 69 L CB -0.047 41.939 42.059 -0.121 0.000 1.154 69 L HN 0.749 nan 8.230 nan 0.000 0.462 70 R N 3.233 123.696 120.500 -0.061 0.000 2.795 70 R HA 0.640 4.980 4.340 0.001 0.000 0.275 70 R C -2.708 173.560 176.300 -0.052 0.000 0.981 70 R CA -2.128 53.937 56.100 -0.058 0.000 0.917 70 R CB 0.942 31.253 30.300 0.018 0.000 1.202 70 R HN 0.228 nan 8.270 nan 0.000 0.469 71 P HA 0.083 nan 4.420 nan 0.000 0.269 71 P C -0.552 176.767 177.300 0.032 0.000 1.215 71 P CA 0.045 63.188 63.100 0.072 0.000 0.780 71 P CB 0.839 32.581 31.700 0.069 0.000 0.898 72 T N 0.836 115.358 114.554 -0.054 0.000 2.885 72 T HA 0.512 4.863 4.350 0.001 0.000 0.322 72 T C -2.157 172.422 174.700 -0.201 0.000 1.387 72 T CA -0.562 61.520 62.100 -0.030 0.000 1.041 72 T CB 0.357 69.244 68.868 0.032 0.000 1.287 72 T HN 0.140 nan 8.240 nan 0.000 0.491 73 W N 2.663 123.982 121.300 0.031 0.000 2.429 73 W HA 0.689 5.349 4.660 0.001 0.000 0.314 73 W C -0.708 175.814 176.519 0.005 0.000 1.062 73 W CA -0.535 56.818 57.345 0.013 0.000 1.211 73 W CB 1.649 31.114 29.460 0.007 0.000 1.305 73 W HN 0.417 nan 8.180 nan 0.000 0.476 74 V N 4.083 124.102 119.914 0.176 0.000 2.487 74 V HA 0.396 4.517 4.120 0.001 0.000 0.298 74 V C -0.308 175.841 176.094 0.092 0.000 1.028 74 V CA -1.272 61.084 62.300 0.093 0.000 0.860 74 V CB 1.749 33.587 31.823 0.024 0.000 0.991 74 V HN 0.289 nan 8.190 nan 0.000 0.427 75 R N 3.852 124.391 120.500 0.064 0.000 2.296 75 R HA 0.414 4.754 4.340 0.001 0.000 0.327 75 R C 0.720 177.024 176.300 0.008 0.000 1.137 75 R CA -0.024 56.100 56.100 0.040 0.000 1.020 75 R CB -0.108 30.206 30.300 0.022 0.000 1.110 75 R HN 0.775 nan 8.270 nan 0.000 0.499 76 L N 1.590 122.814 121.223 0.002 0.000 2.201 76 L HA -0.018 4.323 4.340 0.001 0.000 0.212 76 L C 0.661 177.534 176.870 0.004 0.000 1.105 76 L CA 0.934 55.760 54.840 -0.023 0.000 0.775 76 L CB -0.190 41.829 42.059 -0.066 0.000 0.913 76 L HN 0.617 nan 8.230 nan 0.000 0.440 77 H N -2.245 116.765 119.070 -0.101 0.000 3.140 77 H HA 0.113 4.670 4.556 0.001 0.000 0.336 77 H C -2.275 173.017 175.328 -0.059 0.000 1.142 77 H CA -1.001 54.987 56.048 -0.099 0.000 1.308 77 H CB 2.219 31.878 29.762 -0.172 0.000 1.970 77 H HN -0.305 nan 8.280 nan 0.000 0.521 78 P HA -0.128 nan 4.420 nan 0.000 0.217 78 P C 0.836 178.173 177.300 0.062 0.000 1.148 78 P CA 1.398 64.440 63.100 -0.095 0.000 0.828 78 P CB 0.299 31.904 31.700 -0.159 0.000 0.783 79 Q N -1.447 118.532 119.800 0.297 0.000 2.403 79 Q HA 0.137 4.477 4.340 0.001 0.000 0.203 79 Q C 0.385 176.432 176.000 0.079 0.000 0.932 79 Q CA 0.076 55.995 55.803 0.193 0.000 0.945 79 Q CB -0.073 28.780 28.738 0.192 0.000 1.045 79 Q HN 0.309 nan 8.270 nan 0.000 0.511 80 L N 1.049 122.315 121.223 0.071 0.000 2.313 80 L HA 0.504 4.844 4.340 0.001 0.000 0.268 80 L C -2.123 174.756 176.870 0.014 0.000 1.010 80 L CA -2.461 52.381 54.840 0.003 0.000 0.814 80 L CB 1.113 43.148 42.059 -0.039 0.000 1.304 80 L HN -0.089 nan 8.230 nan 0.000 0.441 81 P HA 0.277 nan 4.420 nan 0.000 0.275 81 P C -2.750 174.586 177.300 0.059 0.000 1.266 81 P CA -1.534 61.578 63.100 0.020 0.000 0.793 81 P CB -0.194 31.517 31.700 0.018 0.000 1.074 82 P HA 0.222 nan 4.420 nan 0.000 0.274 82 P C -0.507 177.010 177.300 0.361 0.000 1.237 82 P CA 0.320 63.546 63.100 0.210 0.000 0.793 82 P CB 0.152 31.994 31.700 0.237 0.000 0.977 83 T N 2.046 116.776 114.554 0.294 0.000 2.807 83 T HA 0.368 4.719 4.350 0.001 0.000 0.279 83 T C -0.438 174.175 174.700 -0.145 0.000 0.993 83 T CA -0.462 61.698 62.100 0.100 0.000 0.970 83 T CB 0.567 69.432 68.868 -0.004 0.000 0.950 83 T HN 0.158 nan 8.240 nan 0.000 0.441 84 L N 4.731 125.618 121.223 -0.560 0.000 2.367 84 L HA 0.573 4.914 4.340 0.001 0.000 0.275 84 L C -0.538 175.982 176.870 -0.582 0.000 1.129 84 L CA 0.638 54.837 54.840 -1.068 0.000 0.839 84 L CB -0.282 41.109 42.059 -1.113 0.000 1.133 84 L HN 0.684 nan 8.230 nan 0.000 0.453 85 M N 3.412 122.726 119.600 -0.477 0.000 2.704 85 M HA 0.383 4.863 4.480 0.001 0.000 0.284 85 M C -1.635 174.610 176.300 -0.092 0.000 1.275 85 M CA -0.618 54.504 55.300 -0.297 0.000 0.811 85 M CB 2.324 34.831 32.600 -0.153 0.000 1.741 85 M HN 0.421 nan 8.290 nan 0.000 0.458 86 W N 0.546 121.715 121.300 -0.217 0.000 2.532 86 W HA 0.715 5.375 4.660 0.001 0.000 0.321 86 W C -0.210 176.205 176.519 -0.172 0.000 1.037 86 W CA -1.156 56.075 57.345 -0.190 0.000 1.220 86 W CB 1.526 30.870 29.460 -0.193 0.000 1.361 86 W HN 0.649 nan 8.180 nan 0.000 0.468 87 G N 2.272 111.105 108.800 0.055 0.000 2.617 87 G HA2 0.504 4.465 3.960 0.001 0.000 0.306 87 G HA3 0.504 4.465 3.960 0.001 0.000 0.306 87 G C -1.871 173.034 174.900 0.008 0.000 1.360 87 G CA -0.734 44.370 45.100 0.007 0.000 0.983 87 G HN 0.175 nan 8.290 nan 0.000 0.496 88 Y N 1.602 122.006 120.300 0.173 0.000 2.729 88 Y HA 0.038 4.588 4.550 0.001 0.000 0.331 88 Y C 1.049 177.045 175.900 0.159 0.000 1.208 88 Y CA 0.754 58.990 58.100 0.227 0.000 1.521 88 Y CB 0.389 39.088 38.460 0.398 0.000 1.233 88 Y HN 0.639 nan 8.280 nan 0.000 0.539 89 D N 2.179 122.739 120.400 0.265 0.000 2.792 89 D HA -0.195 4.445 4.640 0.001 0.000 0.231 89 D C 1.203 177.575 176.300 0.121 0.000 1.160 89 D CA 1.701 55.795 54.000 0.157 0.000 0.697 89 D CB -1.246 39.638 40.800 0.141 0.000 1.070 89 D HN 1.102 nan 8.370 nan 0.000 0.426 90 G N -0.615 108.249 108.800 0.107 0.000 2.249 90 G HA2 -0.320 3.640 3.960 0.001 0.000 0.273 90 G HA3 -0.320 3.640 3.960 0.001 0.000 0.273 90 G C -0.043 174.904 174.900 0.079 0.000 1.036 90 G CA 0.470 45.618 45.100 0.079 0.000 0.824 90 G HN 0.399 nan 8.290 nan 0.000 0.504 91 Q N -1.011 118.846 119.800 0.094 0.000 2.375 91 Q HA 0.696 5.037 4.340 0.001 0.000 0.271 91 Q C -0.554 175.469 176.000 0.039 0.000 1.074 91 Q CA -0.768 55.077 55.803 0.071 0.000 0.808 91 Q CB 2.888 31.681 28.738 0.091 0.000 1.327 91 Q HN 0.343 nan 8.270 nan 0.000 0.441 92 V N 2.933 122.839 119.914 -0.013 0.000 2.525 92 V HA 0.367 4.487 4.120 0.001 0.000 0.299 92 V C -2.268 173.751 176.094 -0.125 0.000 1.034 92 V CA -1.716 60.519 62.300 -0.109 0.000 0.863 92 V CB 1.946 33.723 31.823 -0.078 0.000 0.999 92 V HN 0.596 nan 8.190 nan 0.000 0.423 93 P HA 0.227 nan 4.420 nan 0.000 0.270 93 P C 0.562 177.792 177.300 -0.116 0.000 1.223 93 P CA 0.187 63.031 63.100 -0.426 0.000 0.785 93 P CB 0.513 32.000 31.700 -0.355 0.000 0.923 94 G N 1.766 110.568 108.800 0.003 0.000 2.794 94 G HA2 0.161 4.122 3.960 0.001 0.000 0.249 94 G HA3 0.161 4.122 3.960 0.001 0.000 0.249 94 G C -2.389 172.652 174.900 0.235 0.000 1.236 94 G CA -0.668 44.599 45.100 0.280 0.000 0.880 94 G HN 0.341 nan 8.290 nan 0.000 0.586 95 P HA 0.138 nan 4.420 nan 0.000 0.268 95 P C 0.084 177.531 177.300 0.246 0.000 1.208 95 P CA 0.159 63.380 63.100 0.202 0.000 0.777 95 P CB 0.472 32.265 31.700 0.154 0.000 0.875 96 T N 3.747 118.393 114.554 0.153 0.000 2.727 96 T HA 0.296 4.647 4.350 0.001 0.000 0.295 96 T C 0.595 175.342 174.700 0.077 0.000 0.915 96 T CA 0.008 62.194 62.100 0.145 0.000 1.066 96 T CB -0.597 68.323 68.868 0.087 0.000 0.891 96 T HN 0.176 nan 8.240 nan 0.000 0.516 97 I N 3.160 123.773 120.570 0.071 0.000 2.472 97 I HA 0.352 4.522 4.170 0.001 0.000 0.290 97 I C 0.662 176.612 176.117 -0.279 0.000 1.016 97 I CA -0.312 60.899 61.300 -0.147 0.000 1.348 97 I CB 0.997 38.836 38.000 -0.268 0.000 1.417 97 I HN 0.526 nan 8.210 nan 0.000 0.521 98 E N 5.738 125.773 120.200 -0.275 0.000 2.263 98 E HA 0.621 4.972 4.350 0.001 0.000 0.268 98 E C -1.625 174.838 176.600 -0.229 0.000 0.884 98 E CA -0.596 55.663 56.400 -0.234 0.000 0.766 98 E CB 2.357 31.986 29.700 -0.118 0.000 1.196 98 E HN 0.454 nan 8.360 nan 0.000 0.416 99 V N 0.780 120.560 119.914 -0.224 0.000 3.159 99 V HA 0.679 4.800 4.120 0.001 0.000 0.308 99 V C -0.929 175.114 176.094 -0.084 0.000 1.190 99 V CA -1.148 61.070 62.300 -0.135 0.000 1.037 99 V CB 1.934 33.690 31.823 -0.112 0.000 1.060 99 V HN 0.626 nan 8.190 nan 0.000 0.437 100 R N 1.047 121.523 120.500 -0.041 0.000 2.486 100 R HA 0.540 4.881 4.340 0.001 0.000 0.286 100 R C 0.050 176.351 176.300 0.001 0.000 0.999 100 R CA -0.868 55.217 56.100 -0.026 0.000 0.993 100 R CB 1.506 31.795 30.300 -0.018 0.000 1.084 100 R HN 0.903 nan 8.270 nan 0.000 0.487 101 R N 0.733 121.232 120.500 -0.002 0.000 2.500 101 R HA -0.156 4.185 4.340 0.001 0.000 0.281 101 R C 0.707 177.032 176.300 0.042 0.000 0.953 101 R CA 1.858 57.973 56.100 0.025 0.000 1.108 101 R CB -0.154 30.152 30.300 0.010 0.000 0.901 101 R HN 0.942 nan 8.270 nan 0.000 0.410 102 G N 2.575 111.419 108.800 0.072 0.000 2.225 102 G HA2 -0.320 3.640 3.960 0.001 0.000 0.254 102 G HA3 -0.320 3.640 3.960 0.001 0.000 0.254 102 G C -0.204 174.737 174.900 0.068 0.000 0.988 102 G CA 0.321 45.461 45.100 0.068 0.000 0.625 102 G HN 0.650 nan 8.290 nan 0.000 0.527 103 Q N 0.821 120.661 119.800 0.066 0.000 2.307 103 Q HA 0.382 4.723 4.340 0.001 0.000 0.261 103 Q C 0.586 176.644 176.000 0.096 0.000 1.051 103 Q CA -0.269 55.571 55.803 0.062 0.000 0.911 103 Q CB 0.787 29.548 28.738 0.039 0.000 1.227 103 Q HN 0.425 nan 8.270 nan 0.000 0.418 104 R N 2.408 122.959 120.500 0.084 0.000 2.347 104 R HA 0.334 4.674 4.340 0.001 0.000 0.304 104 R C -1.141 175.211 176.300 0.087 0.000 1.072 104 R CA -0.119 56.040 56.100 0.099 0.000 0.980 104 R CB 0.593 30.935 30.300 0.070 0.000 0.986 104 R HN 0.368 nan 8.270 nan 0.000 0.448 105 V N 5.434 125.423 119.914 0.125 0.000 2.709 105 V HA 0.479 4.600 4.120 0.001 0.000 0.308 105 V C -0.550 175.571 176.094 0.045 0.000 1.062 105 V CA -0.816 61.546 62.300 0.103 0.000 0.901 105 V CB 2.222 34.154 31.823 0.181 0.000 1.003 105 V HN 0.803 nan 8.190 nan 0.000 0.425 106 R N 4.453 124.935 120.500 -0.030 0.000 2.480 106 R HA 0.725 5.066 4.340 0.001 0.000 0.306 106 R C -1.375 174.830 176.300 -0.160 0.000 0.958 106 R CA -0.571 55.459 56.100 -0.117 0.000 0.861 106 R CB 2.335 32.576 30.300 -0.097 0.000 1.171 106 R HN 0.559 nan 8.270 nan 0.000 0.445 107 I N 1.547 121.958 120.570 -0.265 0.000 2.509 107 I HA 0.395 4.565 4.170 0.001 0.000 0.293 107 I C -0.326 175.514 176.117 -0.461 0.000 1.020 107 I CA -0.794 60.245 61.300 -0.435 0.000 1.088 107 I CB 2.228 39.812 38.000 -0.692 0.000 1.267 107 I HN 0.644 nan 8.210 nan 0.000 0.430 108 A N 6.421 129.014 122.820 -0.378 0.000 2.444 108 A HA 0.403 4.723 4.320 0.001 0.000 0.332 108 A C -1.352 176.110 177.584 -0.204 0.000 1.430 108 A CA -0.373 51.530 52.037 -0.224 0.000 0.975 108 A CB -0.270 18.657 19.000 -0.121 0.000 1.147 108 A HN 0.692 nan 8.150 nan 0.000 0.524 109 W N 2.576 123.883 121.300 0.012 0.000 2.659 109 W HA 0.354 5.015 4.660 0.002 0.000 0.342 109 W C 0.045 176.590 176.519 0.043 0.000 1.287 109 W CA 0.096 57.478 57.345 0.061 0.000 1.460 109 W CB 0.477 29.992 29.460 0.092 0.000 1.503 109 W HN 0.494 nan 8.180 nan 0.000 0.483 110 T N 3.562 118.240 114.554 0.207 0.000 2.770 110 T HA 0.075 4.425 4.350 0.001 0.000 0.283 110 T C -0.121 174.617 174.700 0.064 0.000 0.988 110 T CA -0.842 61.309 62.100 0.086 0.000 0.957 110 T CB 0.606 69.484 68.868 0.017 0.000 0.930 110 T HN 0.167 nan 8.240 nan 0.000 0.443 111 N N 3.024 121.736 118.700 0.020 0.000 2.399 111 N HA 0.070 4.811 4.740 0.001 0.000 0.259 111 N C 0.349 175.844 175.510 -0.025 0.000 1.160 111 N CA -0.261 52.785 53.050 -0.007 0.000 0.946 111 N CB 0.367 38.858 38.487 0.006 0.000 1.156 111 N HN 0.440 nan 8.380 nan 0.000 0.489 112 R N 3.841 124.356 120.500 0.025 0.000 2.700 112 R HA 0.281 4.622 4.340 0.001 0.000 0.377 112 R C -0.190 176.225 176.300 0.191 0.000 1.130 112 R CA -0.306 55.885 56.100 0.152 0.000 1.055 112 R CB 0.212 30.565 30.300 0.088 0.000 1.387 112 R HN 0.502 nan 8.270 nan 0.000 0.580 113 I N 3.374 123.988 120.570 0.072 0.000 2.291 113 I HA 0.188 4.358 4.170 0.001 0.000 0.292 113 I C -2.079 173.968 176.117 -0.116 0.000 1.064 113 I CA -2.116 59.087 61.300 -0.160 0.000 1.269 113 I CB 0.932 38.546 38.000 -0.643 0.000 1.418 113 I HN -0.278 nan 8.210 nan 0.000 0.485 114 P HA 0.051 nan 4.420 nan 0.000 0.269 114 P C -0.461 176.575 177.300 -0.439 0.000 1.209 114 P CA -0.348 62.298 63.100 -0.756 0.000 0.776 114 P CB 0.509 31.919 31.700 -0.485 0.000 0.876 115 K N 1.381 121.490 120.400 -0.484 0.000 2.518 115 K HA 0.221 4.541 4.320 0.001 0.000 0.276 115 K C 1.522 178.057 176.600 -0.108 0.000 0.974 115 K CA 1.746 57.928 56.287 -0.174 0.000 0.986 115 K CB -0.594 31.836 32.500 -0.117 0.000 0.901 115 K HN 0.777 nan 8.250 nan 0.000 0.497 116 G N 1.377 110.164 108.800 -0.021 0.000 2.189 116 G HA2 -0.320 3.641 3.960 0.001 0.000 0.267 116 G HA3 -0.320 3.641 3.960 0.001 0.000 0.267 116 G C 0.051 174.973 174.900 0.037 0.000 0.975 116 G CA 0.483 45.588 45.100 0.008 0.000 0.644 116 G HN 0.578 nan 8.290 nan 0.000 0.537 117 S N 0.539 116.267 115.700 0.047 0.000 2.554 117 S HA 0.211 4.681 4.470 0.001 0.000 0.290 117 S C 0.575 175.280 174.600 0.176 0.000 1.309 117 S CA 0.113 58.385 58.200 0.120 0.000 1.047 117 S CB 1.061 64.362 63.200 0.168 0.000 0.828 117 S HN 0.489 nan 8.310 nan 0.000 0.509 118 E N 0.984 121.268 120.200 0.139 0.000 2.360 118 E HA 0.029 4.380 4.350 0.001 0.000 0.269 118 E C -0.863 175.773 176.600 0.060 0.000 1.022 118 E CA -0.213 56.243 56.400 0.095 0.000 0.887 118 E CB 0.391 30.116 29.700 0.041 0.000 0.990 118 E HN 0.566 nan 8.360 nan 0.000 0.426 119 Y N 5.927 126.187 120.300 -0.068 0.000 2.569 119 Y HA 0.061 4.612 4.550 0.001 0.000 0.332 119 Y C -1.739 173.921 175.900 -0.400 0.000 1.120 119 Y CA -1.597 56.344 58.100 -0.265 0.000 1.416 119 Y CB 0.881 39.205 38.460 -0.227 0.000 1.210 119 Y HN 0.520 nan 8.280 nan 0.000 0.528 120 P HA -0.080 nan 4.420 nan 0.000 0.223 120 P C -0.747 176.240 177.300 -0.522 0.000 1.151 120 P CA 0.986 63.580 63.100 -0.843 0.000 0.787 120 P CB 0.223 31.277 31.700 -1.077 0.000 0.788 121 V N 0.082 119.725 119.914 -0.451 0.000 2.357 121 V HA 0.203 4.324 4.120 0.001 0.000 0.284 121 V C 0.242 176.323 176.094 -0.022 0.000 1.018 121 V CA -0.449 61.772 62.300 -0.130 0.000 0.841 121 V CB 1.251 33.084 31.823 0.017 0.000 0.991 121 V HN -0.122 nan 8.190 nan 0.000 0.437 122 T N 3.747 118.278 114.554 -0.039 0.000 2.832 122 T HA 0.297 4.648 4.350 0.001 0.000 0.296 122 T C 0.244 174.937 174.700 -0.012 0.000 0.968 122 T CA 0.185 62.259 62.100 -0.043 0.000 1.107 122 T CB 1.114 69.975 68.868 -0.012 0.000 0.916 122 T HN 0.708 nan 8.240 nan 0.000 0.517 123 S N 2.464 118.114 115.700 -0.083 0.000 2.482 123 S HA 0.750 5.221 4.470 0.001 0.000 0.303 123 S C -0.567 174.073 174.600 0.067 0.000 1.091 123 S CA -0.702 57.519 58.200 0.035 0.000 1.057 123 S CB 0.500 63.589 63.200 -0.184 0.000 1.031 123 S HN 0.704 nan 8.310 nan 0.000 0.485 124 V N 1.860 121.869 119.914 0.157 0.000 3.049 124 V HA 0.751 4.872 4.120 0.001 0.000 0.309 124 V C -1.209 174.974 176.094 0.148 0.000 1.148 124 V CA -0.951 61.419 62.300 0.117 0.000 0.990 124 V CB 1.834 33.708 31.823 0.083 0.000 1.039 124 V HN 0.876 nan 8.190 nan 0.000 0.430 125 E N 1.911 122.180 120.200 0.116 0.000 2.187 125 E HA 0.698 5.049 4.350 0.001 0.000 0.268 125 E C -0.953 175.691 176.600 0.074 0.000 0.896 125 E CA -0.851 55.614 56.400 0.108 0.000 0.766 125 E CB 2.604 32.373 29.700 0.117 0.000 1.142 125 E HN 1.010 nan 8.360 nan 0.000 0.408 126 V N 0.080 120.032 119.914 0.063 0.000 2.823 126 V HA 0.631 4.751 4.120 0.001 0.000 0.312 126 V C -2.779 173.338 176.094 0.037 0.000 1.072 126 V CA -2.945 59.383 62.300 0.046 0.000 0.937 126 V CB 1.526 33.373 31.823 0.041 0.000 1.013 126 V HN 0.434 nan 8.190 nan 0.000 0.430 127 P HA 0.268 nan 4.420 nan 0.000 0.272 127 P C 1.247 178.556 177.300 0.015 0.000 1.240 127 P CA -0.321 62.792 63.100 0.022 0.000 0.791 127 P CB 0.682 32.392 31.700 0.018 0.000 0.978 128 L N 0.277 121.506 121.223 0.011 0.000 1.997 128 L HA -0.205 4.136 4.340 0.001 0.000 0.216 128 L C 1.318 178.185 176.870 -0.005 0.000 1.074 128 L CA 2.180 57.021 54.840 0.002 0.000 0.763 128 L CB -1.306 40.753 42.059 -0.001 0.000 0.890 128 L HN 0.807 nan 8.230 nan 0.000 0.434 129 G N -0.994 107.804 108.800 -0.003 0.000 2.916 129 G HA2 -0.218 3.742 3.960 0.001 0.000 0.533 129 G HA3 -0.218 3.742 3.960 0.001 0.000 0.533 129 G C -2.436 172.456 174.900 -0.014 0.000 1.516 129 G CA -0.679 44.416 45.100 -0.008 0.000 0.944 129 G HN 0.218 nan 8.290 nan 0.000 0.555 130 P HA 0.308 nan 4.420 nan 0.000 0.271 130 P C -2.015 175.272 177.300 -0.022 0.000 1.216 130 P CA -0.868 62.222 63.100 -0.016 0.000 0.771 130 P CB 0.302 31.992 31.700 -0.016 0.000 0.864 131 P HA 0.017 nan 4.420 nan 0.000 0.266 131 P C 0.905 178.188 177.300 -0.028 0.000 1.195 131 P CA 0.714 63.800 63.100 -0.024 0.000 0.768 131 P CB 0.276 31.964 31.700 -0.020 0.000 0.838 132 G N 1.535 110.314 108.800 -0.035 0.000 2.166 132 G HA2 -0.223 3.738 3.960 0.001 0.000 0.260 132 G HA3 -0.223 3.738 3.960 0.001 0.000 0.260 132 G C 0.306 175.181 174.900 -0.042 0.000 0.986 132 G CA 0.655 45.732 45.100 -0.039 0.000 0.683 132 G HN 0.940 nan 8.290 nan 0.000 0.527 133 T N -1.686 112.842 114.554 -0.043 0.000 2.945 133 T HA 0.701 5.052 4.350 0.001 0.000 0.286 133 T C -2.423 172.241 174.700 -0.061 0.000 1.025 133 T CA -1.716 60.355 62.100 -0.048 0.000 1.039 133 T CB 2.566 71.411 68.868 -0.039 0.000 1.068 133 T HN 0.017 nan 8.240 nan 0.000 0.497 134 P HA 0.342 nan 4.420 nan 0.000 0.266 134 P C -0.286 176.964 177.300 -0.084 0.000 1.195 134 P CA -0.226 62.818 63.100 -0.093 0.000 0.768 134 P CB 0.050 31.685 31.700 -0.108 0.000 0.838 135 A N 5.807 128.571 122.820 -0.094 0.000 2.406 135 A HA 0.244 4.565 4.320 0.001 0.000 0.243 135 A C -1.311 176.232 177.584 -0.069 0.000 1.082 135 A CA -0.795 51.197 52.037 -0.076 0.000 0.786 135 A CB -0.850 18.099 19.000 -0.085 0.000 1.029 135 A HN 0.426 nan 8.150 nan 0.000 0.495 136 P HA -0.104 nan 4.420 nan 0.000 0.228 136 P C 0.577 177.855 177.300 -0.037 0.000 1.151 136 P CA 1.223 64.305 63.100 -0.030 0.000 0.770 136 P CB -0.063 31.633 31.700 -0.007 0.000 0.786 137 N N -1.228 117.437 118.700 -0.058 0.000 2.398 137 N HA -0.057 4.683 4.740 0.001 0.000 0.188 137 N C 0.876 176.313 175.510 -0.122 0.000 1.122 137 N CA 0.906 53.907 53.050 -0.082 0.000 0.866 137 N CB -1.678 36.754 38.487 -0.092 0.000 0.970 137 N HN 0.108 nan 8.380 nan 0.000 0.462 138 T N -3.404 111.074 114.554 -0.128 0.000 3.252 138 T HA 0.190 4.541 4.350 0.001 0.000 0.250 138 T C -0.001 174.612 174.700 -0.146 0.000 1.123 138 T CA -0.142 61.855 62.100 -0.172 0.000 1.006 138 T CB -0.231 68.518 68.868 -0.199 0.000 0.992 138 T HN 0.203 nan 8.240 nan 0.000 0.547 139 E N 1.674 121.831 120.200 -0.071 0.000 2.340 139 E HA 0.427 4.778 4.350 0.001 0.000 0.273 139 E C -2.853 173.783 176.600 0.061 0.000 0.891 139 E CA -2.688 53.709 56.400 -0.005 0.000 0.757 139 E CB 2.666 32.367 29.700 0.001 0.000 1.231 139 E HN 0.130 nan 8.360 nan 0.000 0.439 140 P HA 0.309 nan 4.420 nan 0.000 0.277 140 P C -0.001 177.373 177.300 0.123 0.000 1.271 140 P CA 0.099 63.316 63.100 0.195 0.000 0.795 140 P CB 0.682 32.550 31.700 0.279 0.000 1.101 141 G N 0.312 109.181 108.800 0.114 0.000 2.730 141 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 141 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 141 G C 0.197 175.140 174.900 0.072 0.000 1.343 141 G CA -0.519 44.630 45.100 0.081 0.000 0.826 141 G HN 0.518 nan 8.290 nan 0.000 0.582 142 R N 0.837 121.372 120.500 0.058 0.000 2.317 142 R HA 0.417 4.758 4.340 0.001 0.000 0.208 142 R C 2.006 178.331 176.300 0.043 0.000 0.914 142 R CA 1.390 57.522 56.100 0.053 0.000 1.060 142 R CB 0.046 30.373 30.300 0.045 0.000 1.015 142 R HN 2.166 nan 8.270 nan 0.000 0.498 143 G N 0.126 108.949 108.800 0.039 0.000 2.531 143 G HA2 -0.350 3.611 3.960 0.001 0.000 0.274 143 G HA3 -0.350 3.611 3.960 0.001 0.000 0.274 143 G C 0.624 175.540 174.900 0.026 0.000 1.159 143 G CA -0.169 44.949 45.100 0.030 0.000 0.969 143 G HN 0.385 nan 8.290 nan 0.000 0.554 144 G N -0.456 108.358 108.800 0.023 0.000 3.233 144 G HA2 0.498 4.458 3.960 0.001 0.000 0.234 144 G HA3 0.498 4.458 3.960 0.001 0.000 0.234 144 G C 0.504 175.416 174.900 0.021 0.000 1.137 144 G CA 1.023 46.135 45.100 0.020 0.000 0.763 144 G HN 1.178 nan 8.290 nan 0.000 0.549 145 V N 1.542 121.471 119.914 0.025 0.000 2.614 145 V HA 0.155 4.276 4.120 0.001 0.000 0.291 145 V C 0.196 176.303 176.094 0.022 0.000 1.049 145 V CA -0.879 61.436 62.300 0.025 0.000 1.038 145 V CB 1.414 33.257 31.823 0.033 0.000 0.980 145 V HN 0.182 nan 8.190 nan 0.000 0.481 146 E N 4.943 125.152 120.200 0.015 0.000 2.384 146 E HA 0.192 4.543 4.350 0.001 0.000 0.266 146 E C -2.228 174.373 176.600 0.003 0.000 1.012 146 E CA -1.862 54.542 56.400 0.007 0.000 0.901 146 E CB 0.380 30.081 29.700 0.002 0.000 0.967 146 E HN 0.460 nan 8.360 nan 0.000 0.435 147 P HA -0.078 nan 4.420 nan 0.000 0.266 147 P C 0.048 177.321 177.300 -0.046 0.000 1.193 147 P CA 0.007 63.092 63.100 -0.025 0.000 0.770 147 P CB 0.389 32.068 31.700 -0.034 0.000 0.836 148 N N 3.031 121.687 118.700 -0.074 0.000 2.452 148 N HA -0.045 4.695 4.740 0.001 0.000 0.266 148 N C 0.833 176.256 175.510 -0.145 0.000 1.209 148 N CA 0.270 53.258 53.050 -0.103 0.000 0.929 148 N CB 0.375 38.788 38.487 -0.124 0.000 1.063 148 N HN 0.128 nan 8.380 nan 0.000 0.472 149 K N 2.613 122.950 120.400 -0.105 0.000 2.217 149 K HA -0.045 4.275 4.320 0.001 0.000 0.202 149 K C 0.675 177.193 176.600 -0.136 0.000 1.051 149 K CA 0.818 57.044 56.287 -0.101 0.000 0.952 149 K CB 0.105 32.566 32.500 -0.064 0.000 0.736 149 K HN 0.593 nan 8.250 nan 0.000 0.453 150 D N 0.619 120.928 120.400 -0.152 0.000 2.117 150 D HA -0.113 4.528 4.640 0.001 0.000 0.198 150 D C 2.023 178.137 176.300 -0.309 0.000 0.982 150 D CA 0.779 54.670 54.000 -0.181 0.000 0.828 150 D CB -0.193 40.526 40.800 -0.135 0.000 0.967 150 D HN -0.112 nan 8.370 nan 0.000 0.464 151 V N 1.679 121.312 119.914 -0.468 0.000 2.343 151 V HA -0.233 3.887 4.120 0.001 0.000 0.247 151 V C 2.557 178.281 176.094 -0.616 0.000 1.051 151 V CA 1.849 63.683 62.300 -0.778 0.000 1.036 151 V CB -0.840 30.302 31.823 -1.136 0.000 0.654 151 V HN 0.191 nan 8.190 nan 0.000 0.451 152 A N -0.240 122.370 122.820 -0.350 0.000 2.067 152 A HA 0.033 4.353 4.320 0.001 0.000 0.219 152 A C 2.218 179.732 177.584 -0.117 0.000 1.158 152 A CA 1.644 53.575 52.037 -0.178 0.000 0.661 152 A CB -0.491 18.443 19.000 -0.109 0.000 0.801 152 A HN 0.589 nan 8.150 nan 0.000 0.452 153 A N -0.764 121.964 122.820 -0.153 0.000 2.208 153 A HA 0.402 4.723 4.320 0.001 0.000 0.209 153 A C 0.816 178.347 177.584 -0.089 0.000 1.161 153 A CA -0.269 51.712 52.037 -0.093 0.000 0.782 153 A CB -0.377 18.568 19.000 -0.092 0.000 0.816 153 A HN 0.420 nan 8.150 nan 0.000 0.477 154 L N 2.329 123.438 121.223 -0.190 0.000 2.513 154 L HA 0.137 4.477 4.340 0.001 0.000 0.272 154 L C -1.739 175.209 176.870 0.130 0.000 1.187 154 L CA -1.301 53.459 54.840 -0.135 0.000 0.895 154 L CB 0.408 42.202 42.059 -0.441 0.000 1.147 154 L HN 0.228 nan 8.230 nan 0.000 0.483 155 P HA 0.155 nan 4.420 nan 0.000 0.276 155 P C -0.900 176.655 177.300 0.425 0.000 1.261 155 P CA -0.700 62.548 63.100 0.246 0.000 0.800 155 P CB 0.783 32.561 31.700 0.129 0.000 1.066 156 A N 0.931 123.943 122.820 0.319 0.000 2.484 156 A HA 0.241 4.562 4.320 0.001 0.000 0.268 156 A C -0.909 176.851 177.584 0.293 0.000 1.114 156 A CA 0.028 52.142 52.037 0.127 0.000 0.780 156 A CB -1.071 17.639 19.000 -0.483 0.000 1.061 156 A HN 0.629 nan 8.150 nan 0.000 0.505 157 W N 3.032 124.418 121.300 0.144 0.000 2.740 157 W HA 0.531 5.192 4.660 0.001 0.000 0.316 157 W C -0.580 176.014 176.519 0.125 0.000 1.020 157 W CA -0.227 57.186 57.345 0.113 0.000 1.278 157 W CB 1.303 30.831 29.460 0.115 0.000 1.224 157 W HN 0.678 nan 8.180 nan 0.000 0.393 158 S N 4.237 119.829 115.700 -0.179 0.000 2.549 158 S HA 0.851 5.321 4.470 0.001 0.000 0.280 158 S C -2.107 172.346 174.600 -0.245 0.000 1.109 158 S CA -0.620 57.475 58.200 -0.175 0.000 0.905 158 S CB 1.682 64.869 63.200 -0.022 0.000 1.081 158 S HN 0.521 nan 8.310 nan 0.000 0.477 159 V N 3.150 122.931 119.914 -0.222 0.000 2.841 159 V HA 0.716 4.837 4.120 0.001 0.000 0.310 159 V C -0.822 175.174 176.094 -0.164 0.000 1.090 159 V CA -0.172 62.017 62.300 -0.185 0.000 0.930 159 V CB 2.362 34.047 31.823 -0.230 0.000 1.014 159 V HN 0.983 nan 8.190 nan 0.000 0.425 160 T N 4.740 119.120 114.554 -0.290 0.000 2.794 160 T HA 0.477 4.828 4.350 0.001 0.000 0.280 160 T C -1.222 173.208 174.700 -0.449 0.000 0.987 160 T CA -0.030 61.767 62.100 -0.505 0.000 0.993 160 T CB 0.596 68.719 68.868 -1.241 0.000 0.939 160 T HN 0.846 nan 8.240 nan 0.000 0.449 161 H N 2.926 121.700 119.070 -0.493 0.000 2.511 161 H HA 0.531 5.088 4.556 0.001 0.000 0.328 161 H C -0.837 174.193 175.328 -0.497 0.000 1.044 161 H CA -1.110 54.690 56.048 -0.412 0.000 1.212 161 H CB 0.636 30.214 29.762 -0.307 0.000 1.428 161 H HN 0.342 nan 8.280 nan 0.000 0.483 162 L N 6.536 127.289 121.223 -0.784 0.000 2.385 162 L HA 0.171 4.512 4.340 0.001 0.000 0.285 162 L C -0.416 175.750 176.870 -1.173 0.000 1.125 162 L CA -0.034 54.308 54.840 -0.830 0.000 0.890 162 L CB -1.023 40.494 42.059 -0.903 0.000 1.251 162 L HN 0.828 nan 8.230 nan 0.000 0.445 163 H N 4.606 122.963 119.070 -1.188 0.000 3.091 163 H HA 0.412 4.968 4.556 0.001 0.000 0.289 163 H C 1.280 176.230 175.328 -0.631 0.000 0.995 163 H CA 1.198 56.724 56.048 -0.870 0.000 1.461 163 H CB 0.441 29.798 29.762 -0.675 0.000 1.510 163 H HN 0.905 nan 8.280 nan 0.000 0.546 164 G N 2.634 111.103 108.800 -0.551 0.000 2.259 164 G HA2 -0.264 3.697 3.960 0.001 0.000 0.217 164 G HA3 -0.264 3.697 3.960 0.001 0.000 0.217 164 G C 0.420 174.448 174.900 -1.454 0.000 1.001 164 G CA -0.133 44.533 45.100 -0.724 0.000 0.627 164 G HN 0.965 nan 8.290 nan 0.000 0.501 165 A N 0.523 122.319 122.820 -1.708 0.000 2.511 165 A HA 0.534 4.855 4.320 0.001 0.000 0.242 165 A C 0.629 177.775 177.584 -0.729 0.000 1.069 165 A CA 1.218 52.194 52.037 -1.768 0.000 0.763 165 A CB 0.307 18.607 19.000 -1.167 0.000 1.001 165 A HN 0.852 nan 8.150 nan 0.000 0.498 166 Q N 1.820 121.364 119.800 -0.428 0.000 2.441 166 Q HA 0.441 4.782 4.340 0.001 0.000 0.234 166 Q C -0.333 175.677 176.000 0.016 0.000 1.078 166 Q CA 0.064 55.810 55.803 -0.095 0.000 0.907 166 Q CB 0.405 29.200 28.738 0.095 0.000 1.269 166 Q HN 0.818 nan 8.270 nan 0.000 0.502 167 T N 1.448 116.039 114.554 0.061 0.000 2.802 167 T HA 0.622 4.973 4.350 0.001 0.000 0.311 167 T C -0.408 174.476 174.700 0.306 0.000 1.405 167 T CA -0.068 62.135 62.100 0.173 0.000 1.016 167 T CB 1.198 70.204 68.868 0.231 0.000 1.352 167 T HN 0.655 nan 8.240 nan 0.000 0.498 168 G N 0.157 109.119 108.800 0.269 0.000 2.594 168 G HA2 0.429 4.389 3.960 0.001 0.000 0.243 168 G HA3 0.429 4.389 3.960 0.001 0.000 0.243 168 G C 1.326 176.327 174.900 0.169 0.000 1.229 168 G CA 0.109 45.396 45.100 0.312 0.000 0.843 168 G HN 1.096 nan 8.290 nan 0.000 0.578 169 G N 0.388 109.016 108.800 -0.288 0.000 2.507 169 G HA2 -0.116 3.845 3.960 0.001 0.000 0.221 169 G HA3 -0.116 3.845 3.960 0.001 0.000 0.221 169 G C 1.684 176.466 174.900 -0.198 0.000 1.119 169 G CA 1.382 46.113 45.100 -0.616 0.000 0.751 169 G HN 0.998 nan 8.290 nan 0.000 0.574 170 G N -0.037 108.696 108.800 -0.113 0.000 2.598 170 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 170 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 170 G C 1.492 176.383 174.900 -0.016 0.000 1.131 170 G CA 0.705 45.765 45.100 -0.066 0.000 0.785 170 G HN 0.450 nan 8.290 nan 0.000 0.539 171 N N 0.060 118.770 118.700 0.017 0.000 2.294 171 N HA 0.010 4.751 4.740 0.001 0.000 0.186 171 N C 1.031 176.616 175.510 0.126 0.000 1.107 171 N CA 0.242 53.304 53.050 0.020 0.000 0.884 171 N CB 0.339 38.809 38.487 -0.028 0.000 1.030 171 N HN 0.171 nan 8.380 nan 0.000 0.482 172 D N 0.614 121.112 120.400 0.164 0.000 2.312 172 D HA 0.029 4.670 4.640 0.001 0.000 0.211 172 D C 0.650 177.088 176.300 0.230 0.000 0.964 172 D CA 0.705 54.867 54.000 0.269 0.000 0.877 172 D CB -0.038 40.969 40.800 0.344 0.000 0.924 172 D HN 0.325 nan 8.370 nan 0.000 0.515 173 G N 0.494 109.357 108.800 0.105 0.000 2.370 173 G HA2 -0.258 3.702 3.960 0.001 0.000 0.268 173 G HA3 -0.258 3.702 3.960 0.001 0.000 0.268 173 G C -0.081 174.749 174.900 -0.118 0.000 1.122 173 G CA -0.141 44.952 45.100 -0.011 0.000 0.963 173 G HN 0.341 nan 8.290 nan 0.000 0.500 174 W N 0.730 121.913 121.300 -0.195 0.000 2.443 174 W HA 0.227 4.887 4.660 0.001 0.000 0.335 174 W C 1.077 177.461 176.519 -0.225 0.000 1.382 174 W CA 0.376 57.587 57.345 -0.223 0.000 1.305 174 W CB 0.298 29.666 29.460 -0.153 0.000 1.283 174 W HN 0.710 nan 8.180 nan 0.000 0.567 175 A N 4.847 127.089 122.820 -0.963 0.000 1.940 175 A HA -0.311 4.010 4.320 0.001 0.000 0.221 175 A C 1.734 179.040 177.584 -0.462 0.000 1.190 175 A CA 2.271 53.897 52.037 -0.685 0.000 0.647 175 A CB -0.533 18.027 19.000 -0.734 0.000 0.821 175 A HN 0.720 nan 8.150 nan 0.000 0.457 176 D N -0.472 119.710 120.400 -0.363 0.000 2.310 176 D HA -0.071 4.569 4.640 0.001 0.000 0.212 176 D C 0.572 176.981 176.300 0.183 0.000 0.965 176 D CA 0.776 54.852 54.000 0.125 0.000 0.879 176 D CB -0.472 40.599 40.800 0.451 0.000 0.921 176 D HN 0.642 nan 8.370 nan 0.000 0.510 177 N N 0.475 119.248 118.700 0.121 0.000 2.575 177 N HA 0.257 4.998 4.740 0.001 0.000 0.275 177 N C -0.152 175.304 175.510 -0.089 0.000 1.202 177 N CA -0.530 52.588 53.050 0.112 0.000 0.945 177 N CB 0.717 39.313 38.487 0.182 0.000 1.247 177 N HN 0.019 nan 8.380 nan 0.000 0.510 178 A N 0.685 123.260 122.820 -0.409 0.000 2.304 178 A HA 0.522 4.842 4.320 0.001 0.000 0.271 178 A C 0.332 177.684 177.584 -0.387 0.000 1.091 178 A CA -0.407 51.197 52.037 -0.722 0.000 0.812 178 A CB 0.511 18.528 19.000 -1.638 0.000 1.056 178 A HN 0.113 nan 8.150 nan 0.000 0.489 179 V N -0.837 118.957 119.914 -0.200 0.000 2.769 179 V HA 0.898 5.019 4.120 0.001 0.000 0.312 179 V C 0.457 176.675 176.094 0.206 0.000 1.061 179 V CA -0.098 62.258 62.300 0.094 0.000 0.931 179 V CB 1.134 32.993 31.823 0.061 0.000 1.010 179 V HN 1.305 nan 8.190 nan 0.000 0.433 180 G N 1.196 110.167 108.800 0.285 0.000 2.537 180 G HA2 0.497 4.458 3.960 0.001 0.000 0.297 180 G HA3 0.497 4.458 3.960 0.001 0.000 0.297 180 G C -0.591 174.405 174.900 0.160 0.000 1.310 180 G CA -0.893 44.363 45.100 0.261 0.000 1.027 180 G HN 1.012 nan 8.290 nan 0.000 0.505 181 F N 0.582 120.557 119.950 0.041 0.000 2.604 181 F HA 0.309 4.837 4.527 0.001 0.000 0.393 181 F C 1.433 177.243 175.800 0.016 0.000 1.043 181 F CA 1.542 59.543 58.000 0.002 0.000 1.227 181 F CB 0.289 39.284 39.000 -0.009 0.000 1.016 181 F HN 1.075 nan 8.300 nan 0.000 0.556 182 G N 3.460 111.738 108.800 -0.869 0.000 2.241 182 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 182 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 182 G C -0.133 174.580 174.900 -0.311 0.000 0.998 182 G CA 0.113 44.746 45.100 -0.777 0.000 0.621 182 G HN 0.686 nan 8.290 nan 0.000 0.519 183 D N 0.786 121.087 120.400 -0.166 0.000 2.268 183 D HA 0.743 5.383 4.640 0.001 0.000 0.249 183 D C 0.480 176.763 176.300 -0.027 0.000 1.008 183 D CA 0.665 54.627 54.000 -0.063 0.000 0.939 183 D CB 1.660 42.460 40.800 -0.001 0.000 1.170 183 D HN 0.708 nan 8.370 nan 0.000 0.468 184 A N 0.616 123.435 122.820 -0.002 0.000 2.354 184 A HA 0.481 4.802 4.320 0.001 0.000 0.321 184 A C -0.678 176.944 177.584 0.063 0.000 1.125 184 A CA -0.678 51.379 52.037 0.034 0.000 0.799 184 A CB 1.576 20.583 19.000 0.011 0.000 1.293 184 A HN 0.449 nan 8.150 nan 0.000 0.452 185 Q N 1.416 121.291 119.800 0.125 0.000 2.325 185 Q HA 0.594 4.934 4.340 0.001 0.000 0.262 185 Q C -1.776 174.324 176.000 0.166 0.000 0.968 185 Q CA -0.396 55.496 55.803 0.148 0.000 0.877 185 Q CB 0.831 29.685 28.738 0.193 0.000 1.253 185 Q HN 0.701 nan 8.270 nan 0.000 0.448 186 L N 2.678 123.948 121.223 0.078 0.000 2.282 186 L HA 0.513 4.853 4.340 0.001 0.000 0.288 186 L C -0.457 176.406 176.870 -0.012 0.000 1.033 186 L CA -0.594 54.251 54.840 0.008 0.000 0.807 186 L CB 1.781 43.822 42.059 -0.031 0.000 1.209 186 L HN 0.568 nan 8.230 nan 0.000 0.423 187 S N 1.781 117.422 115.700 -0.100 0.000 2.500 187 S HA 0.392 4.862 4.470 0.001 0.000 0.301 187 S C -0.724 173.579 174.600 -0.494 0.000 1.092 187 S CA -0.736 57.286 58.200 -0.297 0.000 1.030 187 S CB 2.261 65.247 63.200 -0.356 0.000 1.031 187 S HN 0.610 nan 8.310 nan 0.000 0.483 188 E N 1.673 121.612 120.200 -0.434 0.000 2.166 188 E HA 0.405 4.755 4.350 0.001 0.000 0.275 188 E C -1.763 174.614 176.600 -0.371 0.000 0.941 188 E CA -0.571 55.637 56.400 -0.320 0.000 0.784 188 E CB 0.648 30.280 29.700 -0.113 0.000 1.115 188 E HN 0.580 nan 8.360 nan 0.000 0.399 189 Y N 4.769 125.128 120.300 0.098 0.000 2.376 189 Y HA 0.297 4.848 4.550 0.001 0.000 0.326 189 Y C -2.010 173.981 175.900 0.151 0.000 0.970 189 Y CA -2.694 55.483 58.100 0.129 0.000 1.248 189 Y CB 1.751 40.322 38.460 0.184 0.000 1.117 189 Y HN 0.571 nan 8.280 nan 0.000 0.476 190 P HA -0.030 nan 4.420 nan 0.000 0.231 190 P C -0.466 176.975 177.300 0.235 0.000 1.168 190 P CA 0.858 64.079 63.100 0.202 0.000 0.779 190 P CB 0.215 32.007 31.700 0.153 0.000 0.844 191 N N -1.820 117.079 118.700 0.332 0.000 2.725 191 N HA -0.196 4.545 4.740 0.001 0.000 0.249 191 N C -0.355 175.305 175.510 0.251 0.000 1.103 191 N CA 0.349 53.608 53.050 0.348 0.000 0.707 191 N CB -1.676 36.982 38.487 0.285 0.000 1.043 191 N HN 0.160 nan 8.380 nan 0.000 0.553 192 D N 0.538 121.081 120.400 0.240 0.000 2.713 192 D HA 0.063 4.704 4.640 0.001 0.000 0.229 192 D C -0.601 175.828 176.300 0.215 0.000 1.136 192 D CA 0.470 54.572 54.000 0.170 0.000 1.010 192 D CB -0.128 40.743 40.800 0.118 0.000 1.084 192 D HN 0.383 nan 8.370 nan 0.000 0.495 193 H N 0.683 119.812 119.070 0.098 0.000 3.046 193 H HA 0.184 4.741 4.556 0.001 0.000 0.361 193 H C -0.704 174.609 175.328 -0.025 0.000 1.235 193 H CA -0.613 55.480 56.048 0.075 0.000 1.146 193 H CB 1.689 31.599 29.762 0.245 0.000 1.859 193 H HN 0.275 nan 8.280 nan 0.000 0.548 194 Q N 1.875 121.531 119.800 -0.240 0.000 2.443 194 Q HA 0.517 4.858 4.340 0.001 0.000 0.232 194 Q C -0.334 175.685 176.000 0.030 0.000 1.026 194 Q CA -0.497 55.238 55.803 -0.114 0.000 0.924 194 Q CB 0.812 29.421 28.738 -0.215 0.000 1.256 194 Q HN 0.565 nan 8.270 nan 0.000 0.519 195 A N 1.432 124.236 122.820 -0.026 0.000 2.567 195 A HA 0.310 4.631 4.320 0.001 0.000 0.240 195 A C 0.166 177.714 177.584 -0.059 0.000 1.053 195 A CA 1.005 53.007 52.037 -0.059 0.000 0.755 195 A CB 0.029 19.004 19.000 -0.041 0.000 0.978 195 A HN 0.757 nan 8.150 nan 0.000 0.507 196 T N 0.523 114.974 114.554 -0.172 0.000 2.700 196 T HA 0.377 4.728 4.350 0.001 0.000 0.307 196 T C -1.430 173.131 174.700 -0.232 0.000 1.580 196 T CA -0.503 61.499 62.100 -0.163 0.000 0.992 196 T CB 1.085 69.879 68.868 -0.124 0.000 1.577 196 T HN 0.863 nan 8.240 nan 0.000 0.496 197 Q N 1.852 121.592 119.800 -0.099 0.000 2.360 197 Q HA 0.386 4.726 4.340 0.001 0.000 0.254 197 Q C -1.018 175.076 176.000 0.156 0.000 0.975 197 Q CA -0.690 55.115 55.803 0.004 0.000 0.912 197 Q CB 0.482 29.252 28.738 0.053 0.000 1.212 197 Q HN 0.490 nan 8.270 nan 0.000 0.452 198 W N 3.967 125.365 121.300 0.164 0.000 2.353 198 W HA 0.494 5.155 4.660 0.001 0.000 0.377 198 W C -0.056 176.658 176.519 0.326 0.000 1.375 198 W CA -0.884 56.557 57.345 0.160 0.000 1.503 198 W CB 0.663 30.093 29.460 -0.049 0.000 1.345 198 W HN 0.627 nan 8.180 nan 0.000 0.683 199 W N 1.572 123.011 121.300 0.232 0.000 3.118 199 W HA 0.533 5.194 4.660 0.001 0.000 0.328 199 W C -2.147 174.452 176.519 0.134 0.000 1.239 199 W CA -2.145 55.291 57.345 0.152 0.000 1.176 199 W CB -0.168 29.317 29.460 0.043 0.000 1.433 199 W HN 0.538 nan 8.180 nan 0.000 0.562 200 Y N 0.481 120.763 120.300 -0.029 0.000 2.499 200 Y HA 0.804 5.354 4.550 0.001 0.000 0.347 200 Y C -0.755 174.999 175.900 -0.243 0.000 0.987 200 Y CA -1.221 56.644 58.100 -0.393 0.000 1.044 200 Y CB 1.665 39.903 38.460 -0.369 0.000 1.245 200 Y HN 0.741 nan 8.280 nan 0.000 0.461 201 H N -1.473 117.457 119.070 -0.232 0.000 2.987 201 H HA 0.373 4.929 4.556 0.001 0.000 0.316 201 H C -1.912 173.438 175.328 0.037 0.000 1.380 201 H CA -1.276 54.751 56.048 -0.035 0.000 1.160 201 H CB 0.923 30.551 29.762 -0.223 0.000 1.865 201 H HN 0.747 nan 8.280 nan 0.000 0.521 202 D N -0.620 119.938 120.400 0.263 0.000 2.423 202 D HA 0.042 4.682 4.640 0.001 0.000 0.238 202 D C 0.060 176.439 176.300 0.131 0.000 1.142 202 D CA 0.458 54.542 54.000 0.140 0.000 0.884 202 D CB 0.455 41.337 40.800 0.137 0.000 1.199 202 D HN 0.699 nan 8.370 nan 0.000 0.438 203 H N 1.580 120.595 119.070 -0.091 0.000 2.904 203 H HA 0.327 4.883 4.556 0.001 0.000 0.242 203 H C -0.964 174.198 175.328 -0.276 0.000 1.193 203 H CA -0.281 55.668 56.048 -0.165 0.000 0.946 203 H CB 0.113 29.747 29.762 -0.214 0.000 2.135 203 H HN 0.433 nan 8.280 nan 0.000 0.652 204 A N 1.477 124.214 122.820 -0.139 0.000 2.477 204 A HA 0.241 4.562 4.320 0.001 0.000 0.246 204 A C 0.682 178.145 177.584 -0.202 0.000 1.078 204 A CA -0.377 51.474 52.037 -0.309 0.000 0.770 204 A CB -0.021 18.761 19.000 -0.363 0.000 1.011 204 A HN 0.434 nan 8.150 nan 0.000 0.494 205 M N 3.367 122.839 119.600 -0.214 0.000 2.327 205 M HA 0.090 4.570 4.480 0.001 0.000 0.353 205 M C 0.631 176.959 176.300 0.048 0.000 1.539 205 M CA 1.143 56.376 55.300 -0.111 0.000 1.039 205 M CB -0.881 31.701 32.600 -0.030 0.000 1.967 205 M HN 0.851 nan 8.290 nan 0.000 0.459 206 N N 2.519 121.170 118.700 -0.080 0.000 2.920 206 N HA -0.242 4.499 4.740 0.001 0.000 0.199 206 N C 0.358 175.828 175.510 -0.067 0.000 0.997 206 N CA 2.018 55.040 53.050 -0.046 0.000 1.034 206 N CB -1.633 36.892 38.487 0.064 0.000 0.977 206 N HN 0.862 nan 8.380 nan 0.000 0.579 207 I N -3.976 116.588 120.570 -0.009 0.000 4.225 207 I HA 0.330 4.501 4.170 0.001 0.000 0.327 207 I C 1.180 177.264 176.117 -0.055 0.000 1.422 207 I CA -0.106 61.226 61.300 0.053 0.000 1.150 207 I CB 0.426 38.627 38.000 0.336 0.000 1.192 207 I HN -0.216 nan 8.210 nan 0.000 0.440 208 T N 2.574 117.032 114.554 -0.160 0.000 2.721 208 T HA -0.222 4.128 4.350 0.001 0.000 0.268 208 T C 1.999 176.554 174.700 -0.242 0.000 1.038 208 T CA 2.431 64.423 62.100 -0.180 0.000 1.145 208 T CB -0.426 68.266 68.868 -0.292 0.000 0.858 208 T HN 0.593 nan 8.240 nan 0.000 0.459 209 R N -0.222 120.000 120.500 -0.465 0.000 2.189 209 R HA -0.085 4.256 4.340 0.001 0.000 0.223 209 R C 1.790 177.740 176.300 -0.582 0.000 1.092 209 R CA 1.117 56.873 56.100 -0.573 0.000 0.989 209 R CB -0.362 29.456 30.300 -0.805 0.000 0.876 209 R HN 0.450 nan 8.270 nan 0.000 0.457 210 W N 1.216 122.410 121.300 -0.177 0.000 2.644 210 W HA 0.184 4.844 4.660 0.001 0.000 0.279 210 W C 1.635 178.162 176.519 0.013 0.000 1.164 210 W CA -0.251 57.027 57.345 -0.112 0.000 1.457 210 W CB -1.010 28.411 29.460 -0.065 0.000 1.087 210 W HN 0.101 nan 8.180 nan 0.000 0.573 211 N N 0.914 119.792 118.700 0.297 0.000 2.094 211 N HA -0.153 4.588 4.740 0.001 0.000 0.191 211 N C 1.753 177.355 175.510 0.153 0.000 1.023 211 N CA 1.688 54.889 53.050 0.252 0.000 0.857 211 N CB -0.912 37.736 38.487 0.268 0.000 1.013 211 N HN -0.118 nan 8.380 nan 0.000 0.426 212 V N 1.193 121.166 119.914 0.099 0.000 2.307 212 V HA -0.159 3.961 4.120 0.001 0.000 0.245 212 V C 2.339 178.481 176.094 0.079 0.000 1.045 212 V CA 1.415 63.785 62.300 0.117 0.000 1.024 212 V CB -0.475 31.373 31.823 0.042 0.000 0.651 212 V HN 0.318 nan 8.190 nan 0.000 0.449 213 M N 0.373 119.962 119.600 -0.018 0.000 2.202 213 M HA -0.195 4.285 4.480 0.001 0.000 0.262 213 M C 2.026 178.300 176.300 -0.042 0.000 1.063 213 M CA 2.139 57.400 55.300 -0.065 0.000 1.097 213 M CB -0.297 32.229 32.600 -0.123 0.000 1.382 213 M HN 0.342 nan 8.290 nan 0.000 0.413 214 A N -0.630 122.144 122.820 -0.076 0.000 2.070 214 A HA 0.105 4.425 4.320 0.001 0.000 0.220 214 A C 1.780 179.315 177.584 -0.081 0.000 1.159 214 A CA 1.483 53.377 52.037 -0.238 0.000 0.656 214 A CB -0.772 17.930 19.000 -0.497 0.000 0.800 214 A HN 0.816 nan 8.150 nan 0.000 0.453 215 G N -2.336 106.530 108.800 0.110 0.000 2.370 215 G HA2 -0.078 3.883 3.960 0.001 0.000 0.174 215 G HA3 -0.078 3.883 3.960 0.001 0.000 0.174 215 G C 0.089 175.101 174.900 0.187 0.000 1.002 215 G CA -0.128 45.083 45.100 0.185 0.000 0.730 215 G HN 0.330 nan 8.290 nan 0.000 0.497 216 L N 2.178 123.538 121.223 0.229 0.000 2.399 216 L HA 0.546 4.887 4.340 0.001 0.000 0.257 216 L C 0.135 177.353 176.870 0.579 0.000 1.236 216 L CA -0.703 54.234 54.840 0.162 0.000 1.144 216 L CB -0.830 41.232 42.059 0.004 0.000 1.379 216 L HN 0.424 nan 8.230 nan 0.000 0.414 217 Y N -0.664 119.864 120.300 0.379 0.000 2.552 217 Y HA 0.893 5.444 4.550 0.001 0.000 0.337 217 Y C -0.215 175.707 175.900 0.037 0.000 1.094 217 Y CA -1.074 57.184 58.100 0.262 0.000 1.028 217 Y CB 1.590 40.264 38.460 0.357 0.000 1.321 217 Y HN 0.160 nan 8.280 nan 0.000 0.456 218 G N 0.400 108.957 108.800 -0.405 0.000 2.559 218 G HA2 0.491 4.451 3.960 0.001 0.000 0.291 218 G HA3 0.491 4.451 3.960 0.001 0.000 0.291 218 G C -1.898 172.758 174.900 -0.407 0.000 1.424 218 G CA -0.618 44.173 45.100 -0.514 0.000 0.786 218 G HN 0.773 nan 8.290 nan 0.000 0.485 219 T N -1.526 113.047 114.554 0.033 0.000 2.940 219 T HA 0.697 5.048 4.350 0.001 0.000 0.288 219 T C -1.899 173.080 174.700 0.466 0.000 1.045 219 T CA -0.505 61.766 62.100 0.285 0.000 1.018 219 T CB 1.454 70.455 68.868 0.221 0.000 1.151 219 T HN 0.803 nan 8.240 nan 0.000 0.529 220 Y N 2.479 122.959 120.300 0.299 0.000 2.301 220 Y HA 0.527 5.078 4.550 0.002 0.000 0.325 220 Y C -1.731 174.226 175.900 0.095 0.000 1.103 220 Y CA -0.918 57.331 58.100 0.250 0.000 1.182 220 Y CB 0.754 39.420 38.460 0.343 0.000 1.139 220 Y HN 0.527 nan 8.280 nan 0.000 0.443 221 L N 6.895 128.128 121.223 0.017 0.000 2.282 221 L HA 0.653 4.993 4.340 0.001 0.000 0.288 221 L C -0.623 176.153 176.870 -0.156 0.000 1.033 221 L CA -1.248 53.561 54.840 -0.051 0.000 0.807 221 L CB 1.418 43.452 42.059 -0.042 0.000 1.209 221 L HN 0.320 nan 8.230 nan 0.000 0.423 222 V N 3.811 123.597 119.914 -0.212 0.000 2.472 222 V HA 0.507 4.627 4.120 0.001 0.000 0.290 222 V C 0.102 176.112 176.094 -0.140 0.000 1.037 222 V CA -0.792 61.379 62.300 -0.214 0.000 0.908 222 V CB 1.546 33.147 31.823 -0.370 0.000 0.985 222 V HN 0.639 nan 8.190 nan 0.000 0.454 223 R N 3.312 123.755 120.500 -0.095 0.000 2.664 223 R HA 0.696 5.037 4.340 0.001 0.000 0.286 223 R C -0.859 175.414 176.300 -0.045 0.000 0.967 223 R CA -0.748 55.315 56.100 -0.062 0.000 0.933 223 R CB 1.918 32.187 30.300 -0.052 0.000 1.146 223 R HN 0.999 nan 8.270 nan 0.000 0.468 224 D N -1.345 119.035 120.400 -0.033 0.000 2.752 224 D HA 0.218 4.858 4.640 0.001 0.000 0.313 224 D C -0.238 176.052 176.300 -0.017 0.000 1.225 224 D CA -0.542 53.444 54.000 -0.023 0.000 0.976 224 D CB 0.471 41.257 40.800 -0.023 0.000 1.443 224 D HN 0.123 nan 8.370 nan 0.000 0.515 225 D N -0.479 119.914 120.400 -0.013 0.000 2.162 225 D HA -0.091 4.550 4.640 0.001 0.000 0.203 225 D C 1.436 177.732 176.300 -0.007 0.000 0.967 225 D CA 0.884 54.878 54.000 -0.010 0.000 0.840 225 D CB 0.124 40.919 40.800 -0.008 0.000 0.972 225 D HN 0.666 nan 8.370 nan 0.000 0.482 226 E N 1.092 121.288 120.200 -0.006 0.000 2.038 226 E HA -0.225 4.126 4.350 0.001 0.000 0.195 226 E C 1.930 178.531 176.600 0.001 0.000 1.000 226 E CA 1.065 57.465 56.400 0.000 0.000 0.803 226 E CB 0.087 29.791 29.700 0.007 0.000 0.750 226 E HN 0.227 nan 8.360 nan 0.000 0.448 227 E N 0.006 120.206 120.200 -0.000 0.000 2.077 227 E HA -0.224 4.127 4.350 0.001 0.000 0.193 227 E C 1.626 178.226 176.600 -0.000 0.000 0.989 227 E CA 1.493 57.894 56.400 0.002 0.000 0.800 227 E CB 0.007 29.705 29.700 -0.004 0.000 0.746 227 E HN 0.261 nan 8.360 nan 0.000 0.452 228 D N 0.152 120.548 120.400 -0.006 0.000 2.149 228 D HA -0.156 4.485 4.640 0.001 0.000 0.198 228 D C 1.638 177.936 176.300 -0.003 0.000 0.990 228 D CA 1.345 55.342 54.000 -0.007 0.000 0.839 228 D CB -0.269 40.525 40.800 -0.010 0.000 0.948 228 D HN 0.291 nan 8.370 nan 0.000 0.460 229 A N -0.068 122.749 122.820 -0.005 0.000 2.168 229 A HA -0.003 4.318 4.320 0.001 0.000 0.215 229 A C 2.063 179.640 177.584 -0.011 0.000 1.152 229 A CA 0.339 52.371 52.037 -0.009 0.000 0.716 229 A CB -0.496 18.497 19.000 -0.012 0.000 0.794 229 A HN 0.226 nan 8.150 nan 0.000 0.465 230 L N -0.741 120.483 121.223 0.002 0.000 2.552 230 L HA 0.096 4.437 4.340 0.001 0.000 0.227 230 L C 1.593 178.502 176.870 0.063 0.000 1.146 230 L CA 0.387 55.235 54.840 0.013 0.000 0.858 230 L CB -0.421 41.656 42.059 0.031 0.000 0.969 230 L HN 0.516 nan 8.230 nan 0.000 0.451 231 G N 1.626 110.455 108.800 0.048 0.000 2.396 231 G HA2 -0.285 3.676 3.960 0.001 0.000 0.288 231 G HA3 -0.285 3.676 3.960 0.001 0.000 0.288 231 G C 0.117 175.096 174.900 0.131 0.000 0.926 231 G CA 0.075 45.217 45.100 0.069 0.000 1.211 231 G HN 0.254 nan 8.290 nan 0.000 0.496 232 L N 0.278 121.531 121.223 0.049 0.000 2.453 232 L HA 0.346 4.686 4.340 0.001 0.000 0.261 232 L C -1.288 175.455 176.870 -0.211 0.000 1.179 232 L CA -2.131 52.650 54.840 -0.100 0.000 0.813 232 L CB 0.277 42.296 42.059 -0.068 0.000 1.110 232 L HN 0.010 nan 8.230 nan 0.000 0.466 233 P HA -0.033 nan 4.420 nan 0.000 0.263 233 P C -0.803 176.404 177.300 -0.154 0.000 1.168 233 P CA 0.368 63.306 63.100 -0.270 0.000 0.759 233 P CB 0.510 32.041 31.700 -0.282 0.000 0.782 234 S N 0.774 116.398 115.700 -0.126 0.000 2.776 234 S HA 0.804 5.275 4.470 0.001 0.000 0.292 234 S C 0.496 175.055 174.600 -0.069 0.000 1.187 234 S CA -0.198 57.955 58.200 -0.077 0.000 0.834 234 S CB 1.250 64.416 63.200 -0.056 0.000 1.199 234 S HN 0.786 nan 8.310 nan 0.000 0.514 235 G N 1.454 110.231 108.800 -0.038 0.000 2.591 235 G HA2 -0.322 3.639 3.960 0.001 0.000 0.298 235 G HA3 -0.322 3.639 3.960 0.001 0.000 0.298 235 G C 0.195 175.086 174.900 -0.016 0.000 1.195 235 G CA 0.796 45.881 45.100 -0.025 0.000 0.989 235 G HN 0.817 nan 8.290 nan 0.000 0.551 236 D N 1.307 121.697 120.400 -0.018 0.000 2.354 236 D HA -0.043 4.597 4.640 0.001 0.000 0.216 236 D C 2.265 178.565 176.300 -0.000 0.000 0.970 236 D CA 1.025 55.033 54.000 0.013 0.000 0.905 236 D CB -0.064 40.748 40.800 0.021 0.000 0.903 236 D HN 0.412 nan 8.370 nan 0.000 0.508 237 R N 0.498 120.916 120.500 -0.136 0.000 2.468 237 R HA 0.187 4.528 4.340 0.001 0.000 0.280 237 R C 0.230 176.469 176.300 -0.101 0.000 0.963 237 R CA -0.108 55.764 56.100 -0.379 0.000 1.083 237 R CB 0.607 30.534 30.300 -0.622 0.000 1.200 237 R HN 0.211 nan 8.270 nan 0.000 0.541 238 E N 1.470 121.676 120.200 0.010 0.000 2.145 238 E HA 0.359 4.709 4.350 0.001 0.000 0.262 238 E C -1.043 175.625 176.600 0.112 0.000 0.883 238 E CA -0.404 56.031 56.400 0.059 0.000 0.748 238 E CB 0.877 30.587 29.700 0.016 0.000 1.140 238 E HN 0.050 nan 8.360 nan 0.000 0.417 239 I N 6.562 127.230 120.570 0.164 0.000 2.420 239 I HA 0.321 4.491 4.170 0.001 0.000 0.282 239 I C -2.302 173.892 176.117 0.128 0.000 1.019 239 I CA -2.571 58.825 61.300 0.161 0.000 1.130 239 I CB 1.643 39.778 38.000 0.225 0.000 1.262 239 I HN 0.365 nan 8.210 nan 0.000 0.454 240 P HA 0.198 nan 4.420 nan 0.000 0.267 240 P C -0.921 176.426 177.300 0.077 0.000 1.205 240 P CA 0.064 63.213 63.100 0.082 0.000 0.765 240 P CB 0.526 32.270 31.700 0.074 0.000 0.828 241 L N 4.327 125.590 121.223 0.067 0.000 2.372 241 L HA 0.361 4.702 4.340 0.001 0.000 0.273 241 L C -0.575 176.304 176.870 0.014 0.000 0.989 241 L CA -0.697 54.171 54.840 0.047 0.000 0.841 241 L CB 1.178 43.272 42.059 0.059 0.000 1.225 241 L HN 0.173 nan 8.230 nan 0.000 0.414 242 L N 5.550 126.792 121.223 0.031 0.000 2.272 242 L HA 0.458 4.799 4.340 0.001 0.000 0.284 242 L C 0.182 177.058 176.870 0.010 0.000 1.045 242 L CA -0.047 54.814 54.840 0.035 0.000 0.842 242 L CB 0.884 43.056 42.059 0.188 0.000 1.224 242 L HN 0.459 nan 8.230 nan 0.000 0.430 243 I N 0.550 121.052 120.570 -0.114 0.000 2.488 243 I HA 0.945 5.115 4.170 0.001 0.000 0.299 243 I C -0.191 175.829 176.117 -0.162 0.000 0.984 243 I CA -0.452 60.747 61.300 -0.168 0.000 1.250 243 I CB 1.780 39.575 38.000 -0.343 0.000 1.389 243 I HN 0.595 nan 8.210 nan 0.000 0.488 244 A N 4.689 127.468 122.820 -0.069 0.000 2.491 244 A HA 0.432 4.753 4.320 0.001 0.000 0.293 244 A C -1.080 176.603 177.584 0.166 0.000 1.047 244 A CA -0.761 51.275 52.037 -0.002 0.000 0.735 244 A CB 1.041 19.931 19.000 -0.184 0.000 1.281 244 A HN 0.881 nan 8.150 nan 0.000 0.398 245 D N 1.988 122.582 120.400 0.323 0.000 2.362 245 D HA 0.509 5.150 4.640 0.001 0.000 0.242 245 D C -0.184 176.331 176.300 0.359 0.000 1.132 245 D CA -0.026 54.185 54.000 0.352 0.000 0.907 245 D CB 0.756 41.740 40.800 0.307 0.000 1.195 245 D HN 0.351 nan 8.370 nan 0.000 0.429 246 R N 0.968 121.687 120.500 0.364 0.000 2.774 246 R HA 0.477 4.817 4.340 0.001 0.000 0.272 246 R C -0.676 175.932 176.300 0.514 0.000 1.000 246 R CA -0.856 55.478 56.100 0.390 0.000 0.906 246 R CB 1.377 31.794 30.300 0.195 0.000 1.227 246 R HN 0.560 nan 8.270 nan 0.000 0.468 247 N N 0.618 119.642 118.700 0.538 0.000 2.381 247 N HA 0.655 5.395 4.740 0.001 0.000 0.294 247 N C -1.189 174.499 175.510 0.297 0.000 1.216 247 N CA -0.545 52.779 53.050 0.458 0.000 0.803 247 N CB 1.480 40.217 38.487 0.416 0.000 1.372 247 N HN 0.411 nan 8.380 nan 0.000 0.500 248 L N 0.284 121.672 121.223 0.274 0.000 2.393 248 L HA 0.422 4.763 4.340 0.001 0.000 0.260 248 L C -0.400 176.536 176.870 0.110 0.000 1.002 248 L CA -0.972 53.937 54.840 0.115 0.000 0.818 248 L CB 2.039 44.081 42.059 -0.029 0.000 1.369 248 L HN 0.417 nan 8.230 nan 0.000 0.412 249 D N 0.544 120.981 120.400 0.061 0.000 2.354 249 D HA 0.480 5.120 4.640 0.001 0.000 0.247 249 D C -0.588 175.738 176.300 0.043 0.000 1.138 249 D CA 0.147 54.180 54.000 0.056 0.000 0.958 249 D CB 1.634 42.457 40.800 0.038 0.000 1.144 249 D HN 0.621 nan 8.370 nan 0.000 0.458 250 T N -1.103 113.478 114.554 0.045 0.000 2.907 250 T HA 0.454 4.805 4.350 0.001 0.000 0.292 250 T C -0.221 174.496 174.700 0.029 0.000 1.043 250 T CA -1.036 61.086 62.100 0.037 0.000 1.003 250 T CB 1.692 70.588 68.868 0.047 0.000 1.084 250 T HN 0.084 nan 8.240 nan 0.000 0.483 251 D N 0.723 121.137 120.400 0.023 0.000 2.414 251 D HA 0.202 4.842 4.640 0.001 0.000 0.251 251 D C 1.419 177.731 176.300 0.021 0.000 1.252 251 D CA -0.554 53.458 54.000 0.020 0.000 0.999 251 D CB 0.737 41.546 40.800 0.015 0.000 1.093 251 D HN 0.748 nan 8.370 nan 0.000 0.515 252 E N -0.091 120.120 120.200 0.017 0.000 2.160 252 E HA -0.195 4.156 4.350 0.001 0.000 0.195 252 E C 0.866 177.476 176.600 0.017 0.000 0.991 252 E CA 1.091 57.501 56.400 0.017 0.000 0.810 252 E CB 0.044 29.752 29.700 0.014 0.000 0.742 252 E HN 0.399 nan 8.360 nan 0.000 0.466 253 D N -1.016 119.393 120.400 0.016 0.000 2.340 253 D HA 0.024 4.665 4.640 0.001 0.000 0.220 253 D C 1.236 177.549 176.300 0.020 0.000 1.039 253 D CA 0.719 54.728 54.000 0.016 0.000 0.866 253 D CB 0.337 41.145 40.800 0.013 0.000 0.913 253 D HN 0.212 nan 8.370 nan 0.000 0.523 254 G N 0.166 108.980 108.800 0.024 0.000 2.175 254 G HA2 -0.270 3.690 3.960 0.001 0.000 0.244 254 G HA3 -0.270 3.690 3.960 0.001 0.000 0.244 254 G C 0.247 175.167 174.900 0.033 0.000 0.982 254 G CA -0.344 44.776 45.100 0.032 0.000 0.641 254 G HN 0.327 nan 8.290 nan 0.000 0.527 255 R N 0.329 120.844 120.500 0.024 0.000 2.489 255 R HA 0.314 4.655 4.340 0.001 0.000 0.287 255 R C 1.012 177.320 176.300 0.013 0.000 1.053 255 R CA -0.325 55.785 56.100 0.017 0.000 1.036 255 R CB 0.345 30.651 30.300 0.010 0.000 0.966 255 R HN 0.371 nan 8.270 nan 0.000 0.432 256 L N 3.987 125.211 121.223 0.002 0.000 2.513 256 L HA -0.100 4.241 4.340 0.001 0.000 0.272 256 L C 1.325 178.180 176.870 -0.026 0.000 1.187 256 L CA 0.286 55.113 54.840 -0.022 0.000 0.895 256 L CB 0.083 42.091 42.059 -0.084 0.000 1.147 256 L HN 0.675 nan 8.230 nan 0.000 0.483 257 N N 1.226 119.917 118.700 -0.015 0.000 2.234 257 N HA 0.138 4.878 4.740 0.001 0.000 0.227 257 N C 0.908 176.420 175.510 0.002 0.000 1.151 257 N CA 0.228 53.277 53.050 -0.002 0.000 0.865 257 N CB 1.077 39.573 38.487 0.014 0.000 1.066 257 N HN 0.749 nan 8.380 nan 0.000 0.515 258 G N 0.322 109.104 108.800 -0.030 0.000 2.212 258 G HA2 -0.352 3.609 3.960 0.001 0.000 0.266 258 G HA3 -0.352 3.609 3.960 0.001 0.000 0.266 258 G C -0.022 174.867 174.900 -0.017 0.000 0.978 258 G CA 0.154 45.237 45.100 -0.028 0.000 0.632 258 G HN 0.475 nan 8.290 nan 0.000 0.537 259 R N 0.174 120.671 120.500 -0.006 0.000 2.340 259 R HA 0.479 4.820 4.340 0.001 0.000 0.300 259 R C 0.722 177.008 176.300 -0.023 0.000 1.069 259 R CA -0.597 55.493 56.100 -0.018 0.000 0.984 259 R CB 0.713 31.011 30.300 -0.003 0.000 1.003 259 R HN 0.266 nan 8.270 nan 0.000 0.459 260 L N 4.307 125.497 121.223 -0.055 0.000 2.477 260 L HA 0.057 4.398 4.340 0.001 0.000 0.272 260 L C -0.147 176.725 176.870 0.003 0.000 1.157 260 L CA -0.051 54.765 54.840 -0.039 0.000 0.889 260 L CB 0.099 42.099 42.059 -0.098 0.000 1.158 260 L HN 0.336 nan 8.230 nan 0.000 0.473 261 L N 4.702 125.964 121.223 0.065 0.000 2.316 261 L HA 0.296 4.636 4.340 0.001 0.000 0.280 261 L C -0.116 176.862 176.870 0.179 0.000 1.006 261 L CA -0.152 54.758 54.840 0.116 0.000 0.836 261 L CB 1.004 43.143 42.059 0.133 0.000 1.221 261 L HN 0.434 nan 8.230 nan 0.000 0.418 262 H N 5.912 125.029 119.070 0.079 0.000 2.872 262 H HA 0.230 4.787 4.556 0.001 0.000 0.273 262 H C -1.024 174.475 175.328 0.285 0.000 1.205 262 H CA -0.239 55.879 56.048 0.115 0.000 1.342 262 H CB 0.592 30.479 29.762 0.207 0.000 1.469 262 H HN 0.628 nan 8.280 nan 0.000 0.487 263 K N 5.019 125.559 120.400 0.235 0.000 2.449 263 K HA 0.195 4.516 4.320 0.001 0.000 0.257 263 K C -0.676 175.966 176.600 0.068 0.000 0.989 263 K CA -0.599 55.784 56.287 0.160 0.000 0.916 263 K CB 0.765 33.356 32.500 0.152 0.000 1.136 263 K HN 0.631 nan 8.250 nan 0.000 0.439 264 T N -0.645 113.948 114.554 0.065 0.000 2.936 264 T HA 0.479 4.830 4.350 0.001 0.000 0.282 264 T C -0.114 174.622 174.700 0.059 0.000 1.003 264 T CA -0.765 61.360 62.100 0.041 0.000 1.005 264 T CB 1.571 70.487 68.868 0.080 0.000 1.097 264 T HN 0.150 nan 8.240 nan 0.000 0.532 265 V N 1.878 121.824 119.914 0.054 0.000 2.459 265 V HA 0.394 4.515 4.120 0.001 0.000 0.295 265 V C 0.225 176.354 176.094 0.058 0.000 1.029 265 V CA -1.016 61.313 62.300 0.047 0.000 0.874 265 V CB 1.259 33.099 31.823 0.028 0.000 0.985 265 V HN 0.837 nan 8.190 nan 0.000 0.438 266 I N 5.025 125.626 120.570 0.052 0.000 2.436 266 I HA 0.068 4.239 4.170 0.001 0.000 0.289 266 I C 1.194 177.332 176.117 0.035 0.000 1.083 266 I CA 0.140 61.469 61.300 0.049 0.000 1.372 266 I CB 1.267 39.295 38.000 0.047 0.000 1.408 266 I HN 0.662 nan 8.210 nan 0.000 0.516 267 V N 2.227 122.161 119.914 0.034 0.000 3.125 267 V HA 0.121 4.241 4.120 0.001 0.000 0.249 267 V C 0.621 176.723 176.094 0.013 0.000 1.113 267 V CA 0.379 62.692 62.300 0.022 0.000 1.106 267 V CB -0.272 31.565 31.823 0.024 0.000 0.768 267 V HN 0.827 nan 8.190 nan 0.000 0.468 268 Q N 0.136 119.943 119.800 0.012 0.000 2.290 268 Q HA 0.323 4.664 4.340 0.001 0.000 0.269 268 Q C 0.486 176.494 176.000 0.014 0.000 1.016 268 Q CA -0.493 55.314 55.803 0.007 0.000 0.754 268 Q CB 2.188 30.922 28.738 -0.007 0.000 1.247 268 Q HN 0.303 nan 8.270 nan 0.000 0.451 269 Q N 1.600 121.410 119.800 0.016 0.000 2.079 269 Q HA 0.057 4.398 4.340 0.001 0.000 0.200 269 Q C -0.278 175.736 176.000 0.024 0.000 0.974 269 Q CA 1.216 57.032 55.803 0.022 0.000 0.840 269 Q CB 0.430 29.180 28.738 0.019 0.000 0.898 269 Q HN 0.395 nan 8.270 nan 0.000 0.430 270 S N -0.066 115.646 115.700 0.019 0.000 2.736 270 S HA 0.410 4.880 4.470 0.001 0.000 0.285 270 S C -1.412 173.198 174.600 0.017 0.000 1.163 270 S CA -0.895 57.318 58.200 0.022 0.000 1.025 270 S CB 0.500 63.713 63.200 0.022 0.000 1.030 270 S HN 0.425 nan 8.310 nan 0.000 0.486 271 N N 4.858 123.569 118.700 0.018 0.000 2.497 271 N HA 0.371 5.112 4.740 0.001 0.000 0.271 271 N C -1.701 173.822 175.510 0.021 0.000 1.142 271 N CA -1.641 51.417 53.050 0.012 0.000 0.965 271 N CB 1.149 39.640 38.487 0.007 0.000 1.077 271 N HN 0.242 nan 8.380 nan 0.000 0.462 272 P HA -0.162 nan 4.420 nan 0.000 0.218 272 P C -0.061 177.255 177.300 0.028 0.000 1.146 272 P CA 1.511 64.624 63.100 0.022 0.000 0.813 272 P CB 0.198 31.910 31.700 0.020 0.000 0.778 273 E N -1.569 118.652 120.200 0.034 0.000 2.415 273 E HA 0.038 4.388 4.350 0.001 0.000 0.197 273 E C 0.710 177.338 176.600 0.046 0.000 1.007 273 E CA 0.608 57.033 56.400 0.042 0.000 0.890 273 E CB 0.102 29.834 29.700 0.052 0.000 0.891 273 E HN 0.350 nan 8.360 nan 0.000 0.496 274 T N -3.667 110.917 114.554 0.049 0.000 2.888 274 T HA 0.440 4.790 4.350 0.001 0.000 0.288 274 T C 1.259 175.986 174.700 0.045 0.000 1.063 274 T CA -0.368 61.765 62.100 0.054 0.000 1.010 274 T CB 1.496 70.410 68.868 0.077 0.000 1.214 274 T HN -0.060 nan 8.240 nan 0.000 0.533 275 G N 0.138 108.965 108.800 0.046 0.000 2.450 275 G HA2 -0.022 3.938 3.960 0.001 0.000 0.220 275 G HA3 -0.022 3.938 3.960 0.001 0.000 0.220 275 G C 0.443 175.369 174.900 0.044 0.000 1.130 275 G CA 0.499 45.623 45.100 0.040 0.000 0.760 275 G HN 0.701 nan 8.290 nan 0.000 0.557 276 K N 0.992 121.426 120.400 0.057 0.000 2.098 276 K HA 0.345 4.666 4.320 0.001 0.000 0.261 276 K C -2.440 174.195 176.600 0.059 0.000 0.987 276 K CA -2.047 54.280 56.287 0.068 0.000 0.916 276 K CB 1.283 33.842 32.500 0.098 0.000 1.039 276 K HN -0.052 nan 8.250 nan 0.000 0.455 277 P HA 0.015 nan 4.420 nan 0.000 0.269 277 P C -0.791 176.548 177.300 0.066 0.000 1.209 277 P CA -0.219 62.916 63.100 0.058 0.000 0.776 277 P CB 0.633 32.374 31.700 0.068 0.000 0.876 278 V N 2.447 122.380 119.914 0.031 0.000 2.444 278 V HA 0.349 4.470 4.120 0.001 0.000 0.294 278 V C 0.380 176.505 176.094 0.052 0.000 1.022 278 V CA -0.345 61.957 62.300 0.004 0.000 0.850 278 V CB 1.460 33.206 31.823 -0.129 0.000 0.992 278 V HN 0.716 nan 8.190 nan 0.000 0.426 279 S N 5.080 120.845 115.700 0.109 0.000 2.532 279 S HA 0.817 5.288 4.470 0.001 0.000 0.301 279 S C -0.204 174.477 174.600 0.135 0.000 1.083 279 S CA -0.837 57.432 58.200 0.116 0.000 1.025 279 S CB 1.956 65.239 63.200 0.138 0.000 1.056 279 S HN 0.756 nan 8.310 nan 0.000 0.494 280 I N -1.421 119.219 120.570 0.117 0.000 3.378 280 I HA 0.490 4.661 4.170 0.001 0.000 0.284 280 I C -2.670 173.492 176.117 0.075 0.000 1.157 280 I CA -2.266 59.118 61.300 0.140 0.000 1.193 280 I CB -0.570 37.525 38.000 0.158 0.000 1.461 280 I HN 0.305 nan 8.210 nan 0.000 0.674 281 P HA 0.084 nan 4.420 nan 0.000 0.274 281 P C -0.949 176.085 177.300 -0.444 0.000 1.260 281 P CA -0.127 62.808 63.100 -0.275 0.000 0.793 281 P CB 0.240 31.649 31.700 -0.485 0.000 1.048 282 F N 1.623 121.194 119.950 -0.631 0.000 2.504 282 F HA 0.381 4.908 4.527 0.001 0.000 0.369 282 F C -0.870 174.308 175.800 -1.036 0.000 1.082 282 F CA 0.458 58.059 58.000 -0.665 0.000 1.216 282 F CB -0.365 38.316 39.000 -0.531 0.000 1.108 282 F HN 0.059 nan 8.300 nan 0.000 0.554 283 F N 3.656 122.877 119.950 -1.216 0.000 2.588 283 F HA 0.719 5.247 4.527 0.001 0.000 0.310 283 F C 0.305 175.327 175.800 -1.297 0.000 1.082 283 F CA -0.970 56.410 58.000 -1.034 0.000 0.929 283 F CB 1.930 40.625 39.000 -0.508 0.000 1.254 283 F HN 0.628 nan 8.300 nan 0.000 0.455 284 G N 0.965 109.374 108.800 -0.651 0.000 2.619 284 G HA2 0.610 4.571 3.960 0.001 0.000 0.296 284 G HA3 0.610 4.571 3.960 0.001 0.000 0.296 284 G C -2.789 172.050 174.900 -0.102 0.000 1.334 284 G CA -1.660 43.264 45.100 -0.294 0.000 0.934 284 G HN 0.295 nan 8.290 nan 0.000 0.476 285 P HA 0.103 nan 4.420 nan 0.000 0.235 285 P C -0.445 176.802 177.300 -0.089 0.000 1.177 285 P CA 0.456 63.425 63.100 -0.219 0.000 0.785 285 P CB 0.176 31.634 31.700 -0.404 0.000 0.885 286 Y N -0.559 119.885 120.300 0.240 0.000 2.342 286 Y HA 0.427 4.978 4.550 0.001 0.000 0.334 286 Y C 0.836 176.787 175.900 0.085 0.000 1.067 286 Y CA -0.708 57.419 58.100 0.046 0.000 1.128 286 Y CB 0.848 39.132 38.460 -0.294 0.000 1.200 286 Y HN -0.385 nan 8.280 nan 0.000 0.464 287 T N 2.433 117.130 114.554 0.239 0.000 2.743 287 T HA 0.251 4.601 4.350 0.001 0.000 0.292 287 T C -0.060 174.664 174.700 0.040 0.000 0.972 287 T CA -0.880 61.385 62.100 0.275 0.000 0.967 287 T CB 0.166 69.347 68.868 0.521 0.000 0.926 287 T HN 0.708 nan 8.240 nan 0.000 0.459 288 T N 0.753 115.335 114.554 0.047 0.000 2.806 288 T HA 0.603 4.953 4.350 0.001 0.000 0.290 288 T C -0.169 174.549 174.700 0.029 0.000 0.966 288 T CA -0.711 61.398 62.100 0.016 0.000 1.060 288 T CB 0.734 69.629 68.868 0.045 0.000 0.927 288 T HN 0.242 nan 8.240 nan 0.000 0.485 289 V N 4.231 124.163 119.914 0.029 0.000 2.378 289 V HA 0.371 4.491 4.120 0.001 0.000 0.288 289 V C -0.042 176.070 176.094 0.031 0.000 1.016 289 V CA -1.072 61.239 62.300 0.019 0.000 0.840 289 V CB 0.586 32.413 31.823 0.007 0.000 0.994 289 V HN 1.040 nan 8.190 nan 0.000 0.431 290 N N 3.921 122.657 118.700 0.060 0.000 2.727 290 N HA -0.200 4.540 4.740 0.001 0.000 0.249 290 N C 1.162 176.696 175.510 0.040 0.000 1.048 290 N CA 1.614 54.695 53.050 0.052 0.000 0.714 290 N CB -1.145 37.355 38.487 0.022 0.000 0.959 290 N HN 1.557 nan 8.380 nan 0.000 0.544 291 G N -1.268 107.582 108.800 0.083 0.000 2.155 291 G HA2 -0.366 3.594 3.960 0.001 0.000 0.257 291 G HA3 -0.366 3.594 3.960 0.001 0.000 0.257 291 G C 0.065 174.976 174.900 0.018 0.000 0.983 291 G CA 0.659 45.797 45.100 0.062 0.000 0.676 291 G HN 0.609 nan 8.290 nan 0.000 0.528 292 R N -0.681 119.821 120.500 0.004 0.000 2.621 292 R HA 0.561 4.901 4.340 0.001 0.000 0.292 292 R C 0.342 176.616 176.300 -0.043 0.000 0.969 292 R CA -1.033 55.051 56.100 -0.025 0.000 0.887 292 R CB 1.401 31.678 30.300 -0.038 0.000 1.180 292 R HN 0.222 nan 8.270 nan 0.000 0.450 293 I N 3.661 124.168 120.570 -0.106 0.000 2.517 293 I HA -0.057 4.114 4.170 0.001 0.000 0.285 293 I C 0.039 176.100 176.117 -0.094 0.000 1.106 293 I CA 0.182 61.303 61.300 -0.299 0.000 1.402 293 I CB 0.262 37.914 38.000 -0.580 0.000 1.399 293 I HN 0.623 nan 8.210 nan 0.000 0.535 294 W N 5.607 126.955 121.300 0.081 0.000 6.905 294 W HA -0.154 4.507 4.660 0.001 0.000 0.419 294 W C -2.320 174.293 176.519 0.156 0.000 1.653 294 W CA -0.903 56.487 57.345 0.075 0.000 1.131 294 W CB -2.384 26.990 29.460 -0.143 0.000 2.876 294 W HN 0.326 nan 8.180 nan 0.000 1.563 295 P HA 0.324 nan 4.420 nan 0.000 0.276 295 P C -0.450 176.954 177.300 0.175 0.000 1.252 295 P CA -0.065 63.108 63.100 0.122 0.000 0.802 295 P CB 1.005 32.672 31.700 -0.054 0.000 1.035 296 Y N -1.161 119.179 120.300 0.067 0.000 2.446 296 Y HA 0.783 5.333 4.550 0.001 0.000 0.338 296 Y C -0.993 174.813 175.900 -0.157 0.000 1.055 296 Y CA -1.787 56.250 58.100 -0.104 0.000 1.101 296 Y CB 1.038 39.453 38.460 -0.076 0.000 1.221 296 Y HN 0.504 nan 8.280 nan 0.000 0.460 297 A N 3.021 125.747 122.820 -0.157 0.000 2.319 297 A HA 0.441 4.762 4.320 0.001 0.000 0.310 297 A C -1.309 176.268 177.584 -0.012 0.000 1.152 297 A CA -0.867 51.080 52.037 -0.150 0.000 0.783 297 A CB 0.363 19.222 19.000 -0.236 0.000 1.184 297 A HN 0.780 nan 8.150 nan 0.000 0.474 298 D N 1.882 122.317 120.400 0.059 0.000 2.383 298 D HA 0.392 5.033 4.640 0.001 0.000 0.252 298 D C 0.319 176.598 176.300 -0.034 0.000 1.166 298 D CA 0.599 54.618 54.000 0.032 0.000 0.879 298 D CB 1.428 42.275 40.800 0.079 0.000 1.164 298 D HN 0.588 nan 8.370 nan 0.000 0.462 299 V N -0.444 119.383 119.914 -0.145 0.000 3.040 299 V HA 0.557 4.678 4.120 0.001 0.000 0.312 299 V C -0.382 175.645 176.094 -0.111 0.000 1.115 299 V CA -1.065 61.101 62.300 -0.223 0.000 0.998 299 V CB 2.583 33.915 31.823 -0.819 0.000 1.042 299 V HN 0.162 nan 8.190 nan 0.000 0.433 300 D N 1.808 122.292 120.400 0.141 0.000 2.348 300 D HA 0.269 4.910 4.640 0.001 0.000 0.249 300 D C -0.246 176.147 176.300 0.156 0.000 1.110 300 D CA 0.065 54.153 54.000 0.147 0.000 0.967 300 D CB 1.245 42.165 40.800 0.200 0.000 1.139 300 D HN 0.936 nan 8.370 nan 0.000 0.466 301 D N -0.060 120.405 120.400 0.109 0.000 2.885 301 D HA 0.227 4.867 4.640 0.001 0.000 0.234 301 D C 0.431 176.839 176.300 0.180 0.000 1.129 301 D CA -0.524 53.553 54.000 0.127 0.000 0.991 301 D CB -0.278 40.562 40.800 0.067 0.000 1.137 301 D HN 0.319 nan 8.370 nan 0.000 0.459 302 G N -0.660 108.317 108.800 0.295 0.000 3.022 302 G HA2 0.455 4.416 3.960 0.001 0.000 0.284 302 G HA3 0.455 4.416 3.960 0.001 0.000 0.284 302 G C -1.413 173.671 174.900 0.308 0.000 1.375 302 G CA -1.254 44.002 45.100 0.261 0.000 0.902 302 G HN 0.155 nan 8.290 nan 0.000 0.538 303 W N -0.340 121.015 121.300 0.092 0.000 2.238 303 W HA 0.586 5.246 4.660 0.001 0.000 0.321 303 W C -0.751 175.736 176.519 -0.054 0.000 1.293 303 W CA 0.394 57.735 57.345 -0.007 0.000 1.204 303 W CB 0.549 29.870 29.460 -0.231 0.000 1.167 303 W HN 0.261 nan 8.180 nan 0.000 0.553 304 Y N 1.462 121.840 120.300 0.130 0.000 2.499 304 Y HA 0.454 5.005 4.550 0.001 0.000 0.347 304 Y C -0.032 175.898 175.900 0.050 0.000 0.987 304 Y CA -1.729 56.430 58.100 0.098 0.000 1.044 304 Y CB 2.015 40.586 38.460 0.184 0.000 1.245 304 Y HN 0.275 nan 8.280 nan 0.000 0.461 305 R N 3.544 124.138 120.500 0.157 0.000 2.387 305 R HA 0.690 5.031 4.340 0.001 0.000 0.314 305 R C -2.034 174.360 176.300 0.156 0.000 0.958 305 R CA -0.465 55.699 56.100 0.106 0.000 0.846 305 R CB 0.653 30.963 30.300 0.017 0.000 1.147 305 R HN 0.746 nan 8.270 nan 0.000 0.447 306 L N 5.029 126.341 121.223 0.149 0.000 2.333 306 L HA 0.559 4.900 4.340 0.001 0.000 0.280 306 L C -0.144 176.801 176.870 0.124 0.000 1.004 306 L CA -1.174 53.760 54.840 0.156 0.000 0.820 306 L CB 1.773 43.934 42.059 0.170 0.000 1.247 306 L HN 0.460 nan 8.230 nan 0.000 0.416 307 R N 3.810 124.374 120.500 0.107 0.000 2.522 307 R HA 0.377 4.718 4.340 0.001 0.000 0.290 307 R C -0.796 175.553 176.300 0.081 0.000 1.216 307 R CA -0.650 55.503 56.100 0.087 0.000 1.250 307 R CB 0.678 31.020 30.300 0.070 0.000 1.143 307 R HN 0.424 nan 8.270 nan 0.000 0.553 308 L N 2.385 123.672 121.223 0.105 0.000 2.264 308 L HA 0.463 4.804 4.340 0.001 0.000 0.289 308 L C -0.645 176.262 176.870 0.061 0.000 1.044 308 L CA -0.511 54.383 54.840 0.089 0.000 0.807 308 L CB 1.592 43.724 42.059 0.122 0.000 1.192 308 L HN 0.225 nan 8.230 nan 0.000 0.425 309 V N 5.691 125.560 119.914 -0.075 0.000 2.656 309 V HA 0.524 4.644 4.120 0.001 0.000 0.307 309 V C -0.919 174.975 176.094 -0.333 0.000 1.051 309 V CA -0.735 61.405 62.300 -0.266 0.000 0.893 309 V CB 2.019 33.526 31.823 -0.526 0.000 0.999 309 V HN 0.915 nan 8.190 nan 0.000 0.426 310 N N 5.183 123.680 118.700 -0.339 0.000 2.406 310 N HA 0.449 5.190 4.740 0.001 0.000 0.251 310 N C 0.366 175.566 175.510 -0.517 0.000 1.069 310 N CA 0.359 53.237 53.050 -0.287 0.000 0.947 310 N CB 1.676 40.117 38.487 -0.078 0.000 1.111 310 N HN 0.828 nan 8.380 nan 0.000 0.497 311 A N 2.512 125.025 122.820 -0.511 0.000 2.379 311 A HA 0.197 4.518 4.320 0.001 0.000 0.236 311 A C 0.555 177.959 177.584 -0.300 0.000 1.272 311 A CA -0.339 51.322 52.037 -0.626 0.000 0.886 311 A CB -0.196 18.419 19.000 -0.641 0.000 0.962 311 A HN 0.550 nan 8.150 nan 0.000 0.504 312 S N 1.114 116.730 115.700 -0.140 0.000 2.568 312 S HA 0.025 4.496 4.470 0.001 0.000 0.282 312 S C 1.087 175.701 174.600 0.024 0.000 1.338 312 S CA -0.245 57.959 58.200 0.006 0.000 1.045 312 S CB 0.459 63.751 63.200 0.154 0.000 0.873 312 S HN 0.577 nan 8.310 nan 0.000 0.516 313 N N 1.760 120.485 118.700 0.041 0.000 2.094 313 N HA -0.118 4.623 4.740 0.001 0.000 0.191 313 N C 1.153 176.657 175.510 -0.011 0.000 1.023 313 N CA 1.751 54.808 53.050 0.012 0.000 0.857 313 N CB -0.146 38.356 38.487 0.025 0.000 1.013 313 N HN 0.715 nan 8.380 nan 0.000 0.426 314 A N -1.414 121.374 122.820 -0.053 0.000 2.233 314 A HA 0.153 4.473 4.320 0.001 0.000 0.163 314 A C 0.619 178.223 177.584 0.033 0.000 1.845 314 A CA -0.430 51.526 52.037 -0.134 0.000 1.390 314 A CB 0.069 18.767 19.000 -0.504 0.000 1.601 314 A HN 0.117 nan 8.150 nan 0.000 0.398 315 R N 1.248 121.786 120.500 0.064 0.000 2.489 315 R HA 0.362 4.702 4.340 0.001 0.000 0.287 315 R C -0.990 175.348 176.300 0.064 0.000 1.053 315 R CA 0.051 56.256 56.100 0.176 0.000 1.036 315 R CB 0.064 30.361 30.300 -0.005 0.000 0.966 315 R HN 0.385 nan 8.270 nan 0.000 0.432 316 I N 5.730 126.318 120.570 0.030 0.000 2.312 316 I HA 0.095 4.265 4.170 0.001 0.000 0.291 316 I C -0.470 175.600 176.117 -0.079 0.000 1.031 316 I CA -0.544 60.771 61.300 0.025 0.000 1.293 316 I CB 0.599 38.618 38.000 0.030 0.000 1.403 316 I HN 0.559 nan 8.210 nan 0.000 0.484 317 Y N 4.960 125.263 120.300 0.006 0.000 2.359 317 Y HA 0.145 4.696 4.550 0.001 0.000 0.334 317 Y C 0.270 176.151 175.900 -0.032 0.000 1.058 317 Y CA -0.096 57.997 58.100 -0.012 0.000 1.244 317 Y CB 0.513 38.961 38.460 -0.020 0.000 1.187 317 Y HN 0.503 nan 8.280 nan 0.000 0.510 318 N N 4.606 123.350 118.700 0.074 0.000 2.699 318 N HA 0.340 5.081 4.740 0.001 0.000 0.232 318 N C -1.330 174.224 175.510 0.072 0.000 1.027 318 N CA -0.355 52.727 53.050 0.053 0.000 0.920 318 N CB 0.591 39.088 38.487 0.018 0.000 1.148 318 N HN 0.403 nan 8.380 nan 0.000 0.509 319 L N 1.601 122.869 121.223 0.075 0.000 2.371 319 L HA 0.567 4.907 4.340 0.001 0.000 0.272 319 L C -0.181 176.724 176.870 0.058 0.000 1.124 319 L CA -0.761 54.118 54.840 0.065 0.000 0.816 319 L CB 0.831 42.913 42.059 0.038 0.000 1.129 319 L HN 0.132 nan 8.230 nan 0.000 0.448 320 V N 3.379 123.209 119.914 -0.139 0.000 2.733 320 V HA 0.305 4.425 4.120 0.001 0.000 0.306 320 V C -0.596 175.112 176.094 -0.643 0.000 1.084 320 V CA -0.573 61.360 62.300 -0.611 0.000 0.905 320 V CB 2.329 33.906 31.823 -0.410 0.000 1.010 320 V HN 0.458 nan 8.190 nan 0.000 0.424 321 L N 6.764 127.327 121.223 -1.100 0.000 2.265 321 L HA 0.722 5.063 4.340 0.001 0.000 0.288 321 L C -0.310 176.291 176.870 -0.449 0.000 1.058 321 L CA 0.392 54.931 54.840 -0.502 0.000 0.809 321 L CB 0.677 42.583 42.059 -0.256 0.000 1.179 321 L HN 0.688 nan 8.230 nan 0.000 0.429 322 I N 0.957 121.390 120.570 -0.228 0.000 3.002 322 I HA 0.714 4.885 4.170 0.001 0.000 0.310 322 I C -0.849 175.218 176.117 -0.083 0.000 1.087 322 I CA -0.858 60.348 61.300 -0.156 0.000 1.017 322 I CB 1.998 39.920 38.000 -0.131 0.000 1.226 322 I HN 0.601 nan 8.210 nan 0.000 0.443 323 D N 1.860 122.223 120.400 -0.063 0.000 2.560 323 D HA 0.233 4.874 4.640 0.001 0.000 0.277 323 D C 0.542 176.816 176.300 -0.043 0.000 1.194 323 D CA -0.157 53.817 54.000 -0.043 0.000 1.092 323 D CB 0.363 41.144 40.800 -0.032 0.000 1.169 323 D HN 0.648 nan 8.370 nan 0.000 0.607 324 E N -0.954 119.224 120.200 -0.037 0.000 2.274 324 E HA -0.020 4.331 4.350 0.001 0.000 0.194 324 E C 0.384 176.967 176.600 -0.027 0.000 0.996 324 E CA 0.984 57.364 56.400 -0.034 0.000 0.840 324 E CB -0.063 29.617 29.700 -0.033 0.000 0.772 324 E HN 0.339 nan 8.360 nan 0.000 0.491 325 D N -0.266 120.118 120.400 -0.027 0.000 2.340 325 D HA 0.038 4.679 4.640 0.001 0.000 0.217 325 D C -0.434 175.849 176.300 -0.028 0.000 1.081 325 D CA 0.122 54.108 54.000 -0.024 0.000 0.842 325 D CB 0.363 41.150 40.800 -0.021 0.000 0.934 325 D HN -0.057 nan 8.370 nan 0.000 0.511 326 D N -0.360 120.019 120.400 -0.035 0.000 3.006 326 D HA -0.194 4.446 4.640 0.001 0.000 0.205 326 D C 0.336 176.606 176.300 -0.050 0.000 1.075 326 D CA 0.434 54.408 54.000 -0.043 0.000 1.000 326 D CB -0.988 39.791 40.800 -0.036 0.000 1.097 326 D HN 0.275 nan 8.370 nan 0.000 0.426 327 R N 0.746 121.220 120.500 -0.043 0.000 2.389 327 R HA 0.345 4.685 4.340 0.001 0.000 0.295 327 R C -2.507 173.758 176.300 -0.059 0.000 1.075 327 R CA -1.241 54.836 56.100 -0.039 0.000 1.005 327 R CB 0.693 30.978 30.300 -0.025 0.000 0.987 327 R HN -0.159 nan 8.270 nan 0.000 0.452 328 P HA -0.032 nan 4.420 nan 0.000 0.268 328 P C -1.108 176.185 177.300 -0.012 0.000 1.205 328 P CA -0.094 62.954 63.100 -0.088 0.000 0.771 328 P CB 0.811 32.499 31.700 -0.019 0.000 0.858 329 V N 5.986 125.894 119.914 -0.011 0.000 2.304 329 V HA 0.290 4.410 4.120 0.001 0.000 0.269 329 V C -1.720 174.469 176.094 0.159 0.000 1.036 329 V CA -1.572 60.754 62.300 0.044 0.000 0.840 329 V CB 0.768 32.587 31.823 -0.006 0.000 1.036 329 V HN 0.579 nan 8.190 nan 0.000 0.466 330 P HA 0.394 nan 4.420 nan 0.000 0.280 330 P C 0.711 177.990 177.300 -0.035 0.000 1.272 330 P CA 0.145 63.273 63.100 0.046 0.000 0.819 330 P CB 1.427 33.140 31.700 0.021 0.000 1.122 331 G N -0.755 107.981 108.800 -0.107 0.000 2.160 331 G HA2 -0.213 3.747 3.960 0.001 0.000 0.251 331 G HA3 -0.213 3.747 3.960 0.001 0.000 0.251 331 G C 0.405 175.203 174.900 -0.170 0.000 1.008 331 G CA 0.222 45.249 45.100 -0.122 0.000 0.724 331 G HN 0.435 nan 8.290 nan 0.000 0.514 332 V N -1.204 118.559 119.914 -0.251 0.000 3.251 332 V HA 0.230 4.351 4.120 0.001 0.000 0.239 332 V C 1.200 177.087 176.094 -0.345 0.000 1.332 332 V CA 1.069 63.198 62.300 -0.286 0.000 1.224 332 V CB 1.133 32.804 31.823 -0.253 0.000 1.004 332 V HN 0.238 nan 8.190 nan 0.000 0.464 333 V N 1.379 121.081 119.914 -0.352 0.000 2.439 333 V HA 0.485 4.606 4.120 0.001 0.000 0.282 333 V C -0.839 174.995 176.094 -0.434 0.000 1.039 333 V CA -0.408 61.738 62.300 -0.257 0.000 0.913 333 V CB 0.973 32.723 31.823 -0.123 0.000 0.983 333 V HN 0.562 nan 8.190 nan 0.000 0.460 334 H N 2.117 121.196 119.070 0.015 0.000 2.689 334 H HA 0.442 4.998 4.556 0.001 0.000 0.346 334 H C -0.391 174.976 175.328 0.065 0.000 1.037 334 H CA -0.464 55.617 56.048 0.055 0.000 1.234 334 H CB 1.351 31.211 29.762 0.162 0.000 1.572 334 H HN 0.668 nan 8.280 nan 0.000 0.524 335 Q N 3.062 122.944 119.800 0.136 0.000 2.286 335 Q HA 0.271 4.612 4.340 0.001 0.000 0.257 335 Q C 0.305 176.379 176.000 0.123 0.000 0.941 335 Q CA -0.197 55.688 55.803 0.137 0.000 0.912 335 Q CB 0.617 29.436 28.738 0.134 0.000 1.192 335 Q HN 0.894 nan 8.270 nan 0.000 0.410 336 I N 0.107 120.744 120.570 0.111 0.000 4.338 336 I HA 0.576 4.747 4.170 0.001 0.000 0.329 336 I C 0.368 176.516 176.117 0.052 0.000 1.378 336 I CA -0.434 60.911 61.300 0.075 0.000 1.170 336 I CB 1.180 39.230 38.000 0.083 0.000 1.206 336 I HN 0.473 nan 8.210 nan 0.000 0.432 337 G N 0.512 109.347 108.800 0.059 0.000 2.692 337 G HA2 0.688 4.648 3.960 0.001 0.000 0.291 337 G HA3 0.688 4.648 3.960 0.001 0.000 0.291 337 G C -1.132 173.775 174.900 0.012 0.000 1.423 337 G CA 0.043 45.170 45.100 0.044 0.000 0.843 337 G HN 0.269 nan 8.290 nan 0.000 0.486 338 S N -0.910 114.791 115.700 0.001 0.000 2.911 338 S HA 0.529 4.999 4.470 0.001 0.000 0.319 338 S C 0.415 174.994 174.600 -0.035 0.000 1.154 338 S CA -0.200 57.943 58.200 -0.096 0.000 0.857 338 S CB 1.224 64.383 63.200 -0.068 0.000 1.279 338 S HN 0.369 nan 8.310 nan 0.000 0.593 339 D N 1.644 122.007 120.400 -0.062 0.000 2.192 339 D HA -0.104 4.536 4.640 0.001 0.000 0.189 339 D C 1.621 178.035 176.300 0.190 0.000 1.007 339 D CA 2.265 56.295 54.000 0.052 0.000 0.859 339 D CB -0.991 39.838 40.800 0.048 0.000 0.936 339 D HN 0.786 nan 8.370 nan 0.000 0.447 340 G N -1.219 107.733 108.800 0.253 0.000 3.337 340 G HA2 0.486 4.447 3.960 0.001 0.000 0.246 340 G HA3 0.486 4.447 3.960 0.001 0.000 0.246 340 G C 0.613 175.683 174.900 0.284 0.000 1.131 340 G CA 0.452 45.759 45.100 0.345 0.000 0.773 340 G HN 0.680 nan 8.290 nan 0.000 0.544 341 G N -0.380 108.549 108.800 0.214 0.000 2.302 341 G HA2 0.036 3.996 3.960 0.001 0.000 0.276 341 G HA3 0.036 3.996 3.960 0.001 0.000 0.276 341 G C -0.725 174.269 174.900 0.156 0.000 1.316 341 G CA -1.074 44.119 45.100 0.154 0.000 0.988 341 G HN 0.368 nan 8.290 nan 0.000 0.479 342 L N 1.177 122.477 121.223 0.128 0.000 2.525 342 L HA 0.241 4.581 4.340 0.001 0.000 0.278 342 L C 1.172 178.081 176.870 0.065 0.000 1.218 342 L CA -0.200 54.692 54.840 0.087 0.000 0.878 342 L CB 0.103 42.204 42.059 0.070 0.000 1.127 342 L HN 0.386 nan 8.230 nan 0.000 0.492 343 L N 5.456 126.666 121.223 -0.022 0.000 2.473 343 L HA 0.092 4.433 4.340 0.001 0.000 0.268 343 L C -0.966 175.742 176.870 -0.269 0.000 1.215 343 L CA -1.324 53.416 54.840 -0.166 0.000 0.823 343 L CB 0.318 42.309 42.059 -0.113 0.000 1.099 343 L HN 0.505 nan 8.230 nan 0.000 0.483 344 P HA -0.078 nan 4.420 nan 0.000 0.217 344 P C -0.026 177.163 177.300 -0.184 0.000 1.151 344 P CA 1.395 64.232 63.100 -0.438 0.000 0.828 344 P CB 0.352 31.636 31.700 -0.694 0.000 0.788 345 R N -0.748 119.653 120.500 -0.165 0.000 2.795 345 R HA 0.503 4.843 4.340 0.001 0.000 0.275 345 R C -2.739 173.533 176.300 -0.047 0.000 0.981 345 R CA -2.636 53.416 56.100 -0.080 0.000 0.917 345 R CB 1.094 31.358 30.300 -0.061 0.000 1.202 345 R HN -0.105 nan 8.270 nan 0.000 0.469 346 P HA 0.020 nan 4.420 nan 0.000 0.268 346 P C -0.815 176.514 177.300 0.049 0.000 1.205 346 P CA -0.186 62.941 63.100 0.044 0.000 0.771 346 P CB 0.578 32.318 31.700 0.067 0.000 0.858 347 V N 5.669 125.618 119.914 0.059 0.000 2.357 347 V HA 0.327 4.448 4.120 0.001 0.000 0.284 347 V C -2.050 174.053 176.094 0.015 0.000 1.018 347 V CA -2.085 60.231 62.300 0.026 0.000 0.841 347 V CB 1.422 33.251 31.823 0.010 0.000 0.991 347 V HN 0.546 nan 8.190 nan 0.000 0.437 348 P HA 0.168 nan 4.420 nan 0.000 0.271 348 P C -0.684 176.479 177.300 -0.229 0.000 1.216 348 P CA 0.005 63.018 63.100 -0.144 0.000 0.771 348 P CB 1.105 32.739 31.700 -0.109 0.000 0.864 349 V N 3.825 123.516 119.914 -0.371 0.000 2.284 349 V HA 0.163 4.283 4.120 0.001 0.000 0.274 349 V C 0.493 176.071 176.094 -0.861 0.000 1.023 349 V CA 0.053 62.016 62.300 -0.562 0.000 0.808 349 V CB 0.878 32.374 31.823 -0.546 0.000 1.035 349 V HN 0.487 nan 8.190 nan 0.000 0.445 350 D N 3.460 123.473 120.400 -0.645 0.000 2.398 350 D HA 0.189 4.830 4.640 0.001 0.000 0.210 350 D C 0.713 176.866 176.300 -0.245 0.000 1.094 350 D CA 0.023 53.778 54.000 -0.408 0.000 0.839 350 D CB 0.317 41.002 40.800 -0.191 0.000 0.963 350 D HN 0.557 nan 8.370 nan 0.000 0.506 351 F N 1.280 121.196 119.950 -0.056 0.000 3.067 351 F HA -0.281 4.247 4.527 0.001 0.000 0.279 351 F C 0.861 176.640 175.800 -0.035 0.000 0.945 351 F CA 0.147 58.121 58.000 -0.044 0.000 0.948 351 F CB -1.859 37.113 39.000 -0.046 0.000 0.898 351 F HN 0.083 nan 8.300 nan 0.000 0.746 352 D N -0.619 119.804 120.400 0.037 0.000 2.929 352 D HA 0.168 4.808 4.640 0.001 0.000 0.246 352 D C 1.211 177.522 176.300 0.019 0.000 1.237 352 D CA 1.000 55.015 54.000 0.025 0.000 1.171 352 D CB -0.073 40.723 40.800 -0.005 0.000 0.933 352 D HN 0.069 nan 8.370 nan 0.000 0.216 353 D N -1.800 118.600 120.400 -0.000 0.000 2.448 353 D HA 0.072 4.712 4.640 0.001 0.000 0.256 353 D C 1.535 177.830 176.300 -0.008 0.000 1.108 353 D CA 0.407 54.407 54.000 0.001 0.000 0.848 353 D CB 0.272 41.073 40.800 0.002 0.000 1.281 353 D HN 0.215 nan 8.370 nan 0.000 0.509 354 T N 0.811 115.353 114.554 -0.020 0.000 2.929 354 T HA -0.033 4.317 4.350 0.001 0.000 0.271 354 T C 0.634 175.312 174.700 -0.037 0.000 1.085 354 T CA 0.800 62.884 62.100 -0.026 0.000 1.125 354 T CB 0.343 69.191 68.868 -0.035 0.000 0.874 354 T HN -0.057 nan 8.240 nan 0.000 0.494 355 L N 1.065 122.258 121.223 -0.050 0.000 2.572 355 L HA 0.274 4.615 4.340 0.001 0.000 0.249 355 L C -2.295 174.545 176.870 -0.052 0.000 1.114 355 L CA -1.050 53.752 54.840 -0.063 0.000 0.933 355 L CB 1.538 43.526 42.059 -0.118 0.000 1.131 355 L HN -0.249 nan 8.230 nan 0.000 0.507 356 P HA -0.001 nan 4.420 nan 0.000 0.220 356 P C 0.272 177.697 177.300 0.209 0.000 1.152 356 P CA 1.097 64.254 63.100 0.096 0.000 0.812 356 P CB 0.399 32.136 31.700 0.062 0.000 0.792 357 V N -3.387 116.614 119.914 0.146 0.000 2.962 357 V HA 0.549 4.670 4.120 0.001 0.000 0.313 357 V C -0.680 175.473 176.094 0.098 0.000 1.099 357 V CA -1.763 60.652 62.300 0.192 0.000 0.971 357 V CB 2.047 33.930 31.823 0.099 0.000 1.028 357 V HN -0.185 nan 8.190 nan 0.000 0.430 358 L N 3.170 124.462 121.223 0.115 0.000 2.283 358 L HA 0.568 4.909 4.340 0.001 0.000 0.287 358 L C 0.530 177.339 176.870 -0.101 0.000 1.073 358 L CA 0.706 55.517 54.840 -0.049 0.000 0.822 358 L CB 0.958 42.953 42.059 -0.106 0.000 1.186 358 L HN 0.962 nan 8.230 nan 0.000 0.436 359 S N 4.611 120.263 115.700 -0.079 0.000 2.404 359 S HA 0.723 5.194 4.470 0.001 0.000 0.309 359 S C -0.065 174.514 174.600 -0.035 0.000 1.076 359 S CA -0.413 57.776 58.200 -0.019 0.000 1.095 359 S CB 0.129 63.358 63.200 0.049 0.000 0.972 359 S HN 0.829 nan 8.310 nan 0.000 0.484 360 A N 4.647 127.431 122.820 -0.061 0.000 2.394 360 A HA 0.753 5.074 4.320 0.001 0.000 0.333 360 A C 0.419 178.100 177.584 0.163 0.000 1.397 360 A CA -0.589 51.460 52.037 0.020 0.000 0.884 360 A CB 0.133 19.014 19.000 -0.198 0.000 1.147 360 A HN 1.015 nan 8.150 nan 0.000 0.505 361 A N 3.767 126.702 122.820 0.190 0.000 2.313 361 A HA 0.708 5.029 4.320 0.001 0.000 0.261 361 A C -2.517 175.103 177.584 0.060 0.000 1.090 361 A CA -1.621 50.489 52.037 0.122 0.000 0.807 361 A CB -0.306 18.762 19.000 0.113 0.000 1.055 361 A HN 0.533 nan 8.150 nan 0.000 0.492 362 P HA 0.196 nan 4.420 nan 0.000 0.260 362 P C 0.515 177.656 177.300 -0.265 0.000 1.172 362 P CA 2.192 65.252 63.100 -0.067 0.000 0.760 362 P CB 0.726 32.468 31.700 0.069 0.000 0.773 363 A N 2.444 124.978 122.820 -0.476 0.000 3.384 363 A HA -0.235 4.086 4.320 0.001 0.000 0.260 363 A C 0.512 177.805 177.584 -0.485 0.000 1.168 363 A CA 0.783 52.444 52.037 -0.626 0.000 1.253 363 A CB -2.350 16.107 19.000 -0.905 0.000 1.122 363 A HN 0.560 nan 8.150 nan 0.000 0.934 364 E N -0.529 119.490 120.200 -0.303 0.000 2.349 364 E HA 0.553 4.903 4.350 0.001 0.000 0.265 364 E C 0.201 176.603 176.600 -0.329 0.000 1.064 364 E CA -0.496 55.738 56.400 -0.278 0.000 0.886 364 E CB 0.564 30.191 29.700 -0.122 0.000 1.036 364 E HN 0.493 nan 8.360 nan 0.000 0.413 365 R N 1.130 121.328 120.500 -0.504 0.000 2.740 365 R HA 0.510 4.850 4.340 0.001 0.000 0.282 365 R C -1.158 174.718 176.300 -0.705 0.000 0.969 365 R CA -0.541 55.334 56.100 -0.375 0.000 0.918 365 R CB 1.240 31.437 30.300 -0.171 0.000 1.175 365 R HN 0.354 nan 8.270 nan 0.000 0.464 366 F N 0.441 120.378 119.950 -0.021 0.000 2.579 366 F HA 0.211 4.739 4.527 0.001 0.000 0.325 366 F C -0.421 175.392 175.800 0.022 0.000 1.162 366 F CA -0.981 57.024 58.000 0.008 0.000 0.946 366 F CB 1.834 40.838 39.000 0.007 0.000 1.211 366 F HN 0.303 nan 8.300 nan 0.000 0.447 367 D N 4.986 125.477 120.400 0.153 0.000 2.380 367 D HA 0.458 5.098 4.640 0.001 0.000 0.230 367 D C -0.954 175.431 176.300 0.141 0.000 1.154 367 D CA 0.111 54.181 54.000 0.118 0.000 0.859 367 D CB 0.655 41.500 40.800 0.075 0.000 1.045 367 D HN 0.454 nan 8.370 nan 0.000 0.495 368 L N 3.793 125.101 121.223 0.142 0.000 2.346 368 L HA 0.476 4.817 4.340 0.001 0.000 0.276 368 L C -0.125 176.828 176.870 0.139 0.000 1.006 368 L CA -0.976 53.948 54.840 0.141 0.000 0.817 368 L CB 1.899 44.030 42.059 0.120 0.000 1.272 368 L HN 0.148 nan 8.230 nan 0.000 0.421 369 L N 3.395 124.732 121.223 0.191 0.000 2.325 369 L HA 0.619 4.959 4.340 0.001 0.000 0.279 369 L C -0.604 176.384 176.870 0.197 0.000 1.054 369 L CA -0.849 54.141 54.840 0.250 0.000 0.804 369 L CB 1.981 44.279 42.059 0.397 0.000 1.200 369 L HN 0.275 nan 8.230 nan 0.000 0.436 370 V N 1.416 121.341 119.914 0.019 0.000 2.443 370 V HA 0.178 4.298 4.120 0.001 0.000 0.293 370 V C -0.679 175.009 176.094 -0.677 0.000 1.021 370 V CA -0.541 61.518 62.300 -0.402 0.000 0.848 370 V CB 1.882 33.299 31.823 -0.677 0.000 0.998 370 V HN 0.640 nan 8.190 nan 0.000 0.424 371 D N 4.148 124.016 120.400 -0.886 0.000 2.468 371 D HA 0.263 4.903 4.640 0.001 0.000 0.218 371 D C 0.230 176.077 176.300 -0.755 0.000 1.155 371 D CA -0.292 52.975 54.000 -1.222 0.000 0.924 371 D CB 0.466 40.346 40.800 -1.532 0.000 1.029 371 D HN 0.353 nan 8.370 nan 0.000 0.515 372 F N 1.980 121.717 119.950 -0.354 0.000 2.693 372 F HA 0.249 4.777 4.527 0.001 0.000 0.303 372 F C 2.099 177.807 175.800 -0.154 0.000 1.143 372 F CA -0.179 57.690 58.000 -0.219 0.000 1.389 372 F CB 0.006 38.906 39.000 -0.165 0.000 1.060 372 F HN 0.245 nan 8.300 nan 0.000 0.535 373 R N 0.243 120.703 120.500 -0.066 0.000 2.096 373 R HA -0.075 4.266 4.340 0.001 0.000 0.235 373 R C 2.005 178.314 176.300 0.014 0.000 1.127 373 R CA 1.278 57.375 56.100 -0.004 0.000 0.968 373 R CB -0.321 29.969 30.300 -0.017 0.000 0.861 373 R HN 0.233 nan 8.270 nan 0.000 0.440 374 A N -0.021 122.793 122.820 -0.010 0.000 2.337 374 A HA 0.171 4.491 4.320 0.001 0.000 0.227 374 A C 1.131 178.722 177.584 0.011 0.000 1.259 374 A CA 0.181 52.218 52.037 0.001 0.000 0.870 374 A CB 0.223 19.215 19.000 -0.012 0.000 0.927 374 A HN 0.174 nan 8.150 nan 0.000 0.497 375 L N -0.613 120.628 121.223 0.030 0.000 3.229 375 L HA 0.258 4.599 4.340 0.001 0.000 0.286 375 L C 1.205 178.080 176.870 0.009 0.000 1.239 375 L CA -0.437 54.423 54.840 0.033 0.000 1.035 375 L CB 0.712 42.822 42.059 0.086 0.000 1.408 375 L HN 0.376 nan 8.230 nan 0.000 0.593 376 G N -0.685 108.119 108.800 0.007 0.000 2.414 376 G HA2 0.332 4.292 3.960 0.001 0.000 0.236 376 G HA3 0.332 4.292 3.960 0.001 0.000 0.236 376 G C 1.128 176.015 174.900 -0.021 0.000 1.293 376 G CA 0.622 45.715 45.100 -0.012 0.000 0.869 376 G HN 0.420 nan 8.290 nan 0.000 0.556 377 G N 0.883 109.661 108.800 -0.036 0.000 2.184 377 G HA2 -0.249 3.712 3.960 0.001 0.000 0.264 377 G HA3 -0.249 3.712 3.960 0.001 0.000 0.264 377 G C 0.619 175.491 174.900 -0.046 0.000 0.975 377 G CA 0.537 45.614 45.100 -0.038 0.000 0.642 377 G HN 0.806 nan 8.290 nan 0.000 0.536 378 R N -0.464 120.004 120.500 -0.052 0.000 2.787 378 R HA 0.724 5.064 4.340 0.001 0.000 0.271 378 R C -0.065 176.191 176.300 -0.073 0.000 0.993 378 R CA -0.899 55.171 56.100 -0.050 0.000 0.993 378 R CB 1.083 31.366 30.300 -0.028 0.000 1.155 378 R HN 0.234 nan 8.270 nan 0.000 0.486 379 R N 1.214 121.671 120.500 -0.072 0.000 2.343 379 R HA 0.508 4.848 4.340 0.001 0.000 0.320 379 R C -0.560 175.701 176.300 -0.065 0.000 0.956 379 R CA -0.337 55.707 56.100 -0.094 0.000 0.836 379 R CB 1.193 31.416 30.300 -0.128 0.000 1.151 379 R HN 0.366 nan 8.270 nan 0.000 0.450 380 L N 2.713 123.924 121.223 -0.021 0.000 2.342 380 L HA 0.656 4.997 4.340 0.001 0.000 0.271 380 L C -0.049 176.839 176.870 0.030 0.000 1.008 380 L CA -1.021 53.839 54.840 0.033 0.000 0.818 380 L CB 2.055 44.190 42.059 0.127 0.000 1.296 380 L HN 0.394 nan 8.230 nan 0.000 0.427 381 R N 1.580 122.071 120.500 -0.015 0.000 2.534 381 R HA 0.555 4.896 4.340 0.001 0.000 0.301 381 R C -1.308 175.007 176.300 0.025 0.000 0.961 381 R CA -0.995 55.070 56.100 -0.058 0.000 0.871 381 R CB 2.221 32.467 30.300 -0.090 0.000 1.170 381 R HN 0.283 nan 8.270 nan 0.000 0.446 382 L N 4.127 125.397 121.223 0.078 0.000 2.331 382 L HA 0.333 4.674 4.340 0.001 0.000 0.278 382 L C -0.391 176.511 176.870 0.053 0.000 1.106 382 L CA -0.051 54.832 54.840 0.072 0.000 0.824 382 L CB 1.447 43.587 42.059 0.135 0.000 1.142 382 L HN 0.489 nan 8.230 nan 0.000 0.443 383 V N 0.560 120.482 119.914 0.015 0.000 3.040 383 V HA 0.678 4.799 4.120 0.001 0.000 0.312 383 V C -0.881 175.254 176.094 0.068 0.000 1.115 383 V CA -1.026 61.299 62.300 0.042 0.000 0.998 383 V CB 2.074 33.895 31.823 -0.003 0.000 1.042 383 V HN 0.673 nan 8.190 nan 0.000 0.433 384 D N 1.825 122.297 120.400 0.120 0.000 2.232 384 D HA 0.325 4.966 4.640 0.001 0.000 0.242 384 D C -0.435 175.883 176.300 0.030 0.000 1.093 384 D CA -0.203 53.878 54.000 0.135 0.000 0.845 384 D CB 1.658 42.589 40.800 0.218 0.000 1.124 384 D HN 0.835 nan 8.370 nan 0.000 0.467 385 K N 2.952 123.355 120.400 0.004 0.000 2.234 385 K HA 0.558 4.878 4.320 0.001 0.000 0.277 385 K C 0.150 176.721 176.600 -0.048 0.000 1.038 385 K CA -0.770 55.502 56.287 -0.025 0.000 0.888 385 K CB 0.947 33.436 32.500 -0.020 0.000 1.091 385 K HN 0.520 nan 8.250 nan 0.000 0.467 386 G N 3.899 112.661 108.800 -0.063 0.000 2.503 386 G HA2 0.152 4.112 3.960 0.001 0.000 0.257 386 G HA3 0.152 4.112 3.960 0.001 0.000 0.257 386 G C -1.480 173.378 174.900 -0.071 0.000 1.214 386 G CA -1.324 43.725 45.100 -0.085 0.000 0.839 386 G HN 0.548 nan 8.290 nan 0.000 0.559 387 P HA -0.057 nan 4.420 nan 0.000 0.221 387 P C 1.275 178.541 177.300 -0.056 0.000 1.145 387 P CA 1.520 64.582 63.100 -0.063 0.000 0.795 387 P CB 0.326 31.982 31.700 -0.073 0.000 0.775 388 G N -1.727 107.035 108.800 -0.063 0.000 3.324 388 G HA2 0.520 4.481 3.960 0.001 0.000 0.251 388 G HA3 0.520 4.481 3.960 0.001 0.000 0.251 388 G C 0.125 174.993 174.900 -0.052 0.000 1.072 388 G CA 0.459 45.525 45.100 -0.057 0.000 0.787 388 G HN 0.525 nan 8.290 nan 0.000 0.537 389 A N -0.022 122.767 122.820 -0.051 0.000 2.604 389 A HA 0.800 5.121 4.320 0.001 0.000 0.295 389 A C -3.113 174.447 177.584 -0.041 0.000 1.067 389 A CA -1.208 50.802 52.037 -0.046 0.000 0.683 389 A CB 1.179 20.147 19.000 -0.053 0.000 1.281 389 A HN -0.027 nan 8.150 nan 0.000 0.407 390 P HA 0.339 nan 4.420 nan 0.000 0.267 390 P C 0.203 177.479 177.300 -0.040 0.000 1.200 390 P CA 0.413 63.493 63.100 -0.033 0.000 0.772 390 P CB 0.462 32.144 31.700 -0.030 0.000 0.855 391 A N 2.671 125.465 122.820 -0.043 0.000 2.598 391 A HA 0.327 4.648 4.320 0.001 0.000 0.239 391 A C 1.655 179.207 177.584 -0.054 0.000 1.032 391 A CA 0.991 52.995 52.037 -0.056 0.000 0.760 391 A CB -1.525 17.425 19.000 -0.083 0.000 0.946 391 A HN 0.929 nan 8.150 nan 0.000 0.512 392 G N 1.843 110.615 108.800 -0.047 0.000 2.225 392 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 392 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 392 G C 0.486 175.362 174.900 -0.039 0.000 0.988 392 G CA 0.620 45.696 45.100 -0.039 0.000 0.625 392 G HN 1.308 nan 8.290 nan 0.000 0.527 393 T N 3.770 118.299 114.554 -0.043 0.000 2.771 393 T HA 0.530 4.880 4.350 0.001 0.000 0.291 393 T C -2.192 172.474 174.700 -0.056 0.000 0.954 393 T CA -0.712 61.361 62.100 -0.045 0.000 1.045 393 T CB 1.869 70.711 68.868 -0.043 0.000 0.917 393 T HN 0.076 nan 8.240 nan 0.000 0.484 394 P HA 0.144 nan 4.420 nan 0.000 0.265 394 P C -0.469 176.771 177.300 -0.100 0.000 1.193 394 P CA 0.024 63.071 63.100 -0.089 0.000 0.765 394 P CB 0.383 32.026 31.700 -0.096 0.000 0.823 395 D N 3.927 124.255 120.400 -0.120 0.000 2.513 395 D HA 0.165 4.805 4.640 0.001 0.000 0.295 395 D C -1.657 174.552 176.300 -0.152 0.000 1.202 395 D CA -2.189 51.739 54.000 -0.120 0.000 0.849 395 D CB 0.457 41.194 40.800 -0.105 0.000 1.116 395 D HN 0.075 nan 8.370 nan 0.000 0.502 396 P HA -0.139 nan 4.420 nan 0.000 0.216 396 P C 1.815 179.020 177.300 -0.158 0.000 1.150 396 P CA 0.645 63.631 63.100 -0.190 0.000 0.837 396 P CB 0.597 32.184 31.700 -0.188 0.000 0.786 397 L N -0.777 120.368 121.223 -0.129 0.000 2.131 397 L HA -0.042 4.299 4.340 0.001 0.000 0.210 397 L C 2.531 179.322 176.870 -0.131 0.000 1.092 397 L CA 1.642 56.412 54.840 -0.116 0.000 0.759 397 L CB -1.272 40.732 42.059 -0.092 0.000 0.903 397 L HN 0.058 nan 8.230 nan 0.000 0.435 398 G N -1.532 107.186 108.800 -0.138 0.000 3.088 398 G HA2 0.262 4.222 3.960 0.001 0.000 0.212 398 G HA3 0.262 4.222 3.960 0.001 0.000 0.212 398 G C 1.188 175.967 174.900 -0.201 0.000 1.173 398 G CA 0.406 45.414 45.100 -0.153 0.000 0.779 398 G HN 0.488 nan 8.290 nan 0.000 0.540 399 G N -1.237 107.433 108.800 -0.216 0.000 2.136 399 G HA2 -0.215 3.745 3.960 0.001 0.000 0.242 399 G HA3 -0.215 3.745 3.960 0.001 0.000 0.242 399 G C 0.140 174.897 174.900 -0.238 0.000 0.989 399 G CA 0.201 45.143 45.100 -0.264 0.000 0.682 399 G HN 0.905 nan 8.290 nan 0.000 0.522 400 V N 0.745 120.539 119.914 -0.201 0.000 2.384 400 V HA 0.340 4.461 4.120 0.001 0.000 0.257 400 V C 1.469 177.444 176.094 -0.198 0.000 0.969 400 V CA 0.288 62.487 62.300 -0.168 0.000 0.910 400 V CB 0.758 32.505 31.823 -0.126 0.000 1.150 400 V HN 0.434 nan 8.190 nan 0.000 0.481 401 R N 2.236 122.558 120.500 -0.297 0.000 2.105 401 R HA -0.076 4.265 4.340 0.001 0.000 0.239 401 R C -0.161 175.813 176.300 -0.543 0.000 1.135 401 R CA 1.719 57.510 56.100 -0.515 0.000 0.967 401 R CB 0.116 29.959 30.300 -0.762 0.000 0.861 401 R HN 0.585 nan 8.270 nan 0.000 0.442 402 Y N -0.722 119.535 120.300 -0.071 0.000 2.526 402 Y HA 0.318 4.869 4.550 0.001 0.000 0.328 402 Y C -1.859 173.992 175.900 -0.082 0.000 0.995 402 Y CA -2.748 55.291 58.100 -0.101 0.000 1.304 402 Y CB 2.020 40.477 38.460 -0.005 0.000 1.096 402 Y HN 0.064 nan 8.280 nan 0.000 0.499 403 P HA -0.207 nan 4.420 nan 0.000 0.216 403 P C 0.103 177.418 177.300 0.024 0.000 1.150 403 P CA 1.338 64.445 63.100 0.012 0.000 0.843 403 P CB 0.175 31.860 31.700 -0.025 0.000 0.787 404 E N -0.103 120.015 120.200 -0.137 0.000 2.414 404 E HA 0.024 4.375 4.350 0.001 0.000 0.263 404 E C 0.487 177.119 176.600 0.053 0.000 1.000 404 E CA 0.082 56.387 56.400 -0.158 0.000 0.914 404 E CB 1.053 30.443 29.700 -0.517 0.000 0.948 404 E HN -0.010 nan 8.360 nan 0.000 0.444 405 V N 2.511 122.563 119.914 0.231 0.000 3.097 405 V HA 0.201 4.321 4.120 0.001 0.000 0.223 405 V C 0.691 176.994 176.094 0.349 0.000 1.199 405 V CA 1.364 63.845 62.300 0.303 0.000 1.260 405 V CB -0.022 31.886 31.823 0.142 0.000 1.155 405 V HN 0.889 nan 8.190 nan 0.000 0.509 406 M N -0.705 119.044 119.600 0.248 0.000 2.833 406 M HA 0.653 5.134 4.480 0.001 0.000 0.270 406 M C -1.370 174.793 176.300 -0.228 0.000 1.209 406 M CA -0.551 54.832 55.300 0.138 0.000 0.826 406 M CB 2.629 35.164 32.600 -0.107 0.000 1.657 406 M HN 0.079 nan 8.290 nan 0.000 0.492 407 E N 0.956 120.836 120.200 -0.534 0.000 2.222 407 E HA 0.652 5.002 4.350 0.001 0.000 0.267 407 E C -2.135 174.102 176.600 -0.605 0.000 0.884 407 E CA -0.648 55.307 56.400 -0.743 0.000 0.764 407 E CB 1.894 30.828 29.700 -1.277 0.000 1.169 407 E HN 0.605 nan 8.360 nan 0.000 0.413 408 F N 2.678 122.484 119.950 -0.239 0.000 2.427 408 F HA 0.457 4.985 4.527 0.001 0.000 0.346 408 F C 0.279 175.905 175.800 -0.290 0.000 1.120 408 F CA -0.760 57.082 58.000 -0.264 0.000 1.033 408 F CB 1.522 40.332 39.000 -0.318 0.000 1.126 408 F HN 0.253 nan 8.300 nan 0.000 0.462 409 R N 2.882 123.320 120.500 -0.105 0.000 2.239 409 R HA 0.492 4.833 4.340 0.001 0.000 0.332 409 R C -1.327 174.865 176.300 -0.180 0.000 0.988 409 R CA -0.705 55.313 56.100 -0.136 0.000 0.859 409 R CB 1.431 31.658 30.300 -0.122 0.000 1.148 409 R HN 0.366 nan 8.270 nan 0.000 0.482 410 V N 4.146 123.933 119.914 -0.211 0.000 2.389 410 V HA 0.203 4.324 4.120 0.001 0.000 0.264 410 V C 0.803 176.825 176.094 -0.121 0.000 1.049 410 V CA -0.458 61.695 62.300 -0.244 0.000 0.932 410 V CB 0.714 32.372 31.823 -0.274 0.000 1.011 410 V HN 0.574 nan 8.190 nan 0.000 0.475 411 R N 3.475 123.923 120.500 -0.088 0.000 2.298 411 R HA 0.197 4.537 4.340 0.001 0.000 0.310 411 R C 0.210 176.501 176.300 -0.015 0.000 1.068 411 R CA -0.303 55.775 56.100 -0.037 0.000 0.957 411 R CB 0.737 31.030 30.300 -0.012 0.000 1.003 411 R HN 0.850 nan 8.270 nan 0.000 0.454 412 E N 2.674 122.868 120.200 -0.010 0.000 2.223 412 E HA 0.086 4.436 4.350 0.001 0.000 0.282 412 E C -0.854 175.756 176.600 0.016 0.000 1.046 412 E CA -0.068 56.335 56.400 0.005 0.000 0.857 412 E CB 0.847 30.548 29.700 0.001 0.000 1.055 412 E HN 0.435 nan 8.360 nan 0.000 0.409 413 T N 2.923 117.494 114.554 0.029 0.000 2.919 413 T HA 0.231 4.581 4.350 0.001 0.000 0.282 413 T C -0.016 174.704 174.700 0.033 0.000 1.020 413 T CA -0.713 61.407 62.100 0.033 0.000 0.994 413 T CB 1.307 70.203 68.868 0.046 0.000 1.180 413 T HN 0.578 nan 8.240 nan 0.000 0.566 414 C N 1.385 120.704 119.300 0.032 0.000 2.760 414 C HA 0.309 4.770 4.460 0.001 0.000 0.293 414 C C 0.824 175.837 174.990 0.038 0.000 1.383 414 C CA -0.321 58.716 59.018 0.032 0.000 1.771 414 C CB -1.629 26.126 27.740 0.025 0.000 2.353 414 C HN 0.739 nan 8.230 nan 0.000 0.578 415 E N 1.385 121.613 120.200 0.046 0.000 2.349 415 E HA 0.194 4.545 4.350 0.001 0.000 0.265 415 E C -0.118 176.521 176.600 0.064 0.000 1.064 415 E CA 0.110 56.541 56.400 0.053 0.000 0.886 415 E CB 0.653 30.388 29.700 0.058 0.000 1.036 415 E HN 0.337 nan 8.360 nan 0.000 0.413 416 E N 1.956 122.195 120.200 0.065 0.000 2.133 416 E HA 0.117 4.467 4.350 0.001 0.000 0.274 416 E C -1.202 175.457 176.600 0.100 0.000 0.930 416 E CA -0.465 55.983 56.400 0.079 0.000 0.770 416 E CB 1.399 31.136 29.700 0.062 0.000 1.104 416 E HN 0.343 nan 8.360 nan 0.000 0.403 417 D N 1.686 122.173 120.400 0.146 0.000 2.373 417 D HA 0.096 4.736 4.640 0.001 0.000 0.227 417 D C -0.067 176.352 176.300 0.199 0.000 1.091 417 D CA -0.356 53.761 54.000 0.194 0.000 0.840 417 D CB 0.776 41.761 40.800 0.308 0.000 1.060 417 D HN 0.172 nan 8.370 nan 0.000 0.502 418 S N 3.565 119.344 115.700 0.132 0.000 2.582 418 S HA 0.138 4.608 4.470 0.001 0.000 0.249 418 S C 0.405 175.026 174.600 0.035 0.000 1.072 418 S CA -0.824 57.425 58.200 0.080 0.000 1.115 418 S CB -0.612 62.610 63.200 0.037 0.000 0.790 418 S HN 0.378 nan 8.310 nan 0.000 0.459 419 F N 2.867 122.739 119.950 -0.130 0.000 2.443 419 F HA 0.559 5.086 4.527 0.001 0.000 0.353 419 F C 0.193 175.739 175.800 -0.424 0.000 1.101 419 F CA -0.867 56.920 58.000 -0.354 0.000 1.226 419 F CB 0.375 38.997 39.000 -0.630 0.000 1.140 419 F HN 0.262 nan 8.300 nan 0.000 0.557 420 A N 7.133 129.163 122.820 -1.317 0.000 2.304 420 A HA 0.596 4.917 4.320 0.001 0.000 0.314 420 A C -1.777 175.039 177.584 -1.279 0.000 1.187 420 A CA -0.719 50.761 52.037 -0.929 0.000 0.810 420 A CB 0.968 19.657 19.000 -0.517 0.000 1.183 420 A HN 0.756 nan 8.150 nan 0.000 0.487 421 L N 5.647 126.350 121.223 -0.868 0.000 2.259 421 L HA 0.534 4.874 4.340 0.001 0.000 0.288 421 L C -1.882 174.790 176.870 -0.330 0.000 1.051 421 L CA -1.602 52.878 54.840 -0.600 0.000 0.824 421 L CB 0.591 42.392 42.059 -0.430 0.000 1.206 421 L HN 0.558 nan 8.230 nan 0.000 0.429 422 P HA 0.224 nan 4.420 nan 0.000 0.276 422 P C -0.026 177.212 177.300 -0.103 0.000 1.252 422 P CA -0.372 62.627 63.100 -0.169 0.000 0.802 422 P CB 1.070 32.681 31.700 -0.148 0.000 1.035 423 E N -0.335 119.822 120.200 -0.072 0.000 2.072 423 E HA 0.021 4.372 4.350 0.001 0.000 0.190 423 E C 0.372 176.951 176.600 -0.036 0.000 0.982 423 E CA 0.948 57.323 56.400 -0.042 0.000 0.803 423 E CB 0.014 29.695 29.700 -0.032 0.000 0.755 423 E HN 0.225 nan 8.360 nan 0.000 0.453 424 V N 1.594 121.486 119.914 -0.038 0.000 2.612 424 V HA 0.077 4.198 4.120 0.001 0.000 0.301 424 V C 0.723 176.794 176.094 -0.038 0.000 1.046 424 V CA -0.137 62.143 62.300 -0.032 0.000 0.946 424 V CB 1.928 33.741 31.823 -0.017 0.000 1.003 424 V HN 0.077 nan 8.190 nan 0.000 0.459 425 L N 3.037 124.241 121.223 -0.033 0.000 2.600 425 L HA 0.451 4.792 4.340 0.001 0.000 0.213 425 L C 0.997 177.864 176.870 -0.006 0.000 1.045 425 L CA 1.038 55.860 54.840 -0.029 0.000 0.863 425 L CB 0.821 42.862 42.059 -0.030 0.000 1.189 425 L HN 0.650 nan 8.230 nan 0.000 0.484 426 S N -0.869 114.838 115.700 0.012 0.000 2.498 426 S HA 0.550 5.021 4.470 0.001 0.000 0.317 426 S C 0.884 175.534 174.600 0.084 0.000 1.090 426 S CA -0.175 58.059 58.200 0.058 0.000 1.089 426 S CB 1.378 64.642 63.200 0.106 0.000 0.997 426 S HN 0.344 nan 8.310 nan 0.000 0.470 427 G N 2.375 111.214 108.800 0.065 0.000 2.712 427 G HA2 -0.035 3.926 3.960 0.001 0.000 0.212 427 G HA3 -0.035 3.926 3.960 0.001 0.000 0.212 427 G C 1.433 176.380 174.900 0.079 0.000 1.142 427 G CA 0.627 45.764 45.100 0.063 0.000 0.789 427 G HN 0.899 nan 8.290 nan 0.000 0.535 428 S N -0.157 115.600 115.700 0.095 0.000 2.436 428 S HA 0.160 4.631 4.470 0.001 0.000 0.228 428 S C 0.888 175.564 174.600 0.127 0.000 1.014 428 S CA -0.535 57.717 58.200 0.085 0.000 0.950 428 S CB -0.350 62.888 63.200 0.062 0.000 0.784 428 S HN 0.132 nan 8.310 nan 0.000 0.504 429 F N 4.351 124.335 119.950 0.057 0.000 2.607 429 F HA 0.320 4.848 4.527 0.001 0.000 0.374 429 F C 0.575 176.395 175.800 0.034 0.000 1.104 429 F CA -0.110 57.934 58.000 0.073 0.000 1.296 429 F CB 0.472 39.498 39.000 0.044 0.000 1.085 429 F HN 0.071 nan 8.300 nan 0.000 0.584 430 R N 4.905 124.908 120.500 -0.828 0.000 2.538 430 R HA 0.278 4.619 4.340 0.001 0.000 0.292 430 R C -0.908 174.872 176.300 -0.867 0.000 1.008 430 R CA -1.383 54.385 56.100 -0.554 0.000 0.896 430 R CB 1.510 31.656 30.300 -0.256 0.000 1.187 430 R HN 0.581 nan 8.270 nan 0.000 0.440 431 R N 2.354 122.614 120.500 -0.400 0.000 2.538 431 R HA 0.052 4.392 4.340 0.001 0.000 0.282 431 R C 0.345 176.543 176.300 -0.170 0.000 1.009 431 R CA 0.425 56.427 56.100 -0.163 0.000 1.063 431 R CB 0.371 30.710 30.300 0.066 0.000 0.945 431 R HN 0.495 nan 8.270 nan 0.000 0.414 432 M N 2.996 122.516 119.600 -0.134 0.000 2.303 432 M HA -0.016 4.465 4.480 0.001 0.000 0.350 432 M C 0.171 176.440 176.300 -0.052 0.000 1.518 432 M CA 0.706 55.953 55.300 -0.088 0.000 1.070 432 M CB 0.803 33.375 32.600 -0.047 0.000 1.910 432 M HN 0.584 nan 8.290 nan 0.000 0.458 433 S N 2.372 118.031 115.700 -0.069 0.000 2.480 433 S HA 0.127 4.597 4.470 0.001 0.000 0.286 433 S C 1.235 175.823 174.600 -0.019 0.000 1.180 433 S CA -0.503 57.682 58.200 -0.025 0.000 1.075 433 S CB 0.442 63.624 63.200 -0.030 0.000 0.996 433 S HN 0.774 nan 8.310 nan 0.000 0.487 434 H N 3.151 122.187 119.070 -0.057 0.000 2.518 434 H HA -0.122 4.435 4.556 0.001 0.000 0.294 434 H C 0.386 175.766 175.328 0.087 0.000 1.083 434 H CA 1.779 57.814 56.048 -0.022 0.000 1.264 434 H CB 0.290 30.073 29.762 0.035 0.000 1.370 434 H HN 0.662 nan 8.280 nan 0.000 0.560 435 D N 0.285 120.688 120.400 0.005 0.000 2.348 435 D HA 0.032 4.673 4.640 0.001 0.000 0.216 435 D C 0.586 176.848 176.300 -0.063 0.000 0.970 435 D CA 0.274 54.256 54.000 -0.031 0.000 0.889 435 D CB 0.099 40.894 40.800 -0.008 0.000 0.912 435 D HN 0.379 nan 8.370 nan 0.000 0.524 436 I N 2.235 122.746 120.570 -0.098 0.000 2.533 436 I HA 0.102 4.272 4.170 0.001 0.000 0.284 436 I C -2.020 174.076 176.117 -0.036 0.000 1.109 436 I CA -1.925 59.278 61.300 -0.161 0.000 1.412 436 I CB 0.540 38.298 38.000 -0.402 0.000 1.396 436 I HN -0.282 nan 8.210 nan 0.000 0.543 437 P HA 0.026 nan 4.420 nan 0.000 0.265 437 P C -0.881 176.440 177.300 0.034 0.000 1.193 437 P CA 0.610 63.681 63.100 -0.048 0.000 0.765 437 P CB 0.321 31.998 31.700 -0.039 0.000 0.823 438 H N -0.044 118.971 119.070 -0.092 0.000 3.064 438 H HA 0.500 5.057 4.556 0.001 0.000 0.352 438 H C -0.381 174.859 175.328 -0.147 0.000 1.260 438 H CA -1.099 54.895 56.048 -0.090 0.000 1.160 438 H CB 0.572 30.255 29.762 -0.132 0.000 1.879 438 H HN 0.506 nan 8.280 nan 0.000 0.544 439 G N 0.485 109.278 108.800 -0.011 0.000 2.599 439 G HA2 0.380 4.340 3.960 0.001 0.000 0.264 439 G HA3 0.380 4.340 3.960 0.001 0.000 0.264 439 G C -1.092 173.690 174.900 -0.196 0.000 1.200 439 G CA -0.322 44.740 45.100 -0.063 0.000 0.896 439 G HN 0.702 nan 8.290 nan 0.000 0.536 440 H N -0.384 118.691 119.070 0.009 0.000 2.667 440 H HA 0.543 5.100 4.556 0.001 0.000 0.353 440 H C -0.139 175.041 175.328 -0.247 0.000 1.072 440 H CA -0.751 55.285 56.048 -0.018 0.000 1.214 440 H CB 1.731 31.508 29.762 0.024 0.000 1.600 440 H HN 0.244 nan 8.280 nan 0.000 0.527 441 R N 1.987 122.282 120.500 -0.343 0.000 2.670 441 R HA 0.449 4.789 4.340 0.001 0.000 0.289 441 R C -1.265 174.764 176.300 -0.451 0.000 0.965 441 R CA -1.237 54.450 56.100 -0.688 0.000 0.899 441 R CB 2.543 31.849 30.300 -1.657 0.000 1.173 441 R HN 0.424 nan 8.270 nan 0.000 0.456 442 L N 3.382 124.400 121.223 -0.342 0.000 2.333 442 L HA 0.532 4.872 4.340 0.001 0.000 0.280 442 L C -1.028 175.727 176.870 -0.192 0.000 1.004 442 L CA -0.377 54.283 54.840 -0.301 0.000 0.820 442 L CB 1.212 43.040 42.059 -0.386 0.000 1.247 442 L HN 0.457 nan 8.230 nan 0.000 0.416 443 I N 6.535 126.989 120.570 -0.193 0.000 2.410 443 I HA 0.349 4.520 4.170 0.001 0.000 0.286 443 I C -0.408 175.723 176.117 0.023 0.000 1.009 443 I CA -0.647 60.652 61.300 -0.001 0.000 1.111 443 I CB 1.614 39.638 38.000 0.039 0.000 1.262 443 I HN 0.243 nan 8.210 nan 0.000 0.443 444 V N 7.061 127.001 119.914 0.044 0.000 2.509 444 V HA 0.421 4.541 4.120 0.001 0.000 0.284 444 V C 0.276 176.318 176.094 -0.087 0.000 1.047 444 V CA -0.541 61.719 62.300 -0.066 0.000 0.952 444 V CB 2.135 33.894 31.823 -0.106 0.000 0.988 444 V HN 0.436 nan 8.190 nan 0.000 0.469 445 L N 4.923 126.048 121.223 -0.164 0.000 2.296 445 L HA 0.584 4.925 4.340 0.001 0.000 0.286 445 L C 0.369 177.018 176.870 -0.368 0.000 1.023 445 L CA -0.408 54.292 54.840 -0.233 0.000 0.812 445 L CB 1.776 43.732 42.059 -0.171 0.000 1.223 445 L HN 0.742 nan 8.230 nan 0.000 0.421 446 T N 0.180 114.457 114.554 -0.460 0.000 2.929 446 T HA 0.583 4.934 4.350 0.001 0.000 0.284 446 T C -2.578 171.980 174.700 -0.237 0.000 1.014 446 T CA -2.180 59.594 62.100 -0.543 0.000 1.051 446 T CB 1.738 70.114 68.868 -0.821 0.000 1.028 446 T HN 0.284 nan 8.240 nan 0.000 0.485 447 P HA 0.276 nan 4.420 nan 0.000 0.274 447 P C -2.205 175.098 177.300 0.004 0.000 1.231 447 P CA -1.709 61.379 63.100 -0.021 0.000 0.790 447 P CB 0.326 32.044 31.700 0.030 0.000 0.951 448 P HA -0.075 nan 4.420 nan 0.000 0.220 448 P C 1.330 178.645 177.300 0.025 0.000 1.148 448 P CA 1.571 64.680 63.100 0.015 0.000 0.803 448 P CB -0.337 31.367 31.700 0.005 0.000 0.782 449 G N -0.966 107.857 108.800 0.038 0.000 3.327 449 G HA2 0.013 3.973 3.960 0.001 0.000 0.240 449 G HA3 0.013 3.973 3.960 0.001 0.000 0.240 449 G C 0.111 175.056 174.900 0.075 0.000 1.222 449 G CA 0.000 45.127 45.100 0.045 0.000 0.871 449 G HN 0.154 nan 8.290 nan 0.000 0.525 450 T N 0.828 115.448 114.554 0.110 0.000 2.907 450 T HA 0.172 4.523 4.350 0.001 0.000 0.298 450 T C 0.599 175.405 174.700 0.177 0.000 1.017 450 T CA -0.302 61.900 62.100 0.169 0.000 1.118 450 T CB 1.566 70.572 68.868 0.230 0.000 0.948 450 T HN 0.226 nan 8.240 nan 0.000 0.531 451 K N 1.479 121.973 120.400 0.158 0.000 2.504 451 K HA 0.077 4.398 4.320 0.001 0.000 0.278 451 K C 1.297 178.009 176.600 0.186 0.000 1.025 451 K CA 1.154 57.522 56.287 0.136 0.000 1.093 451 K CB -0.382 32.178 32.500 0.099 0.000 0.873 451 K HN 0.983 nan 8.250 nan 0.000 0.483 452 G N 2.260 111.142 108.800 0.137 0.000 2.176 452 G HA2 -0.300 3.660 3.960 0.001 0.000 0.253 452 G HA3 -0.300 3.660 3.960 0.001 0.000 0.253 452 G C 0.472 175.470 174.900 0.162 0.000 0.979 452 G CA 0.616 45.794 45.100 0.131 0.000 0.641 452 G HN 0.758 nan 8.290 nan 0.000 0.530 453 S N -0.234 115.580 115.700 0.189 0.000 2.540 453 S HA 0.449 4.920 4.470 0.001 0.000 0.218 453 S C 1.967 176.695 174.600 0.213 0.000 0.977 453 S CA 1.152 59.482 58.200 0.216 0.000 0.918 453 S CB 0.434 63.776 63.200 0.236 0.000 0.806 453 S HN 2.253 nan 8.310 nan 0.000 0.496 454 G N 0.958 109.853 108.800 0.159 0.000 2.283 454 G HA2 0.064 4.024 3.960 0.001 0.000 0.280 454 G HA3 0.064 4.024 3.960 0.001 0.000 0.280 454 G C 1.071 176.008 174.900 0.062 0.000 1.029 454 G CA 0.378 45.566 45.100 0.147 0.000 0.840 454 G HN 1.875 nan 8.290 nan 0.000 0.505 455 G N -2.003 106.791 108.800 -0.010 0.000 2.175 455 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 455 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 455 G C 0.167 174.897 174.900 -0.283 0.000 0.982 455 G CA 0.692 45.692 45.100 -0.166 0.000 0.641 455 G HN 1.251 nan 8.290 nan 0.000 0.527 456 H N 1.013 120.118 119.070 0.058 0.000 2.533 456 H HA 0.458 5.015 4.556 0.001 0.000 0.343 456 H C -2.333 172.993 175.328 -0.003 0.000 1.160 456 H CA -1.406 54.661 56.048 0.031 0.000 1.218 456 H CB 2.065 31.854 29.762 0.044 0.000 1.566 456 H HN 0.151 nan 8.280 nan 0.000 0.522 457 P HA 0.164 nan 4.420 nan 0.000 0.274 457 P C -0.602 176.677 177.300 -0.035 0.000 1.231 457 P CA -0.231 62.840 63.100 -0.048 0.000 0.790 457 P CB 1.562 33.190 31.700 -0.120 0.000 0.951 458 E N 0.755 120.915 120.200 -0.068 0.000 2.369 458 E HA 0.486 4.836 4.350 0.001 0.000 0.270 458 E C -0.451 176.138 176.600 -0.019 0.000 0.909 458 E CA -0.988 55.431 56.400 0.032 0.000 0.775 458 E CB 1.796 31.653 29.700 0.262 0.000 1.270 458 E HN 0.351 nan 8.360 nan 0.000 0.445 459 I N 1.838 122.468 120.570 0.099 0.000 2.416 459 I HA 0.123 4.293 4.170 0.001 0.000 0.288 459 I C -0.784 175.561 176.117 0.380 0.000 1.051 459 I CA -0.118 61.285 61.300 0.172 0.000 1.375 459 I CB 0.380 38.478 38.000 0.164 0.000 1.407 459 I HN 0.270 nan 8.210 nan 0.000 0.516 460 W N 5.703 127.022 121.300 0.030 0.000 2.318 460 W HA 0.387 5.047 4.660 0.001 0.000 0.315 460 W C 0.108 176.646 176.519 0.032 0.000 1.033 460 W CA -1.058 56.300 57.345 0.022 0.000 1.275 460 W CB 0.453 29.919 29.460 0.010 0.000 1.250 460 W HN 0.419 nan 8.180 nan 0.000 0.421 461 E N 3.215 123.528 120.200 0.189 0.000 2.344 461 E HA 0.208 4.559 4.350 0.001 0.000 0.270 461 E C 0.081 176.752 176.600 0.118 0.000 1.021 461 E CA 0.067 56.542 56.400 0.126 0.000 0.887 461 E CB 0.674 30.360 29.700 -0.024 0.000 0.997 461 E HN 0.054 nan 8.360 nan 0.000 0.429 462 M N 1.703 121.374 119.600 0.119 0.000 2.456 462 M HA 0.534 5.015 4.480 0.001 0.000 0.324 462 M C -0.611 175.764 176.300 0.126 0.000 1.124 462 M CA -0.966 54.397 55.300 0.106 0.000 0.959 462 M CB 1.615 34.231 32.600 0.026 0.000 1.692 462 M HN 0.481 nan 8.290 nan 0.000 0.444 463 A N 1.673 124.594 122.820 0.168 0.000 2.355 463 A HA 0.583 4.904 4.320 0.001 0.000 0.317 463 A C -0.382 177.353 177.584 0.251 0.000 1.094 463 A CA -0.664 51.476 52.037 0.172 0.000 0.764 463 A CB 1.115 20.175 19.000 0.100 0.000 1.230 463 A HN 0.844 nan 8.150 nan 0.000 0.448 464 E N 1.144 121.496 120.200 0.253 0.000 2.392 464 E HA 0.346 4.697 4.350 0.001 0.000 0.264 464 E C -1.011 175.572 176.600 -0.029 0.000 1.024 464 E CA 0.047 56.474 56.400 0.044 0.000 0.903 464 E CB 0.965 30.660 29.700 -0.008 0.000 0.963 464 E HN 0.455 nan 8.360 nan 0.000 0.432 465 V N 3.647 123.498 119.914 -0.105 0.000 2.715 465 V HA 0.401 4.522 4.120 0.001 0.000 0.310 465 V C -0.875 175.170 176.094 -0.082 0.000 1.054 465 V CA -0.214 62.049 62.300 -0.063 0.000 0.928 465 V CB 1.918 33.719 31.823 -0.038 0.000 1.007 465 V HN 0.832 nan 8.190 nan 0.000 0.437 473 V N 0.425 120.345 119.914 0.011 0.000 3.821 473 V HA -0.204 3.916 4.120 0.001 0.000 0.543 473 V C -2.275 173.831 176.094 0.020 0.000 0.683 473 V CA 0.513 62.821 62.300 0.013 0.000 2.109 473 V CB -0.332 31.496 31.823 0.009 0.000 2.500 473 V HN 0.892 nan 8.190 nan 0.000 0.521 474 P HA 0.530 nan 4.420 nan 0.000 0.266 474 P C -0.797 176.514 177.300 0.019 0.000 1.215 474 P CA 1.176 64.289 63.100 0.022 0.000 0.763 474 P CB 0.599 32.306 31.700 0.013 0.000 0.806 475 A N 2.196 125.034 122.820 0.030 0.000 2.587 475 A HA 0.393 4.713 4.320 0.001 0.000 0.293 475 A C -0.511 177.096 177.584 0.038 0.000 1.087 475 A CA -0.791 51.261 52.037 0.025 0.000 0.692 475 A CB 0.971 19.983 19.000 0.021 0.000 1.291 475 A HN 0.470 nan 8.150 nan 0.000 0.407 476 E N 0.403 120.618 120.200 0.025 0.000 2.558 476 E HA 0.279 4.629 4.350 0.001 0.000 0.255 476 E C 1.244 177.861 176.600 0.028 0.000 0.968 476 E CA 1.453 57.874 56.400 0.034 0.000 0.939 476 E CB 0.057 29.764 29.700 0.011 0.000 0.921 476 E HN 1.925 nan 8.360 nan 0.000 0.477 477 G N 2.922 111.771 108.800 0.080 0.000 2.155 477 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 477 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 477 G C -0.004 174.972 174.900 0.126 0.000 0.983 477 G CA 0.294 45.394 45.100 -0.000 0.000 0.676 477 G HN 0.465 nan 8.290 nan 0.000 0.528 478 V N 1.372 121.393 119.914 0.177 0.000 2.398 478 V HA 0.668 4.788 4.120 0.001 0.000 0.286 478 V C 0.456 176.704 176.094 0.257 0.000 1.026 478 V CA -0.636 61.770 62.300 0.177 0.000 0.868 478 V CB 1.725 33.610 31.823 0.104 0.000 0.982 478 V HN 0.290 nan 8.190 nan 0.000 0.443 479 I N 4.557 125.302 120.570 0.292 0.000 2.466 479 I HA 0.446 4.616 4.170 0.001 0.000 0.289 479 I C -0.313 175.974 176.117 0.284 0.000 1.026 479 I CA -0.510 60.982 61.300 0.320 0.000 1.078 479 I CB 2.150 40.350 38.000 0.334 0.000 1.249 479 I HN 0.572 nan 8.210 nan 0.000 0.429 480 Q N 4.505 124.438 119.800 0.222 0.000 2.256 480 Q HA 0.622 4.963 4.340 0.001 0.000 0.257 480 Q C -1.184 174.939 176.000 0.204 0.000 0.936 480 Q CA -0.681 55.233 55.803 0.184 0.000 0.903 480 Q CB 3.097 31.902 28.738 0.111 0.000 1.263 480 Q HN 0.397 nan 8.270 nan 0.000 0.440 481 V N 2.246 122.302 119.914 0.237 0.000 2.443 481 V HA 0.271 4.391 4.120 0.001 0.000 0.293 481 V C -0.473 175.739 176.094 0.195 0.000 1.021 481 V CA -0.727 61.710 62.300 0.228 0.000 0.848 481 V CB 1.938 33.918 31.823 0.262 0.000 0.998 481 V HN 0.783 nan 8.190 nan 0.000 0.424 482 T N 4.773 119.432 114.554 0.174 0.000 2.723 482 T HA 0.453 4.804 4.350 0.001 0.000 0.297 482 T C 0.820 175.613 174.700 0.156 0.000 0.925 482 T CA 0.177 62.357 62.100 0.133 0.000 1.030 482 T CB 1.131 70.058 68.868 0.099 0.000 0.905 482 T HN 0.871 nan 8.240 nan 0.000 0.502 483 G N 1.674 110.555 108.800 0.135 0.000 2.514 483 G HA2 0.464 4.424 3.960 0.001 0.000 0.245 483 G HA3 0.464 4.424 3.960 0.001 0.000 0.245 483 G C 1.123 176.054 174.900 0.052 0.000 1.488 483 G CA -0.109 45.065 45.100 0.123 0.000 1.063 483 G HN 0.728 nan 8.290 nan 0.000 0.557 484 A N -0.708 122.130 122.820 0.029 0.000 2.178 484 A HA 0.155 4.476 4.320 0.001 0.000 0.211 484 A C 1.578 179.164 177.584 0.003 0.000 1.157 484 A CA 1.565 53.599 52.037 -0.005 0.000 0.780 484 A CB -0.126 18.865 19.000 -0.015 0.000 0.828 484 A HN 0.514 nan 8.150 nan 0.000 0.476 485 D N -1.669 118.741 120.400 0.016 0.000 2.319 485 D HA 0.257 4.898 4.640 0.001 0.000 0.230 485 D C 1.198 177.507 176.300 0.016 0.000 1.094 485 D CA 0.591 54.600 54.000 0.014 0.000 0.856 485 D CB -0.683 40.128 40.800 0.017 0.000 0.915 485 D HN 0.512 nan 8.370 nan 0.000 0.517 486 G N 0.866 109.677 108.800 0.019 0.000 2.196 486 G HA2 -0.415 3.546 3.960 0.001 0.000 0.268 486 G HA3 -0.415 3.546 3.960 0.001 0.000 0.268 486 G C 0.402 175.318 174.900 0.027 0.000 0.975 486 G CA 0.410 45.523 45.100 0.022 0.000 0.648 486 G HN 0.672 nan 8.290 nan 0.000 0.538 487 R N 0.514 121.031 120.500 0.028 0.000 2.490 487 R HA 0.520 4.860 4.340 0.001 0.000 0.278 487 R C -0.353 175.971 176.300 0.040 0.000 1.069 487 R CA 0.225 56.341 56.100 0.027 0.000 1.080 487 R CB 0.482 30.793 30.300 0.019 0.000 1.030 487 R HN 0.091 nan 8.270 nan 0.000 0.491 488 T N 3.781 118.353 114.554 0.030 0.000 2.859 488 T HA 0.402 4.752 4.350 0.001 0.000 0.281 488 T C -0.723 173.978 174.700 0.001 0.000 1.005 488 T CA -0.644 61.479 62.100 0.038 0.000 1.025 488 T CB 1.356 70.245 68.868 0.036 0.000 0.977 488 T HN 0.492 nan 8.240 nan 0.000 0.458 489 K N 1.033 121.429 120.400 -0.007 0.000 2.443 489 K HA 0.664 4.984 4.320 0.001 0.000 0.251 489 K C -0.894 175.527 176.600 -0.299 0.000 0.972 489 K CA -0.888 55.298 56.287 -0.169 0.000 0.833 489 K CB 2.171 34.543 32.500 -0.212 0.000 1.317 489 K HN 0.412 nan 8.250 nan 0.000 0.441 490 T N 1.657 115.914 114.554 -0.495 0.000 2.792 490 T HA 0.486 4.837 4.350 0.001 0.000 0.280 490 T C -1.385 173.016 174.700 -0.497 0.000 0.990 490 T CA -0.552 61.339 62.100 -0.349 0.000 0.960 490 T CB 0.256 69.038 68.868 -0.145 0.000 0.939 490 T HN 0.308 nan 8.240 nan 0.000 0.439 491 Y N 1.313 121.643 120.300 0.051 0.000 2.499 491 Y HA 0.651 5.202 4.550 0.001 0.000 0.347 491 Y C 0.300 176.241 175.900 0.068 0.000 0.987 491 Y CA -1.311 56.821 58.100 0.053 0.000 1.044 491 Y CB 1.842 40.337 38.460 0.058 0.000 1.245 491 Y HN 0.386 nan 8.280 nan 0.000 0.461 492 R N 2.865 123.490 120.500 0.209 0.000 2.599 492 R HA 0.499 4.839 4.340 0.001 0.000 0.295 492 R C -1.021 175.330 176.300 0.084 0.000 0.963 492 R CA -0.957 55.212 56.100 0.114 0.000 0.883 492 R CB 1.655 31.989 30.300 0.057 0.000 1.171 492 R HN 0.912 nan 8.270 nan 0.000 0.450 493 R N 2.321 122.822 120.500 0.002 0.000 2.347 493 R HA 0.068 4.409 4.340 0.001 0.000 0.304 493 R C 0.207 176.433 176.300 -0.124 0.000 1.072 493 R CA 0.532 56.567 56.100 -0.108 0.000 0.980 493 R CB 0.715 30.739 30.300 -0.459 0.000 0.986 493 R HN 0.864 nan 8.270 nan 0.000 0.448 494 T N 0.543 115.053 114.554 -0.074 0.000 2.990 494 T HA 0.367 4.718 4.350 0.001 0.000 0.250 494 T C 0.257 174.897 174.700 -0.099 0.000 1.041 494 T CA 0.188 62.248 62.100 -0.066 0.000 1.010 494 T CB 0.610 69.472 68.868 -0.010 0.000 1.003 494 T HN 0.545 nan 8.240 nan 0.000 0.499 495 A N 1.601 124.347 122.820 -0.124 0.000 2.566 495 A HA 0.718 5.039 4.320 0.001 0.000 0.297 495 A C 0.231 177.740 177.584 -0.126 0.000 1.059 495 A CA -1.007 50.956 52.037 -0.123 0.000 0.691 495 A CB 1.226 20.159 19.000 -0.110 0.000 1.282 495 A HN 0.346 nan 8.150 nan 0.000 0.401 496 R N 0.157 120.593 120.500 -0.107 0.000 2.541 496 R HA 0.434 4.775 4.340 0.001 0.000 0.332 496 R C 0.072 176.428 176.300 0.093 0.000 0.951 496 R CA 0.665 56.749 56.100 -0.026 0.000 1.136 496 R CB 0.922 31.108 30.300 -0.189 0.000 1.449 496 R HN 0.680 nan 8.270 nan 0.000 0.531 497 T N -1.181 113.393 114.554 0.034 0.000 2.802 497 T HA 0.170 4.520 4.350 0.001 0.000 0.311 497 T C -0.417 174.308 174.700 0.042 0.000 1.405 497 T CA -0.764 61.373 62.100 0.062 0.000 1.016 497 T CB 1.045 69.953 68.868 0.066 0.000 1.352 497 T HN 0.113 nan 8.240 nan 0.000 0.498 498 F N 2.897 122.818 119.950 -0.048 0.000 2.085 498 F HA -0.138 4.389 4.527 0.001 0.000 0.299 498 F C 1.584 177.367 175.800 -0.029 0.000 1.096 498 F CA 2.318 60.280 58.000 -0.064 0.000 1.227 498 F CB -0.006 38.943 39.000 -0.084 0.000 0.983 498 F HN 0.662 nan 8.300 nan 0.000 0.482 499 N N -0.110 118.464 118.700 -0.210 0.000 2.314 499 N HA -0.015 4.725 4.740 0.001 0.000 0.200 499 N C -0.677 174.726 175.510 -0.178 0.000 1.135 499 N CA -0.303 52.581 53.050 -0.278 0.000 0.835 499 N CB -0.048 38.386 38.487 -0.089 0.000 0.989 499 N HN 0.185 nan 8.380 nan 0.000 0.478 500 D N 0.399 120.709 120.400 -0.150 0.000 2.368 500 D HA 0.062 4.702 4.640 0.001 0.000 0.240 500 D C 0.938 177.159 176.300 -0.133 0.000 1.169 500 D CA 0.162 54.092 54.000 -0.117 0.000 0.906 500 D CB 0.529 41.268 40.800 -0.101 0.000 1.187 500 D HN 0.123 nan 8.370 nan 0.000 0.435 501 G N 0.701 109.442 108.800 -0.098 0.000 2.349 501 G HA2 0.051 4.011 3.960 0.001 0.000 0.232 501 G HA3 0.051 4.011 3.960 0.001 0.000 0.232 501 G C 0.234 175.080 174.900 -0.091 0.000 1.240 501 G CA -0.346 44.704 45.100 -0.084 0.000 0.870 501 G HN 0.438 nan 8.290 nan 0.000 0.528 502 L N 2.931 124.108 121.223 -0.076 0.000 2.615 502 L HA 0.283 4.624 4.340 0.001 0.000 0.284 502 L C 1.419 178.263 176.870 -0.043 0.000 1.237 502 L CA 1.541 56.349 54.840 -0.054 0.000 0.905 502 L CB 0.611 42.664 42.059 -0.010 0.000 1.149 502 L HN 0.519 nan 8.230 nan 0.000 0.499 503 G N 4.407 113.151 108.800 -0.093 0.000 2.599 503 G HA2 0.028 3.988 3.960 0.001 0.000 0.210 503 G HA3 0.028 3.988 3.960 0.001 0.000 0.210 503 G C -0.002 175.024 174.900 0.209 0.000 1.177 503 G CA -0.209 44.865 45.100 -0.044 0.000 0.835 503 G HN 0.448 nan 8.290 nan 0.000 0.575 504 F N 2.556 122.563 119.950 0.095 0.000 2.390 504 F HA 0.530 5.057 4.527 0.001 0.000 0.361 504 F C 0.103 175.993 175.800 0.150 0.000 1.124 504 F CA -1.318 56.729 58.000 0.079 0.000 1.149 504 F CB 0.604 39.632 39.000 0.046 0.000 1.160 504 F HN -0.242 nan 8.300 nan 0.000 0.501 505 T N 5.270 119.986 114.554 0.270 0.000 2.797 505 T HA 0.733 5.084 4.350 0.001 0.000 0.279 505 T C -0.121 174.657 174.700 0.131 0.000 0.991 505 T CA -0.474 61.745 62.100 0.199 0.000 0.979 505 T CB 1.440 70.389 68.868 0.135 0.000 0.943 505 T HN 0.294 nan 8.240 nan 0.000 0.444 506 I N 1.940 122.589 120.570 0.132 0.000 2.512 506 I HA 0.404 4.575 4.170 0.001 0.000 0.287 506 I C 0.836 177.010 176.117 0.095 0.000 1.069 506 I CA -1.103 60.220 61.300 0.038 0.000 1.056 506 I CB 1.896 39.817 38.000 -0.133 0.000 1.229 506 I HN 0.756 nan 8.210 nan 0.000 0.429 507 G N 4.810 113.656 108.800 0.078 0.000 2.313 507 G HA2 0.026 3.987 3.960 0.001 0.000 0.250 507 G HA3 0.026 3.987 3.960 0.001 0.000 0.250 507 G C 0.092 175.074 174.900 0.137 0.000 1.281 507 G CA -0.151 45.016 45.100 0.112 0.000 0.917 507 G HN 0.673 nan 8.290 nan 0.000 0.501 508 E N 1.409 121.726 120.200 0.195 0.000 2.452 508 E HA 0.206 4.557 4.350 0.001 0.000 0.261 508 E C 1.447 178.112 176.600 0.108 0.000 0.987 508 E CA 1.403 57.902 56.400 0.166 0.000 0.926 508 E CB 0.570 30.384 29.700 0.191 0.000 0.934 508 E HN 1.028 nan 8.360 nan 0.000 0.452 509 G N 3.275 112.108 108.800 0.056 0.000 2.268 509 G HA2 -0.312 3.648 3.960 0.001 0.000 0.240 509 G HA3 -0.312 3.648 3.960 0.001 0.000 0.240 509 G C 0.545 175.442 174.900 -0.004 0.000 1.010 509 G CA 0.659 45.765 45.100 0.010 0.000 0.618 509 G HN 0.828 nan 8.290 nan 0.000 0.516 510 T N -1.001 113.586 114.554 0.054 0.000 2.813 510 T HA 0.548 4.899 4.350 0.001 0.000 0.297 510 T C 0.116 174.847 174.700 0.050 0.000 1.036 510 T CA 0.305 62.457 62.100 0.086 0.000 1.044 510 T CB 1.288 70.215 68.868 0.097 0.000 0.993 510 T HN 0.432 nan 8.240 nan 0.000 0.535 511 H N 0.016 119.155 119.070 0.115 0.000 2.472 511 H HA 0.600 5.157 4.556 0.001 0.000 0.338 511 H C 0.031 175.464 175.328 0.175 0.000 1.133 511 H CA -0.665 55.456 56.048 0.123 0.000 1.216 511 H CB 1.193 30.984 29.762 0.048 0.000 1.497 511 H HN 0.680 nan 8.280 nan 0.000 0.500 512 E N 1.326 121.743 120.200 0.363 0.000 2.317 512 E HA 0.192 4.542 4.350 0.001 0.000 0.270 512 E C -1.005 175.756 176.600 0.268 0.000 0.885 512 E CA -1.022 55.569 56.400 0.319 0.000 0.760 512 E CB 2.973 32.947 29.700 0.457 0.000 1.227 512 E HN 0.473 nan 8.360 nan 0.000 0.434 513 Q N 2.098 121.978 119.800 0.133 0.000 2.290 513 Q HA 0.248 4.589 4.340 0.001 0.000 0.259 513 Q C -1.526 174.652 176.000 0.296 0.000 0.941 513 Q CA -0.692 55.187 55.803 0.128 0.000 0.912 513 Q CB 0.830 29.566 28.738 -0.003 0.000 1.244 513 Q HN 0.371 nan 8.270 nan 0.000 0.441 514 W N 1.983 123.182 121.300 -0.167 0.000 2.551 514 W HA 0.409 5.070 4.660 0.001 0.000 0.330 514 W C -0.485 175.769 176.519 -0.440 0.000 1.063 514 W CA -0.644 56.468 57.345 -0.389 0.000 1.222 514 W CB 2.024 31.129 29.460 -0.591 0.000 1.349 514 W HN 0.402 nan 8.180 nan 0.000 0.536 515 T N 4.010 118.386 114.554 -0.296 0.000 2.786 515 T HA 0.451 4.801 4.350 0.001 0.000 0.283 515 T C -0.953 173.495 174.700 -0.421 0.000 0.992 515 T CA -0.461 61.482 62.100 -0.262 0.000 0.954 515 T CB 0.102 68.888 68.868 -0.137 0.000 0.934 515 T HN -0.038 nan 8.240 nan 0.000 0.440 516 F N 3.339 123.290 119.950 0.002 0.000 2.404 516 F HA 0.466 4.993 4.527 0.001 0.000 0.358 516 F C 0.106 175.881 175.800 -0.043 0.000 1.120 516 F CA -1.066 56.939 58.000 0.009 0.000 1.144 516 F CB 0.822 39.858 39.000 0.061 0.000 1.133 516 F HN 0.262 nan 8.300 nan 0.000 0.495 517 L N 5.402 126.638 121.223 0.021 0.000 2.283 517 L HA 0.420 4.761 4.340 0.001 0.000 0.281 517 L C -0.519 176.286 176.870 -0.108 0.000 1.033 517 L CA -0.430 54.334 54.840 -0.126 0.000 0.848 517 L CB 0.229 42.111 42.059 -0.297 0.000 1.226 517 L HN 0.428 nan 8.230 nan 0.000 0.429 518 N N 4.566 123.243 118.700 -0.039 0.000 2.411 518 N HA 0.182 4.923 4.740 0.001 0.000 0.259 518 N C 0.480 175.930 175.510 -0.100 0.000 1.103 518 N CA -0.011 53.022 53.050 -0.028 0.000 0.954 518 N CB 0.863 39.400 38.487 0.082 0.000 1.085 518 N HN 0.745 nan 8.380 nan 0.000 0.485 519 L N 1.258 122.363 121.223 -0.197 0.000 2.592 519 L HA 0.110 4.451 4.340 0.001 0.000 0.227 519 L C 0.812 177.610 176.870 -0.120 0.000 1.127 519 L CA 0.023 54.722 54.840 -0.235 0.000 0.884 519 L CB -0.352 41.391 42.059 -0.526 0.000 1.065 519 L HN 0.467 nan 8.230 nan 0.000 0.457 520 S N -1.240 114.428 115.700 -0.052 0.000 2.726 520 S HA 0.506 4.976 4.470 0.001 0.000 0.308 520 S C -2.190 172.424 174.600 0.024 0.000 1.115 520 S CA -1.218 56.980 58.200 -0.003 0.000 0.965 520 S CB 1.828 65.044 63.200 0.027 0.000 1.145 520 S HN -0.172 nan 8.310 nan 0.000 0.532 521 P HA 0.235 nan 4.420 nan 0.000 0.255 521 P C 0.308 177.607 177.300 -0.002 0.000 1.248 521 P CA -0.033 63.076 63.100 0.016 0.000 0.807 521 P CB -0.420 31.286 31.700 0.011 0.000 1.150 522 I N -2.168 118.393 120.570 -0.015 0.000 2.325 522 I HA 0.319 4.489 4.170 0.001 0.000 0.291 522 I C -0.222 175.777 176.117 -0.196 0.000 1.019 522 I CA -1.251 59.992 61.300 -0.096 0.000 1.302 522 I CB 1.191 39.127 38.000 -0.107 0.000 1.401 522 I HN -0.270 nan 8.210 nan 0.000 0.485 523 L N 7.636 128.776 121.223 -0.139 0.000 2.418 523 L HA 0.251 4.592 4.340 0.001 0.000 0.274 523 L C -0.415 176.366 176.870 -0.147 0.000 1.135 523 L CA 0.122 54.919 54.840 -0.071 0.000 0.870 523 L CB -0.044 42.012 42.059 -0.004 0.000 1.154 523 L HN 0.655 nan 8.230 nan 0.000 0.462 524 H N 5.748 124.881 119.070 0.104 0.000 2.511 524 H HA 0.339 4.896 4.556 0.001 0.000 0.328 524 H C -2.328 173.058 175.328 0.098 0.000 1.044 524 H CA -2.067 54.055 56.048 0.123 0.000 1.212 524 H CB 1.437 31.266 29.762 0.111 0.000 1.428 524 H HN 0.428 nan 8.280 nan 0.000 0.483 525 P HA 0.112 nan 4.420 nan 0.000 0.284 525 P C -0.066 177.332 177.300 0.163 0.000 1.343 525 P CA -0.414 62.786 63.100 0.167 0.000 0.826 525 P CB 0.474 32.267 31.700 0.155 0.000 0.956 526 M N 3.348 122.987 119.600 0.064 0.000 2.277 526 M HA 0.305 4.786 4.480 0.001 0.000 0.350 526 M C 0.104 176.441 176.300 0.061 0.000 1.180 526 M CA -0.225 55.056 55.300 -0.030 0.000 1.103 526 M CB 0.376 32.643 32.600 -0.555 0.000 1.577 526 M HN 0.459 nan 8.290 nan 0.000 0.459 527 H N 2.259 121.306 119.070 -0.039 0.000 2.679 527 H HA 0.708 5.265 4.556 0.001 0.000 0.360 527 H C -1.811 173.578 175.328 0.102 0.000 1.105 527 H CA -0.595 55.431 56.048 -0.038 0.000 1.196 527 H CB 1.176 30.947 29.762 0.015 0.000 1.636 527 H HN 0.671 nan 8.280 nan 0.000 0.531 528 I N 5.113 125.458 120.570 -0.375 0.000 2.436 528 I HA 0.258 4.428 4.170 0.001 0.000 0.289 528 I C 0.403 176.400 176.117 -0.199 0.000 1.010 528 I CA -0.659 60.544 61.300 -0.162 0.000 1.098 528 I CB 1.554 39.342 38.000 -0.353 0.000 1.266 528 I HN 0.603 nan 8.210 nan 0.000 0.434 529 H N 4.068 123.116 119.070 -0.037 0.000 2.598 529 H HA 0.204 4.761 4.556 0.001 0.000 0.371 529 H C 0.847 176.222 175.328 0.079 0.000 1.468 529 H CA -0.562 55.505 56.048 0.033 0.000 1.454 529 H CB 0.978 30.875 29.762 0.223 0.000 1.579 529 H HN 0.609 nan 8.280 nan 0.000 0.611 530 L N -0.813 120.407 121.223 -0.004 0.000 3.461 530 L HA -0.345 3.996 4.340 0.001 0.000 0.094 530 L C 0.224 176.982 176.870 -0.187 0.000 4.424 530 L CA 2.316 56.993 54.840 -0.271 0.000 0.523 530 L CB -1.646 40.019 42.059 -0.657 0.000 3.542 530 L HN 0.732 nan 8.230 nan 0.000 0.792 531 A N 0.217 122.927 122.820 -0.183 0.000 2.264 531 A HA 0.574 4.894 4.320 0.001 0.000 0.304 531 A C -0.351 177.115 177.584 -0.196 0.000 1.100 531 A CA 0.112 51.897 52.037 -0.419 0.000 0.839 531 A CB 0.171 18.454 19.000 -1.195 0.000 1.121 531 A HN 0.441 nan 8.150 nan 0.000 0.496 532 D N -0.200 120.021 120.400 -0.298 0.000 2.210 532 D HA 0.610 5.250 4.640 0.001 0.000 0.249 532 D C -1.104 174.971 176.300 -0.376 0.000 1.062 532 D CA 0.695 54.656 54.000 -0.065 0.000 0.891 532 D CB 1.038 41.879 40.800 0.069 0.000 1.186 532 D HN 0.271 nan 8.370 nan 0.000 0.432 533 F N 0.248 120.276 119.950 0.130 0.000 2.620 533 F HA 0.351 4.879 4.527 0.001 0.000 0.320 533 F C 0.428 176.342 175.800 0.190 0.000 1.069 533 F CA -0.805 57.265 58.000 0.117 0.000 0.953 533 F CB 1.617 40.733 39.000 0.194 0.000 1.322 533 F HN -0.019 nan 8.300 nan 0.000 0.479 534 Q N 0.639 120.608 119.800 0.281 0.000 2.365 534 Q HA 0.574 4.915 4.340 0.001 0.000 0.269 534 Q C -1.347 174.738 176.000 0.141 0.000 1.061 534 Q CA -1.168 54.760 55.803 0.209 0.000 0.816 534 Q CB 3.000 31.812 28.738 0.123 0.000 1.325 534 Q HN 0.367 nan 8.270 nan 0.000 0.446 535 V N 4.046 124.035 119.914 0.125 0.000 2.479 535 V HA -0.008 4.113 4.120 0.001 0.000 0.281 535 V C 1.050 177.169 176.094 0.042 0.000 1.031 535 V CA 0.524 62.853 62.300 0.049 0.000 1.038 535 V CB 0.236 32.110 31.823 0.085 0.000 0.981 535 V HN 0.783 nan 8.190 nan 0.000 0.478 536 L N 3.847 125.078 121.223 0.013 0.000 2.354 536 L HA 0.468 4.808 4.340 0.001 0.000 0.212 536 L C 1.039 177.912 176.870 0.005 0.000 1.091 536 L CA 0.879 55.724 54.840 0.008 0.000 0.828 536 L CB 0.160 42.212 42.059 -0.012 0.000 0.973 536 L HN 0.863 nan 8.230 nan 0.000 0.461 537 G N 0.057 108.863 108.800 0.011 0.000 2.340 537 G HA2 0.376 4.336 3.960 0.001 0.000 0.298 537 G HA3 0.376 4.336 3.960 0.001 0.000 0.298 537 G C -1.575 173.347 174.900 0.036 0.000 1.498 537 G CA -0.867 44.244 45.100 0.019 0.000 0.847 537 G HN -0.074 nan 8.290 nan 0.000 0.594 538 R N 0.158 120.683 120.500 0.042 0.000 2.750 538 R HA 0.643 4.984 4.340 0.001 0.000 0.281 538 R C -1.619 174.708 176.300 0.046 0.000 0.972 538 R CA -0.958 55.181 56.100 0.064 0.000 0.912 538 R CB 2.590 32.932 30.300 0.069 0.000 1.187 538 R HN 0.511 nan 8.270 nan 0.000 0.464 539 D N 0.887 121.329 120.400 0.070 0.000 2.819 539 D HA 0.341 4.981 4.640 0.001 0.000 0.232 539 D C -0.844 175.455 176.300 -0.001 0.000 1.160 539 D CA -0.525 53.461 54.000 -0.023 0.000 0.858 539 D CB 2.426 43.161 40.800 -0.107 0.000 1.610 539 D HN 0.557 nan 8.370 nan 0.000 0.481 540 A N 1.819 124.589 122.820 -0.083 0.000 2.304 540 A HA 0.598 4.919 4.320 0.001 0.000 0.271 540 A C -1.221 176.241 177.584 -0.203 0.000 1.091 540 A CA -0.037 51.986 52.037 -0.024 0.000 0.812 540 A CB 0.430 19.422 19.000 -0.013 0.000 1.056 540 A HN 0.542 nan 8.150 nan 0.000 0.489 541 Y N -0.716 119.596 120.300 0.020 0.000 2.545 541 Y HA 0.389 4.939 4.550 0.001 0.000 0.348 541 Y C -0.325 175.589 175.900 0.023 0.000 1.002 541 Y CA -0.729 57.383 58.100 0.021 0.000 1.039 541 Y CB 1.959 40.428 38.460 0.016 0.000 1.271 541 Y HN 0.694 nan 8.280 nan 0.000 0.467 542 D N 1.363 121.867 120.400 0.174 0.000 2.313 542 D HA 0.450 5.091 4.640 0.001 0.000 0.239 542 D C -0.250 176.144 176.300 0.156 0.000 1.142 542 D CA 0.012 54.090 54.000 0.130 0.000 0.847 542 D CB 1.515 42.368 40.800 0.088 0.000 1.082 542 D HN 0.670 nan 8.370 nan 0.000 0.480 543 A N 2.799 125.695 122.820 0.126 0.000 2.538 543 A HA 0.114 4.435 4.320 0.001 0.000 0.269 543 A C 1.653 179.319 177.584 0.136 0.000 1.231 543 A CA 0.219 52.325 52.037 0.115 0.000 0.948 543 A CB -0.173 18.859 19.000 0.053 0.000 1.110 543 A HN 0.498 nan 8.150 nan 0.000 0.529 544 S N -0.732 115.036 115.700 0.113 0.000 2.447 544 S HA -0.048 4.423 4.470 0.001 0.000 0.233 544 S C 1.847 176.511 174.600 0.108 0.000 1.006 544 S CA 1.196 59.457 58.200 0.102 0.000 0.957 544 S CB -0.705 62.538 63.200 0.072 0.000 0.773 544 S HN 0.674 nan 8.310 nan 0.000 0.507 545 G N 0.529 109.401 108.800 0.119 0.000 2.498 545 G HA2 -0.046 3.915 3.960 0.001 0.000 0.219 545 G HA3 -0.046 3.915 3.960 0.001 0.000 0.219 545 G C 0.203 175.188 174.900 0.141 0.000 1.119 545 G CA -0.019 45.150 45.100 0.114 0.000 0.766 545 G HN 0.577 nan 8.290 nan 0.000 0.552 546 F N 1.781 121.749 119.950 0.030 0.000 2.445 546 F HA 0.366 4.893 4.527 0.001 0.000 0.359 546 F C -0.352 175.460 175.800 0.020 0.000 1.101 546 F CA -1.348 56.666 58.000 0.023 0.000 1.177 546 F CB 0.987 39.982 39.000 -0.009 0.000 1.110 546 F HN -0.102 nan 8.300 nan 0.000 0.522 547 D N 7.212 127.269 120.400 -0.573 0.000 2.349 547 D HA 0.155 4.795 4.640 0.001 0.000 0.232 547 D C 0.996 176.982 176.300 -0.523 0.000 1.071 547 D CA -0.298 53.490 54.000 -0.353 0.000 0.832 547 D CB 1.149 41.825 40.800 -0.208 0.000 1.086 547 D HN 0.669 nan 8.370 nan 0.000 0.504 548 L N 2.877 123.934 121.223 -0.276 0.000 2.083 548 L HA -0.113 4.227 4.340 0.001 0.000 0.209 548 L C 2.312 179.117 176.870 -0.109 0.000 1.083 548 L CA 1.201 55.941 54.840 -0.167 0.000 0.752 548 L CB -0.577 41.486 42.059 0.006 0.000 0.899 548 L HN 0.402 nan 8.230 nan 0.000 0.433 549 A N 0.079 122.845 122.820 -0.089 0.000 1.968 549 A HA -0.135 4.186 4.320 0.001 0.000 0.217 549 A C 2.215 179.775 177.584 -0.041 0.000 1.169 549 A CA 1.088 53.101 52.037 -0.040 0.000 0.638 549 A CB -0.404 18.579 19.000 -0.028 0.000 0.812 549 A HN 0.317 nan 8.150 nan 0.000 0.446 550 L N -0.633 120.539 121.223 -0.085 0.000 2.131 550 L HA 0.223 4.563 4.340 0.001 0.000 0.206 550 L C 1.533 178.377 176.870 -0.043 0.000 1.087 550 L CA 1.823 56.623 54.840 -0.066 0.000 0.767 550 L CB -0.615 41.389 42.059 -0.092 0.000 0.917 550 L HN 0.745 nan 8.230 nan 0.000 0.441 551 G N -0.911 107.814 108.800 -0.125 0.000 2.256 551 G HA2 0.024 3.984 3.960 0.001 0.000 0.272 551 G HA3 0.024 3.984 3.960 0.001 0.000 0.272 551 G C 0.378 175.355 174.900 0.130 0.000 1.076 551 G CA 0.354 45.485 45.100 0.052 0.000 0.882 551 G HN 0.992 nan 8.290 nan 0.000 0.497 552 G N -1.699 106.968 108.800 -0.221 0.000 2.559 552 G HA2 0.869 4.830 3.960 0.001 0.000 0.291 552 G HA3 0.869 4.830 3.960 0.001 0.000 0.291 552 G C -0.220 174.638 174.900 -0.070 0.000 1.424 552 G CA 0.611 45.751 45.100 0.066 0.000 0.786 552 G HN 1.414 nan 8.290 nan 0.000 0.485 553 T N -1.234 113.420 114.554 0.166 0.000 2.869 553 T HA 0.409 4.760 4.350 0.001 0.000 0.295 553 T C 1.123 175.856 174.700 0.055 0.000 0.987 553 T CA -0.370 61.810 62.100 0.133 0.000 1.109 553 T CB 2.284 71.274 68.868 0.203 0.000 0.932 553 T HN 0.540 nan 8.240 nan 0.000 0.518 554 R N 1.042 121.560 120.500 0.029 0.000 2.064 554 R HA 0.112 4.453 4.340 0.001 0.000 0.221 554 R C 1.144 177.469 176.300 0.042 0.000 1.136 554 R CA 0.950 57.065 56.100 0.024 0.000 0.980 554 R CB -0.128 30.176 30.300 0.006 0.000 0.876 554 R HN 0.870 nan 8.270 nan 0.000 0.437 555 T N -0.407 114.180 114.554 0.055 0.000 2.940 555 T HA 0.460 4.810 4.350 0.001 0.000 0.288 555 T C -2.731 172.024 174.700 0.092 0.000 1.033 555 T CA -2.503 59.636 62.100 0.064 0.000 1.033 555 T CB 2.333 71.234 68.868 0.055 0.000 1.079 555 T HN -0.223 nan 8.240 nan 0.000 0.496 556 P HA 0.206 nan 4.420 nan 0.000 0.269 556 P C -0.357 177.024 177.300 0.134 0.000 1.215 556 P CA -0.526 62.645 63.100 0.118 0.000 0.780 556 P CB 0.339 32.102 31.700 0.104 0.000 0.898 557 V N 4.092 124.098 119.914 0.154 0.000 2.540 557 V HA 0.025 4.146 4.120 0.001 0.000 0.297 557 V C 0.993 177.222 176.094 0.225 0.000 1.024 557 V CA 0.617 63.015 62.300 0.164 0.000 1.105 557 V CB -0.443 31.433 31.823 0.090 0.000 0.938 557 V HN 0.445 nan 8.190 nan 0.000 0.482 558 R N 4.234 124.878 120.500 0.240 0.000 2.437 558 R HA 0.479 4.819 4.340 0.001 0.000 0.310 558 R C -0.570 175.827 176.300 0.161 0.000 0.955 558 R CA -0.886 55.326 56.100 0.186 0.000 0.851 558 R CB 1.289 31.651 30.300 0.104 0.000 1.161 558 R HN 0.750 nan 8.270 nan 0.000 0.446 559 L N 3.777 125.012 121.223 0.019 0.000 2.559 559 L HA 0.006 4.347 4.340 0.001 0.000 0.274 559 L C -0.365 176.374 176.870 -0.219 0.000 1.205 559 L CA 0.494 55.093 54.840 -0.402 0.000 0.907 559 L CB 0.416 42.265 42.059 -0.349 0.000 1.153 559 L HN 0.596 nan 8.230 nan 0.000 0.490 560 D N 7.360 127.611 120.400 -0.247 0.000 2.428 560 D HA 0.222 4.863 4.640 0.001 0.000 0.221 560 D C -1.712 174.521 176.300 -0.111 0.000 1.123 560 D CA -2.151 51.779 54.000 -0.116 0.000 0.869 560 D CB 1.379 42.137 40.800 -0.070 0.000 1.032 560 D HN 0.323 nan 8.370 nan 0.000 0.506 561 P HA 0.035 nan 4.420 nan 0.000 0.236 561 P C 0.203 177.477 177.300 -0.044 0.000 1.177 561 P CA 0.425 63.487 63.100 -0.064 0.000 0.773 561 P CB 0.609 32.281 31.700 -0.046 0.000 0.878 562 D N -0.753 119.626 120.400 -0.035 0.000 2.350 562 D HA 0.018 4.658 4.640 0.001 0.000 0.213 562 D C 0.166 176.453 176.300 -0.021 0.000 1.031 562 D CA 0.768 54.755 54.000 -0.023 0.000 0.861 562 D CB -0.168 40.623 40.800 -0.014 0.000 0.926 562 D HN 0.143 nan 8.370 nan 0.000 0.520 563 T N 3.656 118.193 114.554 -0.029 0.000 3.145 563 T HA 0.294 4.645 4.350 0.001 0.000 0.362 563 T C -2.413 172.271 174.700 -0.026 0.000 1.340 563 T CA -1.432 60.655 62.100 -0.022 0.000 1.069 563 T CB 1.572 70.430 68.868 -0.017 0.000 1.129 563 T HN -0.012 nan 8.240 nan 0.000 0.585 564 P HA 0.284 nan 4.420 nan 0.000 0.271 564 P C -0.753 176.545 177.300 -0.004 0.000 1.216 564 P CA -0.399 62.692 63.100 -0.015 0.000 0.776 564 P CB 0.961 32.656 31.700 -0.010 0.000 0.881 565 V N 5.121 125.035 119.914 0.000 0.000 2.284 565 V HA 0.248 4.368 4.120 0.001 0.000 0.274 565 V C -1.686 174.420 176.094 0.020 0.000 1.023 565 V CA -1.572 60.738 62.300 0.016 0.000 0.808 565 V CB 0.855 32.695 31.823 0.028 0.000 1.035 565 V HN 0.616 nan 8.190 nan 0.000 0.445 566 P HA 0.271 nan 4.420 nan 0.000 0.272 566 P C -0.294 177.026 177.300 0.033 0.000 1.240 566 P CA -0.384 62.729 63.100 0.022 0.000 0.791 566 P CB 1.130 32.841 31.700 0.017 0.000 0.978 567 L N 0.561 121.805 121.223 0.035 0.000 2.426 567 L HA 0.269 4.610 4.340 0.001 0.000 0.271 567 L C 1.195 178.092 176.870 0.046 0.000 1.169 567 L CA -0.757 54.111 54.840 0.047 0.000 0.836 567 L CB -0.045 42.042 42.059 0.047 0.000 1.112 567 L HN 0.459 nan 8.230 nan 0.000 0.465 568 A N 4.966 127.823 122.820 0.061 0.000 2.531 568 A HA 0.175 4.496 4.320 0.001 0.000 0.236 568 A C -1.320 176.293 177.584 0.048 0.000 1.062 568 A CA -0.834 51.239 52.037 0.060 0.000 0.760 568 A CB -0.238 18.815 19.000 0.088 0.000 0.995 568 A HN 0.668 nan 8.150 nan 0.000 0.501 569 P HA -0.103 nan 4.420 nan 0.000 0.223 569 P C 0.472 177.785 177.300 0.021 0.000 1.151 569 P CA 1.157 64.267 63.100 0.017 0.000 0.787 569 P CB -0.087 31.613 31.700 -0.000 0.000 0.788 570 N N 0.209 118.938 118.700 0.049 0.000 2.314 570 N HA -0.068 4.673 4.740 0.001 0.000 0.200 570 N C 0.640 176.190 175.510 0.066 0.000 1.135 570 N CA 0.038 53.126 53.050 0.064 0.000 0.835 570 N CB -0.799 37.762 38.487 0.124 0.000 0.989 570 N HN 0.333 nan 8.380 nan 0.000 0.478 571 E N 0.178 120.419 120.200 0.068 0.000 2.609 571 E HA 0.165 4.515 4.350 0.001 0.000 0.208 571 E C 0.079 176.727 176.600 0.079 0.000 1.013 571 E CA -0.315 56.139 56.400 0.091 0.000 1.093 571 E CB -0.272 29.509 29.700 0.134 0.000 1.129 571 E HN 0.239 nan 8.360 nan 0.000 0.450 572 L N 0.129 121.367 121.223 0.024 0.000 2.728 572 L HA 0.426 4.767 4.340 0.001 0.000 0.238 572 L C 1.061 177.897 176.870 -0.056 0.000 1.143 572 L CA -0.197 54.648 54.840 0.008 0.000 0.937 572 L CB 0.585 42.627 42.059 -0.028 0.000 1.225 572 L HN 0.276 nan 8.230 nan 0.000 0.507 573 G N -1.320 107.436 108.800 -0.073 0.000 3.019 573 G HA2 0.277 4.237 3.960 0.001 0.000 0.152 573 G HA3 0.277 4.237 3.960 0.001 0.000 0.152 573 G C -1.021 173.896 174.900 0.030 0.000 1.320 573 G CA -0.492 44.512 45.100 -0.160 0.000 1.013 573 G HN 0.203 nan 8.290 nan 0.000 0.593 574 H N 0.570 119.799 119.070 0.264 0.000 2.604 574 H HA 0.502 5.058 4.556 0.001 0.000 0.306 574 H C -0.116 175.340 175.328 0.213 0.000 1.075 574 H CA -0.123 56.084 56.048 0.266 0.000 1.357 574 H CB 1.244 31.162 29.762 0.259 0.000 1.426 574 H HN 0.013 nan 8.280 nan 0.000 0.470 575 K N 2.091 122.714 120.400 0.372 0.000 2.435 575 K HA 0.149 4.470 4.320 0.001 0.000 0.251 575 K C -0.359 176.356 176.600 0.191 0.000 0.954 575 K CA -0.706 55.724 56.287 0.238 0.000 0.820 575 K CB 2.298 34.967 32.500 0.282 0.000 1.292 575 K HN 0.794 nan 8.250 nan 0.000 0.436 576 D N -1.616 118.721 120.400 -0.105 0.000 2.525 576 D HA 0.114 4.755 4.640 0.001 0.000 0.231 576 D C -0.361 175.676 176.300 -0.437 0.000 1.216 576 D CA -0.046 53.888 54.000 -0.109 0.000 0.813 576 D CB 0.607 41.542 40.800 0.225 0.000 1.108 576 D HN 0.052 nan 8.370 nan 0.000 0.524 577 V N 1.012 120.472 119.914 -0.758 0.000 2.623 577 V HA 0.540 4.660 4.120 0.001 0.000 0.304 577 V C -1.524 174.152 176.094 -0.696 0.000 1.054 577 V CA -0.749 61.209 62.300 -0.570 0.000 0.882 577 V CB 1.545 33.249 31.823 -0.198 0.000 1.002 577 V HN 0.017 nan 8.190 nan 0.000 0.424 578 F N 1.827 121.801 119.950 0.039 0.000 2.518 578 F HA 0.513 5.041 4.527 0.001 0.000 0.323 578 F C 0.381 176.198 175.800 0.028 0.000 1.129 578 F CA -0.826 57.191 58.000 0.028 0.000 0.920 578 F CB 1.694 40.694 39.000 0.000 0.000 1.160 578 F HN 0.386 nan 8.300 nan 0.000 0.440 579 Q N 2.161 122.093 119.800 0.220 0.000 2.255 579 Q HA 0.314 4.655 4.340 0.001 0.000 0.280 579 Q C -0.678 175.421 176.000 0.164 0.000 1.068 579 Q CA -0.050 55.853 55.803 0.166 0.000 0.911 579 Q CB 1.206 30.029 28.738 0.142 0.000 1.157 579 Q HN 0.480 nan 8.270 nan 0.000 0.380 580 V N 5.921 125.922 119.914 0.145 0.000 2.250 580 V HA 0.253 4.374 4.120 0.001 0.000 0.268 580 V C -2.172 174.003 176.094 0.135 0.000 1.043 580 V CA -1.843 60.542 62.300 0.143 0.000 0.814 580 V CB 0.502 32.406 31.823 0.134 0.000 1.072 580 V HN 0.656 nan 8.190 nan 0.000 0.451 581 P HA 0.436 nan 4.420 nan 0.000 0.275 581 P C 0.691 178.041 177.300 0.083 0.000 1.266 581 P CA 0.815 63.963 63.100 0.081 0.000 0.793 581 P CB 0.707 32.448 31.700 0.069 0.000 1.074 582 G N -0.073 108.762 108.800 0.058 0.000 2.806 582 G HA2 -0.128 3.833 3.960 0.001 0.000 0.236 582 G HA3 -0.128 3.833 3.960 0.001 0.000 0.236 582 G C -2.672 172.266 174.900 0.063 0.000 1.387 582 G CA -0.754 44.379 45.100 0.054 0.000 0.884 582 G HN 0.566 nan 8.290 nan 0.000 0.560 583 P HA 0.279 nan 4.420 nan 0.000 0.280 583 P C -0.280 177.108 177.300 0.147 0.000 1.300 583 P CA 0.596 63.745 63.100 0.082 0.000 0.785 583 P CB 1.218 32.968 31.700 0.084 0.000 0.874 584 Q N 2.174 122.069 119.800 0.159 0.000 2.594 584 Q HA 0.567 4.907 4.340 0.001 0.000 0.278 584 Q C -1.560 174.561 176.000 0.202 0.000 0.961 584 Q CA -0.758 55.191 55.803 0.243 0.000 0.844 584 Q CB 2.003 30.837 28.738 0.159 0.000 1.475 584 Q HN 0.487 nan 8.270 nan 0.000 0.389 585 G N 1.340 110.334 108.800 0.324 0.000 2.495 585 G HA2 0.650 4.611 3.960 0.001 0.000 0.318 585 G HA3 0.650 4.611 3.960 0.001 0.000 0.318 585 G C -1.885 173.129 174.900 0.191 0.000 1.257 585 G CA -0.431 44.800 45.100 0.219 0.000 0.962 585 G HN 0.437 nan 8.290 nan 0.000 0.483 586 L N 1.040 122.357 121.223 0.157 0.000 2.410 586 L HA 0.758 5.098 4.340 0.001 0.000 0.270 586 L C -0.386 176.532 176.870 0.079 0.000 0.983 586 L CA -0.793 54.123 54.840 0.127 0.000 0.822 586 L CB 1.882 44.034 42.059 0.155 0.000 1.285 586 L HN 0.522 nan 8.230 nan 0.000 0.409 587 R N 4.161 124.678 120.500 0.028 0.000 2.343 587 R HA 0.771 5.111 4.340 0.001 0.000 0.320 587 R C -1.092 175.177 176.300 -0.051 0.000 0.956 587 R CA -0.707 55.388 56.100 -0.008 0.000 0.836 587 R CB 1.933 32.237 30.300 0.007 0.000 1.151 587 R HN 0.619 nan 8.270 nan 0.000 0.450 588 V N 0.189 120.051 119.914 -0.087 0.000 3.001 588 V HA 0.729 4.849 4.120 0.001 0.000 0.314 588 V C -0.519 175.603 176.094 0.047 0.000 1.099 588 V CA -1.082 61.156 62.300 -0.103 0.000 0.989 588 V CB 2.273 33.850 31.823 -0.411 0.000 1.040 588 V HN 0.781 nan 8.190 nan 0.000 0.434 589 M N 1.829 121.514 119.600 0.142 0.000 2.446 589 M HA 0.864 5.344 4.480 0.001 0.000 0.294 589 M C -0.450 175.906 176.300 0.094 0.000 1.158 589 M CA -0.060 55.317 55.300 0.129 0.000 0.899 589 M CB 2.228 34.822 32.600 -0.011 0.000 1.687 589 M HN 1.295 nan 8.290 nan 0.000 0.455 590 G N 2.403 111.124 108.800 -0.131 0.000 2.677 590 G HA2 0.426 4.387 3.960 0.001 0.000 0.291 590 G HA3 0.426 4.387 3.960 0.001 0.000 0.291 590 G C -2.327 172.233 174.900 -0.565 0.000 1.435 590 G CA -0.664 43.970 45.100 -0.776 0.000 0.826 590 G HN 0.645 nan 8.290 nan 0.000 0.491 591 K N 0.688 120.645 120.400 -0.738 0.000 2.339 591 K HA 0.457 4.778 4.320 0.001 0.000 0.264 591 K C -1.134 175.119 176.600 -0.578 0.000 0.986 591 K CA -0.643 55.230 56.287 -0.690 0.000 0.866 591 K CB 0.827 32.891 32.500 -0.728 0.000 1.103 591 K HN 0.291 nan 8.250 nan 0.000 0.441 592 F N 3.158 122.916 119.950 -0.320 0.000 2.423 592 F HA 0.147 4.675 4.527 0.001 0.000 0.356 592 F C 0.274 175.980 175.800 -0.156 0.000 1.170 592 F CA -0.360 57.526 58.000 -0.188 0.000 1.163 592 F CB 0.625 39.598 39.000 -0.044 0.000 1.318 592 F HN 0.388 nan 8.300 nan 0.000 0.569 593 D N 1.504 121.850 120.400 -0.090 0.000 2.593 593 D HA 0.458 5.099 4.640 0.001 0.000 0.251 593 D C 0.511 176.741 176.300 -0.117 0.000 1.140 593 D CA 0.004 53.932 54.000 -0.120 0.000 0.855 593 D CB 1.721 42.418 40.800 -0.171 0.000 1.267 593 D HN 0.635 nan 8.370 nan 0.000 0.532 594 G N 1.756 110.470 108.800 -0.144 0.000 2.136 594 G HA2 0.192 4.153 3.960 0.001 0.000 0.242 594 G HA3 0.192 4.153 3.960 0.001 0.000 0.242 594 G C 0.258 175.057 174.900 -0.168 0.000 0.989 594 G CA 0.363 45.382 45.100 -0.134 0.000 0.682 594 G HN 1.007 nan 8.290 nan 0.000 0.522 595 A N -1.597 121.052 122.820 -0.286 0.000 2.586 595 A HA 0.877 5.198 4.320 0.001 0.000 0.290 595 A C -1.169 176.225 177.584 -0.317 0.000 1.086 595 A CA -0.705 51.203 52.037 -0.215 0.000 0.665 595 A CB 0.980 20.029 19.000 0.081 0.000 1.279 595 A HN 1.077 nan 8.150 nan 0.000 0.423 596 Y N -0.670 119.812 120.300 0.304 0.000 2.634 596 Y HA 0.815 5.365 4.550 0.001 0.000 0.340 596 Y C 0.892 176.947 175.900 0.258 0.000 1.058 596 Y CA 0.156 58.435 58.100 0.299 0.000 1.081 596 Y CB 2.120 40.670 38.460 0.150 0.000 1.295 596 Y HN 2.014 nan 8.280 nan 0.000 0.487 597 G N 0.690 109.675 108.800 0.307 0.000 2.280 597 G HA2 0.004 3.965 3.960 0.001 0.000 0.277 597 G HA3 0.004 3.965 3.960 0.001 0.000 0.277 597 G C -1.692 172.996 174.900 -0.353 0.000 1.288 597 G CA -1.270 43.755 45.100 -0.125 0.000 1.075 597 G HN 0.642 nan 8.290 nan 0.000 0.480 598 R N -0.247 119.880 120.500 -0.623 0.000 2.265 598 R HA 0.718 5.059 4.340 0.001 0.000 0.319 598 R C -0.804 175.034 176.300 -0.770 0.000 1.006 598 R CA -0.278 55.492 56.100 -0.551 0.000 0.880 598 R CB 0.274 30.227 30.300 -0.579 0.000 1.077 598 R HN 0.333 nan 8.270 nan 0.000 0.454 599 F N 2.165 121.919 119.950 -0.327 0.000 2.679 599 F HA 0.552 5.080 4.527 0.001 0.000 0.341 599 F C 0.022 175.618 175.800 -0.340 0.000 1.095 599 F CA -1.092 56.642 58.000 -0.443 0.000 1.004 599 F CB 1.272 39.721 39.000 -0.918 0.000 1.388 599 F HN 0.109 nan 8.300 nan 0.000 0.505 600 M N 1.184 120.649 119.600 -0.225 0.000 2.598 600 M HA 0.392 4.873 4.480 0.001 0.000 0.317 600 M C -1.159 175.355 176.300 0.356 0.000 1.179 600 M CA -0.784 54.450 55.300 -0.109 0.000 0.936 600 M CB 1.745 34.017 32.600 -0.548 0.000 1.713 600 M HN 0.681 nan 8.290 nan 0.000 0.460 601 Y N -0.257 120.333 120.300 0.484 0.000 2.512 601 Y HA 0.821 5.372 4.550 0.001 0.000 0.348 601 Y C -0.916 175.224 175.900 0.400 0.000 0.990 601 Y CA -0.924 57.423 58.100 0.412 0.000 1.033 601 Y CB 1.408 40.215 38.460 0.579 0.000 1.259 601 Y HN 0.896 nan 8.280 nan 0.000 0.461 602 H N -0.015 119.256 119.070 0.335 0.000 2.887 602 H HA 0.456 5.013 4.556 0.001 0.000 0.290 602 H C -1.640 173.833 175.328 0.241 0.000 1.429 602 H CA -1.543 54.609 56.048 0.173 0.000 1.137 602 H CB 0.629 30.430 29.762 0.065 0.000 1.824 602 H HN 1.072 nan 8.280 nan 0.000 0.520 603 C N 1.336 120.844 119.300 0.347 0.000 2.536 603 C HA 0.213 4.674 4.460 0.001 0.000 0.396 603 C C 1.048 176.313 174.990 0.459 0.000 1.279 603 C CA -0.177 59.037 59.018 0.327 0.000 2.148 603 C CB -0.577 27.356 27.740 0.321 0.000 2.584 603 C HN 0.976 nan 8.230 nan 0.000 0.579 604 H N 4.428 123.684 119.070 0.310 0.000 2.567 604 H HA 0.281 4.838 4.556 0.001 0.000 0.294 604 H C -0.081 175.344 175.328 0.162 0.000 1.050 604 H CA 0.278 56.504 56.048 0.296 0.000 1.168 604 H CB -0.014 29.895 29.762 0.244 0.000 1.422 604 H HN 0.579 nan 8.280 nan 0.000 0.562 605 L N 2.117 123.462 121.223 0.204 0.000 2.295 605 L HA 0.087 4.428 4.340 0.001 0.000 0.288 605 L C 1.519 178.349 176.870 -0.066 0.000 1.079 605 L CA -0.266 54.594 54.840 0.033 0.000 0.830 605 L CB 1.337 43.357 42.059 -0.065 0.000 1.200 605 L HN 0.163 nan 8.230 nan 0.000 0.438 606 L N 1.775 122.927 121.223 -0.117 0.000 2.127 606 L HA -0.206 4.134 4.340 0.001 0.000 0.211 606 L C 1.934 178.670 176.870 -0.223 0.000 1.089 606 L CA 1.154 55.871 54.840 -0.205 0.000 0.757 606 L CB -0.191 41.732 42.059 -0.226 0.000 0.899 606 L HN 0.664 nan 8.230 nan 0.000 0.434 607 E N -0.725 119.350 120.200 -0.208 0.000 2.150 607 E HA -0.164 4.186 4.350 0.001 0.000 0.193 607 E C 1.987 178.570 176.600 -0.028 0.000 0.985 607 E CA 1.105 57.407 56.400 -0.164 0.000 0.814 607 E CB -0.229 29.395 29.700 -0.127 0.000 0.752 607 E HN 0.586 nan 8.360 nan 0.000 0.466 608 H N -0.617 118.443 119.070 -0.018 0.000 2.403 608 H HA 0.046 4.602 4.556 0.001 0.000 0.298 608 H C 2.004 177.302 175.328 -0.049 0.000 1.059 608 H CA 0.851 56.912 56.048 0.023 0.000 1.363 608 H CB 0.267 30.104 29.762 0.125 0.000 1.410 608 H HN 0.161 nan 8.280 nan 0.000 0.528 609 E N 1.042 121.255 120.200 0.022 0.000 2.077 609 E HA -0.194 4.157 4.350 0.001 0.000 0.193 609 E C 1.040 177.502 176.600 -0.230 0.000 0.989 609 E CA 1.264 57.580 56.400 -0.140 0.000 0.800 609 E CB 0.118 29.643 29.700 -0.290 0.000 0.746 609 E HN 0.377 nan 8.360 nan 0.000 0.452 610 D N -0.363 119.895 120.400 -0.236 0.000 2.371 610 D HA -0.052 4.589 4.640 0.001 0.000 0.221 610 D C 0.698 176.888 176.300 -0.184 0.000 0.986 610 D CA 0.770 54.618 54.000 -0.253 0.000 0.899 610 D CB 0.165 40.766 40.800 -0.331 0.000 0.902 610 D HN 0.299 nan 8.370 nan 0.000 0.530 611 M N -1.115 118.402 119.600 -0.140 0.000 2.869 611 M HA 0.274 4.755 4.480 0.001 0.000 0.353 611 M C 0.848 177.075 176.300 -0.123 0.000 1.224 611 M CA -0.188 55.014 55.300 -0.162 0.000 0.917 611 M CB 1.227 33.694 32.600 -0.223 0.000 1.322 611 M HN 0.010 nan 8.290 nan 0.000 0.516 612 G N 1.523 110.273 108.800 -0.082 0.000 2.199 612 G HA2 -0.299 3.661 3.960 0.001 0.000 0.254 612 G HA3 -0.299 3.661 3.960 0.001 0.000 0.254 612 G C 0.363 175.282 174.900 0.031 0.000 0.982 612 G CA 0.110 45.211 45.100 0.001 0.000 0.632 612 G HN 0.554 nan 8.290 nan 0.000 0.529 613 M N 0.849 120.455 119.600 0.010 0.000 3.705 613 M HA 0.675 5.155 4.480 0.001 0.000 0.191 613 M C 0.214 176.541 176.300 0.045 0.000 1.570 613 M CA 0.457 55.780 55.300 0.038 0.000 1.714 613 M CB -0.405 32.225 32.600 0.049 0.000 1.148 613 M HN 0.436 nan 8.290 nan 0.000 0.547 614 M N 1.211 120.828 119.600 0.029 0.000 2.471 614 M HA 0.539 5.020 4.480 0.001 0.000 0.284 614 M C -1.896 174.448 176.300 0.072 0.000 1.203 614 M CA -0.663 54.644 55.300 0.013 0.000 0.915 614 M CB 1.680 34.180 32.600 -0.165 0.000 1.734 614 M HN 0.193 nan 8.290 nan 0.000 0.485 615 R N 2.808 123.235 120.500 -0.122 0.000 2.698 615 R HA 0.671 5.011 4.340 0.001 0.000 0.275 615 R C -2.986 173.355 176.300 0.069 0.000 1.001 615 R CA -1.575 54.430 56.100 -0.157 0.000 0.896 615 R CB 2.252 32.188 30.300 -0.607 0.000 1.218 615 R HN 0.438 nan 8.270 nan 0.000 0.462 616 P HA 0.393 nan 4.420 nan 0.000 0.276 616 P C -0.946 176.634 177.300 0.467 0.000 1.244 616 P CA -0.240 63.047 63.100 0.311 0.000 0.801 616 P CB 0.532 32.347 31.700 0.192 0.000 1.006 617 F N -1.068 119.131 119.950 0.415 0.000 2.626 617 F HA 0.720 5.247 4.527 0.001 0.000 0.311 617 F C -1.720 174.306 175.800 0.377 0.000 1.088 617 F CA -1.487 56.771 58.000 0.430 0.000 0.949 617 F CB 0.920 40.308 39.000 0.646 0.000 1.322 617 F HN 0.003 nan 8.300 nan 0.000 0.461 618 V N 2.681 122.852 119.914 0.428 0.000 2.495 618 V HA 0.644 4.765 4.120 0.001 0.000 0.298 618 V C -0.780 175.542 176.094 0.380 0.000 1.031 618 V CA -0.829 61.633 62.300 0.269 0.000 0.871 618 V CB 1.716 33.626 31.823 0.145 0.000 0.988 618 V HN 0.773 nan 8.190 nan 0.000 0.432 619 V N 6.296 126.462 119.914 0.420 0.000 2.448 619 V HA 0.608 4.729 4.120 0.001 0.000 0.295 619 V C -0.096 176.237 176.094 0.399 0.000 1.025 619 V CA -0.295 62.258 62.300 0.421 0.000 0.859 619 V CB 1.545 33.679 31.823 0.518 0.000 0.988 619 V HN 0.850 nan 8.190 nan 0.000 0.431 620 M N 5.255 125.060 119.600 0.342 0.000 2.631 620 M HA 0.534 5.015 4.480 0.001 0.000 0.288 620 M C -2.872 173.618 176.300 0.317 0.000 1.260 620 M CA -1.924 53.557 55.300 0.302 0.000 0.842 620 M CB 3.207 35.895 32.600 0.146 0.000 1.743 620 M HN 0.297 nan 8.290 nan 0.000 0.461 621 P HA 0.101 nan 4.420 nan 0.000 0.268 621 P C -2.204 175.180 177.300 0.140 0.000 1.205 621 P CA -0.807 62.409 63.100 0.193 0.000 0.771 621 P CB -0.058 31.644 31.700 0.004 0.000 0.858 622 P HA -0.227 nan 4.420 nan 0.000 0.217 622 P C 0.987 178.321 177.300 0.057 0.000 1.151 622 P CA 1.654 64.805 63.100 0.085 0.000 0.849 622 P CB -0.047 31.698 31.700 0.074 0.000 0.787 623 E N -0.650 119.591 120.200 0.067 0.000 2.204 623 E HA -0.079 4.272 4.350 0.001 0.000 0.194 623 E C 2.077 178.750 176.600 0.122 0.000 0.989 623 E CA 1.376 57.815 56.400 0.066 0.000 0.824 623 E CB -0.978 28.773 29.700 0.084 0.000 0.756 623 E HN 0.223 nan 8.360 nan 0.000 0.477 624 A N 0.230 123.134 122.820 0.140 0.000 1.975 624 A HA -0.000 4.320 4.320 0.001 0.000 0.215 624 A C 2.004 179.701 177.584 0.189 0.000 1.170 624 A CA 0.359 52.532 52.037 0.227 0.000 0.656 624 A CB -0.403 18.658 19.000 0.101 0.000 0.821 624 A HN 0.212 nan 8.150 nan 0.000 0.449 625 L N 0.316 121.594 121.223 0.092 0.000 2.081 625 L HA -0.213 4.127 4.340 0.001 0.000 0.212 625 L C 2.215 179.069 176.870 -0.027 0.000 1.080 625 L CA 1.808 56.678 54.840 0.050 0.000 0.754 625 L CB -0.346 41.739 42.059 0.042 0.000 0.893 625 L HN 0.262 nan 8.230 nan 0.000 0.433 626 K N -0.976 119.338 120.400 -0.143 0.000 2.293 626 K HA -0.189 4.131 4.320 0.001 0.000 0.204 626 K C 1.206 177.489 176.600 -0.528 0.000 1.045 626 K CA 1.437 57.486 56.287 -0.397 0.000 0.933 626 K CB -0.356 31.761 32.500 -0.639 0.000 0.736 626 K HN 0.356 nan 8.250 nan 0.000 0.463 627 F N 0.794 120.746 119.950 0.003 0.000 2.684 627 F HA 0.179 4.706 4.527 0.001 0.000 0.298 627 F C -0.359 175.440 175.800 -0.000 0.000 1.120 627 F CA -0.586 57.413 58.000 -0.001 0.000 1.332 627 F CB 0.261 39.256 39.000 -0.008 0.000 0.986 627 F HN -0.118 nan 8.300 nan 0.000 0.524 628 D N 0.000 120.458 120.400 0.097 0.000 6.856 628 D HA 0.000 4.641 4.640 0.001 0.000 0.175 628 D CA 0.000 54.041 54.000 0.069 0.000 0.868 628 D CB 0.000 40.841 40.800 0.068 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683