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_L 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 0.000 177.608 177.584 0.039 0.000 1.274 37 A CA 0.000 52.059 52.037 0.037 0.000 0.836 37 A CB 0.000 19.029 19.000 0.048 0.000 0.831 38 P HA 0.317 nan 4.420 nan 0.000 0.261 38 P C 1.100 178.421 177.300 0.036 0.000 1.173 38 P CA 1.993 65.110 63.100 0.028 0.000 0.760 38 P CB 0.475 32.189 31.700 0.023 0.000 0.783 39 G N 1.773 110.591 108.800 0.030 0.000 2.175 39 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 39 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 39 G C -0.074 174.850 174.900 0.041 0.000 0.982 39 G CA -0.251 44.868 45.100 0.033 0.000 0.641 39 G HN 0.594 nan 8.290 nan 0.000 0.527 40 E N 0.078 120.302 120.200 0.041 0.000 2.204 40 E HA 0.580 4.929 4.350 -0.000 0.000 0.276 40 E C 0.651 177.239 176.600 -0.020 0.000 0.974 40 E CA -0.831 55.593 56.400 0.040 0.000 0.815 40 E CB 1.321 31.061 29.700 0.066 0.000 1.119 40 E HN 0.339 nan 8.360 nan 0.000 0.393 41 L N 1.607 122.781 121.223 -0.082 0.000 2.439 41 L HA 0.161 4.501 4.340 -0.000 0.000 0.269 41 L C 0.469 177.329 176.870 -0.016 0.000 1.179 41 L CA -0.132 54.577 54.840 -0.218 0.000 0.828 41 L CB 0.133 41.762 42.059 -0.716 0.000 1.106 41 L HN 0.425 nan 8.230 nan 0.000 0.467 42 T N 2.969 117.570 114.554 0.079 0.000 2.749 42 T HA 0.274 4.624 4.350 -0.000 0.000 0.295 42 T C -2.274 172.541 174.700 0.191 0.000 0.936 42 T CA -1.093 61.078 62.100 0.117 0.000 1.060 42 T CB 0.883 69.828 68.868 0.128 0.000 0.904 42 T HN 0.344 nan 8.240 nan 0.000 0.500 43 P HA 0.178 nan 4.420 nan 0.000 0.267 43 P C -0.015 177.087 177.300 -0.331 0.000 1.200 43 P CA -0.169 62.623 63.100 -0.513 0.000 0.772 43 P CB -0.137 30.686 31.700 -1.461 0.000 0.855 44 F N -1.119 119.012 119.950 0.301 0.000 3.058 44 F HA -0.239 4.287 4.527 -0.000 0.000 0.295 44 F C 1.192 177.153 175.800 0.268 0.000 0.875 44 F CA 0.126 58.279 58.000 0.255 0.000 1.150 44 F CB -2.287 36.790 39.000 0.129 0.000 1.175 44 F HN 0.365 nan 8.300 nan 0.000 0.599 45 A N -0.545 122.448 122.820 0.289 0.000 2.147 45 A HA 0.687 5.007 4.320 -0.000 0.000 0.211 45 A C 1.148 178.830 177.584 0.163 0.000 1.160 45 A CA 0.907 53.036 52.037 0.153 0.000 0.781 45 A CB 0.198 19.180 19.000 -0.030 0.000 0.842 45 A HN 0.883 nan 8.150 nan 0.000 0.475 46 A N 0.260 123.140 122.820 0.100 0.000 2.401 46 A HA 0.732 5.051 4.320 -0.000 0.000 0.310 46 A C -3.108 174.213 177.584 -0.439 0.000 1.075 46 A CA -1.997 50.000 52.037 -0.068 0.000 0.746 46 A CB 1.164 20.074 19.000 -0.150 0.000 1.277 46 A HN 0.057 nan 8.150 nan 0.000 0.425 47 P HA 0.301 nan 4.420 nan 0.000 0.274 47 P C -0.314 176.702 177.300 -0.473 0.000 1.231 47 P CA -0.342 62.178 63.100 -0.967 0.000 0.790 47 P CB 0.611 31.987 31.700 -0.539 0.000 0.951 48 L N 2.546 123.526 121.223 -0.404 0.000 2.485 48 L HA 0.236 4.576 4.340 -0.000 0.000 0.275 48 L C 0.410 177.200 176.870 -0.133 0.000 1.207 48 L CA 0.945 55.666 54.840 -0.199 0.000 0.855 48 L CB -0.101 41.864 42.059 -0.157 0.000 1.114 48 L HN 0.565 nan 8.230 nan 0.000 0.485 49 T N 2.536 117.044 114.554 -0.077 0.000 2.950 49 T HA 0.770 5.120 4.350 -0.000 0.000 0.288 49 T C -0.265 174.431 174.700 -0.007 0.000 1.035 49 T CA -0.274 61.804 62.100 -0.037 0.000 1.028 49 T CB 1.599 70.451 68.868 -0.027 0.000 1.109 49 T HN 0.821 nan 8.240 nan 0.000 0.514 50 V N -1.609 118.313 119.914 0.012 0.000 2.769 50 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 50 V C -2.961 173.154 176.094 0.034 0.000 1.061 50 V CA -2.656 59.662 62.300 0.031 0.000 0.931 50 V CB 0.706 32.556 31.823 0.045 0.000 1.010 50 V HN 0.810 nan 8.190 nan 0.000 0.433 51 P HA 0.326 nan 4.420 nan 0.000 0.269 51 P C -2.627 174.706 177.300 0.055 0.000 1.215 51 P CA -0.799 62.332 63.100 0.052 0.000 0.780 51 P CB -0.228 31.512 31.700 0.067 0.000 0.898 52 P HA 0.026 nan 4.420 nan 0.000 0.271 52 P C -0.695 176.637 177.300 0.054 0.000 1.218 52 P CA 0.108 63.237 63.100 0.049 0.000 0.780 52 P CB 0.464 32.192 31.700 0.047 0.000 0.901 53 V N 3.588 123.525 119.914 0.038 0.000 2.546 53 V HA 0.162 4.282 4.120 -0.000 0.000 0.284 53 V C 0.482 176.586 176.094 0.016 0.000 1.050 53 V CA -0.235 62.083 62.300 0.029 0.000 0.981 53 V CB 0.864 32.696 31.823 0.015 0.000 0.990 53 V HN 0.415 nan 8.190 nan 0.000 0.474 54 L N 6.660 127.887 121.223 0.007 0.000 2.349 54 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 54 L C -0.194 176.647 176.870 -0.048 0.000 0.996 54 L CA -0.316 54.515 54.840 -0.015 0.000 0.825 54 L CB 1.551 43.604 42.059 -0.010 0.000 1.243 54 L HN 0.565 nan 8.230 nan 0.000 0.412 55 R N 6.522 126.994 120.500 -0.047 0.000 2.287 55 R HA 0.391 4.731 4.340 -0.000 0.000 0.316 55 R C -1.705 174.562 176.300 -0.055 0.000 1.050 55 R CA -1.316 54.748 56.100 -0.060 0.000 0.983 55 R CB 0.875 31.148 30.300 -0.046 0.000 1.140 55 R HN 0.580 nan 8.270 nan 0.000 0.528 56 P HA -0.028 nan 4.420 nan 0.000 0.221 56 P C 0.218 177.496 177.300 -0.036 0.000 1.155 56 P CA 0.320 63.387 63.100 -0.055 0.000 0.812 56 P CB 0.293 31.956 31.700 -0.060 0.000 0.801 57 A N 1.172 123.976 122.820 -0.027 0.000 2.580 57 A HA 0.305 4.624 4.320 -0.000 0.000 0.244 57 A C 0.755 178.331 177.584 -0.014 0.000 1.045 57 A CA 0.679 52.710 52.037 -0.011 0.000 0.761 57 A CB -0.576 18.419 19.000 -0.008 0.000 0.962 57 A HN 0.431 nan 8.150 nan 0.000 0.512 58 S N 0.781 116.475 115.700 -0.010 0.000 2.685 58 S HA 0.533 5.002 4.470 -0.000 0.000 0.282 58 S C -0.080 174.516 174.600 -0.006 0.000 1.159 58 S CA -0.448 57.746 58.200 -0.011 0.000 0.833 58 S CB 1.351 64.541 63.200 -0.017 0.000 1.151 58 S HN 0.510 nan 8.310 nan 0.000 0.485 59 D N 0.824 121.220 120.400 -0.006 0.000 2.355 59 D HA 0.099 4.738 4.640 -0.000 0.000 0.218 59 D C -0.281 176.016 176.300 -0.005 0.000 1.004 59 D CA 0.653 54.651 54.000 -0.003 0.000 0.880 59 D CB 0.084 40.882 40.800 -0.003 0.000 0.911 59 D HN 0.715 nan 8.370 nan 0.000 0.528 60 E N 0.976 121.171 120.200 -0.009 0.000 2.173 60 E HA 0.164 4.514 4.350 -0.000 0.000 0.249 60 E C 0.770 177.362 176.600 -0.014 0.000 0.923 60 E CA -0.282 56.112 56.400 -0.010 0.000 0.754 60 E CB 2.467 32.159 29.700 -0.013 0.000 1.177 60 E HN -0.218 nan 8.360 nan 0.000 0.430 61 V N 3.326 123.234 119.914 -0.009 0.000 2.568 61 V HA -0.244 3.876 4.120 -0.000 0.000 0.253 61 V C 2.008 178.088 176.094 -0.023 0.000 1.072 61 V CA 2.719 65.012 62.300 -0.011 0.000 1.084 61 V CB -0.406 31.416 31.823 -0.001 0.000 0.676 61 V HN 0.842 nan 8.190 nan 0.000 0.469 62 T N -2.196 112.345 114.554 -0.022 0.000 3.118 62 T HA -0.015 4.335 4.350 -0.000 0.000 0.260 62 T C 1.155 175.834 174.700 -0.035 0.000 1.139 62 T CA 0.131 62.215 62.100 -0.028 0.000 1.085 62 T CB -0.359 68.496 68.868 -0.022 0.000 0.934 62 T HN 0.432 nan 8.240 nan 0.000 0.518 63 R N 1.917 122.397 120.500 -0.034 0.000 2.235 63 R HA 0.259 4.599 4.340 -0.000 0.000 0.338 63 R C -0.590 175.677 176.300 -0.054 0.000 1.087 63 R CA -0.239 55.837 56.100 -0.040 0.000 0.948 63 R CB 0.386 30.667 30.300 -0.032 0.000 1.099 63 R HN 0.498 nan 8.270 nan 0.000 0.483 64 E N 1.414 121.573 120.200 -0.068 0.000 2.366 64 E HA 0.077 4.427 4.350 -0.000 0.000 0.266 64 E C -0.469 176.068 176.600 -0.106 0.000 1.051 64 E CA -0.021 56.321 56.400 -0.097 0.000 0.884 64 E CB 1.196 30.830 29.700 -0.111 0.000 1.006 64 E HN 0.361 nan 8.360 nan 0.000 0.417 65 T N 2.351 116.821 114.554 -0.138 0.000 2.749 65 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 65 T C -0.098 174.480 174.700 -0.202 0.000 0.936 65 T CA -0.302 61.708 62.100 -0.150 0.000 1.060 65 T CB 0.458 69.233 68.868 -0.156 0.000 0.904 65 T HN 0.383 nan 8.240 nan 0.000 0.500 66 E N 4.242 124.353 120.200 -0.148 0.000 2.223 66 E HA 0.238 4.587 4.350 -0.000 0.000 0.282 66 E C -0.729 175.787 176.600 -0.139 0.000 1.046 66 E CA -0.401 55.913 56.400 -0.143 0.000 0.857 66 E CB 0.396 30.046 29.700 -0.082 0.000 1.055 66 E HN 0.566 nan 8.360 nan 0.000 0.409 67 I N 4.293 124.749 120.570 -0.189 0.000 2.330 67 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 67 I C -0.110 176.075 176.117 0.113 0.000 1.025 67 I CA -0.619 60.640 61.300 -0.068 0.000 1.197 67 I CB 1.434 39.304 38.000 -0.217 0.000 1.358 67 I HN 0.506 nan 8.210 nan 0.000 0.467 68 A N 7.594 130.486 122.820 0.120 0.000 2.276 68 A HA 0.645 4.964 4.320 -0.000 0.000 0.300 68 A C -0.432 177.246 177.584 0.157 0.000 1.235 68 A CA -0.525 51.583 52.037 0.118 0.000 0.867 68 A CB 0.297 19.330 19.000 0.055 0.000 1.137 68 A HN 0.598 nan 8.150 nan 0.000 0.527 69 L N 3.103 124.403 121.223 0.128 0.000 2.410 69 L HA 0.359 4.699 4.340 -0.000 0.000 0.273 69 L C 0.817 177.652 176.870 -0.058 0.000 1.144 69 L CA 1.151 55.991 54.840 0.000 0.000 0.863 69 L CB 0.035 42.039 42.059 -0.092 0.000 1.140 69 L HN 0.703 nan 8.230 nan 0.000 0.463 70 R N 3.373 123.838 120.500 -0.059 0.000 2.604 70 R HA 0.447 4.787 4.340 -0.000 0.000 0.281 70 R C -2.629 173.654 176.300 -0.029 0.000 1.020 70 R CA -1.997 54.079 56.100 -0.041 0.000 0.899 70 R CB 1.794 32.112 30.300 0.030 0.000 1.205 70 R HN 0.269 nan 8.270 nan 0.000 0.450 71 P HA -0.019 nan 4.420 nan 0.000 0.266 71 P C -0.510 176.812 177.300 0.037 0.000 1.193 71 P CA 0.252 63.406 63.100 0.090 0.000 0.770 71 P CB 0.772 32.523 31.700 0.085 0.000 0.836 72 T N 1.713 116.236 114.554 -0.053 0.000 2.889 72 T HA 0.536 4.885 4.350 -0.000 0.000 0.315 72 T C -2.093 172.481 174.700 -0.211 0.000 1.291 72 T CA -0.614 61.472 62.100 -0.023 0.000 1.028 72 T CB 0.468 69.355 68.868 0.032 0.000 1.235 72 T HN 0.139 nan 8.240 nan 0.000 0.491 73 W N 2.938 124.257 121.300 0.032 0.000 2.376 73 W HA 0.675 5.334 4.660 -0.001 0.000 0.312 73 W C -0.584 175.938 176.519 0.004 0.000 1.060 73 W CA -0.510 56.842 57.345 0.012 0.000 1.221 73 W CB 1.565 31.030 29.460 0.008 0.000 1.281 73 W HN 0.426 nan 8.180 nan 0.000 0.456 74 V N 3.827 123.844 119.914 0.172 0.000 2.628 74 V HA 0.451 4.571 4.120 -0.000 0.000 0.306 74 V C -0.282 175.871 176.094 0.097 0.000 1.045 74 V CA -1.316 61.040 62.300 0.093 0.000 0.905 74 V CB 1.914 33.749 31.823 0.021 0.000 0.997 74 V HN 0.266 nan 8.190 nan 0.000 0.436 75 R N 3.134 123.671 120.500 0.062 0.000 2.391 75 R HA 0.441 4.781 4.340 -0.000 0.000 0.310 75 R C 0.800 177.104 176.300 0.008 0.000 1.174 75 R CA -0.104 56.020 56.100 0.039 0.000 1.118 75 R CB -0.295 30.018 30.300 0.022 0.000 1.134 75 R HN 0.761 nan 8.270 nan 0.000 0.524 76 L N 1.263 122.487 121.223 0.000 0.000 2.089 76 L HA -0.153 4.186 4.340 -0.000 0.000 0.213 76 L C 0.778 177.651 176.870 0.006 0.000 1.079 76 L CA 1.373 56.196 54.840 -0.027 0.000 0.758 76 L CB -0.307 41.706 42.059 -0.078 0.000 0.891 76 L HN 0.621 nan 8.230 nan 0.000 0.433 77 H N -2.717 116.295 119.070 -0.098 0.000 3.153 77 H HA 0.094 4.650 4.556 -0.000 0.000 0.323 77 H C -2.297 172.996 175.328 -0.058 0.000 1.096 77 H CA -1.001 54.990 56.048 -0.096 0.000 1.385 77 H CB 1.887 31.548 29.762 -0.169 0.000 2.027 77 H HN -0.316 nan 8.280 nan 0.000 0.499 78 P HA -0.133 nan 4.420 nan 0.000 0.218 78 P C 0.815 178.166 177.300 0.085 0.000 1.146 78 P CA 1.403 64.461 63.100 -0.070 0.000 0.820 78 P CB 0.270 31.891 31.700 -0.133 0.000 0.778 79 Q N -1.429 118.567 119.800 0.327 0.000 2.444 79 Q HA 0.134 4.474 4.340 -0.000 0.000 0.206 79 Q C 0.455 176.498 176.000 0.072 0.000 0.948 79 Q CA 0.081 55.995 55.803 0.186 0.000 0.946 79 Q CB -0.078 28.758 28.738 0.164 0.000 1.027 79 Q HN 0.317 nan 8.270 nan 0.000 0.513 80 L N 1.188 122.452 121.223 0.068 0.000 2.322 80 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 80 L C -2.135 174.742 176.870 0.012 0.000 1.012 80 L CA -2.497 52.343 54.840 0.001 0.000 0.815 80 L CB 1.085 43.123 42.059 -0.036 0.000 1.295 80 L HN -0.086 nan 8.230 nan 0.000 0.438 81 P HA 0.252 nan 4.420 nan 0.000 0.274 81 P C -2.688 174.647 177.300 0.058 0.000 1.256 81 P CA -1.511 61.599 63.100 0.017 0.000 0.795 81 P CB -0.432 31.278 31.700 0.017 0.000 1.038 82 P HA 0.169 nan 4.420 nan 0.000 0.272 82 P C -0.464 177.066 177.300 0.385 0.000 1.223 82 P CA 0.479 63.706 63.100 0.211 0.000 0.784 82 P CB 0.137 31.949 31.700 0.187 0.000 0.923 83 T N 2.900 117.647 114.554 0.322 0.000 2.786 83 T HA 0.327 4.677 4.350 -0.000 0.000 0.283 83 T C -0.321 174.291 174.700 -0.147 0.000 0.992 83 T CA -0.447 61.725 62.100 0.120 0.000 0.954 83 T CB 0.336 69.203 68.868 -0.003 0.000 0.934 83 T HN 0.167 nan 8.240 nan 0.000 0.440 84 L N 5.281 126.137 121.223 -0.612 0.000 2.462 84 L HA 0.505 4.844 4.340 -0.000 0.000 0.272 84 L C -0.535 175.971 176.870 -0.607 0.000 1.166 84 L CA 0.800 54.942 54.840 -1.163 0.000 0.880 84 L CB -0.354 40.959 42.059 -1.244 0.000 1.142 84 L HN 0.675 nan 8.230 nan 0.000 0.473 85 M N 3.737 123.044 119.600 -0.488 0.000 2.667 85 M HA 0.379 4.859 4.480 -0.000 0.000 0.286 85 M C -1.561 174.678 176.300 -0.102 0.000 1.270 85 M CA -0.582 54.533 55.300 -0.308 0.000 0.826 85 M CB 2.260 34.760 32.600 -0.167 0.000 1.743 85 M HN 0.421 nan 8.290 nan 0.000 0.460 86 W N 0.824 121.988 121.300 -0.227 0.000 2.429 86 W HA 0.704 5.364 4.660 0.000 0.000 0.314 86 W C -0.055 176.353 176.519 -0.184 0.000 1.062 86 W CA -1.159 56.071 57.345 -0.191 0.000 1.211 86 W CB 1.246 30.595 29.460 -0.185 0.000 1.305 86 W HN 0.654 nan 8.180 nan 0.000 0.476 87 G N 2.220 111.048 108.800 0.048 0.000 2.591 87 G HA2 0.530 4.489 3.960 -0.000 0.000 0.306 87 G HA3 0.530 4.489 3.960 -0.000 0.000 0.306 87 G C -1.891 173.016 174.900 0.012 0.000 1.334 87 G CA -0.740 44.356 45.100 -0.006 0.000 0.981 87 G HN 0.186 nan 8.290 nan 0.000 0.491 88 Y N 1.233 121.632 120.300 0.165 0.000 2.620 88 Y HA 0.087 4.637 4.550 -0.000 0.000 0.330 88 Y C 1.085 177.077 175.900 0.153 0.000 1.186 88 Y CA 0.684 58.913 58.100 0.215 0.000 1.467 88 Y CB 0.562 39.249 38.460 0.377 0.000 1.262 88 Y HN 0.632 nan 8.280 nan 0.000 0.550 89 D N 2.121 122.686 120.400 0.275 0.000 2.860 89 D HA -0.204 4.436 4.640 -0.000 0.000 0.229 89 D C 1.277 177.652 176.300 0.125 0.000 1.169 89 D CA 1.756 55.853 54.000 0.161 0.000 0.737 89 D CB -1.229 39.656 40.800 0.141 0.000 1.080 89 D HN 1.090 nan 8.370 nan 0.000 0.424 90 G N -0.870 107.998 108.800 0.114 0.000 2.203 90 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 90 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 90 G C 0.028 174.977 174.900 0.081 0.000 1.012 90 G CA 0.587 45.738 45.100 0.084 0.000 0.749 90 G HN 0.419 nan 8.290 nan 0.000 0.512 91 Q N -0.783 119.077 119.800 0.100 0.000 2.342 91 Q HA 0.685 5.025 4.340 -0.000 0.000 0.267 91 Q C -0.460 175.564 176.000 0.039 0.000 1.038 91 Q CA -0.740 55.108 55.803 0.074 0.000 0.832 91 Q CB 2.840 31.634 28.738 0.094 0.000 1.323 91 Q HN 0.304 nan 8.270 nan 0.000 0.448 92 V N 3.175 123.083 119.914 -0.011 0.000 2.482 92 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 92 V C -2.236 173.791 176.094 -0.110 0.000 1.026 92 V CA -1.720 60.517 62.300 -0.105 0.000 0.856 92 V CB 1.827 33.597 31.823 -0.087 0.000 1.001 92 V HN 0.609 nan 8.190 nan 0.000 0.424 93 P HA 0.205 nan 4.420 nan 0.000 0.271 93 P C 0.595 177.832 177.300 -0.105 0.000 1.233 93 P CA 0.199 63.058 63.100 -0.402 0.000 0.789 93 P CB 0.486 32.014 31.700 -0.285 0.000 0.951 94 G N 1.160 109.965 108.800 0.010 0.000 2.750 94 G HA2 0.203 4.162 3.960 -0.000 0.000 0.250 94 G HA3 0.203 4.162 3.960 -0.000 0.000 0.250 94 G C -2.422 172.627 174.900 0.248 0.000 1.230 94 G CA -0.730 44.547 45.100 0.294 0.000 0.883 94 G HN 0.338 nan 8.290 nan 0.000 0.573 95 P HA 0.164 nan 4.420 nan 0.000 0.269 95 P C 0.013 177.470 177.300 0.262 0.000 1.209 95 P CA 0.096 63.323 63.100 0.212 0.000 0.776 95 P CB 0.561 32.357 31.700 0.161 0.000 0.876 96 T N 3.996 118.653 114.554 0.172 0.000 2.727 96 T HA 0.266 4.615 4.350 -0.000 0.000 0.295 96 T C 0.621 175.389 174.700 0.114 0.000 0.915 96 T CA -0.030 62.172 62.100 0.171 0.000 1.066 96 T CB -0.634 68.297 68.868 0.106 0.000 0.891 96 T HN 0.193 nan 8.240 nan 0.000 0.516 97 I N 3.379 124.031 120.570 0.137 0.000 2.441 97 I HA 0.243 4.412 4.170 -0.000 0.000 0.287 97 I C 0.788 176.773 176.117 -0.221 0.000 1.049 97 I CA -0.102 61.156 61.300 -0.070 0.000 1.381 97 I CB 0.715 38.654 38.000 -0.101 0.000 1.409 97 I HN 0.526 nan 8.210 nan 0.000 0.523 98 E N 6.286 126.353 120.200 -0.222 0.000 2.218 98 E HA 0.581 4.931 4.350 -0.000 0.000 0.263 98 E C -1.375 175.086 176.600 -0.230 0.000 0.879 98 E CA -0.598 55.672 56.400 -0.218 0.000 0.762 98 E CB 2.141 31.777 29.700 -0.106 0.000 1.166 98 E HN 0.470 nan 8.360 nan 0.000 0.415 99 V N 0.883 120.642 119.914 -0.258 0.000 3.141 99 V HA 0.698 4.818 4.120 -0.000 0.000 0.312 99 V C -0.703 175.332 176.094 -0.098 0.000 1.157 99 V CA -1.114 61.091 62.300 -0.159 0.000 1.041 99 V CB 1.999 33.738 31.823 -0.140 0.000 1.071 99 V HN 0.598 nan 8.190 nan 0.000 0.441 100 R N 0.590 121.062 120.500 -0.046 0.000 2.604 100 R HA 0.547 4.887 4.340 -0.000 0.000 0.287 100 R C -0.155 176.146 176.300 0.001 0.000 0.970 100 R CA -0.936 55.146 56.100 -0.029 0.000 0.946 100 R CB 1.800 32.088 30.300 -0.020 0.000 1.127 100 R HN 0.871 nan 8.270 nan 0.000 0.473 101 R N 0.636 121.136 120.500 -0.000 0.000 2.494 101 R HA -0.104 4.236 4.340 -0.000 0.000 0.291 101 R C 0.596 176.923 176.300 0.044 0.000 0.953 101 R CA 1.866 57.984 56.100 0.029 0.000 1.098 101 R CB -0.110 30.199 30.300 0.014 0.000 0.911 101 R HN 0.949 nan 8.270 nan 0.000 0.407 102 G N 2.807 111.653 108.800 0.077 0.000 2.175 102 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.244 102 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.244 102 G C -0.213 174.728 174.900 0.068 0.000 0.982 102 G CA 0.175 45.318 45.100 0.071 0.000 0.641 102 G HN 0.643 nan 8.290 nan 0.000 0.527 103 Q N 0.587 120.428 119.800 0.069 0.000 2.344 103 Q HA 0.359 4.699 4.340 -0.000 0.000 0.253 103 Q C 0.635 176.695 176.000 0.099 0.000 1.050 103 Q CA -0.433 55.408 55.803 0.063 0.000 0.912 103 Q CB 0.776 29.538 28.738 0.039 0.000 1.258 103 Q HN 0.421 nan 8.270 nan 0.000 0.443 104 R N 2.449 123.002 120.500 0.089 0.000 2.421 104 R HA 0.161 4.501 4.340 -0.000 0.000 0.305 104 R C -0.490 175.863 176.300 0.089 0.000 1.039 104 R CA -0.099 56.062 56.100 0.102 0.000 1.003 104 R CB 0.263 30.604 30.300 0.068 0.000 0.959 104 R HN 0.457 nan 8.270 nan 0.000 0.427 105 V N 1.668 121.658 119.914 0.128 0.000 2.823 105 V HA 0.660 4.780 4.120 -0.000 0.000 0.312 105 V C -0.638 175.468 176.094 0.019 0.000 1.072 105 V CA -1.165 61.187 62.300 0.086 0.000 0.937 105 V CB 2.158 34.058 31.823 0.128 0.000 1.013 105 V HN 0.763 nan 8.190 nan 0.000 0.430 106 R N 3.051 123.521 120.500 -0.051 0.000 2.480 106 R HA 0.768 5.108 4.340 -0.000 0.000 0.306 106 R C -1.318 174.867 176.300 -0.191 0.000 0.958 106 R CA -0.530 55.486 56.100 -0.140 0.000 0.861 106 R CB 2.217 32.449 30.300 -0.113 0.000 1.171 106 R HN 0.775 nan 8.270 nan 0.000 0.445 107 I N 1.579 121.963 120.570 -0.310 0.000 2.474 107 I HA 0.407 4.577 4.170 -0.000 0.000 0.294 107 I C -0.268 175.543 176.117 -0.511 0.000 1.005 107 I CA -0.654 60.356 61.300 -0.483 0.000 1.113 107 I CB 2.201 39.743 38.000 -0.763 0.000 1.289 107 I HN 0.632 nan 8.210 nan 0.000 0.436 108 A N 6.284 128.846 122.820 -0.429 0.000 2.322 108 A HA 0.421 4.741 4.320 -0.000 0.000 0.327 108 A C -1.410 176.027 177.584 -0.246 0.000 1.394 108 A CA -0.372 51.508 52.037 -0.262 0.000 0.921 108 A CB -0.195 18.717 19.000 -0.146 0.000 1.153 108 A HN 0.710 nan 8.150 nan 0.000 0.523 109 W N 2.657 123.950 121.300 -0.013 0.000 2.585 109 W HA 0.365 5.026 4.660 0.000 0.000 0.337 109 W C -0.003 176.533 176.519 0.028 0.000 1.226 109 W CA 0.052 57.418 57.345 0.035 0.000 1.463 109 W CB 0.667 30.163 29.460 0.060 0.000 1.458 109 W HN 0.510 nan 8.180 nan 0.000 0.458 110 T N 3.364 118.035 114.554 0.196 0.000 2.772 110 T HA 0.065 4.414 4.350 -0.000 0.000 0.288 110 T C -0.138 174.594 174.700 0.054 0.000 0.994 110 T CA -0.842 61.301 62.100 0.071 0.000 0.951 110 T CB 0.587 69.455 68.868 0.000 0.000 0.933 110 T HN 0.156 nan 8.240 nan 0.000 0.447 111 N N 3.076 121.781 118.700 0.007 0.000 2.399 111 N HA 0.054 4.794 4.740 -0.000 0.000 0.259 111 N C 0.334 175.795 175.510 -0.081 0.000 1.160 111 N CA -0.267 52.767 53.050 -0.025 0.000 0.946 111 N CB 0.348 38.831 38.487 -0.007 0.000 1.156 111 N HN 0.431 nan 8.380 nan 0.000 0.489 112 R N 3.951 124.437 120.500 -0.023 0.000 2.791 112 R HA 0.280 4.619 4.340 -0.000 0.000 0.357 112 R C -0.231 176.191 176.300 0.202 0.000 1.173 112 R CA -0.313 55.833 56.100 0.076 0.000 1.060 112 R CB 0.142 30.469 30.300 0.046 0.000 1.406 112 R HN 0.508 nan 8.270 nan 0.000 0.580 113 I N 3.035 123.674 120.570 0.115 0.000 2.301 113 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 113 I C -2.122 173.979 176.117 -0.027 0.000 1.046 113 I CA -2.214 59.022 61.300 -0.107 0.000 1.282 113 I CB 1.097 38.714 38.000 -0.638 0.000 1.409 113 I HN -0.269 nan 8.210 nan 0.000 0.484 114 P HA 0.006 nan 4.420 nan 0.000 0.265 114 P C -0.489 176.548 177.300 -0.439 0.000 1.193 114 P CA -0.207 62.469 63.100 -0.706 0.000 0.765 114 P CB 0.440 31.897 31.700 -0.406 0.000 0.823 115 K N 1.881 121.967 120.400 -0.522 0.000 2.559 115 K HA 0.170 4.490 4.320 -0.000 0.000 0.279 115 K C 1.513 178.040 176.600 -0.122 0.000 0.967 115 K CA 1.747 57.911 56.287 -0.205 0.000 1.000 115 K CB -0.520 31.884 32.500 -0.159 0.000 0.890 115 K HN 0.795 nan 8.250 nan 0.000 0.501 116 G N 1.408 110.191 108.800 -0.030 0.000 2.184 116 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 116 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 116 G C -0.048 174.878 174.900 0.043 0.000 0.975 116 G CA 0.387 45.489 45.100 0.004 0.000 0.642 116 G HN 0.566 nan 8.290 nan 0.000 0.536 117 S N 0.420 116.159 115.700 0.065 0.000 2.558 117 S HA 0.304 4.774 4.470 -0.000 0.000 0.288 117 S C 0.505 175.225 174.600 0.199 0.000 1.318 117 S CA -0.036 58.248 58.200 0.140 0.000 1.056 117 S CB 1.423 64.739 63.200 0.194 0.000 0.853 117 S HN 0.523 nan 8.310 nan 0.000 0.505 118 E N 1.090 121.382 120.200 0.152 0.000 2.414 118 E HA -0.026 4.323 4.350 -0.000 0.000 0.263 118 E C -0.912 175.743 176.600 0.092 0.000 1.000 118 E CA -0.155 56.309 56.400 0.107 0.000 0.914 118 E CB 0.327 30.055 29.700 0.047 0.000 0.948 118 E HN 0.562 nan 8.360 nan 0.000 0.444 119 Y N 6.210 126.472 120.300 -0.062 0.000 2.496 119 Y HA 0.101 4.651 4.550 -0.000 0.000 0.334 119 Y C -1.831 173.832 175.900 -0.394 0.000 1.080 119 Y CA -1.895 56.044 58.100 -0.269 0.000 1.355 119 Y CB 1.022 39.347 38.460 -0.225 0.000 1.193 119 Y HN 0.560 nan 8.280 nan 0.000 0.523 120 P HA -0.070 nan 4.420 nan 0.000 0.226 120 P C -0.783 176.183 177.300 -0.556 0.000 1.153 120 P CA 0.983 63.589 63.100 -0.824 0.000 0.777 120 P CB 0.243 31.297 31.700 -1.077 0.000 0.794 121 V N -0.135 119.446 119.914 -0.555 0.000 2.384 121 V HA 0.217 4.337 4.120 -0.000 0.000 0.287 121 V C 0.246 176.281 176.094 -0.099 0.000 1.020 121 V CA -0.437 61.722 62.300 -0.235 0.000 0.850 121 V CB 1.460 33.211 31.823 -0.119 0.000 0.987 121 V HN -0.140 nan 8.190 nan 0.000 0.436 122 T N 3.696 118.207 114.554 -0.071 0.000 2.817 122 T HA 0.291 4.641 4.350 -0.000 0.000 0.293 122 T C 0.184 174.876 174.700 -0.014 0.000 0.964 122 T CA 0.140 62.209 62.100 -0.052 0.000 1.085 122 T CB 1.116 69.972 68.868 -0.019 0.000 0.921 122 T HN 0.683 nan 8.240 nan 0.000 0.502 123 S N 2.728 118.378 115.700 -0.082 0.000 2.454 123 S HA 0.724 5.194 4.470 -0.000 0.000 0.306 123 S C -0.446 174.198 174.600 0.072 0.000 1.100 123 S CA -0.711 57.506 58.200 0.028 0.000 1.087 123 S CB 0.323 63.398 63.200 -0.208 0.000 1.019 123 S HN 0.663 nan 8.310 nan 0.000 0.480 124 V N 2.128 122.145 119.914 0.171 0.000 3.007 124 V HA 0.738 4.858 4.120 -0.000 0.000 0.311 124 V C -1.079 175.122 176.094 0.179 0.000 1.120 124 V CA -0.949 61.433 62.300 0.137 0.000 0.980 124 V CB 1.870 33.754 31.823 0.100 0.000 1.033 124 V HN 0.849 nan 8.190 nan 0.000 0.429 125 E N 2.019 122.303 120.200 0.141 0.000 2.165 125 E HA 0.623 4.972 4.350 -0.000 0.000 0.266 125 E C -0.599 176.059 176.600 0.096 0.000 0.889 125 E CA -0.747 55.734 56.400 0.135 0.000 0.756 125 E CB 2.411 32.194 29.700 0.139 0.000 1.131 125 E HN 0.944 nan 8.360 nan 0.000 0.411 126 V N 0.572 120.537 119.914 0.085 0.000 2.850 126 V HA 0.654 4.774 4.120 -0.000 0.000 0.315 126 V C -2.646 173.480 176.094 0.053 0.000 1.064 126 V CA -2.750 59.587 62.300 0.063 0.000 0.979 126 V CB 1.294 33.151 31.823 0.056 0.000 1.039 126 V HN 0.420 nan 8.190 nan 0.000 0.452 127 P HA 0.305 nan 4.420 nan 0.000 0.274 127 P C 1.066 178.381 177.300 0.025 0.000 1.237 127 P CA -0.410 62.710 63.100 0.033 0.000 0.793 127 P CB 0.705 32.421 31.700 0.026 0.000 0.977 128 L N 0.614 121.849 121.223 0.020 0.000 2.081 128 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 128 L C 1.184 178.055 176.870 0.001 0.000 1.080 128 L CA 1.980 56.826 54.840 0.010 0.000 0.754 128 L CB -1.112 40.952 42.059 0.007 0.000 0.893 128 L HN 0.790 nan 8.230 nan 0.000 0.433 129 G N -0.784 108.018 108.800 0.003 0.000 2.888 129 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.441 129 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.441 129 G C -2.492 172.403 174.900 -0.009 0.000 1.461 129 G CA -0.528 44.570 45.100 -0.003 0.000 0.897 129 G HN 0.212 nan 8.290 nan 0.000 0.547 130 P HA 0.380 nan 4.420 nan 0.000 0.276 130 P C -2.070 175.218 177.300 -0.020 0.000 1.230 130 P CA -1.200 61.892 63.100 -0.014 0.000 0.776 130 P CB 0.607 32.299 31.700 -0.014 0.000 0.888 131 P HA 0.052 nan 4.420 nan 0.000 0.272 131 P C 0.830 178.113 177.300 -0.028 0.000 1.230 131 P CA 0.391 63.477 63.100 -0.024 0.000 0.788 131 P CB 0.230 31.919 31.700 -0.019 0.000 0.949 132 G N 0.332 109.111 108.800 -0.035 0.000 2.200 132 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.267 132 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.267 132 G C 0.333 175.208 174.900 -0.042 0.000 0.993 132 G CA 0.910 45.987 45.100 -0.039 0.000 0.701 132 G HN 0.988 nan 8.290 nan 0.000 0.524 133 T N -2.253 112.275 114.554 -0.043 0.000 2.940 133 T HA 0.684 5.033 4.350 -0.000 0.000 0.288 133 T C -2.730 171.932 174.700 -0.062 0.000 1.033 133 T CA -1.915 60.156 62.100 -0.049 0.000 1.033 133 T CB 2.672 71.516 68.868 -0.040 0.000 1.079 133 T HN -0.016 nan 8.240 nan 0.000 0.496 134 P HA 0.327 nan 4.420 nan 0.000 0.262 134 P C 0.083 177.333 177.300 -0.083 0.000 1.199 134 P CA -0.116 62.927 63.100 -0.095 0.000 0.763 134 P CB -0.183 31.450 31.700 -0.112 0.000 0.790 135 A N 6.917 129.683 122.820 -0.091 0.000 2.615 135 A HA 0.011 4.331 4.320 -0.000 0.000 0.230 135 A C -0.980 176.566 177.584 -0.063 0.000 1.062 135 A CA -0.356 51.637 52.037 -0.074 0.000 0.758 135 A CB -0.956 17.989 19.000 -0.091 0.000 0.995 135 A HN 0.446 nan 8.150 nan 0.000 0.511 136 P HA -0.142 nan 4.420 nan 0.000 0.219 136 P C 0.741 178.029 177.300 -0.019 0.000 1.146 136 P CA 1.518 64.609 63.100 -0.017 0.000 0.808 136 P CB -0.146 31.558 31.700 0.006 0.000 0.779 137 N N -1.917 116.760 118.700 -0.039 0.000 2.515 137 N HA -0.031 4.709 4.740 -0.000 0.000 0.191 137 N C 0.702 176.155 175.510 -0.095 0.000 1.182 137 N CA 0.881 53.898 53.050 -0.056 0.000 0.879 137 N CB -1.478 36.966 38.487 -0.073 0.000 0.984 137 N HN -0.023 nan 8.380 nan 0.000 0.453 138 T N -0.431 114.063 114.554 -0.100 0.000 3.086 138 T HA 0.142 4.491 4.350 -0.000 0.000 0.250 138 T C -0.307 174.324 174.700 -0.115 0.000 1.074 138 T CA 0.006 62.018 62.100 -0.147 0.000 0.988 138 T CB 0.234 69.004 68.868 -0.164 0.000 0.988 138 T HN 0.382 nan 8.240 nan 0.000 0.530 139 E N 1.849 122.028 120.200 -0.035 0.000 2.317 139 E HA 0.365 4.715 4.350 -0.000 0.000 0.270 139 E C -2.747 173.917 176.600 0.105 0.000 0.885 139 E CA -2.518 53.901 56.400 0.033 0.000 0.760 139 E CB 2.179 31.895 29.700 0.027 0.000 1.227 139 E HN 0.015 nan 8.360 nan 0.000 0.434 140 P HA 0.224 nan 4.420 nan 0.000 0.275 140 P C 0.209 177.587 177.300 0.129 0.000 1.266 140 P CA 0.255 63.482 63.100 0.212 0.000 0.793 140 P CB 0.460 32.315 31.700 0.257 0.000 1.074 141 G N 0.321 109.187 108.800 0.112 0.000 2.781 141 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.683 141 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.683 141 G C 0.140 175.085 174.900 0.075 0.000 1.390 141 G CA -0.399 44.748 45.100 0.079 0.000 0.850 141 G HN 0.528 nan 8.290 nan 0.000 0.557 142 R N 0.948 121.484 120.500 0.060 0.000 2.334 142 R HA 0.440 4.780 4.340 -0.000 0.000 0.216 142 R C 2.095 178.424 176.300 0.049 0.000 0.905 142 R CA 1.395 57.530 56.100 0.058 0.000 1.064 142 R CB 0.160 30.491 30.300 0.050 0.000 1.046 142 R HN 2.151 nan 8.270 nan 0.000 0.508 143 G N 0.416 109.242 108.800 0.044 0.000 2.601 143 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.306 143 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.306 143 G C 0.684 175.602 174.900 0.031 0.000 1.172 143 G CA 0.048 45.169 45.100 0.035 0.000 0.966 143 G HN 0.446 nan 8.290 nan 0.000 0.542 144 G N -0.745 108.072 108.800 0.028 0.000 3.596 144 G HA2 0.530 4.490 3.960 -0.000 0.000 0.274 144 G HA3 0.530 4.490 3.960 -0.000 0.000 0.274 144 G C 0.171 175.086 174.900 0.025 0.000 1.007 144 G CA 0.950 46.065 45.100 0.024 0.000 0.825 144 G HN 1.141 nan 8.290 nan 0.000 0.508 145 V N 2.004 121.936 119.914 0.031 0.000 2.572 145 V HA 0.138 4.258 4.120 -0.000 0.000 0.291 145 V C 0.250 176.360 176.094 0.027 0.000 1.039 145 V CA -0.667 61.652 62.300 0.031 0.000 1.055 145 V CB 1.243 33.091 31.823 0.042 0.000 0.969 145 V HN 0.236 nan 8.190 nan 0.000 0.482 146 E N 5.798 126.010 120.200 0.020 0.000 2.452 146 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 146 E C -2.224 174.381 176.600 0.009 0.000 0.987 146 E CA -1.607 54.800 56.400 0.011 0.000 0.926 146 E CB 0.246 29.949 29.700 0.006 0.000 0.934 146 E HN 0.453 nan 8.360 nan 0.000 0.452 147 P HA -0.065 nan 4.420 nan 0.000 0.266 147 P C 0.110 177.388 177.300 -0.037 0.000 1.195 147 P CA -0.059 63.031 63.100 -0.016 0.000 0.768 147 P CB 0.396 32.079 31.700 -0.028 0.000 0.838 148 N N 2.617 121.282 118.700 -0.058 0.000 2.411 148 N HA -0.074 4.666 4.740 -0.000 0.000 0.265 148 N C 0.767 176.197 175.510 -0.133 0.000 1.266 148 N CA 0.390 53.385 53.050 -0.091 0.000 0.889 148 N CB 0.473 38.891 38.487 -0.116 0.000 1.069 148 N HN 0.122 nan 8.380 nan 0.000 0.476 149 K N 2.248 122.588 120.400 -0.099 0.000 2.228 149 K HA 0.012 4.332 4.320 -0.000 0.000 0.202 149 K C 0.935 177.456 176.600 -0.133 0.000 1.051 149 K CA 0.854 57.084 56.287 -0.097 0.000 0.960 149 K CB 0.182 32.645 32.500 -0.061 0.000 0.743 149 K HN 0.519 nan 8.250 nan 0.000 0.458 150 D N -0.223 120.088 120.400 -0.148 0.000 2.117 150 D HA -0.105 4.534 4.640 -0.000 0.000 0.198 150 D C 1.827 177.953 176.300 -0.291 0.000 0.982 150 D CA 0.904 54.801 54.000 -0.171 0.000 0.828 150 D CB -0.122 40.603 40.800 -0.125 0.000 0.967 150 D HN -0.106 nan 8.370 nan 0.000 0.464 151 V N 1.687 121.343 119.914 -0.429 0.000 2.287 151 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 151 V C 2.524 178.297 176.094 -0.535 0.000 1.053 151 V CA 1.921 63.797 62.300 -0.705 0.000 1.027 151 V CB -0.851 30.357 31.823 -1.025 0.000 0.646 151 V HN 0.187 nan 8.190 nan 0.000 0.447 152 A N -0.372 122.264 122.820 -0.307 0.000 2.121 152 A HA 0.085 4.405 4.320 -0.000 0.000 0.218 152 A C 2.138 179.654 177.584 -0.113 0.000 1.154 152 A CA 1.564 53.508 52.037 -0.154 0.000 0.679 152 A CB -0.460 18.484 19.000 -0.093 0.000 0.795 152 A HN 0.600 nan 8.150 nan 0.000 0.458 153 A N -0.807 121.918 122.820 -0.158 0.000 2.275 153 A HA 0.465 4.785 4.320 -0.000 0.000 0.212 153 A C 0.703 178.215 177.584 -0.120 0.000 1.201 153 A CA -0.363 51.611 52.037 -0.106 0.000 0.843 153 A CB -0.323 18.619 19.000 -0.096 0.000 0.873 153 A HN 0.404 nan 8.150 nan 0.000 0.492 154 L N 2.275 123.351 121.223 -0.245 0.000 2.499 154 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 154 L C -1.750 175.147 176.870 0.045 0.000 1.195 154 L CA -1.241 53.464 54.840 -0.225 0.000 0.882 154 L CB 0.478 42.158 42.059 -0.632 0.000 1.133 154 L HN 0.234 nan 8.230 nan 0.000 0.483 155 P HA 0.216 nan 4.420 nan 0.000 0.280 155 P C -1.073 176.477 177.300 0.417 0.000 1.272 155 P CA -0.771 62.469 63.100 0.233 0.000 0.819 155 P CB 0.950 32.721 31.700 0.119 0.000 1.122 156 A N 0.801 123.822 122.820 0.335 0.000 2.476 156 A HA 0.249 4.569 4.320 -0.000 0.000 0.275 156 A C -0.941 176.821 177.584 0.297 0.000 1.133 156 A CA 0.059 52.180 52.037 0.139 0.000 0.797 156 A CB -1.142 17.580 19.000 -0.463 0.000 1.081 156 A HN 0.619 nan 8.150 nan 0.000 0.510 157 W N 2.995 124.388 121.300 0.154 0.000 2.740 157 W HA 0.516 5.175 4.660 -0.001 0.000 0.316 157 W C -0.616 175.982 176.519 0.132 0.000 1.020 157 W CA -0.248 57.167 57.345 0.117 0.000 1.278 157 W CB 1.251 30.777 29.460 0.110 0.000 1.224 157 W HN 0.699 nan 8.180 nan 0.000 0.393 158 S N 4.722 120.284 115.700 -0.231 0.000 2.541 158 S HA 0.844 5.313 4.470 -0.000 0.000 0.280 158 S C -2.211 172.233 174.600 -0.259 0.000 1.112 158 S CA -0.604 57.483 58.200 -0.189 0.000 0.925 158 S CB 1.646 64.835 63.200 -0.018 0.000 1.067 158 S HN 0.511 nan 8.310 nan 0.000 0.479 159 V N 3.645 123.414 119.914 -0.241 0.000 2.760 159 V HA 0.733 4.852 4.120 -0.000 0.000 0.309 159 V C -0.758 175.233 176.094 -0.171 0.000 1.077 159 V CA -0.174 62.007 62.300 -0.198 0.000 0.910 159 V CB 2.417 34.090 31.823 -0.251 0.000 1.008 159 V HN 1.021 nan 8.190 nan 0.000 0.424 160 T N 4.734 119.118 114.554 -0.283 0.000 2.797 160 T HA 0.509 4.859 4.350 -0.000 0.000 0.279 160 T C -1.305 173.129 174.700 -0.444 0.000 0.991 160 T CA -0.103 61.698 62.100 -0.499 0.000 0.979 160 T CB 0.761 68.878 68.868 -1.252 0.000 0.943 160 T HN 0.836 nan 8.240 nan 0.000 0.444 161 H N 2.508 121.272 119.070 -0.509 0.000 2.547 161 H HA 0.562 5.117 4.556 -0.000 0.000 0.342 161 H C -1.134 173.887 175.328 -0.511 0.000 1.048 161 H CA -1.159 54.641 56.048 -0.414 0.000 1.204 161 H CB 0.778 30.373 29.762 -0.279 0.000 1.493 161 H HN 0.377 nan 8.280 nan 0.000 0.511 162 L N 6.338 127.058 121.223 -0.839 0.000 2.334 162 L HA 0.217 4.556 4.340 -0.000 0.000 0.286 162 L C -0.494 175.669 176.870 -1.179 0.000 1.108 162 L CA -0.196 54.113 54.840 -0.885 0.000 0.875 162 L CB -0.716 40.787 42.059 -0.927 0.000 1.246 162 L HN 0.839 nan 8.230 nan 0.000 0.439 163 H N 4.704 123.080 119.070 -1.157 0.000 3.026 163 H HA 0.443 4.999 4.556 -0.000 0.000 0.289 163 H C 1.245 176.200 175.328 -0.621 0.000 1.022 163 H CA 1.149 56.698 56.048 -0.831 0.000 1.477 163 H CB 0.500 29.889 29.762 -0.622 0.000 1.510 163 H HN 0.902 nan 8.280 nan 0.000 0.535 164 G N 2.715 111.141 108.800 -0.623 0.000 2.254 164 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.225 164 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.225 164 G C 0.419 174.366 174.900 -1.588 0.000 1.003 164 G CA -0.129 44.480 45.100 -0.818 0.000 0.622 164 G HN 0.980 nan 8.290 nan 0.000 0.507 165 A N 0.676 122.392 122.820 -1.840 0.000 2.520 165 A HA 0.534 4.853 4.320 -0.000 0.000 0.245 165 A C 0.609 177.758 177.584 -0.725 0.000 1.072 165 A CA 1.076 52.034 52.037 -1.799 0.000 0.761 165 A CB 0.270 18.540 19.000 -1.217 0.000 1.004 165 A HN 0.725 nan 8.150 nan 0.000 0.499 166 Q N 1.757 121.310 119.800 -0.412 0.000 2.344 166 Q HA 0.429 4.769 4.340 -0.000 0.000 0.253 166 Q C -0.326 175.684 176.000 0.017 0.000 1.050 166 Q CA 0.265 56.017 55.803 -0.085 0.000 0.912 166 Q CB 0.405 29.203 28.738 0.100 0.000 1.258 166 Q HN 0.826 nan 8.270 nan 0.000 0.443 167 T N 1.768 116.368 114.554 0.077 0.000 2.827 167 T HA 0.495 4.845 4.350 -0.000 0.000 0.328 167 T C -0.519 174.362 174.700 0.302 0.000 1.598 167 T CA -0.068 62.139 62.100 0.179 0.000 1.043 167 T CB 0.893 69.903 68.868 0.236 0.000 1.447 167 T HN 0.703 nan 8.240 nan 0.000 0.491 168 G N 0.519 109.474 108.800 0.258 0.000 2.636 168 G HA2 0.427 4.387 3.960 -0.000 0.000 0.246 168 G HA3 0.427 4.387 3.960 -0.000 0.000 0.246 168 G C 1.366 176.331 174.900 0.108 0.000 1.216 168 G CA 0.166 45.441 45.100 0.292 0.000 0.854 168 G HN 1.154 nan 8.290 nan 0.000 0.572 169 G N 0.210 108.817 108.800 -0.321 0.000 2.475 169 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.220 169 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.220 169 G C 1.683 176.439 174.900 -0.239 0.000 1.125 169 G CA 1.414 46.109 45.100 -0.674 0.000 0.755 169 G HN 0.984 nan 8.290 nan 0.000 0.565 170 G N 0.239 108.961 108.800 -0.130 0.000 2.534 170 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 170 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 170 G C 1.511 176.400 174.900 -0.018 0.000 1.128 170 G CA 0.696 45.752 45.100 -0.074 0.000 0.784 170 G HN 0.463 nan 8.290 nan 0.000 0.542 171 N N 0.384 119.093 118.700 0.015 0.000 2.325 171 N HA 0.001 4.741 4.740 -0.000 0.000 0.182 171 N C 1.014 176.613 175.510 0.149 0.000 1.088 171 N CA 0.359 53.433 53.050 0.039 0.000 0.879 171 N CB 0.293 38.784 38.487 0.006 0.000 0.983 171 N HN 0.192 nan 8.380 nan 0.000 0.471 172 D N 0.623 121.115 120.400 0.152 0.000 2.347 172 D HA 0.038 4.678 4.640 -0.000 0.000 0.215 172 D C 0.580 177.015 176.300 0.225 0.000 0.976 172 D CA 0.496 54.646 54.000 0.249 0.000 0.884 172 D CB -0.038 40.934 40.800 0.287 0.000 0.915 172 D HN 0.310 nan 8.370 nan 0.000 0.526 173 G N 0.732 109.591 108.800 0.099 0.000 2.452 173 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.275 173 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.275 173 G C -0.130 174.701 174.900 -0.115 0.000 1.131 173 G CA -0.140 44.954 45.100 -0.011 0.000 1.031 173 G HN 0.322 nan 8.290 nan 0.000 0.511 174 W N 0.907 122.078 121.300 -0.214 0.000 2.347 174 W HA 0.337 4.997 4.660 -0.000 0.000 0.333 174 W C 0.965 177.336 176.519 -0.245 0.000 1.383 174 W CA 0.186 57.381 57.345 -0.251 0.000 1.283 174 W CB 0.615 29.971 29.460 -0.173 0.000 1.253 174 W HN 0.617 nan 8.180 nan 0.000 0.563 175 A N 4.436 126.695 122.820 -0.935 0.000 1.933 175 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 175 A C 1.658 178.985 177.584 -0.427 0.000 1.175 175 A CA 1.927 53.568 52.037 -0.660 0.000 0.628 175 A CB -0.412 18.149 19.000 -0.731 0.000 0.814 175 A HN 0.691 nan 8.150 nan 0.000 0.444 176 D N -0.058 120.161 120.400 -0.302 0.000 2.264 176 D HA -0.085 4.555 4.640 -0.000 0.000 0.208 176 D C 0.637 177.052 176.300 0.193 0.000 0.966 176 D CA 0.886 54.968 54.000 0.137 0.000 0.864 176 D CB -0.491 40.555 40.800 0.411 0.000 0.933 176 D HN 0.634 nan 8.370 nan 0.000 0.499 177 N N 0.413 119.189 118.700 0.126 0.000 2.378 177 N HA 0.249 4.989 4.740 -0.000 0.000 0.243 177 N C -0.031 175.441 175.510 -0.063 0.000 1.137 177 N CA -0.502 52.618 53.050 0.117 0.000 0.862 177 N CB 0.669 39.256 38.487 0.166 0.000 1.116 177 N HN 0.014 nan 8.380 nan 0.000 0.499 178 A N 0.903 123.502 122.820 -0.368 0.000 2.466 178 A HA 0.344 4.664 4.320 -0.000 0.000 0.238 178 A C 0.444 177.843 177.584 -0.308 0.000 1.074 178 A CA -0.211 51.397 52.037 -0.715 0.000 0.774 178 A CB 0.289 18.174 19.000 -1.858 0.000 1.015 178 A HN 0.123 nan 8.150 nan 0.000 0.498 179 V N -0.117 119.702 119.914 -0.158 0.000 2.769 179 V HA 0.894 5.014 4.120 -0.000 0.000 0.312 179 V C 0.502 176.731 176.094 0.224 0.000 1.061 179 V CA -0.120 62.253 62.300 0.123 0.000 0.931 179 V CB 1.171 33.035 31.823 0.068 0.000 1.010 179 V HN 1.314 nan 8.190 nan 0.000 0.433 180 G N 1.276 110.260 108.800 0.306 0.000 2.537 180 G HA2 0.498 4.458 3.960 -0.000 0.000 0.297 180 G HA3 0.498 4.458 3.960 -0.000 0.000 0.297 180 G C -0.603 174.397 174.900 0.167 0.000 1.310 180 G CA -0.917 44.351 45.100 0.280 0.000 1.027 180 G HN 0.967 nan 8.290 nan 0.000 0.505 181 F N 0.603 120.581 119.950 0.046 0.000 2.604 181 F HA 0.318 4.844 4.527 -0.000 0.000 0.393 181 F C 1.435 177.245 175.800 0.018 0.000 1.043 181 F CA 1.553 59.555 58.000 0.003 0.000 1.227 181 F CB 0.303 39.298 39.000 -0.009 0.000 1.016 181 F HN 1.043 nan 8.300 nan 0.000 0.556 182 G N 3.443 111.737 108.800 -0.844 0.000 2.217 182 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.246 182 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.246 182 G C -0.154 174.569 174.900 -0.295 0.000 0.990 182 G CA 0.110 44.760 45.100 -0.750 0.000 0.627 182 G HN 0.672 nan 8.290 nan 0.000 0.522 183 D N 0.494 120.799 120.400 -0.158 0.000 2.326 183 D HA 0.749 5.388 4.640 -0.000 0.000 0.248 183 D C 0.390 176.673 176.300 -0.029 0.000 1.001 183 D CA 0.578 54.542 54.000 -0.061 0.000 0.961 183 D CB 1.757 42.559 40.800 0.003 0.000 1.183 183 D HN 0.720 nan 8.370 nan 0.000 0.502 184 A N 0.343 123.162 122.820 -0.002 0.000 2.380 184 A HA 0.462 4.781 4.320 -0.000 0.000 0.315 184 A C -0.828 176.790 177.584 0.058 0.000 1.101 184 A CA -0.696 51.357 52.037 0.028 0.000 0.771 184 A CB 1.779 20.778 19.000 -0.002 0.000 1.287 184 A HN 0.446 nan 8.150 nan 0.000 0.436 185 Q N 2.059 121.929 119.800 0.118 0.000 2.348 185 Q HA 0.577 4.917 4.340 -0.000 0.000 0.265 185 Q C -1.749 174.345 176.000 0.155 0.000 0.998 185 Q CA -0.398 55.488 55.803 0.138 0.000 0.831 185 Q CB 0.770 29.613 28.738 0.175 0.000 1.251 185 Q HN 0.714 nan 8.270 nan 0.000 0.456 186 L N 2.757 124.018 121.223 0.064 0.000 2.276 186 L HA 0.471 4.811 4.340 -0.000 0.000 0.286 186 L C -0.339 176.519 176.870 -0.019 0.000 1.061 186 L CA -0.513 54.323 54.840 -0.007 0.000 0.807 186 L CB 1.649 43.684 42.059 -0.039 0.000 1.177 186 L HN 0.592 nan 8.230 nan 0.000 0.429 187 S N 1.949 117.580 115.700 -0.114 0.000 2.502 187 S HA 0.329 4.799 4.470 -0.000 0.000 0.304 187 S C -0.680 173.612 174.600 -0.514 0.000 1.097 187 S CA -0.706 57.317 58.200 -0.294 0.000 1.045 187 S CB 2.128 65.130 63.200 -0.329 0.000 1.019 187 S HN 0.598 nan 8.310 nan 0.000 0.481 188 E N 2.035 121.983 120.200 -0.419 0.000 2.175 188 E HA 0.369 4.718 4.350 -0.000 0.000 0.278 188 E C -1.690 174.712 176.600 -0.329 0.000 0.969 188 E CA -0.536 55.673 56.400 -0.319 0.000 0.796 188 E CB 0.600 30.234 29.700 -0.111 0.000 1.104 188 E HN 0.564 nan 8.360 nan 0.000 0.395 189 Y N 4.959 125.317 120.300 0.096 0.000 2.388 189 Y HA 0.288 4.838 4.550 -0.000 0.000 0.328 189 Y C -2.014 173.978 175.900 0.152 0.000 0.963 189 Y CA -2.713 55.464 58.100 0.129 0.000 1.240 189 Y CB 1.662 40.234 38.460 0.187 0.000 1.118 189 Y HN 0.574 nan 8.280 nan 0.000 0.484 190 P HA -0.093 nan 4.420 nan 0.000 0.221 190 P C -0.447 176.996 177.300 0.239 0.000 1.150 190 P CA 1.251 64.472 63.100 0.202 0.000 0.800 190 P CB 0.188 31.982 31.700 0.156 0.000 0.787 191 N N -2.154 116.746 118.700 0.333 0.000 2.747 191 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 191 N C -0.497 175.171 175.510 0.263 0.000 1.107 191 N CA 0.273 53.541 53.050 0.365 0.000 0.707 191 N CB -1.681 36.994 38.487 0.314 0.000 1.054 191 N HN 0.182 nan 8.380 nan 0.000 0.555 192 D N 0.666 121.216 120.400 0.250 0.000 2.631 192 D HA 0.115 4.755 4.640 -0.000 0.000 0.227 192 D C -0.730 175.700 176.300 0.217 0.000 1.146 192 D CA 0.329 54.433 54.000 0.174 0.000 1.009 192 D CB -0.026 40.845 40.800 0.118 0.000 1.057 192 D HN 0.370 nan 8.370 nan 0.000 0.509 193 H N 1.168 120.294 119.070 0.092 0.000 3.064 193 H HA 0.155 4.711 4.556 -0.000 0.000 0.352 193 H C -0.817 174.495 175.328 -0.027 0.000 1.260 193 H CA -0.583 55.507 56.048 0.071 0.000 1.160 193 H CB 1.611 31.522 29.762 0.248 0.000 1.879 193 H HN 0.330 nan 8.280 nan 0.000 0.544 194 Q N 2.059 121.695 119.800 -0.273 0.000 2.454 194 Q HA 0.501 4.841 4.340 -0.000 0.000 0.247 194 Q C -0.160 175.854 176.000 0.023 0.000 1.028 194 Q CA -0.332 55.405 55.803 -0.109 0.000 0.910 194 Q CB 0.787 29.419 28.738 -0.177 0.000 1.276 194 Q HN 0.564 nan 8.270 nan 0.000 0.489 195 A N 1.430 124.232 122.820 -0.030 0.000 2.587 195 A HA 0.307 4.627 4.320 -0.000 0.000 0.233 195 A C 0.255 177.799 177.584 -0.068 0.000 1.049 195 A CA 1.110 53.106 52.037 -0.068 0.000 0.754 195 A CB 0.115 19.088 19.000 -0.046 0.000 0.977 195 A HN 0.795 nan 8.150 nan 0.000 0.509 196 T N 0.139 114.589 114.554 -0.174 0.000 2.676 196 T HA 0.322 4.672 4.350 -0.000 0.000 0.308 196 T C -1.535 173.024 174.700 -0.234 0.000 1.740 196 T CA -0.426 61.575 62.100 -0.165 0.000 0.982 196 T CB 0.775 69.560 68.868 -0.138 0.000 1.724 196 T HN 0.933 nan 8.240 nan 0.000 0.497 197 Q N 1.661 121.399 119.800 -0.103 0.000 2.331 197 Q HA 0.438 4.778 4.340 -0.000 0.000 0.257 197 Q C -1.056 175.046 176.000 0.170 0.000 0.957 197 Q CA -0.663 55.146 55.803 0.010 0.000 0.923 197 Q CB 0.523 29.293 28.738 0.055 0.000 1.212 197 Q HN 0.493 nan 8.270 nan 0.000 0.443 198 W N 3.969 125.378 121.300 0.183 0.000 2.367 198 W HA 0.521 5.181 4.660 -0.001 0.000 0.369 198 W C -0.216 176.508 176.519 0.343 0.000 1.276 198 W CA -0.911 56.547 57.345 0.188 0.000 1.415 198 W CB 0.836 30.303 29.460 0.012 0.000 1.306 198 W HN 0.635 nan 8.180 nan 0.000 0.669 199 W N 1.696 123.136 121.300 0.233 0.000 3.167 199 W HA 0.530 5.189 4.660 -0.000 0.000 0.324 199 W C -2.127 174.466 176.519 0.124 0.000 1.230 199 W CA -2.197 55.236 57.345 0.147 0.000 1.184 199 W CB -0.304 29.181 29.460 0.041 0.000 1.414 199 W HN 0.533 nan 8.180 nan 0.000 0.551 200 Y N 0.614 120.897 120.300 -0.028 0.000 2.485 200 Y HA 0.795 5.345 4.550 -0.000 0.000 0.345 200 Y C -0.659 175.117 175.900 -0.206 0.000 0.998 200 Y CA -1.222 56.653 58.100 -0.375 0.000 1.059 200 Y CB 1.598 39.822 38.460 -0.394 0.000 1.234 200 Y HN 0.698 nan 8.280 nan 0.000 0.461 201 H N -1.264 117.672 119.070 -0.222 0.000 3.037 201 H HA 0.307 4.863 4.556 -0.000 0.000 0.336 201 H C -1.607 173.735 175.328 0.022 0.000 1.323 201 H CA -1.190 54.834 56.048 -0.039 0.000 1.159 201 H CB 1.165 30.770 29.762 -0.261 0.000 1.882 201 H HN 0.828 nan 8.280 nan 0.000 0.535 202 D N -0.142 120.393 120.400 0.225 0.000 2.419 202 D HA -0.093 4.547 4.640 -0.000 0.000 0.236 202 D C -0.239 176.117 176.300 0.094 0.000 1.165 202 D CA 0.485 54.550 54.000 0.108 0.000 0.882 202 D CB 0.508 41.378 40.800 0.116 0.000 1.201 202 D HN 0.779 nan 8.370 nan 0.000 0.443 203 H N 1.288 120.291 119.070 -0.111 0.000 3.007 203 H HA 0.255 4.810 4.556 -0.000 0.000 0.251 203 H C -0.609 174.554 175.328 -0.275 0.000 1.188 203 H CA -0.178 55.768 56.048 -0.170 0.000 1.017 203 H CB 0.326 29.957 29.762 -0.218 0.000 1.805 203 H HN 0.461 nan 8.280 nan 0.000 0.659 204 A N 1.568 124.303 122.820 -0.142 0.000 2.540 204 A HA 0.115 4.435 4.320 -0.000 0.000 0.239 204 A C 0.762 178.226 177.584 -0.200 0.000 1.061 204 A CA -0.187 51.657 52.037 -0.322 0.000 0.758 204 A CB -0.199 18.572 19.000 -0.381 0.000 0.991 204 A HN 0.448 nan 8.150 nan 0.000 0.502 205 M N 3.320 122.796 119.600 -0.206 0.000 2.284 205 M HA 0.077 4.557 4.480 -0.000 0.000 0.351 205 M C 0.790 177.106 176.300 0.028 0.000 1.443 205 M CA 1.053 56.286 55.300 -0.113 0.000 1.031 205 M CB -0.753 31.819 32.600 -0.046 0.000 1.893 205 M HN 0.838 nan 8.290 nan 0.000 0.456 206 N N 2.534 121.177 118.700 -0.095 0.000 2.961 206 N HA -0.263 4.476 4.740 -0.000 0.000 0.223 206 N C 0.401 175.879 175.510 -0.054 0.000 0.866 206 N CA 2.065 55.076 53.050 -0.064 0.000 1.030 206 N CB -1.716 36.790 38.487 0.032 0.000 1.037 206 N HN 0.877 nan 8.380 nan 0.000 0.608 207 I N -4.455 116.121 120.570 0.010 0.000 4.147 207 I HA 0.285 4.455 4.170 -0.000 0.000 0.329 207 I C 1.334 177.437 176.117 -0.022 0.000 1.424 207 I CA -0.155 61.198 61.300 0.089 0.000 1.127 207 I CB 0.365 38.568 38.000 0.338 0.000 1.128 207 I HN -0.244 nan 8.210 nan 0.000 0.417 208 T N 2.568 117.040 114.554 -0.136 0.000 2.685 208 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 208 T C 1.992 176.562 174.700 -0.217 0.000 1.034 208 T CA 2.534 64.538 62.100 -0.160 0.000 1.149 208 T CB -0.436 68.273 68.868 -0.265 0.000 0.860 208 T HN 0.606 nan 8.240 nan 0.000 0.449 209 R N -0.245 120.001 120.500 -0.422 0.000 2.159 209 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 209 R C 1.935 177.939 176.300 -0.493 0.000 1.131 209 R CA 1.451 57.234 56.100 -0.528 0.000 0.982 209 R CB -0.397 29.438 30.300 -0.776 0.000 0.868 209 R HN 0.441 nan 8.270 nan 0.000 0.453 210 W N 0.982 122.203 121.300 -0.131 0.000 2.601 210 W HA 0.178 4.838 4.660 -0.001 0.000 0.292 210 W C 1.725 178.252 176.519 0.013 0.000 1.153 210 W CA -0.170 57.131 57.345 -0.074 0.000 1.448 210 W CB -1.090 28.373 29.460 0.006 0.000 1.113 210 W HN 0.111 nan 8.180 nan 0.000 0.548 211 N N 0.804 119.692 118.700 0.313 0.000 2.149 211 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 211 N C 1.745 177.340 175.510 0.141 0.000 1.019 211 N CA 1.419 54.620 53.050 0.251 0.000 0.857 211 N CB -0.821 37.832 38.487 0.277 0.000 0.997 211 N HN -0.114 nan 8.380 nan 0.000 0.426 212 V N 1.032 121.004 119.914 0.097 0.000 2.379 212 V HA -0.114 4.006 4.120 -0.000 0.000 0.245 212 V C 2.276 178.426 176.094 0.093 0.000 1.044 212 V CA 1.201 63.571 62.300 0.118 0.000 1.036 212 V CB -0.409 31.450 31.823 0.060 0.000 0.664 212 V HN 0.316 nan 8.190 nan 0.000 0.453 213 M N 0.376 119.977 119.600 0.003 0.000 2.267 213 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 213 M C 1.954 178.227 176.300 -0.045 0.000 1.063 213 M CA 1.964 57.235 55.300 -0.047 0.000 1.090 213 M CB -0.249 32.294 32.600 -0.094 0.000 1.392 213 M HN 0.322 nan 8.290 nan 0.000 0.422 214 A N -0.460 122.308 122.820 -0.087 0.000 2.121 214 A HA 0.182 4.501 4.320 -0.000 0.000 0.218 214 A C 1.727 179.254 177.584 -0.096 0.000 1.154 214 A CA 1.252 53.142 52.037 -0.245 0.000 0.679 214 A CB -0.738 17.968 19.000 -0.490 0.000 0.795 214 A HN 0.810 nan 8.150 nan 0.000 0.458 215 G N -2.131 106.723 108.800 0.090 0.000 2.198 215 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.156 215 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.156 215 G C 0.105 175.073 174.900 0.113 0.000 1.012 215 G CA -0.102 45.091 45.100 0.154 0.000 0.692 215 G HN 0.327 nan 8.290 nan 0.000 0.492 216 L N 2.030 123.355 121.223 0.169 0.000 2.391 216 L HA 0.516 4.856 4.340 -0.000 0.000 0.249 216 L C 0.258 177.399 176.870 0.453 0.000 1.308 216 L CA -0.659 54.208 54.840 0.045 0.000 1.209 216 L CB -0.800 41.213 42.059 -0.077 0.000 1.401 216 L HN 0.433 nan 8.230 nan 0.000 0.416 217 Y N -1.054 119.445 120.300 0.332 0.000 2.552 217 Y HA 0.904 5.454 4.550 -0.000 0.000 0.337 217 Y C -0.175 175.760 175.900 0.059 0.000 1.094 217 Y CA -1.049 57.215 58.100 0.273 0.000 1.028 217 Y CB 1.509 40.175 38.460 0.343 0.000 1.321 217 Y HN 0.096 nan 8.280 nan 0.000 0.456 218 G N 0.157 108.720 108.800 -0.395 0.000 2.606 218 G HA2 0.512 4.471 3.960 -0.000 0.000 0.300 218 G HA3 0.512 4.471 3.960 -0.000 0.000 0.300 218 G C -1.858 172.800 174.900 -0.404 0.000 1.360 218 G CA -0.653 44.100 45.100 -0.579 0.000 0.783 218 G HN 0.775 nan 8.290 nan 0.000 0.484 219 T N -1.429 113.125 114.554 0.001 0.000 2.930 219 T HA 0.674 5.024 4.350 -0.000 0.000 0.290 219 T C -2.026 172.960 174.700 0.475 0.000 1.052 219 T CA -0.473 61.797 62.100 0.283 0.000 1.017 219 T CB 1.509 70.509 68.868 0.220 0.000 1.137 219 T HN 0.791 nan 8.240 nan 0.000 0.511 220 Y N 3.191 123.685 120.300 0.322 0.000 2.332 220 Y HA 0.606 5.155 4.550 -0.000 0.000 0.325 220 Y C -1.876 174.106 175.900 0.136 0.000 1.054 220 Y CA -1.035 57.234 58.100 0.282 0.000 1.119 220 Y CB 0.956 39.637 38.460 0.368 0.000 1.168 220 Y HN 0.550 nan 8.280 nan 0.000 0.439 221 L N 7.129 128.358 121.223 0.010 0.000 2.313 221 L HA 0.673 5.013 4.340 -0.000 0.000 0.283 221 L C -0.820 175.943 176.870 -0.179 0.000 1.013 221 L CA -1.333 53.473 54.840 -0.056 0.000 0.816 221 L CB 1.691 43.727 42.059 -0.039 0.000 1.236 221 L HN 0.354 nan 8.230 nan 0.000 0.419 222 V N 3.790 123.571 119.914 -0.223 0.000 2.427 222 V HA 0.496 4.616 4.120 -0.000 0.000 0.286 222 V C 0.123 176.128 176.094 -0.148 0.000 1.034 222 V CA -0.752 61.412 62.300 -0.227 0.000 0.893 222 V CB 1.526 33.120 31.823 -0.381 0.000 0.982 222 V HN 0.646 nan 8.190 nan 0.000 0.452 223 R N 3.383 123.821 120.500 -0.103 0.000 2.668 223 R HA 0.706 5.046 4.340 -0.000 0.000 0.279 223 R C -0.898 175.373 176.300 -0.048 0.000 0.976 223 R CA -0.693 55.367 56.100 -0.067 0.000 0.978 223 R CB 1.972 32.239 30.300 -0.056 0.000 1.133 223 R HN 0.997 nan 8.270 nan 0.000 0.484 224 D N -1.479 118.900 120.400 -0.035 0.000 2.677 224 D HA 0.183 4.823 4.640 -0.000 0.000 0.298 224 D C -0.270 176.020 176.300 -0.018 0.000 1.250 224 D CA -0.562 53.424 54.000 -0.024 0.000 0.888 224 D CB 0.470 41.256 40.800 -0.023 0.000 1.397 224 D HN 0.125 nan 8.370 nan 0.000 0.461 225 D N -0.351 120.041 120.400 -0.013 0.000 2.149 225 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 225 D C 1.403 177.697 176.300 -0.009 0.000 0.972 225 D CA 0.982 54.975 54.000 -0.011 0.000 0.835 225 D CB 0.112 40.907 40.800 -0.009 0.000 0.966 225 D HN 0.659 nan 8.370 nan 0.000 0.476 226 E N 0.883 121.079 120.200 -0.007 0.000 2.051 226 E HA -0.212 4.137 4.350 -0.000 0.000 0.192 226 E C 1.933 178.532 176.600 -0.001 0.000 0.991 226 E CA 0.969 57.368 56.400 -0.001 0.000 0.799 226 E CB 0.095 29.799 29.700 0.006 0.000 0.748 226 E HN 0.254 nan 8.360 nan 0.000 0.449 227 E N 0.068 120.267 120.200 -0.002 0.000 2.072 227 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 227 E C 1.591 178.189 176.600 -0.004 0.000 0.985 227 E CA 1.407 57.807 56.400 -0.001 0.000 0.801 227 E CB 0.034 29.730 29.700 -0.007 0.000 0.750 227 E HN 0.241 nan 8.360 nan 0.000 0.452 228 D N 0.363 120.758 120.400 -0.009 0.000 2.149 228 D HA -0.154 4.485 4.640 -0.000 0.000 0.198 228 D C 1.744 178.039 176.300 -0.007 0.000 0.990 228 D CA 1.338 55.332 54.000 -0.010 0.000 0.839 228 D CB -0.325 40.467 40.800 -0.013 0.000 0.948 228 D HN 0.299 nan 8.370 nan 0.000 0.460 229 A N 0.201 123.015 122.820 -0.009 0.000 2.125 229 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 229 A C 2.137 179.710 177.584 -0.017 0.000 1.156 229 A CA 0.575 52.604 52.037 -0.014 0.000 0.671 229 A CB -0.574 18.416 19.000 -0.016 0.000 0.794 229 A HN 0.242 nan 8.150 nan 0.000 0.459 230 L N -0.850 120.370 121.223 -0.006 0.000 2.599 230 L HA 0.118 4.458 4.340 -0.000 0.000 0.230 230 L C 1.564 178.458 176.870 0.041 0.000 1.141 230 L CA 0.389 55.229 54.840 -0.001 0.000 0.877 230 L CB -0.388 41.683 42.059 0.019 0.000 1.009 230 L HN 0.535 nan 8.230 nan 0.000 0.447 231 G N 1.404 110.225 108.800 0.035 0.000 2.366 231 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.299 231 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.299 231 G C 0.182 175.166 174.900 0.141 0.000 1.020 231 G CA -0.016 45.122 45.100 0.063 0.000 1.026 231 G HN 0.257 nan 8.290 nan 0.000 0.512 232 L N -0.038 121.221 121.223 0.059 0.000 2.452 232 L HA 0.288 4.627 4.340 -0.000 0.000 0.267 232 L C -1.248 175.508 176.870 -0.190 0.000 1.188 232 L CA -1.915 52.885 54.840 -0.067 0.000 0.821 232 L CB 0.220 42.245 42.059 -0.057 0.000 1.102 232 L HN 0.014 nan 8.230 nan 0.000 0.470 233 P HA 0.010 nan 4.420 nan 0.000 0.264 233 P C -0.685 176.517 177.300 -0.162 0.000 1.183 233 P CA 0.125 63.054 63.100 -0.284 0.000 0.763 233 P CB 0.702 32.202 31.700 -0.334 0.000 0.807 234 S N 0.878 116.503 115.700 -0.125 0.000 2.840 234 S HA 0.808 5.278 4.470 -0.000 0.000 0.307 234 S C 0.450 175.015 174.600 -0.058 0.000 1.180 234 S CA -0.069 58.088 58.200 -0.072 0.000 0.846 234 S CB 1.140 64.309 63.200 -0.051 0.000 1.233 234 S HN 0.804 nan 8.310 nan 0.000 0.548 235 G N 1.430 110.214 108.800 -0.027 0.000 2.574 235 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.286 235 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.286 235 G C 0.308 175.213 174.900 0.008 0.000 1.212 235 G CA 0.830 45.924 45.100 -0.010 0.000 0.979 235 G HN 0.850 nan 8.290 nan 0.000 0.557 236 D N 0.801 121.212 120.400 0.018 0.000 2.191 236 D HA -0.147 4.492 4.640 -0.000 0.000 0.195 236 D C 2.350 178.700 176.300 0.084 0.000 1.003 236 D CA 1.645 55.681 54.000 0.062 0.000 0.867 236 D CB -0.141 40.696 40.800 0.062 0.000 0.926 236 D HN 0.473 nan 8.370 nan 0.000 0.450 237 R N 0.677 121.133 120.500 -0.074 0.000 2.320 237 R HA 0.125 4.464 4.340 -0.000 0.000 0.211 237 R C 0.549 176.811 176.300 -0.063 0.000 0.931 237 R CA 0.011 55.917 56.100 -0.324 0.000 1.071 237 R CB 0.167 30.101 30.300 -0.611 0.000 1.025 237 R HN 0.328 nan 8.270 nan 0.000 0.495 238 E N 1.337 121.561 120.200 0.040 0.000 2.155 238 E HA 0.361 4.711 4.350 -0.000 0.000 0.264 238 E C -1.072 175.602 176.600 0.124 0.000 0.886 238 E CA -0.391 56.054 56.400 0.076 0.000 0.752 238 E CB 0.971 30.685 29.700 0.023 0.000 1.133 238 E HN 0.027 nan 8.360 nan 0.000 0.414 239 I N 6.274 126.941 120.570 0.163 0.000 2.439 239 I HA 0.326 4.496 4.170 -0.000 0.000 0.285 239 I C -2.375 173.817 176.117 0.125 0.000 1.021 239 I CA -2.566 58.828 61.300 0.157 0.000 1.091 239 I CB 1.900 40.028 38.000 0.213 0.000 1.242 239 I HN 0.359 nan 8.210 nan 0.000 0.439 240 P HA 0.274 nan 4.420 nan 0.000 0.276 240 P C -0.979 176.369 177.300 0.079 0.000 1.230 240 P CA -0.101 63.050 63.100 0.084 0.000 0.776 240 P CB 0.625 32.373 31.700 0.079 0.000 0.888 241 L N 4.106 125.369 121.223 0.067 0.000 2.316 241 L HA 0.383 4.723 4.340 -0.000 0.000 0.280 241 L C -0.475 176.399 176.870 0.008 0.000 1.006 241 L CA -0.688 54.178 54.840 0.044 0.000 0.836 241 L CB 0.925 43.014 42.059 0.050 0.000 1.221 241 L HN 0.156 nan 8.230 nan 0.000 0.418 242 L N 5.663 126.903 121.223 0.030 0.000 2.272 242 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 242 L C 0.137 177.007 176.870 -0.000 0.000 1.045 242 L CA -0.056 54.800 54.840 0.027 0.000 0.842 242 L CB 0.887 43.069 42.059 0.205 0.000 1.224 242 L HN 0.464 nan 8.230 nan 0.000 0.430 243 I N 0.527 121.019 120.570 -0.131 0.000 2.437 243 I HA 0.983 5.153 4.170 -0.000 0.000 0.298 243 I C -0.225 175.781 176.117 -0.185 0.000 0.984 243 I CA -0.575 60.614 61.300 -0.184 0.000 1.214 243 I CB 1.894 39.667 38.000 -0.377 0.000 1.365 243 I HN 0.593 nan 8.210 nan 0.000 0.469 244 A N 4.398 127.168 122.820 -0.084 0.000 2.513 244 A HA 0.458 4.778 4.320 -0.000 0.000 0.296 244 A C -1.246 176.436 177.584 0.163 0.000 1.052 244 A CA -0.749 51.288 52.037 0.000 0.000 0.714 244 A CB 1.170 20.061 19.000 -0.183 0.000 1.279 244 A HN 0.875 nan 8.150 nan 0.000 0.397 245 D N 1.945 122.536 120.400 0.317 0.000 2.341 245 D HA 0.562 5.202 4.640 -0.000 0.000 0.245 245 D C -0.186 176.332 176.300 0.365 0.000 1.106 245 D CA -0.140 54.071 54.000 0.352 0.000 0.905 245 D CB 0.822 41.806 40.800 0.307 0.000 1.202 245 D HN 0.331 nan 8.370 nan 0.000 0.426 246 R N 1.279 121.998 120.500 0.364 0.000 2.837 246 R HA 0.496 4.836 4.340 -0.000 0.000 0.271 246 R C -0.583 176.029 176.300 0.520 0.000 0.993 246 R CA -0.879 55.443 56.100 0.370 0.000 0.931 246 R CB 1.352 31.753 30.300 0.168 0.000 1.206 246 R HN 0.547 nan 8.270 nan 0.000 0.474 247 N N 0.647 119.661 118.700 0.524 0.000 2.402 247 N HA 0.600 5.339 4.740 -0.000 0.000 0.294 247 N C -1.107 174.545 175.510 0.236 0.000 1.203 247 N CA -0.522 52.796 53.050 0.447 0.000 0.838 247 N CB 1.393 40.138 38.487 0.430 0.000 1.306 247 N HN 0.376 nan 8.380 nan 0.000 0.510 248 L N 0.432 121.770 121.223 0.192 0.000 2.354 248 L HA 0.451 4.791 4.340 -0.000 0.000 0.264 248 L C -0.091 176.818 176.870 0.065 0.000 1.008 248 L CA -1.004 53.855 54.840 0.033 0.000 0.819 248 L CB 1.888 43.854 42.059 -0.156 0.000 1.339 248 L HN 0.439 nan 8.230 nan 0.000 0.420 249 D N 0.505 120.923 120.400 0.030 0.000 2.423 249 D HA 0.524 5.164 4.640 -0.000 0.000 0.255 249 D C -0.653 175.662 176.300 0.026 0.000 1.174 249 D CA 0.126 54.149 54.000 0.039 0.000 1.008 249 D CB 1.668 42.484 40.800 0.027 0.000 1.101 249 D HN 0.635 nan 8.370 nan 0.000 0.516 250 T N -1.348 113.225 114.554 0.032 0.000 2.909 250 T HA 0.422 4.771 4.350 -0.000 0.000 0.299 250 T C -0.529 174.184 174.700 0.023 0.000 1.073 250 T CA -1.051 61.065 62.100 0.026 0.000 0.999 250 T CB 1.504 70.396 68.868 0.039 0.000 1.098 250 T HN 0.076 nan 8.240 nan 0.000 0.477 251 D N 1.262 121.672 120.400 0.017 0.000 2.360 251 D HA 0.104 4.743 4.640 -0.000 0.000 0.242 251 D C 1.703 178.014 176.300 0.018 0.000 1.184 251 D CA -0.440 53.569 54.000 0.015 0.000 0.930 251 D CB 0.815 41.622 40.800 0.011 0.000 1.161 251 D HN 0.878 nan 8.370 nan 0.000 0.447 252 E N 0.449 120.659 120.200 0.016 0.000 2.209 252 E HA -0.248 4.101 4.350 -0.000 0.000 0.196 252 E C 0.643 177.252 176.600 0.016 0.000 0.993 252 E CA 1.139 57.548 56.400 0.016 0.000 0.819 252 E CB -0.121 29.587 29.700 0.013 0.000 0.745 252 E HN 0.409 nan 8.360 nan 0.000 0.477 253 D N 0.200 120.609 120.400 0.014 0.000 2.336 253 D HA 0.035 4.675 4.640 -0.000 0.000 0.229 253 D C 1.289 177.600 176.300 0.018 0.000 1.061 253 D CA 0.629 54.637 54.000 0.014 0.000 0.875 253 D CB 0.162 40.969 40.800 0.012 0.000 0.904 253 D HN 0.377 nan 8.370 nan 0.000 0.525 254 G N 0.461 109.274 108.800 0.022 0.000 2.162 254 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.260 254 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.260 254 G C 0.286 175.203 174.900 0.028 0.000 0.976 254 G CA -0.153 44.965 45.100 0.029 0.000 0.655 254 G HN 0.377 nan 8.290 nan 0.000 0.533 255 R N -0.233 120.279 120.500 0.019 0.000 2.539 255 R HA 0.433 4.773 4.340 -0.000 0.000 0.275 255 R C 0.943 177.246 176.300 0.005 0.000 1.077 255 R CA -0.549 55.557 56.100 0.011 0.000 1.097 255 R CB 0.549 30.852 30.300 0.005 0.000 1.018 255 R HN 0.304 nan 8.270 nan 0.000 0.483 256 L N 3.479 124.696 121.223 -0.011 0.000 2.410 256 L HA -0.016 4.324 4.340 -0.000 0.000 0.273 256 L C 1.229 178.075 176.870 -0.039 0.000 1.152 256 L CA 0.152 54.969 54.840 -0.039 0.000 0.855 256 L CB 0.292 42.289 42.059 -0.102 0.000 1.129 256 L HN 0.695 nan 8.230 nan 0.000 0.463 257 N N 1.084 119.765 118.700 -0.030 0.000 2.200 257 N HA 0.126 4.866 4.740 -0.000 0.000 0.224 257 N C 0.867 176.371 175.510 -0.009 0.000 1.179 257 N CA 0.243 53.286 53.050 -0.012 0.000 0.877 257 N CB 1.052 39.542 38.487 0.005 0.000 1.072 257 N HN 0.737 nan 8.380 nan 0.000 0.519 258 G N 0.471 109.244 108.800 -0.045 0.000 2.189 258 G HA2 -0.346 3.613 3.960 -0.000 0.000 0.267 258 G HA3 -0.346 3.613 3.960 -0.000 0.000 0.267 258 G C -0.165 174.718 174.900 -0.029 0.000 0.975 258 G CA 0.153 45.228 45.100 -0.042 0.000 0.644 258 G HN 0.470 nan 8.290 nan 0.000 0.537 259 R N 0.028 120.515 120.500 -0.022 0.000 2.308 259 R HA 0.480 4.820 4.340 -0.000 0.000 0.305 259 R C 0.724 176.996 176.300 -0.047 0.000 1.053 259 R CA -0.707 55.373 56.100 -0.034 0.000 0.957 259 R CB 0.884 31.174 30.300 -0.016 0.000 1.022 259 R HN 0.255 nan 8.270 nan 0.000 0.461 260 L N 4.161 125.335 121.223 -0.081 0.000 2.534 260 L HA -0.005 4.335 4.340 -0.000 0.000 0.271 260 L C -0.139 176.716 176.870 -0.024 0.000 1.178 260 L CA 0.049 54.848 54.840 -0.068 0.000 0.907 260 L CB 0.066 42.050 42.059 -0.125 0.000 1.164 260 L HN 0.316 nan 8.230 nan 0.000 0.482 261 L N 4.912 126.157 121.223 0.036 0.000 2.342 261 L HA 0.281 4.621 4.340 -0.000 0.000 0.276 261 L C -0.114 176.846 176.870 0.150 0.000 0.997 261 L CA -0.161 54.736 54.840 0.097 0.000 0.838 261 L CB 0.976 43.106 42.059 0.119 0.000 1.224 261 L HN 0.415 nan 8.230 nan 0.000 0.416 262 H N 5.880 124.983 119.070 0.055 0.000 2.969 262 H HA 0.219 4.775 4.556 -0.000 0.000 0.269 262 H C -0.955 174.541 175.328 0.280 0.000 1.223 262 H CA -0.087 56.009 56.048 0.080 0.000 1.400 262 H CB 0.496 30.380 29.762 0.203 0.000 1.500 262 H HN 0.633 nan 8.280 nan 0.000 0.486 263 K N 4.893 125.462 120.400 0.282 0.000 2.483 263 K HA 0.217 4.537 4.320 -0.000 0.000 0.256 263 K C -0.869 175.816 176.600 0.141 0.000 0.961 263 K CA -0.592 55.827 56.287 0.220 0.000 0.873 263 K CB 0.826 33.441 32.500 0.192 0.000 1.107 263 K HN 0.617 nan 8.250 nan 0.000 0.432 264 T N -0.765 113.871 114.554 0.136 0.000 2.949 264 T HA 0.509 4.859 4.350 -0.000 0.000 0.287 264 T C -0.246 174.516 174.700 0.103 0.000 1.034 264 T CA -0.787 61.374 62.100 0.103 0.000 1.018 264 T CB 1.673 70.627 68.868 0.144 0.000 1.135 264 T HN 0.152 nan 8.240 nan 0.000 0.532 265 V N 1.839 121.808 119.914 0.092 0.000 2.417 265 V HA 0.383 4.502 4.120 -0.000 0.000 0.291 265 V C 0.157 176.302 176.094 0.084 0.000 1.024 265 V CA -0.982 61.363 62.300 0.075 0.000 0.861 265 V CB 1.148 33.001 31.823 0.049 0.000 0.985 265 V HN 0.835 nan 8.190 nan 0.000 0.436 266 I N 5.268 125.884 120.570 0.076 0.000 2.578 266 I HA 0.024 4.193 4.170 -0.000 0.000 0.286 266 I C 1.178 177.328 176.117 0.055 0.000 1.126 266 I CA 0.297 61.641 61.300 0.073 0.000 1.380 266 I CB 1.046 39.085 38.000 0.064 0.000 1.408 266 I HN 0.651 nan 8.210 nan 0.000 0.532 267 V N 2.217 122.166 119.914 0.058 0.000 3.650 267 V HA 0.178 4.298 4.120 -0.000 0.000 0.271 267 V C 0.517 176.629 176.094 0.032 0.000 1.281 267 V CA 0.201 62.526 62.300 0.043 0.000 1.120 267 V CB -0.389 31.463 31.823 0.047 0.000 0.856 267 V HN 0.849 nan 8.190 nan 0.000 0.443 268 Q N 0.332 120.151 119.800 0.032 0.000 2.309 268 Q HA 0.306 4.646 4.340 -0.000 0.000 0.254 268 Q C 0.381 176.395 176.000 0.024 0.000 0.938 268 Q CA -0.378 55.437 55.803 0.020 0.000 0.789 268 Q CB 2.100 30.841 28.738 0.005 0.000 1.313 268 Q HN 0.248 nan 8.270 nan 0.000 0.438 269 Q N 1.392 121.206 119.800 0.024 0.000 2.119 269 Q HA 0.091 4.431 4.340 -0.000 0.000 0.201 269 Q C -0.267 175.749 176.000 0.026 0.000 0.972 269 Q CA 1.254 57.074 55.803 0.028 0.000 0.847 269 Q CB 0.475 29.227 28.738 0.024 0.000 0.903 269 Q HN 0.354 nan 8.270 nan 0.000 0.433 270 S N 0.218 115.929 115.700 0.019 0.000 2.776 270 S HA 0.375 4.845 4.470 -0.000 0.000 0.284 270 S C -1.332 173.274 174.600 0.010 0.000 1.160 270 S CA -0.869 57.342 58.200 0.018 0.000 1.051 270 S CB 0.244 63.454 63.200 0.018 0.000 1.037 270 S HN 0.455 nan 8.310 nan 0.000 0.485 271 N N 5.333 124.035 118.700 0.004 0.000 2.497 271 N HA 0.287 5.027 4.740 -0.000 0.000 0.268 271 N C -1.576 173.935 175.510 0.002 0.000 1.171 271 N CA -1.292 51.753 53.050 -0.008 0.000 0.948 271 N CB 0.950 39.417 38.487 -0.034 0.000 1.069 271 N HN 0.218 nan 8.380 nan 0.000 0.460 272 P HA -0.227 nan 4.420 nan 0.000 0.217 272 P C 0.254 177.561 177.300 0.012 0.000 1.162 272 P CA 1.887 64.992 63.100 0.008 0.000 0.901 272 P CB 0.108 31.814 31.700 0.009 0.000 0.793 273 E N -1.145 119.063 120.200 0.014 0.000 2.158 273 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 273 E C 0.859 177.473 176.600 0.024 0.000 0.982 273 E CA 1.031 57.444 56.400 0.021 0.000 0.823 273 E CB -0.515 29.202 29.700 0.028 0.000 0.766 273 E HN 0.376 nan 8.360 nan 0.000 0.468 274 T N -3.030 111.538 114.554 0.023 0.000 2.932 274 T HA 0.457 4.807 4.350 -0.000 0.000 0.289 274 T C 1.131 175.847 174.700 0.027 0.000 1.039 274 T CA -0.428 61.690 62.100 0.031 0.000 1.024 274 T CB 1.818 70.714 68.868 0.046 0.000 1.090 274 T HN -0.009 nan 8.240 nan 0.000 0.496 275 G N 0.398 109.216 108.800 0.031 0.000 2.586 275 G HA2 0.052 4.012 3.960 -0.000 0.000 0.215 275 G HA3 0.052 4.012 3.960 -0.000 0.000 0.215 275 G C 0.430 175.349 174.900 0.031 0.000 1.128 275 G CA 0.272 45.389 45.100 0.028 0.000 0.774 275 G HN 0.677 nan 8.290 nan 0.000 0.543 276 K N 0.618 121.041 120.400 0.037 0.000 2.156 276 K HA 0.367 4.687 4.320 -0.000 0.000 0.250 276 K C -2.547 174.081 176.600 0.046 0.000 0.955 276 K CA -2.125 54.193 56.287 0.050 0.000 0.855 276 K CB 1.947 34.492 32.500 0.074 0.000 1.101 276 K HN -0.111 nan 8.250 nan 0.000 0.434 277 P HA 0.071 nan 4.420 nan 0.000 0.275 277 P C -0.805 176.542 177.300 0.079 0.000 1.228 277 P CA -0.326 62.811 63.100 0.061 0.000 0.786 277 P CB 0.812 32.555 31.700 0.071 0.000 0.927 278 V N 2.662 122.611 119.914 0.058 0.000 2.378 278 V HA 0.347 4.467 4.120 -0.000 0.000 0.288 278 V C 0.568 176.727 176.094 0.108 0.000 1.016 278 V CA -0.265 62.075 62.300 0.066 0.000 0.840 278 V CB 1.161 32.961 31.823 -0.039 0.000 0.994 278 V HN 0.756 nan 8.190 nan 0.000 0.431 279 S N 5.462 121.262 115.700 0.168 0.000 2.607 279 S HA 0.824 5.294 4.470 -0.000 0.000 0.303 279 S C -0.250 174.464 174.600 0.190 0.000 1.086 279 S CA -0.845 57.451 58.200 0.160 0.000 0.995 279 S CB 2.040 65.337 63.200 0.162 0.000 1.084 279 S HN 0.759 nan 8.310 nan 0.000 0.507 280 I N -1.580 119.091 120.570 0.167 0.000 3.211 280 I HA 0.555 4.725 4.170 -0.000 0.000 0.297 280 I C -2.690 173.505 176.117 0.130 0.000 1.095 280 I CA -2.508 58.906 61.300 0.190 0.000 1.239 280 I CB -0.387 37.730 38.000 0.195 0.000 1.455 280 I HN 0.323 nan 8.210 nan 0.000 0.630 281 P HA 0.028 nan 4.420 nan 0.000 0.271 281 P C -0.910 176.159 177.300 -0.384 0.000 1.238 281 P CA -0.008 62.948 63.100 -0.240 0.000 0.794 281 P CB 0.198 31.610 31.700 -0.481 0.000 0.959 282 F N 1.652 121.241 119.950 -0.602 0.000 2.456 282 F HA 0.463 4.990 4.527 -0.000 0.000 0.358 282 F C -0.888 174.382 175.800 -0.883 0.000 1.095 282 F CA 0.287 57.921 58.000 -0.610 0.000 1.216 282 F CB -0.145 38.502 39.000 -0.588 0.000 1.125 282 F HN 0.077 nan 8.300 nan 0.000 0.549 283 F N 3.409 122.555 119.950 -1.339 0.000 2.591 283 F HA 0.701 5.228 4.527 -0.000 0.000 0.309 283 F C 0.252 175.271 175.800 -1.302 0.000 1.098 283 F CA -0.837 56.520 58.000 -1.071 0.000 0.937 283 F CB 1.998 40.688 39.000 -0.516 0.000 1.250 283 F HN 0.683 nan 8.300 nan 0.000 0.447 284 G N 1.018 109.441 108.800 -0.629 0.000 2.672 284 G HA2 0.613 4.573 3.960 -0.000 0.000 0.292 284 G HA3 0.613 4.573 3.960 -0.000 0.000 0.292 284 G C -2.802 172.061 174.900 -0.062 0.000 1.375 284 G CA -1.578 43.383 45.100 -0.232 0.000 0.890 284 G HN 0.279 nan 8.290 nan 0.000 0.476 285 P HA 0.126 nan 4.420 nan 0.000 0.245 285 P C -0.590 176.648 177.300 -0.103 0.000 1.203 285 P CA 0.438 63.415 63.100 -0.205 0.000 0.792 285 P CB 0.196 31.643 31.700 -0.422 0.000 0.997 286 Y N -0.540 119.910 120.300 0.249 0.000 2.360 286 Y HA 0.426 4.976 4.550 -0.000 0.000 0.337 286 Y C 0.792 176.756 175.900 0.106 0.000 1.039 286 Y CA -0.699 57.448 58.100 0.078 0.000 1.109 286 Y CB 1.022 39.323 38.460 -0.264 0.000 1.201 286 Y HN -0.386 nan 8.280 nan 0.000 0.458 287 T N 2.471 117.195 114.554 0.284 0.000 2.749 287 T HA 0.320 4.670 4.350 -0.000 0.000 0.287 287 T C -0.042 174.698 174.700 0.067 0.000 0.970 287 T CA -0.872 61.409 62.100 0.302 0.000 0.980 287 T CB 0.337 69.512 68.868 0.511 0.000 0.924 287 T HN 0.701 nan 8.240 nan 0.000 0.456 288 T N 0.411 115.000 114.554 0.058 0.000 2.837 288 T HA 0.655 5.005 4.350 -0.000 0.000 0.285 288 T C -0.275 174.440 174.700 0.025 0.000 0.984 288 T CA -0.747 61.363 62.100 0.016 0.000 1.049 288 T CB 0.869 69.759 68.868 0.037 0.000 0.947 288 T HN 0.266 nan 8.240 nan 0.000 0.472 289 V N 3.539 123.469 119.914 0.027 0.000 2.407 289 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 289 V C -0.098 176.015 176.094 0.031 0.000 1.018 289 V CA -1.172 61.139 62.300 0.017 0.000 0.842 289 V CB 0.601 32.426 31.823 0.004 0.000 0.996 289 V HN 1.029 nan 8.190 nan 0.000 0.426 290 N N 3.757 122.494 118.700 0.063 0.000 2.725 290 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 290 N C 1.189 176.729 175.510 0.050 0.000 1.031 290 N CA 1.673 54.761 53.050 0.063 0.000 0.720 290 N CB -1.137 37.369 38.487 0.031 0.000 0.930 290 N HN 1.624 nan 8.380 nan 0.000 0.543 291 G N -1.307 107.547 108.800 0.089 0.000 2.155 291 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 291 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 291 G C 0.042 174.953 174.900 0.019 0.000 0.983 291 G CA 0.684 45.823 45.100 0.064 0.000 0.676 291 G HN 0.623 nan 8.290 nan 0.000 0.528 292 R N -0.656 119.846 120.500 0.003 0.000 2.621 292 R HA 0.576 4.916 4.340 -0.000 0.000 0.292 292 R C 0.362 176.636 176.300 -0.044 0.000 0.969 292 R CA -1.106 54.979 56.100 -0.026 0.000 0.887 292 R CB 1.557 31.834 30.300 -0.038 0.000 1.180 292 R HN 0.213 nan 8.270 nan 0.000 0.450 293 I N 3.482 123.984 120.570 -0.113 0.000 2.662 293 I HA -0.108 4.062 4.170 -0.000 0.000 0.285 293 I C 0.091 176.154 176.117 -0.091 0.000 1.161 293 I CA 0.325 61.445 61.300 -0.299 0.000 1.415 293 I CB 0.139 37.824 38.000 -0.525 0.000 1.385 293 I HN 0.602 nan 8.210 nan 0.000 0.552 294 W N 5.659 127.010 121.300 0.084 0.000 6.880 294 W HA -0.159 4.501 4.660 -0.000 0.000 0.423 294 W C -2.271 174.343 176.519 0.159 0.000 1.695 294 W CA -0.919 56.473 57.345 0.079 0.000 1.126 294 W CB -2.331 27.042 29.460 -0.145 0.000 2.925 294 W HN 0.338 nan 8.180 nan 0.000 1.530 295 P HA 0.357 nan 4.420 nan 0.000 0.277 295 P C -0.551 176.867 177.300 0.197 0.000 1.271 295 P CA 0.016 63.193 63.100 0.130 0.000 0.795 295 P CB 1.044 32.718 31.700 -0.043 0.000 1.101 296 Y N -2.087 118.242 120.300 0.049 0.000 2.485 296 Y HA 0.800 5.349 4.550 -0.000 0.000 0.345 296 Y C -1.323 174.488 175.900 -0.149 0.000 0.998 296 Y CA -1.829 56.209 58.100 -0.104 0.000 1.059 296 Y CB 1.103 39.520 38.460 -0.073 0.000 1.234 296 Y HN 0.525 nan 8.280 nan 0.000 0.461 297 A N 2.916 125.665 122.820 -0.118 0.000 2.330 297 A HA 0.504 4.823 4.320 -0.000 0.000 0.313 297 A C -1.349 176.244 177.584 0.016 0.000 1.124 297 A CA -0.854 51.115 52.037 -0.112 0.000 0.774 297 A CB 0.541 19.437 19.000 -0.173 0.000 1.198 297 A HN 0.772 nan 8.150 nan 0.000 0.465 298 D N 1.939 122.378 120.400 0.065 0.000 2.312 298 D HA 0.415 5.055 4.640 -0.000 0.000 0.252 298 D C 0.271 176.548 176.300 -0.038 0.000 1.150 298 D CA 0.445 54.464 54.000 0.032 0.000 0.870 298 D CB 1.539 42.385 40.800 0.076 0.000 1.153 298 D HN 0.551 nan 8.370 nan 0.000 0.457 299 V N -0.452 119.375 119.914 -0.144 0.000 3.102 299 V HA 0.573 4.693 4.120 -0.000 0.000 0.312 299 V C -0.314 175.734 176.094 -0.077 0.000 1.135 299 V CA -1.034 61.140 62.300 -0.210 0.000 1.022 299 V CB 2.597 33.952 31.823 -0.781 0.000 1.056 299 V HN 0.169 nan 8.190 nan 0.000 0.436 300 D N 1.583 122.085 120.400 0.170 0.000 2.348 300 D HA 0.268 4.907 4.640 -0.000 0.000 0.249 300 D C -0.306 176.107 176.300 0.189 0.000 1.110 300 D CA 0.055 54.153 54.000 0.163 0.000 0.967 300 D CB 1.240 42.160 40.800 0.201 0.000 1.139 300 D HN 0.937 nan 8.370 nan 0.000 0.466 301 D N -0.140 120.339 120.400 0.131 0.000 2.885 301 D HA 0.214 4.854 4.640 -0.000 0.000 0.234 301 D C 0.449 176.863 176.300 0.190 0.000 1.129 301 D CA -0.494 53.596 54.000 0.149 0.000 0.991 301 D CB -0.302 40.546 40.800 0.080 0.000 1.137 301 D HN 0.323 nan 8.370 nan 0.000 0.459 302 G N -0.750 108.232 108.800 0.303 0.000 3.086 302 G HA2 0.479 4.439 3.960 -0.000 0.000 0.282 302 G HA3 0.479 4.439 3.960 -0.000 0.000 0.282 302 G C -1.529 173.530 174.900 0.265 0.000 1.343 302 G CA -1.236 44.012 45.100 0.247 0.000 0.895 302 G HN 0.175 nan 8.290 nan 0.000 0.557 303 W N -0.184 121.134 121.300 0.031 0.000 2.351 303 W HA 0.642 5.302 4.660 -0.000 0.000 0.311 303 W C -0.905 175.506 176.519 -0.180 0.000 1.168 303 W CA -0.007 57.290 57.345 -0.080 0.000 1.200 303 W CB 0.978 30.272 29.460 -0.276 0.000 1.221 303 W HN 0.273 nan 8.180 nan 0.000 0.519 304 Y N 1.718 122.072 120.300 0.090 0.000 2.509 304 Y HA 0.489 5.039 4.550 -0.000 0.000 0.341 304 Y C 0.119 176.030 175.900 0.019 0.000 1.038 304 Y CA -1.618 56.524 58.100 0.069 0.000 1.089 304 Y CB 1.850 40.397 38.460 0.145 0.000 1.241 304 Y HN 0.256 nan 8.280 nan 0.000 0.468 305 R N 3.363 123.939 120.500 0.126 0.000 2.387 305 R HA 0.636 4.975 4.340 -0.000 0.000 0.314 305 R C -2.037 174.349 176.300 0.143 0.000 0.958 305 R CA -0.478 55.673 56.100 0.086 0.000 0.846 305 R CB 0.572 30.870 30.300 -0.002 0.000 1.147 305 R HN 0.751 nan 8.270 nan 0.000 0.447 306 L N 5.163 126.469 121.223 0.138 0.000 2.313 306 L HA 0.544 4.884 4.340 -0.000 0.000 0.283 306 L C -0.019 176.923 176.870 0.119 0.000 1.013 306 L CA -1.114 53.816 54.840 0.149 0.000 0.816 306 L CB 1.630 43.788 42.059 0.164 0.000 1.236 306 L HN 0.447 nan 8.230 nan 0.000 0.419 307 R N 3.947 124.510 120.500 0.104 0.000 2.369 307 R HA 0.372 4.712 4.340 -0.000 0.000 0.310 307 R C -0.812 175.535 176.300 0.079 0.000 1.141 307 R CA -0.675 55.476 56.100 0.085 0.000 1.116 307 R CB 0.786 31.127 30.300 0.067 0.000 1.135 307 R HN 0.408 nan 8.270 nan 0.000 0.529 308 L N 2.679 123.964 121.223 0.103 0.000 2.264 308 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 308 L C -0.696 176.210 176.870 0.061 0.000 1.044 308 L CA -0.556 54.337 54.840 0.088 0.000 0.807 308 L CB 1.647 43.777 42.059 0.117 0.000 1.192 308 L HN 0.232 nan 8.230 nan 0.000 0.425 309 V N 5.794 125.656 119.914 -0.086 0.000 2.604 309 V HA 0.502 4.622 4.120 -0.000 0.000 0.305 309 V C -0.652 175.234 176.094 -0.346 0.000 1.043 309 V CA -0.747 61.379 62.300 -0.289 0.000 0.888 309 V CB 1.889 33.363 31.823 -0.582 0.000 0.995 309 V HN 0.909 nan 8.190 nan 0.000 0.429 310 N N 5.326 123.822 118.700 -0.340 0.000 2.415 310 N HA 0.363 5.102 4.740 -0.000 0.000 0.250 310 N C 0.435 175.631 175.510 -0.524 0.000 1.127 310 N CA 0.428 53.301 53.050 -0.295 0.000 0.945 310 N CB 1.543 39.982 38.487 -0.081 0.000 1.196 310 N HN 0.806 nan 8.380 nan 0.000 0.499 311 A N 2.471 124.978 122.820 -0.521 0.000 2.337 311 A HA 0.189 4.508 4.320 -0.000 0.000 0.227 311 A C 0.630 178.042 177.584 -0.286 0.000 1.259 311 A CA -0.328 51.352 52.037 -0.596 0.000 0.870 311 A CB -0.166 18.434 19.000 -0.667 0.000 0.927 311 A HN 0.538 nan 8.150 nan 0.000 0.497 312 S N 0.575 116.201 115.700 -0.124 0.000 2.584 312 S HA 0.068 4.538 4.470 -0.000 0.000 0.270 312 S C 1.066 175.679 174.600 0.022 0.000 1.346 312 S CA -0.325 57.882 58.200 0.012 0.000 1.018 312 S CB 0.536 63.826 63.200 0.149 0.000 0.899 312 S HN 0.561 nan 8.310 nan 0.000 0.542 313 N N 1.359 120.079 118.700 0.033 0.000 2.120 313 N HA -0.042 4.698 4.740 -0.000 0.000 0.188 313 N C 1.115 176.599 175.510 -0.044 0.000 1.024 313 N CA 1.577 54.625 53.050 -0.004 0.000 0.852 313 N CB -0.106 38.387 38.487 0.010 0.000 1.003 313 N HN 0.689 nan 8.380 nan 0.000 0.424 314 A N -1.315 121.441 122.820 -0.107 0.000 2.414 314 A HA 0.209 4.529 4.320 -0.000 0.000 0.165 314 A C 0.627 178.177 177.584 -0.058 0.000 1.718 314 A CA -0.418 51.500 52.037 -0.198 0.000 1.268 314 A CB 0.096 18.756 19.000 -0.568 0.000 1.547 314 A HN 0.114 nan 8.150 nan 0.000 0.462 315 R N 0.900 121.379 120.500 -0.035 0.000 2.537 315 R HA 0.440 4.780 4.340 -0.000 0.000 0.280 315 R C -1.007 175.296 176.300 0.005 0.000 1.058 315 R CA 0.112 56.251 56.100 0.067 0.000 1.057 315 R CB 0.114 30.366 30.300 -0.080 0.000 0.973 315 R HN 0.356 nan 8.270 nan 0.000 0.438 316 I N 5.622 126.181 120.570 -0.019 0.000 2.307 316 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 316 I C -0.613 175.439 176.117 -0.108 0.000 1.021 316 I CA -0.655 60.641 61.300 -0.008 0.000 1.224 316 I CB 0.754 38.765 38.000 0.020 0.000 1.376 316 I HN 0.578 nan 8.210 nan 0.000 0.470 317 Y N 4.981 125.280 120.300 -0.002 0.000 2.359 317 Y HA 0.131 4.681 4.550 -0.000 0.000 0.334 317 Y C 0.270 176.146 175.900 -0.040 0.000 1.058 317 Y CA -0.019 58.070 58.100 -0.019 0.000 1.244 317 Y CB 0.385 38.826 38.460 -0.032 0.000 1.187 317 Y HN 0.493 nan 8.280 nan 0.000 0.510 318 N N 4.584 123.328 118.700 0.073 0.000 2.699 318 N HA 0.334 5.074 4.740 -0.000 0.000 0.232 318 N C -1.380 174.164 175.510 0.058 0.000 1.027 318 N CA -0.335 52.742 53.050 0.045 0.000 0.920 318 N CB 0.545 39.039 38.487 0.011 0.000 1.148 318 N HN 0.417 nan 8.380 nan 0.000 0.509 319 L N 1.718 122.977 121.223 0.060 0.000 2.326 319 L HA 0.526 4.866 4.340 -0.000 0.000 0.278 319 L C -0.275 176.607 176.870 0.020 0.000 1.092 319 L CA -0.786 54.082 54.840 0.046 0.000 0.810 319 L CB 0.828 42.901 42.059 0.024 0.000 1.153 319 L HN 0.114 nan 8.230 nan 0.000 0.439 320 V N 3.956 123.763 119.914 -0.178 0.000 2.588 320 V HA 0.310 4.429 4.120 -0.000 0.000 0.304 320 V C -0.348 175.359 176.094 -0.646 0.000 1.042 320 V CA -0.671 61.234 62.300 -0.658 0.000 0.877 320 V CB 2.275 33.817 31.823 -0.469 0.000 0.996 320 V HN 0.439 nan 8.190 nan 0.000 0.425 321 L N 7.013 127.605 121.223 -1.051 0.000 2.281 321 L HA 0.628 4.968 4.340 -0.000 0.000 0.285 321 L C -0.262 176.366 176.870 -0.402 0.000 1.074 321 L CA 0.480 55.054 54.840 -0.442 0.000 0.817 321 L CB 0.340 42.304 42.059 -0.158 0.000 1.168 321 L HN 0.661 nan 8.230 nan 0.000 0.434 322 I N 1.026 121.474 120.570 -0.203 0.000 3.002 322 I HA 0.681 4.851 4.170 -0.000 0.000 0.310 322 I C -0.827 175.246 176.117 -0.073 0.000 1.087 322 I CA -0.926 60.289 61.300 -0.142 0.000 1.017 322 I CB 2.047 39.971 38.000 -0.125 0.000 1.226 322 I HN 0.573 nan 8.210 nan 0.000 0.443 323 D N 1.938 122.304 120.400 -0.056 0.000 2.539 323 D HA 0.195 4.835 4.640 -0.000 0.000 0.280 323 D C 0.548 176.822 176.300 -0.043 0.000 1.208 323 D CA -0.236 53.740 54.000 -0.039 0.000 1.088 323 D CB 0.494 41.278 40.800 -0.026 0.000 1.149 323 D HN 0.641 nan 8.370 nan 0.000 0.596 324 E N -0.974 119.203 120.200 -0.039 0.000 2.265 324 E HA -0.077 4.273 4.350 -0.000 0.000 0.196 324 E C 0.356 176.938 176.600 -0.030 0.000 0.996 324 E CA 1.134 57.511 56.400 -0.038 0.000 0.832 324 E CB -0.102 29.576 29.700 -0.036 0.000 0.756 324 E HN 0.351 nan 8.360 nan 0.000 0.491 325 D N -0.290 120.092 120.400 -0.029 0.000 2.342 325 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 325 D C -0.467 175.816 176.300 -0.029 0.000 1.101 325 D CA 0.086 54.071 54.000 -0.025 0.000 0.837 325 D CB 0.293 41.080 40.800 -0.022 0.000 0.938 325 D HN -0.049 nan 8.370 nan 0.000 0.508 326 D N -0.198 120.181 120.400 -0.036 0.000 3.079 326 D HA -0.221 4.419 4.640 -0.000 0.000 0.214 326 D C 0.402 176.672 176.300 -0.050 0.000 1.145 326 D CA 0.524 54.497 54.000 -0.045 0.000 0.958 326 D CB -1.122 39.655 40.800 -0.039 0.000 1.117 326 D HN 0.327 nan 8.370 nan 0.000 0.416 327 R N 0.828 121.303 120.500 -0.043 0.000 2.340 327 R HA 0.365 4.705 4.340 -0.000 0.000 0.300 327 R C -2.536 173.732 176.300 -0.053 0.000 1.069 327 R CA -1.339 54.738 56.100 -0.038 0.000 0.984 327 R CB 0.762 31.049 30.300 -0.023 0.000 1.003 327 R HN -0.176 nan 8.270 nan 0.000 0.459 328 P HA -0.039 nan 4.420 nan 0.000 0.268 328 P C -1.052 176.249 177.300 0.001 0.000 1.204 328 P CA -0.119 62.930 63.100 -0.084 0.000 0.768 328 P CB 0.760 32.447 31.700 -0.021 0.000 0.842 329 V N 6.113 126.035 119.914 0.012 0.000 2.318 329 V HA 0.285 4.404 4.120 -0.000 0.000 0.271 329 V C -1.645 174.546 176.094 0.162 0.000 1.030 329 V CA -1.564 60.773 62.300 0.062 0.000 0.844 329 V CB 0.743 32.579 31.823 0.022 0.000 1.015 329 V HN 0.584 nan 8.190 nan 0.000 0.460 330 P HA 0.383 nan 4.420 nan 0.000 0.281 330 P C 0.716 177.990 177.300 -0.043 0.000 1.264 330 P CA 0.230 63.351 63.100 0.034 0.000 0.824 330 P CB 1.549 33.258 31.700 0.015 0.000 1.092 331 G N -0.350 108.381 108.800 -0.114 0.000 2.148 331 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.254 331 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.254 331 G C 0.468 175.260 174.900 -0.180 0.000 0.981 331 G CA 0.205 45.230 45.100 -0.125 0.000 0.670 331 G HN 0.434 nan 8.290 nan 0.000 0.528 332 V N -1.028 118.736 119.914 -0.250 0.000 3.219 332 V HA 0.277 4.396 4.120 -0.000 0.000 0.240 332 V C 1.178 177.061 176.094 -0.352 0.000 1.222 332 V CA 1.163 63.292 62.300 -0.284 0.000 1.181 332 V CB 1.180 32.863 31.823 -0.233 0.000 0.941 332 V HN 0.217 nan 8.190 nan 0.000 0.471 333 V N 1.168 120.856 119.914 -0.378 0.000 2.435 333 V HA 0.508 4.628 4.120 -0.000 0.000 0.290 333 V C -1.010 174.812 176.094 -0.454 0.000 1.030 333 V CA -0.489 61.648 62.300 -0.271 0.000 0.881 333 V CB 1.157 32.899 31.823 -0.135 0.000 0.983 333 V HN 0.575 nan 8.190 nan 0.000 0.445 334 H N 2.238 121.308 119.070 -0.001 0.000 2.689 334 H HA 0.444 5.000 4.556 -0.000 0.000 0.346 334 H C -0.433 174.927 175.328 0.053 0.000 1.037 334 H CA -0.449 55.623 56.048 0.040 0.000 1.234 334 H CB 1.367 31.211 29.762 0.137 0.000 1.572 334 H HN 0.637 nan 8.280 nan 0.000 0.524 335 Q N 2.972 122.852 119.800 0.133 0.000 2.286 335 Q HA 0.269 4.609 4.340 -0.000 0.000 0.257 335 Q C 0.335 176.402 176.000 0.112 0.000 0.941 335 Q CA -0.292 55.588 55.803 0.129 0.000 0.912 335 Q CB 0.692 29.508 28.738 0.129 0.000 1.192 335 Q HN 0.889 nan 8.270 nan 0.000 0.410 336 I N 0.153 120.783 120.570 0.100 0.000 4.227 336 I HA 0.563 4.733 4.170 -0.000 0.000 0.334 336 I C 0.420 176.561 176.117 0.039 0.000 1.341 336 I CA -0.300 61.039 61.300 0.065 0.000 1.123 336 I CB 1.185 39.228 38.000 0.070 0.000 1.097 336 I HN 0.464 nan 8.210 nan 0.000 0.399 337 G N 0.381 109.208 108.800 0.046 0.000 2.660 337 G HA2 0.671 4.631 3.960 -0.000 0.000 0.290 337 G HA3 0.671 4.631 3.960 -0.000 0.000 0.290 337 G C -1.150 173.749 174.900 -0.003 0.000 1.432 337 G CA 0.085 45.203 45.100 0.029 0.000 0.807 337 G HN 0.297 nan 8.290 nan 0.000 0.485 338 S N -1.062 114.630 115.700 -0.013 0.000 2.998 338 S HA 0.521 4.991 4.470 -0.000 0.000 0.321 338 S C 0.339 174.916 174.600 -0.039 0.000 1.171 338 S CA -0.115 58.024 58.200 -0.102 0.000 0.882 338 S CB 1.198 64.354 63.200 -0.074 0.000 1.301 338 S HN 0.324 nan 8.310 nan 0.000 0.629 339 D N 1.449 121.818 120.400 -0.053 0.000 2.154 339 D HA -0.050 4.590 4.640 -0.000 0.000 0.190 339 D C 1.708 178.123 176.300 0.191 0.000 1.003 339 D CA 2.221 56.250 54.000 0.049 0.000 0.849 339 D CB -0.914 39.913 40.800 0.045 0.000 0.942 339 D HN 0.762 nan 8.370 nan 0.000 0.446 340 G N -1.428 107.526 108.800 0.257 0.000 3.126 340 G HA2 0.474 4.434 3.960 -0.000 0.000 0.224 340 G HA3 0.474 4.434 3.960 -0.000 0.000 0.224 340 G C 0.654 175.751 174.900 0.328 0.000 1.142 340 G CA 0.496 45.813 45.100 0.362 0.000 0.759 340 G HN 0.666 nan 8.290 nan 0.000 0.550 341 G N -0.430 108.518 108.800 0.246 0.000 2.302 341 G HA2 0.074 4.034 3.960 -0.000 0.000 0.264 341 G HA3 0.074 4.034 3.960 -0.000 0.000 0.264 341 G C -0.762 174.234 174.900 0.160 0.000 1.335 341 G CA -1.031 44.174 45.100 0.175 0.000 0.982 341 G HN 0.373 nan 8.290 nan 0.000 0.473 342 L N 1.174 122.473 121.223 0.127 0.000 2.615 342 L HA 0.145 4.484 4.340 -0.000 0.000 0.284 342 L C 1.044 177.940 176.870 0.043 0.000 1.237 342 L CA 0.007 54.895 54.840 0.080 0.000 0.905 342 L CB -0.066 42.034 42.059 0.069 0.000 1.149 342 L HN 0.369 nan 8.230 nan 0.000 0.499 343 L N 5.909 127.105 121.223 -0.045 0.000 2.464 343 L HA 0.110 4.450 4.340 -0.000 0.000 0.264 343 L C -1.013 175.689 176.870 -0.281 0.000 1.199 343 L CA -1.439 53.281 54.840 -0.199 0.000 0.818 343 L CB 0.176 42.150 42.059 -0.141 0.000 1.102 343 L HN 0.485 nan 8.230 nan 0.000 0.473 344 P HA -0.085 nan 4.420 nan 0.000 0.217 344 P C -0.122 177.070 177.300 -0.181 0.000 1.150 344 P CA 1.451 64.299 63.100 -0.420 0.000 0.832 344 P CB 0.295 31.610 31.700 -0.641 0.000 0.787 345 R N -1.118 119.282 120.500 -0.166 0.000 2.771 345 R HA 0.504 4.844 4.340 -0.000 0.000 0.274 345 R C -2.862 173.409 176.300 -0.049 0.000 0.987 345 R CA -2.604 53.447 56.100 -0.082 0.000 0.908 345 R CB 0.817 31.079 30.300 -0.063 0.000 1.213 345 R HN -0.146 nan 8.270 nan 0.000 0.468 346 P HA 0.045 nan 4.420 nan 0.000 0.268 346 P C -0.740 176.586 177.300 0.044 0.000 1.205 346 P CA -0.240 62.884 63.100 0.040 0.000 0.771 346 P CB 0.601 32.343 31.700 0.070 0.000 0.858 347 V N 5.736 125.682 119.914 0.053 0.000 2.357 347 V HA 0.319 4.438 4.120 -0.000 0.000 0.284 347 V C -2.016 174.085 176.094 0.012 0.000 1.018 347 V CA -1.980 60.334 62.300 0.022 0.000 0.841 347 V CB 1.374 33.202 31.823 0.007 0.000 0.991 347 V HN 0.553 nan 8.190 nan 0.000 0.437 348 P HA 0.201 nan 4.420 nan 0.000 0.276 348 P C -0.702 176.460 177.300 -0.231 0.000 1.230 348 P CA -0.083 62.936 63.100 -0.134 0.000 0.776 348 P CB 1.297 32.938 31.700 -0.099 0.000 0.888 349 V N 3.776 123.468 119.914 -0.370 0.000 2.294 349 V HA 0.171 4.290 4.120 -0.000 0.000 0.272 349 V C 0.589 176.186 176.094 -0.829 0.000 1.027 349 V CA 0.102 62.058 62.300 -0.572 0.000 0.823 349 V CB 0.774 32.242 31.823 -0.593 0.000 1.030 349 V HN 0.467 nan 8.190 nan 0.000 0.457 350 D N 3.356 123.379 120.400 -0.629 0.000 2.398 350 D HA 0.209 4.849 4.640 -0.000 0.000 0.210 350 D C 0.799 176.957 176.300 -0.236 0.000 1.094 350 D CA 0.016 53.779 54.000 -0.395 0.000 0.839 350 D CB 0.299 40.985 40.800 -0.190 0.000 0.963 350 D HN 0.557 nan 8.370 nan 0.000 0.506 351 F N 0.997 120.914 119.950 -0.054 0.000 3.074 351 F HA -0.288 4.238 4.527 -0.000 0.000 0.289 351 F C 0.700 176.479 175.800 -0.034 0.000 0.863 351 F CA 0.191 58.165 58.000 -0.043 0.000 1.121 351 F CB -1.837 37.136 39.000 -0.044 0.000 1.169 351 F HN 0.080 nan 8.300 nan 0.000 0.570 352 D N -0.969 119.458 120.400 0.045 0.000 2.443 352 D HA 0.264 4.904 4.640 -0.000 0.000 0.249 352 D C 1.062 177.371 176.300 0.016 0.000 1.218 352 D CA 0.412 54.429 54.000 0.028 0.000 1.108 352 D CB -0.061 40.738 40.800 -0.002 0.000 1.197 352 D HN -0.090 nan 8.370 nan 0.000 0.600 353 D N -1.257 119.144 120.400 0.002 0.000 2.201 353 D HA -0.002 4.638 4.640 -0.000 0.000 0.209 353 D C 1.995 178.291 176.300 -0.006 0.000 0.961 353 D CA 1.614 55.615 54.000 0.002 0.000 0.861 353 D CB -0.644 40.156 40.800 0.001 0.000 0.997 353 D HN 0.416 nan 8.370 nan 0.000 0.486 354 T N 0.307 114.851 114.554 -0.018 0.000 2.778 354 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 354 T C 0.704 175.385 174.700 -0.032 0.000 1.050 354 T CA 0.787 62.873 62.100 -0.024 0.000 1.137 354 T CB 0.184 69.032 68.868 -0.032 0.000 0.860 354 T HN -0.044 nan 8.240 nan 0.000 0.468 355 L N 1.607 122.800 121.223 -0.049 0.000 2.487 355 L HA 0.339 4.678 4.340 -0.000 0.000 0.261 355 L C -2.253 174.593 176.870 -0.041 0.000 1.223 355 L CA -1.759 53.045 54.840 -0.059 0.000 0.883 355 L CB 1.925 43.915 42.059 -0.115 0.000 1.065 355 L HN -0.219 nan 8.230 nan 0.000 0.488 356 P HA 0.024 nan 4.420 nan 0.000 0.223 356 P C 0.112 177.535 177.300 0.205 0.000 1.151 356 P CA 0.738 63.897 63.100 0.098 0.000 0.787 356 P CB 0.891 32.628 31.700 0.061 0.000 0.788 357 V N 0.096 120.103 119.914 0.155 0.000 2.891 357 V HA 0.229 4.349 4.120 -0.000 0.000 0.304 357 V C -0.905 175.257 176.094 0.115 0.000 1.171 357 V CA -0.979 61.430 62.300 0.181 0.000 0.943 357 V CB 2.902 34.777 31.823 0.086 0.000 1.037 357 V HN -0.230 nan 8.190 nan 0.000 0.427 358 L N 4.361 125.668 121.223 0.140 0.000 2.282 358 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 358 L C 0.475 177.286 176.870 -0.098 0.000 1.075 358 L CA 0.757 55.584 54.840 -0.022 0.000 0.839 358 L CB 1.177 43.196 42.059 -0.067 0.000 1.219 358 L HN 0.673 nan 8.230 nan 0.000 0.434 359 S N 4.485 120.153 115.700 -0.054 0.000 2.400 359 S HA 0.661 5.130 4.470 -0.000 0.000 0.295 359 S C 0.128 174.716 174.600 -0.019 0.000 1.113 359 S CA -0.325 57.871 58.200 -0.008 0.000 1.064 359 S CB 0.102 63.333 63.200 0.052 0.000 0.990 359 S HN 0.787 nan 8.310 nan 0.000 0.502 360 A N 4.931 127.719 122.820 -0.053 0.000 2.511 360 A HA 0.738 5.057 4.320 -0.000 0.000 0.340 360 A C 0.523 178.199 177.584 0.153 0.000 1.396 360 A CA -0.552 51.496 52.037 0.019 0.000 0.887 360 A CB 0.019 18.872 19.000 -0.245 0.000 1.145 360 A HN 1.077 nan 8.150 nan 0.000 0.497 361 A N 3.487 126.413 122.820 0.177 0.000 2.366 361 A HA 0.622 4.942 4.320 -0.000 0.000 0.250 361 A C -2.446 175.171 177.584 0.055 0.000 1.099 361 A CA -1.242 50.862 52.037 0.112 0.000 0.794 361 A CB -0.453 18.608 19.000 0.103 0.000 1.056 361 A HN 0.512 nan 8.150 nan 0.000 0.499 362 P HA 0.262 nan 4.420 nan 0.000 0.263 362 P C 0.475 177.625 177.300 -0.251 0.000 1.195 362 P CA 2.041 65.108 63.100 -0.055 0.000 0.762 362 P CB 0.914 32.672 31.700 0.096 0.000 0.799 363 A N 2.660 125.206 122.820 -0.457 0.000 3.526 363 A HA -0.225 4.095 4.320 -0.000 0.000 0.254 363 A C 0.548 177.832 177.584 -0.500 0.000 1.109 363 A CA 0.581 52.239 52.037 -0.633 0.000 1.395 363 A CB -2.389 16.054 19.000 -0.928 0.000 1.057 363 A HN 0.550 nan 8.150 nan 0.000 0.901 364 E N -0.188 119.833 120.200 -0.298 0.000 2.383 364 E HA 0.444 4.794 4.350 -0.000 0.000 0.264 364 E C 0.267 176.652 176.600 -0.357 0.000 1.050 364 E CA -0.172 56.057 56.400 -0.284 0.000 0.896 364 E CB 0.392 30.026 29.700 -0.111 0.000 0.982 364 E HN 0.500 nan 8.360 nan 0.000 0.424 365 R N 1.405 121.587 120.500 -0.529 0.000 2.664 365 R HA 0.500 4.839 4.340 -0.000 0.000 0.286 365 R C -1.070 174.771 176.300 -0.765 0.000 0.967 365 R CA -0.497 55.356 56.100 -0.411 0.000 0.933 365 R CB 1.137 31.323 30.300 -0.190 0.000 1.146 365 R HN 0.356 nan 8.270 nan 0.000 0.468 366 F N 0.349 120.280 119.950 -0.032 0.000 2.579 366 F HA 0.216 4.742 4.527 -0.000 0.000 0.325 366 F C -0.341 175.467 175.800 0.013 0.000 1.162 366 F CA -1.029 56.971 58.000 -0.000 0.000 0.946 366 F CB 1.812 40.812 39.000 0.001 0.000 1.211 366 F HN 0.296 nan 8.300 nan 0.000 0.447 367 D N 4.786 125.267 120.400 0.136 0.000 2.365 367 D HA 0.418 5.057 4.640 -0.000 0.000 0.237 367 D C -0.882 175.496 176.300 0.131 0.000 1.190 367 D CA 0.171 54.235 54.000 0.106 0.000 0.867 367 D CB 0.627 41.464 40.800 0.062 0.000 1.050 367 D HN 0.450 nan 8.370 nan 0.000 0.491 368 L N 3.805 125.107 121.223 0.132 0.000 2.346 368 L HA 0.460 4.800 4.340 -0.000 0.000 0.276 368 L C -0.108 176.834 176.870 0.120 0.000 1.006 368 L CA -0.932 53.985 54.840 0.129 0.000 0.817 368 L CB 1.972 44.099 42.059 0.114 0.000 1.272 368 L HN 0.159 nan 8.230 nan 0.000 0.421 369 L N 4.103 125.425 121.223 0.165 0.000 2.295 369 L HA 0.605 4.945 4.340 -0.000 0.000 0.285 369 L C -0.446 176.531 176.870 0.179 0.000 1.035 369 L CA -0.888 54.083 54.840 0.218 0.000 0.806 369 L CB 1.892 44.150 42.059 0.332 0.000 1.214 369 L HN 0.401 nan 8.230 nan 0.000 0.426 370 V N -0.710 119.201 119.914 -0.005 0.000 2.531 370 V HA 0.486 4.606 4.120 -0.000 0.000 0.301 370 V C -0.879 174.802 176.094 -0.689 0.000 1.034 370 V CA -0.693 61.376 62.300 -0.384 0.000 0.865 370 V CB 1.973 33.397 31.823 -0.666 0.000 0.995 370 V HN 0.658 nan 8.190 nan 0.000 0.424 371 D N 3.898 123.777 120.400 -0.868 0.000 2.443 371 D HA 0.417 5.057 4.640 -0.000 0.000 0.221 371 D C -0.120 175.713 176.300 -0.777 0.000 1.097 371 D CA -0.542 52.779 54.000 -1.132 0.000 0.865 371 D CB 0.860 40.863 40.800 -1.328 0.000 1.034 371 D HN 0.508 nan 8.370 nan 0.000 0.511 372 F N 2.218 121.977 119.950 -0.318 0.000 2.660 372 F HA 0.294 4.821 4.527 -0.000 0.000 0.302 372 F C 2.115 177.829 175.800 -0.144 0.000 1.103 372 F CA -0.327 57.558 58.000 -0.192 0.000 1.340 372 F CB 0.061 38.986 39.000 -0.125 0.000 1.048 372 F HN 0.252 nan 8.300 nan 0.000 0.551 373 R N 0.518 120.967 120.500 -0.086 0.000 2.103 373 R HA -0.154 4.185 4.340 -0.000 0.000 0.242 373 R C 2.067 178.371 176.300 0.006 0.000 1.142 373 R CA 1.527 57.614 56.100 -0.022 0.000 0.960 373 R CB -0.462 29.808 30.300 -0.049 0.000 0.858 373 R HN 0.254 nan 8.270 nan 0.000 0.439 374 A N 0.128 122.936 122.820 -0.020 0.000 2.278 374 A HA 0.132 4.452 4.320 -0.000 0.000 0.212 374 A C 1.066 178.659 177.584 0.013 0.000 1.213 374 A CA 0.275 52.311 52.037 -0.002 0.000 0.840 374 A CB 0.189 19.181 19.000 -0.015 0.000 0.866 374 A HN 0.162 nan 8.150 nan 0.000 0.489 375 L N -0.029 121.216 121.223 0.038 0.000 3.218 375 L HA 0.283 4.623 4.340 -0.000 0.000 0.279 375 L C 1.056 177.937 176.870 0.018 0.000 1.287 375 L CA -0.536 54.329 54.840 0.041 0.000 1.024 375 L CB 0.656 42.771 42.059 0.093 0.000 1.409 375 L HN 0.309 nan 8.230 nan 0.000 0.580 376 G N -0.580 108.229 108.800 0.015 0.000 2.380 376 G HA2 0.335 4.295 3.960 -0.000 0.000 0.242 376 G HA3 0.335 4.295 3.960 -0.000 0.000 0.242 376 G C 1.111 176.001 174.900 -0.016 0.000 1.298 376 G CA 0.559 45.658 45.100 -0.002 0.000 0.878 376 G HN 0.497 nan 8.290 nan 0.000 0.542 377 G N 1.285 110.065 108.800 -0.032 0.000 2.160 377 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 377 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 377 G C 0.578 175.451 174.900 -0.045 0.000 1.008 377 G CA 0.409 45.486 45.100 -0.038 0.000 0.724 377 G HN 0.770 nan 8.290 nan 0.000 0.514 378 R N -0.780 119.688 120.500 -0.053 0.000 2.787 378 R HA 0.694 5.033 4.340 -0.000 0.000 0.271 378 R C 0.105 176.359 176.300 -0.078 0.000 0.993 378 R CA -0.941 55.127 56.100 -0.052 0.000 0.993 378 R CB 1.152 31.435 30.300 -0.028 0.000 1.155 378 R HN 0.260 nan 8.270 nan 0.000 0.486 379 R N 1.177 121.632 120.500 -0.076 0.000 2.387 379 R HA 0.526 4.865 4.340 -0.000 0.000 0.314 379 R C -0.604 175.651 176.300 -0.075 0.000 0.958 379 R CA -0.370 55.668 56.100 -0.102 0.000 0.846 379 R CB 1.221 31.442 30.300 -0.132 0.000 1.147 379 R HN 0.346 nan 8.270 nan 0.000 0.447 380 L N 2.976 124.176 121.223 -0.039 0.000 2.354 380 L HA 0.646 4.986 4.340 -0.000 0.000 0.269 380 L C -0.155 176.712 176.870 -0.005 0.000 1.005 380 L CA -1.010 53.844 54.840 0.024 0.000 0.819 380 L CB 2.147 44.289 42.059 0.138 0.000 1.311 380 L HN 0.411 nan 8.230 nan 0.000 0.423 381 R N 1.717 122.190 120.500 -0.045 0.000 2.562 381 R HA 0.582 4.921 4.340 -0.000 0.000 0.298 381 R C -1.290 175.008 176.300 -0.004 0.000 0.961 381 R CA -0.930 55.114 56.100 -0.093 0.000 0.881 381 R CB 2.176 32.388 30.300 -0.146 0.000 1.159 381 R HN 0.266 nan 8.270 nan 0.000 0.450 382 L N 4.005 125.250 121.223 0.037 0.000 2.305 382 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 382 L C -0.547 176.340 176.870 0.029 0.000 1.085 382 L CA -0.183 54.684 54.840 0.046 0.000 0.813 382 L CB 1.565 43.693 42.059 0.115 0.000 1.157 382 L HN 0.536 nan 8.230 nan 0.000 0.436 383 V N 0.720 120.632 119.914 -0.003 0.000 3.078 383 V HA 0.630 4.750 4.120 -0.000 0.000 0.311 383 V C -0.953 175.171 176.094 0.049 0.000 1.138 383 V CA -1.011 61.304 62.300 0.025 0.000 1.007 383 V CB 2.024 33.838 31.823 -0.014 0.000 1.045 383 V HN 0.668 nan 8.190 nan 0.000 0.432 384 D N 2.176 122.638 120.400 0.103 0.000 2.280 384 D HA 0.283 4.923 4.640 -0.000 0.000 0.243 384 D C -0.234 176.075 176.300 0.015 0.000 1.129 384 D CA -0.023 54.046 54.000 0.115 0.000 0.848 384 D CB 1.505 42.413 40.800 0.179 0.000 1.107 384 D HN 0.845 nan 8.370 nan 0.000 0.471 385 K N 2.972 123.368 120.400 -0.007 0.000 2.285 385 K HA 0.506 4.826 4.320 -0.000 0.000 0.286 385 K C 0.337 176.907 176.600 -0.051 0.000 1.072 385 K CA -0.719 55.547 56.287 -0.034 0.000 0.913 385 K CB 0.686 33.169 32.500 -0.029 0.000 1.067 385 K HN 0.461 nan 8.250 nan 0.000 0.479 386 G N 4.053 112.813 108.800 -0.067 0.000 2.569 386 G HA2 0.111 4.071 3.960 -0.000 0.000 0.249 386 G HA3 0.111 4.071 3.960 -0.000 0.000 0.249 386 G C -1.528 173.328 174.900 -0.073 0.000 1.216 386 G CA -1.265 43.783 45.100 -0.086 0.000 0.845 386 G HN 0.602 nan 8.290 nan 0.000 0.568 387 P HA 0.003 nan 4.420 nan 0.000 0.225 387 P C 1.430 178.696 177.300 -0.057 0.000 1.156 387 P CA 1.166 64.229 63.100 -0.063 0.000 0.787 387 P CB 0.382 32.040 31.700 -0.070 0.000 0.802 388 G N -1.013 107.748 108.800 -0.065 0.000 3.088 388 G HA2 0.426 4.386 3.960 -0.000 0.000 0.217 388 G HA3 0.426 4.386 3.960 -0.000 0.000 0.217 388 G C 0.398 175.267 174.900 -0.053 0.000 1.159 388 G CA 0.438 45.503 45.100 -0.058 0.000 0.760 388 G HN 0.510 nan 8.290 nan 0.000 0.550 389 A N -0.202 122.586 122.820 -0.054 0.000 2.587 389 A HA 0.805 5.124 4.320 -0.000 0.000 0.293 389 A C -3.000 174.557 177.584 -0.045 0.000 1.087 389 A CA -1.349 50.658 52.037 -0.050 0.000 0.692 389 A CB 1.246 20.212 19.000 -0.057 0.000 1.291 389 A HN -0.019 nan 8.150 nan 0.000 0.407 390 P HA 0.316 nan 4.420 nan 0.000 0.268 390 P C 0.087 177.360 177.300 -0.046 0.000 1.208 390 P CA 0.304 63.382 63.100 -0.038 0.000 0.777 390 P CB 0.429 32.109 31.700 -0.034 0.000 0.875 391 A N 2.319 125.108 122.820 -0.051 0.000 2.565 391 A HA 0.371 4.691 4.320 -0.000 0.000 0.237 391 A C 1.609 179.156 177.584 -0.062 0.000 1.053 391 A CA 0.880 52.877 52.037 -0.065 0.000 0.755 391 A CB -1.501 17.441 19.000 -0.096 0.000 0.980 391 A HN 0.914 nan 8.150 nan 0.000 0.506 392 G N 1.816 110.582 108.800 -0.058 0.000 2.199 392 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.254 392 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.254 392 G C 0.423 175.295 174.900 -0.047 0.000 0.982 392 G CA 0.604 45.675 45.100 -0.048 0.000 0.632 392 G HN 1.282 nan 8.290 nan 0.000 0.529 393 T N 3.289 117.812 114.554 -0.051 0.000 2.767 393 T HA 0.550 4.900 4.350 -0.000 0.000 0.284 393 T C -2.247 172.414 174.700 -0.066 0.000 0.973 393 T CA -0.860 61.209 62.100 -0.053 0.000 0.996 393 T CB 2.077 70.915 68.868 -0.049 0.000 0.927 393 T HN 0.051 nan 8.240 nan 0.000 0.456 394 P HA 0.101 nan 4.420 nan 0.000 0.264 394 P C -0.363 176.872 177.300 -0.109 0.000 1.183 394 P CA 0.193 63.231 63.100 -0.103 0.000 0.763 394 P CB 0.367 32.000 31.700 -0.111 0.000 0.807 395 D N 3.606 123.927 120.400 -0.132 0.000 2.772 395 D HA 0.155 4.795 4.640 -0.000 0.000 0.326 395 D C -1.661 174.545 176.300 -0.156 0.000 1.207 395 D CA -1.954 51.971 54.000 -0.126 0.000 0.777 395 D CB 0.220 40.954 40.800 -0.109 0.000 1.169 395 D HN 0.060 nan 8.370 nan 0.000 0.506 396 P HA -0.172 nan 4.420 nan 0.000 0.216 396 P C 1.806 179.008 177.300 -0.164 0.000 1.150 396 P CA 0.666 63.647 63.100 -0.198 0.000 0.843 396 P CB 0.606 32.190 31.700 -0.195 0.000 0.787 397 L N -1.158 119.985 121.223 -0.134 0.000 2.217 397 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 397 L C 2.282 179.073 176.870 -0.132 0.000 1.107 397 L CA 1.410 56.179 54.840 -0.119 0.000 0.783 397 L CB -0.859 41.144 42.059 -0.094 0.000 0.919 397 L HN 0.052 nan 8.230 nan 0.000 0.442 398 G N -2.133 106.584 108.800 -0.140 0.000 3.284 398 G HA2 0.306 4.266 3.960 -0.000 0.000 0.236 398 G HA3 0.306 4.266 3.960 -0.000 0.000 0.236 398 G C 1.070 175.851 174.900 -0.198 0.000 1.158 398 G CA 0.414 45.422 45.100 -0.153 0.000 0.774 398 G HN 0.452 nan 8.290 nan 0.000 0.545 399 G N -1.081 107.591 108.800 -0.213 0.000 2.157 399 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.239 399 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.239 399 G C 0.157 174.920 174.900 -0.229 0.000 0.982 399 G CA 0.137 45.082 45.100 -0.258 0.000 0.650 399 G HN 0.846 nan 8.290 nan 0.000 0.527 400 V N 1.478 121.274 119.914 -0.196 0.000 2.225 400 V HA 0.366 4.486 4.120 -0.000 0.000 0.264 400 V C 1.512 177.482 176.094 -0.206 0.000 1.067 400 V CA 0.316 62.514 62.300 -0.170 0.000 0.903 400 V CB 0.706 32.454 31.823 -0.125 0.000 1.136 400 V HN 0.465 nan 8.190 nan 0.000 0.456 401 R N 2.694 123.011 120.500 -0.306 0.000 2.096 401 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 401 R C -0.212 175.751 176.300 -0.562 0.000 1.127 401 R CA 1.462 57.253 56.100 -0.516 0.000 0.968 401 R CB 0.125 29.971 30.300 -0.756 0.000 0.861 401 R HN 0.565 nan 8.270 nan 0.000 0.440 402 Y N -0.430 119.805 120.300 -0.108 0.000 2.555 402 Y HA 0.349 4.899 4.550 -0.000 0.000 0.326 402 Y C -1.901 173.915 175.900 -0.140 0.000 0.984 402 Y CA -2.816 55.188 58.100 -0.161 0.000 1.298 402 Y CB 2.104 40.493 38.460 -0.117 0.000 1.094 402 Y HN 0.035 nan 8.280 nan 0.000 0.500 403 P HA -0.186 nan 4.420 nan 0.000 0.216 403 P C -0.091 177.201 177.300 -0.013 0.000 1.150 403 P CA 1.294 64.382 63.100 -0.020 0.000 0.843 403 P CB 0.160 31.833 31.700 -0.046 0.000 0.787 404 E N 0.064 120.151 120.200 -0.189 0.000 2.652 404 E HA -0.053 4.297 4.350 -0.000 0.000 0.255 404 E C 0.836 177.469 176.600 0.055 0.000 0.952 404 E CA 0.306 56.579 56.400 -0.212 0.000 0.947 404 E CB 0.410 29.641 29.700 -0.783 0.000 0.912 404 E HN 0.037 nan 8.360 nan 0.000 0.489 405 V N 3.053 123.086 119.914 0.198 0.000 2.599 405 V HA 0.150 4.270 4.120 -0.000 0.000 0.237 405 V C 0.897 177.181 176.094 0.317 0.000 1.081 405 V CA 1.671 64.125 62.300 0.256 0.000 1.107 405 V CB -0.327 31.557 31.823 0.102 0.000 0.808 405 V HN 0.880 nan 8.190 nan 0.000 0.486 406 M N -0.900 118.844 119.600 0.240 0.000 2.853 406 M HA 0.568 5.048 4.480 -0.000 0.000 0.273 406 M C -1.625 174.495 176.300 -0.300 0.000 1.128 406 M CA -0.581 54.793 55.300 0.123 0.000 0.814 406 M CB 2.515 35.048 32.600 -0.112 0.000 1.667 406 M HN 0.049 nan 8.290 nan 0.000 0.519 407 E N 1.140 120.989 120.200 -0.586 0.000 2.212 407 E HA 0.687 5.037 4.350 -0.000 0.000 0.268 407 E C -2.109 174.114 176.600 -0.629 0.000 0.902 407 E CA -0.667 55.281 56.400 -0.753 0.000 0.779 407 E CB 1.844 30.858 29.700 -1.143 0.000 1.172 407 E HN 0.574 nan 8.360 nan 0.000 0.409 408 F N 2.628 122.430 119.950 -0.247 0.000 2.427 408 F HA 0.458 4.984 4.527 -0.000 0.000 0.346 408 F C 0.290 175.905 175.800 -0.308 0.000 1.120 408 F CA -0.797 57.030 58.000 -0.287 0.000 1.033 408 F CB 1.497 40.265 39.000 -0.386 0.000 1.126 408 F HN 0.228 nan 8.300 nan 0.000 0.462 409 R N 2.950 123.380 120.500 -0.117 0.000 2.275 409 R HA 0.494 4.833 4.340 -0.000 0.000 0.326 409 R C -1.385 174.806 176.300 -0.183 0.000 0.973 409 R CA -0.722 55.291 56.100 -0.145 0.000 0.854 409 R CB 1.431 31.655 30.300 -0.126 0.000 1.156 409 R HN 0.374 nan 8.270 nan 0.000 0.487 410 V N 3.921 123.704 119.914 -0.218 0.000 2.368 410 V HA 0.228 4.348 4.120 -0.000 0.000 0.266 410 V C 0.794 176.821 176.094 -0.113 0.000 1.045 410 V CA -0.575 61.581 62.300 -0.239 0.000 0.899 410 V CB 0.723 32.388 31.823 -0.263 0.000 1.006 410 V HN 0.589 nan 8.190 nan 0.000 0.470 411 R N 3.290 123.745 120.500 -0.075 0.000 2.390 411 R HA 0.220 4.559 4.340 -0.000 0.000 0.291 411 R C 0.139 176.435 176.300 -0.007 0.000 1.070 411 R CA -0.410 55.672 56.100 -0.030 0.000 1.014 411 R CB 0.838 31.133 30.300 -0.007 0.000 1.007 411 R HN 0.864 nan 8.270 nan 0.000 0.466 412 E N 2.262 122.460 120.200 -0.003 0.000 2.290 412 E HA 0.043 4.393 4.350 -0.000 0.000 0.277 412 E C -0.533 176.080 176.600 0.022 0.000 1.035 412 E CA -0.140 56.267 56.400 0.012 0.000 0.873 412 E CB 0.792 30.497 29.700 0.007 0.000 1.029 412 E HN 0.648 nan 8.360 nan 0.000 0.419 413 T N 0.395 114.969 114.554 0.035 0.000 2.870 413 T HA 0.344 4.694 4.350 -0.000 0.000 0.277 413 T C 0.418 175.139 174.700 0.035 0.000 1.000 413 T CA -0.838 61.284 62.100 0.036 0.000 0.982 413 T CB 1.234 70.131 68.868 0.047 0.000 1.249 413 T HN 0.541 nan 8.240 nan 0.000 0.589 414 C N 0.504 119.824 119.300 0.033 0.000 2.881 414 C HA 0.408 4.868 4.460 -0.000 0.000 0.290 414 C C 0.849 175.861 174.990 0.037 0.000 1.362 414 C CA -0.339 58.699 59.018 0.032 0.000 1.757 414 C CB -1.829 25.926 27.740 0.025 0.000 2.265 414 C HN 0.846 nan 8.230 nan 0.000 0.600 415 E N 1.375 121.602 120.200 0.045 0.000 2.345 415 E HA 0.218 4.568 4.350 -0.000 0.000 0.259 415 E C -0.069 176.568 176.600 0.063 0.000 1.117 415 E CA 0.190 56.621 56.400 0.051 0.000 0.913 415 E CB 0.533 30.264 29.700 0.053 0.000 1.057 415 E HN 0.251 nan 8.360 nan 0.000 0.432 416 E N 1.698 121.937 120.200 0.066 0.000 2.145 416 E HA 0.140 4.489 4.350 -0.000 0.000 0.262 416 E C -1.323 175.337 176.600 0.101 0.000 0.883 416 E CA -0.445 56.001 56.400 0.078 0.000 0.748 416 E CB 1.244 30.980 29.700 0.060 0.000 1.140 416 E HN 0.331 nan 8.360 nan 0.000 0.417 417 D N 1.737 122.226 120.400 0.148 0.000 2.380 417 D HA 0.050 4.690 4.640 -0.000 0.000 0.230 417 D C 0.774 177.206 176.300 0.219 0.000 1.154 417 D CA -0.050 54.075 54.000 0.208 0.000 0.859 417 D CB 0.799 41.797 40.800 0.330 0.000 1.045 417 D HN 0.259 nan 8.370 nan 0.000 0.495 418 S N 3.668 119.451 115.700 0.138 0.000 2.575 418 S HA 0.016 4.486 4.470 -0.000 0.000 0.215 418 S C 0.872 175.483 174.600 0.018 0.000 0.966 418 S CA -0.665 57.584 58.200 0.083 0.000 0.911 418 S CB -0.476 62.742 63.200 0.031 0.000 0.780 418 S HN 0.394 nan 8.310 nan 0.000 0.514 419 F N 3.520 123.392 119.950 -0.130 0.000 2.480 419 F HA 0.225 4.752 4.527 -0.000 0.000 0.409 419 F C 0.469 176.011 175.800 -0.430 0.000 0.979 419 F CA -0.222 57.555 58.000 -0.370 0.000 1.184 419 F CB -0.191 38.375 39.000 -0.723 0.000 0.925 419 F HN 0.339 nan 8.300 nan 0.000 0.543 420 A N 7.205 129.264 122.820 -1.269 0.000 2.317 420 A HA 0.643 4.963 4.320 -0.000 0.000 0.327 420 A C -1.507 175.261 177.584 -1.359 0.000 1.178 420 A CA -0.811 50.629 52.037 -0.996 0.000 0.817 420 A CB 1.245 19.926 19.000 -0.532 0.000 1.189 420 A HN 0.869 nan 8.150 nan 0.000 0.489 421 L N 4.861 125.593 121.223 -0.818 0.000 2.316 421 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 421 L C -2.139 174.554 176.870 -0.294 0.000 1.006 421 L CA -1.381 53.123 54.840 -0.560 0.000 0.836 421 L CB 1.264 43.080 42.059 -0.405 0.000 1.221 421 L HN 0.564 nan 8.230 nan 0.000 0.418 422 P HA 0.266 nan 4.420 nan 0.000 0.276 422 P C -0.010 177.236 177.300 -0.090 0.000 1.244 422 P CA -0.368 62.644 63.100 -0.147 0.000 0.801 422 P CB 0.975 32.598 31.700 -0.129 0.000 1.006 423 E N 0.014 120.176 120.200 -0.062 0.000 2.085 423 E HA -0.040 4.309 4.350 -0.000 0.000 0.194 423 E C 0.452 177.031 176.600 -0.034 0.000 0.994 423 E CA 1.132 57.510 56.400 -0.036 0.000 0.801 423 E CB -0.311 29.372 29.700 -0.027 0.000 0.743 423 E HN 0.229 nan 8.360 nan 0.000 0.453 424 V N 1.907 121.799 119.914 -0.037 0.000 2.427 424 V HA 0.072 4.191 4.120 -0.000 0.000 0.286 424 V C 0.818 176.891 176.094 -0.036 0.000 1.034 424 V CA -0.201 62.081 62.300 -0.031 0.000 0.893 424 V CB 1.807 33.619 31.823 -0.018 0.000 0.982 424 V HN 0.044 nan 8.190 nan 0.000 0.452 425 L N 4.014 125.217 121.223 -0.033 0.000 2.445 425 L HA 0.420 4.759 4.340 -0.000 0.000 0.207 425 L C 1.124 177.990 176.870 -0.006 0.000 1.053 425 L CA 1.216 56.039 54.840 -0.028 0.000 0.841 425 L CB 0.639 42.681 42.059 -0.029 0.000 1.074 425 L HN 0.628 nan 8.230 nan 0.000 0.479 426 S N -1.061 114.647 115.700 0.014 0.000 2.498 426 S HA 0.529 4.999 4.470 -0.000 0.000 0.317 426 S C 0.958 175.608 174.600 0.084 0.000 1.090 426 S CA -0.208 58.028 58.200 0.060 0.000 1.089 426 S CB 1.410 64.677 63.200 0.111 0.000 0.997 426 S HN 0.358 nan 8.310 nan 0.000 0.470 427 G N 2.385 111.222 108.800 0.063 0.000 2.464 427 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 427 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 427 G C 1.523 176.470 174.900 0.077 0.000 1.138 427 G CA 0.770 45.906 45.100 0.059 0.000 0.793 427 G HN 0.894 nan 8.290 nan 0.000 0.539 428 S N -0.247 115.508 115.700 0.091 0.000 2.461 428 S HA 0.151 4.621 4.470 -0.000 0.000 0.228 428 S C 0.874 175.539 174.600 0.109 0.000 1.005 428 S CA -0.484 57.763 58.200 0.078 0.000 0.942 428 S CB -0.350 62.886 63.200 0.059 0.000 0.776 428 S HN 0.138 nan 8.310 nan 0.000 0.514 429 F N 4.264 124.241 119.950 0.045 0.000 2.578 429 F HA 0.417 4.944 4.527 -0.000 0.000 0.381 429 F C 0.366 176.181 175.800 0.025 0.000 1.069 429 F CA -0.461 57.571 58.000 0.054 0.000 1.231 429 F CB 0.434 39.439 39.000 0.008 0.000 1.086 429 F HN -0.023 nan 8.300 nan 0.000 0.564 430 R N 5.137 125.180 120.500 -0.762 0.000 2.393 430 R HA 0.269 4.609 4.340 -0.000 0.000 0.315 430 R C -0.679 175.097 176.300 -0.873 0.000 0.952 430 R CA -1.270 54.502 56.100 -0.546 0.000 0.842 430 R CB 1.372 31.507 30.300 -0.275 0.000 1.163 430 R HN 0.648 nan 8.270 nan 0.000 0.450 431 R N 2.615 122.862 120.500 -0.422 0.000 2.484 431 R HA 0.052 4.392 4.340 -0.000 0.000 0.293 431 R C 0.247 176.453 176.300 -0.157 0.000 1.023 431 R CA 0.142 56.139 56.100 -0.172 0.000 1.037 431 R CB 0.324 30.664 30.300 0.066 0.000 0.951 431 R HN 0.393 nan 8.270 nan 0.000 0.418 432 M N 3.213 122.740 119.600 -0.120 0.000 2.327 432 M HA -0.034 4.446 4.480 -0.000 0.000 0.353 432 M C -0.042 176.235 176.300 -0.040 0.000 1.539 432 M CA 0.905 56.164 55.300 -0.068 0.000 1.039 432 M CB 0.554 33.141 32.600 -0.022 0.000 1.967 432 M HN 0.602 nan 8.290 nan 0.000 0.459 433 S N 2.781 118.445 115.700 -0.060 0.000 2.442 433 S HA 0.161 4.631 4.470 -0.000 0.000 0.297 433 S C 1.256 175.845 174.600 -0.018 0.000 1.131 433 S CA -0.500 57.684 58.200 -0.028 0.000 1.092 433 S CB 0.394 63.571 63.200 -0.038 0.000 0.998 433 S HN 0.790 nan 8.310 nan 0.000 0.478 434 H N 3.200 122.225 119.070 -0.075 0.000 2.492 434 H HA -0.114 4.442 4.556 -0.000 0.000 0.296 434 H C 0.417 175.774 175.328 0.048 0.000 1.095 434 H CA 1.605 57.615 56.048 -0.063 0.000 1.281 434 H CB 0.348 30.111 29.762 0.001 0.000 1.374 434 H HN 0.652 nan 8.280 nan 0.000 0.545 435 D N 0.634 121.015 120.400 -0.030 0.000 2.350 435 D HA -0.023 4.617 4.640 -0.000 0.000 0.216 435 D C 0.729 176.990 176.300 -0.065 0.000 0.968 435 D CA 0.404 54.368 54.000 -0.061 0.000 0.894 435 D CB 0.042 40.823 40.800 -0.031 0.000 0.909 435 D HN 0.428 nan 8.370 nan 0.000 0.520 436 I N 2.260 122.777 120.570 -0.089 0.000 2.556 436 I HA 0.051 4.221 4.170 -0.000 0.000 0.284 436 I C -2.021 174.101 176.117 0.009 0.000 1.114 436 I CA -1.762 59.455 61.300 -0.140 0.000 1.418 436 I CB 0.332 38.083 38.000 -0.416 0.000 1.394 436 I HN -0.357 nan 8.210 nan 0.000 0.552 437 P HA -0.016 nan 4.420 nan 0.000 0.262 437 P C -0.930 176.423 177.300 0.089 0.000 1.182 437 P CA 0.735 63.831 63.100 -0.007 0.000 0.761 437 P CB 0.257 31.951 31.700 -0.010 0.000 0.795 438 H N 0.396 119.451 119.070 -0.025 0.000 3.064 438 H HA 0.561 5.116 4.556 -0.000 0.000 0.352 438 H C -0.344 174.946 175.328 -0.063 0.000 1.260 438 H CA -1.101 54.940 56.048 -0.012 0.000 1.160 438 H CB 0.684 30.420 29.762 -0.043 0.000 1.879 438 H HN 0.467 nan 8.280 nan 0.000 0.544 439 G N 0.209 109.016 108.800 0.012 0.000 2.588 439 G HA2 0.424 4.384 3.960 -0.000 0.000 0.281 439 G HA3 0.424 4.384 3.960 -0.000 0.000 0.281 439 G C -1.152 173.655 174.900 -0.155 0.000 1.236 439 G CA -0.405 44.686 45.100 -0.014 0.000 0.969 439 G HN 0.686 nan 8.290 nan 0.000 0.504 440 H N -0.725 118.347 119.070 0.004 0.000 2.717 440 H HA 0.622 5.178 4.556 -0.000 0.000 0.366 440 H C -0.160 175.010 175.328 -0.265 0.000 1.132 440 H CA -0.734 55.300 56.048 -0.023 0.000 1.180 440 H CB 1.825 31.598 29.762 0.019 0.000 1.678 440 H HN 0.241 nan 8.280 nan 0.000 0.537 441 R N 1.714 122.006 120.500 -0.347 0.000 2.750 441 R HA 0.455 4.795 4.340 -0.000 0.000 0.281 441 R C -1.309 174.705 176.300 -0.478 0.000 0.972 441 R CA -1.217 54.455 56.100 -0.713 0.000 0.912 441 R CB 2.655 31.933 30.300 -1.702 0.000 1.187 441 R HN 0.460 nan 8.270 nan 0.000 0.464 442 L N 3.582 124.581 121.223 -0.374 0.000 2.319 442 L HA 0.480 4.820 4.340 -0.000 0.000 0.281 442 L C -1.044 175.711 176.870 -0.191 0.000 1.005 442 L CA -0.419 54.234 54.840 -0.311 0.000 0.828 442 L CB 1.049 42.871 42.059 -0.394 0.000 1.227 442 L HN 0.431 nan 8.230 nan 0.000 0.415 443 I N 6.517 126.978 120.570 -0.182 0.000 2.355 443 I HA 0.360 4.530 4.170 -0.000 0.000 0.288 443 I C -0.155 175.993 176.117 0.052 0.000 0.999 443 I CA -0.690 60.627 61.300 0.029 0.000 1.163 443 I CB 1.396 39.479 38.000 0.139 0.000 1.316 443 I HN 0.202 nan 8.210 nan 0.000 0.454 444 V N 7.166 127.114 119.914 0.056 0.000 2.481 444 V HA 0.388 4.508 4.120 -0.000 0.000 0.286 444 V C 0.317 176.350 176.094 -0.100 0.000 1.042 444 V CA -0.573 61.688 62.300 -0.066 0.000 0.928 444 V CB 2.064 33.804 31.823 -0.139 0.000 0.986 444 V HN 0.442 nan 8.190 nan 0.000 0.462 445 L N 5.467 126.587 121.223 -0.171 0.000 2.280 445 L HA 0.504 4.844 4.340 -0.000 0.000 0.287 445 L C 0.461 177.113 176.870 -0.363 0.000 1.023 445 L CA -0.362 54.341 54.840 -0.229 0.000 0.819 445 L CB 1.555 43.528 42.059 -0.144 0.000 1.212 445 L HN 0.740 nan 8.230 nan 0.000 0.420 446 T N 0.605 114.881 114.554 -0.463 0.000 2.928 446 T HA 0.547 4.896 4.350 -0.000 0.000 0.284 446 T C -2.551 172.007 174.700 -0.237 0.000 1.008 446 T CA -2.179 59.587 62.100 -0.557 0.000 1.057 446 T CB 1.563 69.938 68.868 -0.822 0.000 1.018 446 T HN 0.236 nan 8.240 nan 0.000 0.493 447 P HA 0.232 nan 4.420 nan 0.000 0.272 447 P C -2.073 175.241 177.300 0.022 0.000 1.223 447 P CA -1.598 61.495 63.100 -0.012 0.000 0.784 447 P CB 0.020 31.747 31.700 0.045 0.000 0.923 448 P HA -0.151 nan 4.420 nan 0.000 0.216 448 P C 1.476 178.802 177.300 0.045 0.000 1.153 448 P CA 1.993 65.118 63.100 0.042 0.000 0.858 448 P CB -0.499 31.226 31.700 0.042 0.000 0.789 449 G N -1.275 107.557 108.800 0.053 0.000 2.990 449 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.206 449 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.206 449 G C 0.210 175.160 174.900 0.084 0.000 1.169 449 G CA 0.165 45.297 45.100 0.054 0.000 0.819 449 G HN 0.214 nan 8.290 nan 0.000 0.517 450 T N 0.687 115.317 114.554 0.126 0.000 2.901 450 T HA 0.190 4.540 4.350 -0.000 0.000 0.301 450 T C 0.587 175.396 174.700 0.182 0.000 1.012 450 T CA -0.340 61.876 62.100 0.193 0.000 1.135 450 T CB 1.488 70.531 68.868 0.290 0.000 0.936 450 T HN 0.327 nan 8.240 nan 0.000 0.539 451 K N 1.592 122.089 120.400 0.161 0.000 2.530 451 K HA 0.095 4.415 4.320 -0.000 0.000 0.280 451 K C 1.395 178.094 176.600 0.165 0.000 1.004 451 K CA 1.113 57.477 56.287 0.129 0.000 1.071 451 K CB -0.423 32.137 32.500 0.100 0.000 0.876 451 K HN 0.911 nan 8.250 nan 0.000 0.487 452 G N 2.059 110.927 108.800 0.113 0.000 2.184 452 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.264 452 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.264 452 G C 0.681 175.660 174.900 0.131 0.000 0.975 452 G CA 0.852 46.013 45.100 0.103 0.000 0.642 452 G HN 0.837 nan 8.290 nan 0.000 0.536 453 S N 0.008 115.805 115.700 0.162 0.000 2.528 453 S HA 0.399 4.869 4.470 -0.000 0.000 0.219 453 S C 2.199 176.879 174.600 0.135 0.000 0.985 453 S CA 1.388 59.696 58.200 0.179 0.000 0.914 453 S CB -0.006 63.321 63.200 0.211 0.000 0.776 453 S HN 2.339 nan 8.310 nan 0.000 0.526 454 G N 0.862 109.704 108.800 0.071 0.000 2.203 454 G HA2 0.023 3.983 3.960 -0.000 0.000 0.263 454 G HA3 0.023 3.983 3.960 -0.000 0.000 0.263 454 G C 1.120 175.910 174.900 -0.184 0.000 1.012 454 G CA 0.419 45.518 45.100 -0.002 0.000 0.749 454 G HN 1.883 nan 8.290 nan 0.000 0.512 455 G N -1.762 106.967 108.800 -0.119 0.000 2.143 455 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.249 455 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.249 455 G C 0.142 174.900 174.900 -0.237 0.000 0.981 455 G CA 0.742 45.741 45.100 -0.168 0.000 0.665 455 G HN 1.287 nan 8.290 nan 0.000 0.528 456 H N 0.861 119.963 119.070 0.052 0.000 2.463 456 H HA 0.433 4.989 4.556 -0.000 0.000 0.332 456 H C -2.176 173.147 175.328 -0.008 0.000 1.127 456 H CA -1.726 54.333 56.048 0.018 0.000 1.238 456 H CB 1.657 31.435 29.762 0.026 0.000 1.478 456 H HN 0.162 nan 8.280 nan 0.000 0.499 457 P HA 0.118 nan 4.420 nan 0.000 0.271 457 P C -0.382 176.891 177.300 -0.044 0.000 1.218 457 P CA -0.049 63.026 63.100 -0.042 0.000 0.780 457 P CB 1.553 33.198 31.700 -0.091 0.000 0.901 458 E N 0.779 120.946 120.200 -0.054 0.000 2.392 458 E HA 0.483 4.833 4.350 -0.000 0.000 0.269 458 E C -0.514 176.090 176.600 0.007 0.000 0.924 458 E CA -1.041 55.388 56.400 0.048 0.000 0.784 458 E CB 1.800 31.674 29.700 0.291 0.000 1.292 458 E HN 0.347 nan 8.360 nan 0.000 0.447 459 I N 1.864 122.507 120.570 0.121 0.000 2.352 459 I HA 0.147 4.316 4.170 -0.000 0.000 0.290 459 I C -0.873 175.491 176.117 0.413 0.000 1.036 459 I CA -0.187 61.231 61.300 0.197 0.000 1.336 459 I CB 0.383 38.486 38.000 0.171 0.000 1.407 459 I HN 0.233 nan 8.210 nan 0.000 0.497 460 W N 5.632 126.953 121.300 0.035 0.000 2.376 460 W HA 0.406 5.065 4.660 -0.000 0.000 0.312 460 W C 0.049 176.598 176.519 0.049 0.000 1.060 460 W CA -1.008 56.355 57.345 0.031 0.000 1.221 460 W CB 0.540 30.009 29.460 0.016 0.000 1.281 460 W HN 0.392 nan 8.180 nan 0.000 0.456 461 E N 3.460 123.787 120.200 0.212 0.000 2.259 461 E HA 0.270 4.620 4.350 -0.000 0.000 0.281 461 E C 0.073 176.763 176.600 0.150 0.000 1.037 461 E CA -0.267 56.232 56.400 0.166 0.000 0.854 461 E CB 0.823 30.541 29.700 0.030 0.000 1.051 461 E HN 0.078 nan 8.360 nan 0.000 0.409 462 M N 1.748 121.435 119.600 0.145 0.000 2.472 462 M HA 0.544 5.024 4.480 -0.000 0.000 0.331 462 M C -0.391 175.994 176.300 0.141 0.000 1.170 462 M CA -0.912 54.467 55.300 0.131 0.000 1.009 462 M CB 1.515 34.151 32.600 0.061 0.000 1.672 462 M HN 0.460 nan 8.290 nan 0.000 0.453 463 A N 1.617 124.544 122.820 0.179 0.000 2.343 463 A HA 0.551 4.871 4.320 -0.000 0.000 0.316 463 A C -0.394 177.344 177.584 0.256 0.000 1.104 463 A CA -0.693 51.451 52.037 0.178 0.000 0.768 463 A CB 0.868 19.931 19.000 0.104 0.000 1.213 463 A HN 0.855 nan 8.150 nan 0.000 0.456 464 E N 1.750 122.108 120.200 0.263 0.000 2.414 464 E HA 0.328 4.678 4.350 -0.000 0.000 0.263 464 E C -0.704 175.873 176.600 -0.038 0.000 1.000 464 E CA -0.067 56.355 56.400 0.036 0.000 0.914 464 E CB 0.529 30.225 29.700 -0.006 0.000 0.948 464 E HN 0.401 nan 8.360 nan 0.000 0.444 465 V N 4.453 124.297 119.914 -0.116 0.000 2.481 465 V HA 0.346 4.466 4.120 -0.000 0.000 0.286 465 V C 0.034 176.075 176.094 -0.088 0.000 1.042 465 V CA -0.378 61.879 62.300 -0.071 0.000 0.928 465 V CB 1.341 33.132 31.823 -0.052 0.000 0.986 465 V HN 0.810 nan 8.190 nan 0.000 0.462 473 V N -1.422 118.500 119.914 0.013 0.000 3.279 473 V HA 0.853 4.973 4.120 -0.000 0.000 0.296 473 V C -2.530 173.575 176.094 0.017 0.000 1.470 473 V CA -1.206 61.106 62.300 0.019 0.000 1.065 473 V CB 0.345 32.187 31.823 0.030 0.000 1.124 473 V HN 0.165 nan 8.190 nan 0.000 0.461 474 P HA 0.811 nan 4.420 nan 0.000 0.280 474 P C -0.596 176.717 177.300 0.021 0.000 1.244 474 P CA 0.110 63.225 63.100 0.024 0.000 0.784 474 P CB 1.257 32.965 31.700 0.015 0.000 0.913 475 A N 1.311 124.152 122.820 0.035 0.000 2.515 475 A HA 0.409 4.729 4.320 -0.000 0.000 0.298 475 A C -0.348 177.266 177.584 0.050 0.000 1.059 475 A CA -0.860 51.196 52.037 0.031 0.000 0.698 475 A CB 1.000 20.015 19.000 0.025 0.000 1.289 475 A HN 0.648 nan 8.150 nan 0.000 0.404 476 E N 0.644 120.866 120.200 0.037 0.000 2.820 476 E HA 0.256 4.606 4.350 -0.000 0.000 0.251 476 E C 1.253 177.883 176.600 0.049 0.000 0.944 476 E CA 1.691 58.121 56.400 0.050 0.000 0.955 476 E CB -0.071 29.640 29.700 0.019 0.000 0.904 476 E HN 2.036 nan 8.360 nan 0.000 0.513 477 G N 2.664 111.533 108.800 0.115 0.000 2.159 477 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 477 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 477 G C -0.051 174.949 174.900 0.167 0.000 0.977 477 G CA 0.111 45.233 45.100 0.037 0.000 0.652 477 G HN 0.542 nan 8.290 nan 0.000 0.531 478 V N 1.495 121.532 119.914 0.204 0.000 2.398 478 V HA 0.732 4.852 4.120 -0.000 0.000 0.286 478 V C 0.424 176.679 176.094 0.269 0.000 1.026 478 V CA -0.638 61.780 62.300 0.198 0.000 0.868 478 V CB 1.749 33.641 31.823 0.114 0.000 0.982 478 V HN 0.297 nan 8.190 nan 0.000 0.443 479 I N 4.264 125.011 120.570 0.295 0.000 2.582 479 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 479 I C -0.425 175.857 176.117 0.275 0.000 1.066 479 I CA -0.514 60.970 61.300 0.306 0.000 1.053 479 I CB 2.365 40.554 38.000 0.314 0.000 1.241 479 I HN 0.581 nan 8.210 nan 0.000 0.421 480 Q N 4.333 124.264 119.800 0.218 0.000 2.348 480 Q HA 0.789 5.129 4.340 -0.000 0.000 0.271 480 Q C -1.466 174.649 176.000 0.191 0.000 1.067 480 Q CA -0.955 54.958 55.803 0.183 0.000 0.839 480 Q CB 3.587 32.392 28.738 0.111 0.000 1.354 480 Q HN 0.371 nan 8.270 nan 0.000 0.447 481 V N 1.222 121.257 119.914 0.202 0.000 2.697 481 V HA 0.240 4.360 4.120 -0.000 0.000 0.300 481 V C -0.881 175.326 176.094 0.189 0.000 1.115 481 V CA -0.780 61.645 62.300 0.209 0.000 0.912 481 V CB 2.160 34.129 31.823 0.243 0.000 1.024 481 V HN 0.809 nan 8.190 nan 0.000 0.431 482 T N 4.062 118.719 114.554 0.173 0.000 2.728 482 T HA 0.532 4.882 4.350 -0.000 0.000 0.296 482 T C 0.747 175.541 174.700 0.157 0.000 0.940 482 T CA 0.143 62.323 62.100 0.134 0.000 1.013 482 T CB 1.372 70.302 68.868 0.103 0.000 0.912 482 T HN 0.914 nan 8.240 nan 0.000 0.484 483 G N 1.360 110.239 108.800 0.131 0.000 2.553 483 G HA2 0.459 4.419 3.960 -0.000 0.000 0.278 483 G HA3 0.459 4.419 3.960 -0.000 0.000 0.278 483 G C 1.205 176.135 174.900 0.051 0.000 1.349 483 G CA -0.272 44.895 45.100 0.112 0.000 1.037 483 G HN 0.778 nan 8.290 nan 0.000 0.508 484 A N -0.438 122.397 122.820 0.024 0.000 2.067 484 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 484 A C 1.766 179.357 177.584 0.011 0.000 1.158 484 A CA 1.981 54.018 52.037 -0.001 0.000 0.661 484 A CB -0.319 18.673 19.000 -0.014 0.000 0.801 484 A HN 0.612 nan 8.150 nan 0.000 0.452 485 D N -1.592 118.823 120.400 0.024 0.000 2.324 485 D HA 0.233 4.873 4.640 -0.000 0.000 0.235 485 D C 1.213 177.527 176.300 0.024 0.000 1.095 485 D CA 0.768 54.782 54.000 0.023 0.000 0.871 485 D CB -0.805 40.011 40.800 0.027 0.000 0.906 485 D HN 0.617 nan 8.370 nan 0.000 0.522 486 G N 0.919 109.735 108.800 0.027 0.000 2.270 486 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.268 486 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.268 486 G C 0.499 175.418 174.900 0.032 0.000 0.982 486 G CA 0.406 45.523 45.100 0.027 0.000 0.628 486 G HN 0.672 nan 8.290 nan 0.000 0.544 487 R N 0.975 121.494 120.500 0.032 0.000 2.643 487 R HA 0.410 4.750 4.340 -0.000 0.000 0.270 487 R C -0.588 175.738 176.300 0.043 0.000 1.061 487 R CA 0.718 56.836 56.100 0.030 0.000 1.107 487 R CB 0.194 30.508 30.300 0.024 0.000 0.999 487 R HN 0.118 nan 8.270 nan 0.000 0.460 488 T N 4.565 119.138 114.554 0.031 0.000 2.771 488 T HA 0.323 4.673 4.350 -0.000 0.000 0.281 488 T C -0.596 174.103 174.700 -0.002 0.000 0.982 488 T CA -0.597 61.526 62.100 0.037 0.000 0.978 488 T CB 1.218 70.107 68.868 0.035 0.000 0.930 488 T HN 0.468 nan 8.240 nan 0.000 0.447 489 K N 1.532 121.928 120.400 -0.006 0.000 2.185 489 K HA 0.708 5.027 4.320 -0.000 0.000 0.240 489 K C -0.427 176.019 176.600 -0.257 0.000 0.983 489 K CA -0.846 55.339 56.287 -0.170 0.000 0.873 489 K CB 1.640 33.995 32.500 -0.241 0.000 1.118 489 K HN 0.395 nan 8.250 nan 0.000 0.441 490 T N 1.434 115.701 114.554 -0.477 0.000 2.848 490 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 490 T C -1.511 172.893 174.700 -0.494 0.000 0.995 490 T CA -0.598 61.320 62.100 -0.304 0.000 0.970 490 T CB 0.361 69.146 68.868 -0.138 0.000 0.976 490 T HN 0.316 nan 8.240 nan 0.000 0.441 491 Y N 1.296 121.629 120.300 0.055 0.000 2.442 491 Y HA 0.585 5.135 4.550 -0.000 0.000 0.344 491 Y C 0.285 176.232 175.900 0.078 0.000 0.976 491 Y CA -1.194 56.941 58.100 0.059 0.000 1.040 491 Y CB 1.898 40.396 38.460 0.063 0.000 1.228 491 Y HN 0.387 nan 8.280 nan 0.000 0.451 492 R N 3.297 123.921 120.500 0.208 0.000 2.460 492 R HA 0.461 4.801 4.340 -0.000 0.000 0.303 492 R C -0.423 175.949 176.300 0.119 0.000 0.968 492 R CA -0.887 55.294 56.100 0.134 0.000 0.889 492 R CB 1.157 31.497 30.300 0.067 0.000 1.123 492 R HN 0.842 nan 8.270 nan 0.000 0.455 493 R N 1.910 122.450 120.500 0.067 0.000 2.590 493 R HA 0.009 4.349 4.340 -0.000 0.000 0.274 493 R C -0.180 176.071 176.300 -0.081 0.000 1.061 493 R CA 0.642 56.721 56.100 -0.034 0.000 1.081 493 R CB 0.940 31.028 30.300 -0.353 0.000 0.984 493 R HN 0.742 nan 8.270 nan 0.000 0.448 494 T N 0.996 115.510 114.554 -0.067 0.000 2.993 494 T HA 0.367 4.717 4.350 -0.000 0.000 0.260 494 T C -1.048 173.600 174.700 -0.086 0.000 0.939 494 T CA 0.475 62.544 62.100 -0.052 0.000 0.886 494 T CB 0.419 69.294 68.868 0.012 0.000 1.209 494 T HN 0.725 nan 8.240 nan 0.000 0.518 495 A N 0.935 123.689 122.820 -0.111 0.000 2.589 495 A HA 0.716 5.035 4.320 -0.000 0.000 0.296 495 A C 0.059 177.559 177.584 -0.140 0.000 1.062 495 A CA -0.670 51.294 52.037 -0.122 0.000 0.686 495 A CB 1.117 20.056 19.000 -0.103 0.000 1.282 495 A HN 0.335 nan 8.150 nan 0.000 0.404 496 R N -0.106 120.316 120.500 -0.129 0.000 2.544 496 R HA 0.433 4.773 4.340 -0.000 0.000 0.303 496 R C -0.012 176.327 176.300 0.065 0.000 0.939 496 R CA 0.679 56.733 56.100 -0.078 0.000 1.102 496 R CB 0.938 31.077 30.300 -0.268 0.000 1.440 496 R HN 0.682 nan 8.270 nan 0.000 0.532 497 T N -1.002 113.564 114.554 0.020 0.000 2.802 497 T HA 0.181 4.530 4.350 -0.000 0.000 0.311 497 T C -0.469 174.254 174.700 0.038 0.000 1.405 497 T CA -0.758 61.375 62.100 0.056 0.000 1.016 497 T CB 1.093 69.999 68.868 0.063 0.000 1.352 497 T HN 0.120 nan 8.240 nan 0.000 0.498 498 F N 3.038 122.954 119.950 -0.057 0.000 2.087 498 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 498 F C 1.651 177.428 175.800 -0.039 0.000 1.100 498 F CA 2.296 60.251 58.000 -0.075 0.000 1.226 498 F CB -0.021 38.922 39.000 -0.096 0.000 0.983 498 F HN 0.662 nan 8.300 nan 0.000 0.479 499 N N -0.008 118.547 118.700 -0.241 0.000 2.383 499 N HA -0.034 4.705 4.740 -0.000 0.000 0.192 499 N C -0.515 174.876 175.510 -0.199 0.000 1.141 499 N CA -0.222 52.638 53.050 -0.318 0.000 0.851 499 N CB -0.122 38.312 38.487 -0.089 0.000 0.976 499 N HN 0.205 nan 8.380 nan 0.000 0.465 500 D N 0.358 120.660 120.400 -0.163 0.000 2.390 500 D HA 0.023 4.663 4.640 -0.000 0.000 0.236 500 D C 0.931 177.144 176.300 -0.145 0.000 1.189 500 D CA 0.327 54.250 54.000 -0.127 0.000 0.887 500 D CB 0.434 41.169 40.800 -0.109 0.000 1.198 500 D HN 0.143 nan 8.370 nan 0.000 0.444 501 G N 0.558 109.296 108.800 -0.104 0.000 2.368 501 G HA2 0.094 4.054 3.960 -0.000 0.000 0.233 501 G HA3 0.094 4.054 3.960 -0.000 0.000 0.233 501 G C 0.158 175.002 174.900 -0.094 0.000 1.267 501 G CA -0.419 44.629 45.100 -0.088 0.000 0.873 501 G HN 0.427 nan 8.290 nan 0.000 0.539 502 L N 2.893 124.070 121.223 -0.076 0.000 2.615 502 L HA 0.313 4.652 4.340 -0.000 0.000 0.284 502 L C 1.379 178.227 176.870 -0.036 0.000 1.237 502 L CA 1.426 56.235 54.840 -0.051 0.000 0.905 502 L CB 0.638 42.692 42.059 -0.008 0.000 1.149 502 L HN 0.520 nan 8.230 nan 0.000 0.499 503 G N 4.543 113.290 108.800 -0.087 0.000 2.641 503 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 503 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 503 G C -0.035 174.999 174.900 0.224 0.000 1.190 503 G CA -0.202 44.875 45.100 -0.038 0.000 0.842 503 G HN 0.447 nan 8.290 nan 0.000 0.585 504 F N 2.247 122.263 119.950 0.111 0.000 2.404 504 F HA 0.557 5.084 4.527 -0.000 0.000 0.358 504 F C 0.079 175.978 175.800 0.164 0.000 1.120 504 F CA -1.331 56.722 58.000 0.089 0.000 1.144 504 F CB 0.890 39.921 39.000 0.053 0.000 1.133 504 F HN -0.241 nan 8.300 nan 0.000 0.495 505 T N 5.452 120.176 114.554 0.284 0.000 2.792 505 T HA 0.713 5.063 4.350 -0.000 0.000 0.280 505 T C -0.196 174.589 174.700 0.143 0.000 0.990 505 T CA -0.408 61.819 62.100 0.213 0.000 0.960 505 T CB 1.167 70.123 68.868 0.147 0.000 0.939 505 T HN 0.306 nan 8.240 nan 0.000 0.439 506 I N 2.031 122.695 120.570 0.156 0.000 2.499 506 I HA 0.452 4.622 4.170 -0.000 0.000 0.288 506 I C 0.863 177.051 176.117 0.119 0.000 1.048 506 I CA -1.057 60.281 61.300 0.063 0.000 1.062 506 I CB 1.925 39.860 38.000 -0.109 0.000 1.238 506 I HN 0.723 nan 8.210 nan 0.000 0.426 507 G N 4.591 113.447 108.800 0.092 0.000 2.365 507 G HA2 0.065 4.025 3.960 -0.000 0.000 0.249 507 G HA3 0.065 4.025 3.960 -0.000 0.000 0.249 507 G C -0.016 174.981 174.900 0.160 0.000 1.288 507 G CA -0.203 44.974 45.100 0.128 0.000 0.887 507 G HN 0.641 nan 8.290 nan 0.000 0.524 508 E N 1.422 121.755 120.200 0.222 0.000 2.414 508 E HA 0.218 4.568 4.350 -0.000 0.000 0.263 508 E C 1.426 178.102 176.600 0.126 0.000 1.000 508 E CA 1.209 57.730 56.400 0.202 0.000 0.914 508 E CB 0.617 30.485 29.700 0.280 0.000 0.948 508 E HN 1.088 nan 8.360 nan 0.000 0.444 509 G N 3.418 112.258 108.800 0.067 0.000 2.205 509 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.261 509 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.261 509 G C 0.498 175.397 174.900 -0.002 0.000 0.980 509 G CA 0.828 45.934 45.100 0.009 0.000 0.632 509 G HN 0.800 nan 8.290 nan 0.000 0.533 510 T N -1.439 113.152 114.554 0.063 0.000 2.849 510 T HA 0.599 4.948 4.350 -0.000 0.000 0.284 510 T C 0.059 174.794 174.700 0.060 0.000 1.004 510 T CA -0.135 62.020 62.100 0.091 0.000 1.021 510 T CB 1.561 70.493 68.868 0.108 0.000 1.013 510 T HN 0.373 nan 8.240 nan 0.000 0.527 511 H N -0.156 118.997 119.070 0.139 0.000 2.479 511 H HA 0.627 5.182 4.556 -0.000 0.000 0.335 511 H C 0.028 175.484 175.328 0.213 0.000 1.142 511 H CA -0.604 55.537 56.048 0.156 0.000 1.234 511 H CB 1.099 30.915 29.762 0.090 0.000 1.503 511 H HN 0.677 nan 8.280 nan 0.000 0.510 512 E N 1.140 121.577 120.200 0.394 0.000 2.340 512 E HA 0.171 4.520 4.350 -0.000 0.000 0.273 512 E C -1.102 175.679 176.600 0.303 0.000 0.891 512 E CA -0.999 55.611 56.400 0.349 0.000 0.757 512 E CB 2.925 32.880 29.700 0.425 0.000 1.231 512 E HN 0.480 nan 8.360 nan 0.000 0.439 513 Q N 2.391 122.297 119.800 0.176 0.000 2.314 513 Q HA 0.244 4.584 4.340 -0.000 0.000 0.259 513 Q C -1.513 174.647 176.000 0.267 0.000 0.951 513 Q CA -0.704 55.174 55.803 0.125 0.000 0.909 513 Q CB 0.793 29.509 28.738 -0.037 0.000 1.236 513 Q HN 0.380 nan 8.270 nan 0.000 0.444 514 W N 2.262 123.454 121.300 -0.180 0.000 2.469 514 W HA 0.383 5.043 4.660 -0.000 0.000 0.320 514 W C -0.389 175.843 176.519 -0.478 0.000 1.086 514 W CA -0.599 56.497 57.345 -0.415 0.000 1.211 514 W CB 2.003 31.088 29.460 -0.625 0.000 1.298 514 W HN 0.411 nan 8.180 nan 0.000 0.525 515 T N 4.474 118.847 114.554 -0.301 0.000 2.772 515 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 515 T C -0.888 173.581 174.700 -0.386 0.000 0.994 515 T CA -0.455 61.491 62.100 -0.257 0.000 0.951 515 T CB -0.002 68.782 68.868 -0.140 0.000 0.933 515 T HN -0.027 nan 8.240 nan 0.000 0.447 516 F N 3.493 123.445 119.950 0.003 0.000 2.390 516 F HA 0.424 4.951 4.527 -0.000 0.000 0.361 516 F C 0.126 175.904 175.800 -0.035 0.000 1.124 516 F CA -1.023 56.982 58.000 0.010 0.000 1.149 516 F CB 0.707 39.744 39.000 0.062 0.000 1.160 516 F HN 0.243 nan 8.300 nan 0.000 0.501 517 L N 5.325 126.570 121.223 0.036 0.000 2.264 517 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 517 L C -0.487 176.321 176.870 -0.103 0.000 1.039 517 L CA -0.419 54.353 54.840 -0.114 0.000 0.829 517 L CB 0.243 42.128 42.059 -0.289 0.000 1.211 517 L HN 0.427 nan 8.230 nan 0.000 0.427 518 N N 4.740 123.415 118.700 -0.042 0.000 2.420 518 N HA 0.212 4.952 4.740 -0.000 0.000 0.249 518 N C 0.471 175.925 175.510 -0.092 0.000 1.033 518 N CA -0.152 52.880 53.050 -0.030 0.000 0.944 518 N CB 0.846 39.386 38.487 0.088 0.000 1.113 518 N HN 0.709 nan 8.380 nan 0.000 0.502 519 L N 1.171 122.275 121.223 -0.198 0.000 2.591 519 L HA 0.104 4.443 4.340 -0.000 0.000 0.228 519 L C 0.961 177.759 176.870 -0.120 0.000 1.133 519 L CA 0.072 54.774 54.840 -0.229 0.000 0.880 519 L CB -0.378 41.372 42.059 -0.515 0.000 1.033 519 L HN 0.470 nan 8.230 nan 0.000 0.450 520 S N -1.047 114.616 115.700 -0.062 0.000 2.704 520 S HA 0.496 4.966 4.470 -0.000 0.000 0.305 520 S C -2.194 172.421 174.600 0.025 0.000 1.107 520 S CA -1.266 56.931 58.200 -0.005 0.000 0.993 520 S CB 1.801 65.015 63.200 0.023 0.000 1.110 520 S HN -0.181 nan 8.310 nan 0.000 0.534 521 P HA 0.344 nan 4.420 nan 0.000 0.255 521 P C -0.278 177.022 177.300 -0.001 0.000 1.248 521 P CA -0.018 63.093 63.100 0.018 0.000 0.807 521 P CB -0.256 31.453 31.700 0.015 0.000 1.150 522 I N 1.000 121.564 120.570 -0.011 0.000 2.371 522 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 522 I C 0.827 176.811 176.117 -0.222 0.000 1.028 522 I CA -0.897 60.344 61.300 -0.098 0.000 1.345 522 I CB 1.214 39.154 38.000 -0.100 0.000 1.407 522 I HN -0.131 nan 8.210 nan 0.000 0.501 523 L N 7.194 128.308 121.223 -0.183 0.000 2.360 523 L HA 0.269 4.609 4.340 -0.000 0.000 0.276 523 L C -0.628 176.102 176.870 -0.234 0.000 1.121 523 L CA -0.159 54.608 54.840 -0.122 0.000 0.845 523 L CB -0.008 42.036 42.059 -0.025 0.000 1.143 523 L HN 0.561 nan 8.230 nan 0.000 0.452 524 H N 5.643 124.772 119.070 0.099 0.000 2.587 524 H HA 0.341 4.897 4.556 -0.000 0.000 0.325 524 H C -2.359 173.021 175.328 0.086 0.000 1.012 524 H CA -2.089 54.027 56.048 0.114 0.000 1.213 524 H CB 1.480 31.305 29.762 0.105 0.000 1.431 524 H HN 0.452 nan 8.280 nan 0.000 0.492 525 P HA 0.077 nan 4.420 nan 0.000 0.279 525 P C -0.048 177.350 177.300 0.163 0.000 1.318 525 P CA -0.397 62.798 63.100 0.158 0.000 0.819 525 P CB 0.368 32.155 31.700 0.145 0.000 0.927 526 M N 3.371 123.011 119.600 0.066 0.000 2.274 526 M HA 0.308 4.788 4.480 -0.000 0.000 0.344 526 M C 0.216 176.555 176.300 0.067 0.000 1.161 526 M CA -0.257 55.024 55.300 -0.031 0.000 1.126 526 M CB -0.015 32.244 32.600 -0.569 0.000 1.522 526 M HN 0.453 nan 8.290 nan 0.000 0.461 527 H N 1.999 121.046 119.070 -0.038 0.000 2.865 527 H HA 0.677 5.233 4.556 -0.000 0.000 0.362 527 H C -1.852 173.525 175.328 0.083 0.000 1.114 527 H CA -0.640 55.375 56.048 -0.054 0.000 1.208 527 H CB 1.104 30.862 29.762 -0.008 0.000 1.727 527 H HN 0.666 nan 8.280 nan 0.000 0.534 528 I N 5.307 125.710 120.570 -0.278 0.000 2.389 528 I HA 0.236 4.406 4.170 -0.000 0.000 0.288 528 I C 0.517 176.540 176.117 -0.155 0.000 0.999 528 I CA -0.705 60.518 61.300 -0.129 0.000 1.129 528 I CB 1.288 39.096 38.000 -0.319 0.000 1.288 528 I HN 0.578 nan 8.210 nan 0.000 0.444 529 H N 4.537 123.565 119.070 -0.069 0.000 2.767 529 H HA 0.054 4.610 4.556 -0.000 0.000 0.380 529 H C 0.949 176.338 175.328 0.102 0.000 1.409 529 H CA 0.035 56.117 56.048 0.057 0.000 1.463 529 H CB 1.005 30.923 29.762 0.260 0.000 1.514 529 H HN 0.665 nan 8.280 nan 0.000 0.619 530 L N -0.789 120.455 121.223 0.033 0.000 3.153 530 L HA -0.324 4.015 4.340 -0.000 0.000 0.369 530 L C -0.021 176.739 176.870 -0.184 0.000 3.110 530 L CA 2.350 57.055 54.840 -0.226 0.000 2.423 530 L CB -1.522 40.144 42.059 -0.655 0.000 2.474 530 L HN 0.720 nan 8.230 nan 0.000 0.797 531 A N -0.165 122.563 122.820 -0.154 0.000 2.288 531 A HA 0.682 5.001 4.320 -0.000 0.000 0.328 531 A C -0.627 176.852 177.584 -0.175 0.000 1.123 531 A CA -0.001 51.820 52.037 -0.360 0.000 0.861 531 A CB 0.528 18.940 19.000 -0.980 0.000 1.272 531 A HN 0.389 nan 8.150 nan 0.000 0.490 532 D N -0.255 119.965 120.400 -0.301 0.000 2.163 532 D HA 0.629 5.269 4.640 -0.000 0.000 0.248 532 D C -1.401 174.701 176.300 -0.330 0.000 1.035 532 D CA 0.558 54.521 54.000 -0.062 0.000 0.872 532 D CB 1.401 42.214 40.800 0.022 0.000 1.183 532 D HN 0.287 nan 8.370 nan 0.000 0.445 533 F N 0.346 120.384 119.950 0.147 0.000 2.603 533 F HA 0.320 4.846 4.527 -0.000 0.000 0.317 533 F C 0.261 176.203 175.800 0.237 0.000 1.066 533 F CA -0.750 57.341 58.000 0.151 0.000 0.941 533 F CB 1.907 41.071 39.000 0.273 0.000 1.291 533 F HN -0.007 nan 8.300 nan 0.000 0.472 534 Q N 0.809 120.804 119.800 0.326 0.000 2.365 534 Q HA 0.578 4.918 4.340 -0.000 0.000 0.269 534 Q C -1.343 174.748 176.000 0.151 0.000 1.061 534 Q CA -1.163 54.784 55.803 0.240 0.000 0.816 534 Q CB 3.029 31.859 28.738 0.153 0.000 1.325 534 Q HN 0.367 nan 8.270 nan 0.000 0.446 535 V N 4.029 124.016 119.914 0.122 0.000 2.521 535 V HA -0.004 4.116 4.120 -0.000 0.000 0.286 535 V C 0.955 177.066 176.094 0.029 0.000 1.034 535 V CA 0.569 62.888 62.300 0.032 0.000 1.045 535 V CB 0.332 32.195 31.823 0.068 0.000 0.974 535 V HN 0.778 nan 8.190 nan 0.000 0.480 536 L N 3.812 125.030 121.223 -0.009 0.000 2.357 536 L HA 0.497 4.837 4.340 -0.000 0.000 0.211 536 L C 1.040 177.899 176.870 -0.017 0.000 1.075 536 L CA 0.846 55.675 54.840 -0.017 0.000 0.830 536 L CB 0.195 42.219 42.059 -0.059 0.000 0.996 536 L HN 0.830 nan 8.230 nan 0.000 0.467 537 G N -0.155 108.637 108.800 -0.013 0.000 2.489 537 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 537 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 537 G C -1.618 173.294 174.900 0.019 0.000 1.487 537 G CA -0.749 44.351 45.100 0.000 0.000 0.795 537 G HN -0.127 nan 8.290 nan 0.000 0.513 538 R N 0.354 120.870 120.500 0.028 0.000 2.621 538 R HA 0.561 4.901 4.340 -0.000 0.000 0.292 538 R C -1.548 174.771 176.300 0.032 0.000 0.969 538 R CA -0.869 55.261 56.100 0.050 0.000 0.887 538 R CB 2.445 32.779 30.300 0.056 0.000 1.180 538 R HN 0.523 nan 8.270 nan 0.000 0.450 539 D N 1.149 121.581 120.400 0.053 0.000 2.738 539 D HA 0.355 4.995 4.640 -0.000 0.000 0.237 539 D C -0.867 175.412 176.300 -0.036 0.000 1.123 539 D CA -0.524 53.449 54.000 -0.044 0.000 0.856 539 D CB 2.401 43.111 40.800 -0.149 0.000 1.552 539 D HN 0.530 nan 8.370 nan 0.000 0.480 540 A N 1.909 124.662 122.820 -0.113 0.000 2.316 540 A HA 0.574 4.893 4.320 -0.000 0.000 0.284 540 A C -1.304 176.165 177.584 -0.191 0.000 1.115 540 A CA -0.171 51.837 52.037 -0.048 0.000 0.812 540 A CB 0.392 19.379 19.000 -0.022 0.000 1.064 540 A HN 0.517 nan 8.150 nan 0.000 0.489 541 Y N -0.072 120.240 120.300 0.021 0.000 2.499 541 Y HA 0.376 4.926 4.550 -0.000 0.000 0.347 541 Y C -0.248 175.667 175.900 0.024 0.000 0.987 541 Y CA -0.689 57.425 58.100 0.022 0.000 1.044 541 Y CB 2.054 40.525 38.460 0.018 0.000 1.245 541 Y HN 0.743 nan 8.280 nan 0.000 0.461 542 D N 1.864 122.372 120.400 0.181 0.000 2.339 542 D HA 0.407 5.047 4.640 -0.000 0.000 0.241 542 D C -0.045 176.346 176.300 0.151 0.000 1.183 542 D CA 0.046 54.125 54.000 0.132 0.000 0.859 542 D CB 1.232 42.086 40.800 0.090 0.000 1.067 542 D HN 0.640 nan 8.370 nan 0.000 0.484 543 A N 2.944 125.838 122.820 0.124 0.000 2.465 543 A HA 0.111 4.431 4.320 -0.000 0.000 0.255 543 A C 1.868 179.530 177.584 0.131 0.000 1.274 543 A CA 0.340 52.443 52.037 0.110 0.000 0.920 543 A CB -0.333 18.697 19.000 0.049 0.000 1.033 543 A HN 0.541 nan 8.150 nan 0.000 0.516 544 S N -0.369 115.396 115.700 0.108 0.000 2.402 544 S HA -0.135 4.335 4.470 -0.000 0.000 0.233 544 S C 1.942 176.603 174.600 0.101 0.000 1.030 544 S CA 1.517 59.774 58.200 0.095 0.000 1.003 544 S CB -0.981 62.261 63.200 0.069 0.000 0.813 544 S HN 0.719 nan 8.310 nan 0.000 0.477 545 G N 0.632 109.499 108.800 0.111 0.000 2.479 545 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 545 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 545 G C 0.318 175.294 174.900 0.128 0.000 1.115 545 G CA 0.107 45.270 45.100 0.105 0.000 0.757 545 G HN 0.581 nan 8.290 nan 0.000 0.560 546 F N 2.025 121.987 119.950 0.020 0.000 2.502 546 F HA 0.235 4.762 4.527 -0.000 0.000 0.371 546 F C 0.072 175.880 175.800 0.012 0.000 1.083 546 F CA -0.995 57.010 58.000 0.009 0.000 1.174 546 F CB 0.676 39.658 39.000 -0.028 0.000 1.096 546 F HN -0.078 nan 8.300 nan 0.000 0.545 547 D N 6.660 126.738 120.400 -0.538 0.000 2.359 547 D HA 0.095 4.735 4.640 -0.000 0.000 0.230 547 D C 0.797 176.759 176.300 -0.564 0.000 1.118 547 D CA -0.305 53.466 54.000 -0.381 0.000 0.844 547 D CB 1.189 41.848 40.800 -0.236 0.000 1.059 547 D HN 0.536 nan 8.370 nan 0.000 0.493 548 L N 4.183 125.230 121.223 -0.293 0.000 2.046 548 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 548 L C 2.521 179.324 176.870 -0.113 0.000 1.077 548 L CA 1.716 56.456 54.840 -0.167 0.000 0.747 548 L CB -0.691 41.377 42.059 0.015 0.000 0.896 548 L HN 0.586 nan 8.230 nan 0.000 0.432 549 A N -1.123 121.643 122.820 -0.090 0.000 2.015 549 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 549 A C 2.218 179.775 177.584 -0.045 0.000 1.163 549 A CA 1.610 53.621 52.037 -0.044 0.000 0.646 549 A CB -0.608 18.373 19.000 -0.031 0.000 0.806 549 A HN 0.360 nan 8.150 nan 0.000 0.448 550 L N -1.287 119.878 121.223 -0.096 0.000 2.162 550 L HA 0.324 4.664 4.340 -0.000 0.000 0.205 550 L C 1.505 178.356 176.870 -0.032 0.000 1.086 550 L CA 1.911 56.709 54.840 -0.069 0.000 0.778 550 L CB -0.320 41.684 42.059 -0.091 0.000 0.928 550 L HN 0.725 nan 8.230 nan 0.000 0.446 551 G N -1.024 107.717 108.800 -0.097 0.000 2.149 551 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.235 551 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.235 551 G C 0.387 175.410 174.900 0.205 0.000 1.018 551 G CA 0.215 45.407 45.100 0.153 0.000 0.728 551 G HN 0.960 nan 8.290 nan 0.000 0.508 552 G N -1.610 107.095 108.800 -0.158 0.000 2.727 552 G HA2 0.861 4.820 3.960 -0.000 0.000 0.289 552 G HA3 0.861 4.820 3.960 -0.000 0.000 0.289 552 G C -0.219 174.609 174.900 -0.120 0.000 1.418 552 G CA 0.542 45.667 45.100 0.042 0.000 0.818 552 G HN 1.333 nan 8.290 nan 0.000 0.486 553 T N -1.604 113.031 114.554 0.134 0.000 2.728 553 T HA 0.362 4.712 4.350 -0.000 0.000 0.296 553 T C 1.148 175.880 174.700 0.053 0.000 0.940 553 T CA -0.479 61.694 62.100 0.122 0.000 1.013 553 T CB 2.084 71.074 68.868 0.204 0.000 0.912 553 T HN 0.536 nan 8.240 nan 0.000 0.484 554 R N 1.935 122.441 120.500 0.009 0.000 2.066 554 R HA 0.005 4.344 4.340 -0.000 0.000 0.232 554 R C 1.145 177.466 176.300 0.035 0.000 1.131 554 R CA 1.131 57.237 56.100 0.012 0.000 0.955 554 R CB -0.158 30.138 30.300 -0.007 0.000 0.851 554 R HN 0.729 nan 8.270 nan 0.000 0.432 555 T N 0.213 114.797 114.554 0.049 0.000 2.856 555 T HA 0.412 4.762 4.350 -0.000 0.000 0.283 555 T C -2.726 172.027 174.700 0.088 0.000 1.008 555 T CA -2.735 59.401 62.100 0.061 0.000 0.997 555 T CB 1.626 70.525 68.868 0.052 0.000 0.992 555 T HN -0.145 nan 8.240 nan 0.000 0.454 556 P HA 0.005 nan 4.420 nan 0.000 0.263 556 P C -0.507 176.870 177.300 0.129 0.000 1.168 556 P CA -0.117 63.050 63.100 0.113 0.000 0.759 556 P CB 0.247 32.007 31.700 0.099 0.000 0.782 557 V N 5.268 125.268 119.914 0.143 0.000 2.585 557 V HA 0.038 4.157 4.120 -0.000 0.000 0.296 557 V C 1.054 177.277 176.094 0.215 0.000 1.035 557 V CA 0.660 63.050 62.300 0.150 0.000 1.084 557 V CB -0.222 31.639 31.823 0.063 0.000 0.953 557 V HN 0.456 nan 8.190 nan 0.000 0.483 558 R N 3.770 124.417 120.500 0.246 0.000 2.480 558 R HA 0.491 4.831 4.340 -0.000 0.000 0.306 558 R C -0.680 175.733 176.300 0.189 0.000 0.958 558 R CA -0.880 55.344 56.100 0.206 0.000 0.861 558 R CB 1.484 31.853 30.300 0.115 0.000 1.171 558 R HN 0.743 nan 8.270 nan 0.000 0.445 559 L N 2.970 124.230 121.223 0.062 0.000 2.525 559 L HA 0.003 4.342 4.340 -0.000 0.000 0.278 559 L C -0.420 176.337 176.870 -0.188 0.000 1.218 559 L CA 0.690 55.319 54.840 -0.350 0.000 0.878 559 L CB 0.456 42.310 42.059 -0.342 0.000 1.127 559 L HN 0.599 nan 8.230 nan 0.000 0.492 560 D N 6.205 126.467 120.400 -0.229 0.000 2.472 560 D HA 0.321 4.961 4.640 -0.000 0.000 0.234 560 D C -1.913 174.326 176.300 -0.102 0.000 1.088 560 D CA -2.145 51.791 54.000 -0.107 0.000 0.882 560 D CB 1.386 42.150 40.800 -0.059 0.000 1.037 560 D HN 0.238 nan 8.370 nan 0.000 0.520 561 P HA 0.077 nan 4.420 nan 0.000 0.233 561 P C 0.162 177.437 177.300 -0.041 0.000 1.167 561 P CA 0.393 63.456 63.100 -0.061 0.000 0.770 561 P CB 0.512 32.186 31.700 -0.043 0.000 0.837 562 D N -1.494 118.887 120.400 -0.032 0.000 2.339 562 D HA 0.037 4.676 4.640 -0.000 0.000 0.217 562 D C 0.042 176.331 176.300 -0.018 0.000 1.050 562 D CA 0.720 54.708 54.000 -0.020 0.000 0.856 562 D CB -0.198 40.594 40.800 -0.012 0.000 0.922 562 D HN 0.059 nan 8.370 nan 0.000 0.518 563 T N 2.750 117.288 114.554 -0.026 0.000 3.332 563 T HA 0.301 4.650 4.350 -0.000 0.000 0.385 563 T C -2.591 172.095 174.700 -0.023 0.000 1.695 563 T CA -1.475 60.613 62.100 -0.019 0.000 1.397 563 T CB 1.353 70.213 68.868 -0.014 0.000 1.100 563 T HN -0.083 nan 8.240 nan 0.000 0.669 564 P HA 0.212 nan 4.420 nan 0.000 0.268 564 P C -0.626 176.670 177.300 -0.007 0.000 1.204 564 P CA -0.348 62.742 63.100 -0.017 0.000 0.768 564 P CB 0.600 32.293 31.700 -0.011 0.000 0.842 565 V N 5.522 125.433 119.914 -0.004 0.000 2.293 565 V HA 0.287 4.406 4.120 -0.000 0.000 0.275 565 V C -1.690 174.414 176.094 0.015 0.000 1.021 565 V CA -1.651 60.656 62.300 0.012 0.000 0.815 565 V CB 0.792 32.629 31.823 0.023 0.000 1.025 565 V HN 0.598 nan 8.190 nan 0.000 0.448 566 P HA 0.314 nan 4.420 nan 0.000 0.274 566 P C -0.433 176.884 177.300 0.027 0.000 1.231 566 P CA -0.393 62.718 63.100 0.017 0.000 0.790 566 P CB 1.375 33.084 31.700 0.014 0.000 0.951 567 L N 1.104 122.344 121.223 0.029 0.000 2.397 567 L HA 0.324 4.664 4.340 -0.000 0.000 0.271 567 L C 1.158 178.052 176.870 0.040 0.000 1.148 567 L CA -0.809 54.055 54.840 0.040 0.000 0.825 567 L CB 0.433 42.515 42.059 0.038 0.000 1.117 567 L HN 0.470 nan 8.230 nan 0.000 0.456 568 A N 4.202 127.055 122.820 0.055 0.000 2.511 568 A HA 0.224 4.544 4.320 -0.000 0.000 0.242 568 A C -1.521 176.087 177.584 0.041 0.000 1.069 568 A CA -0.950 51.119 52.037 0.053 0.000 0.763 568 A CB -0.115 18.933 19.000 0.080 0.000 1.001 568 A HN 0.631 nan 8.150 nan 0.000 0.498 569 P HA -0.147 nan 4.420 nan 0.000 0.221 569 P C 0.628 177.936 177.300 0.014 0.000 1.145 569 P CA 1.569 64.675 63.100 0.009 0.000 0.795 569 P CB 0.014 31.711 31.700 -0.005 0.000 0.775 570 N N -0.521 118.204 118.700 0.042 0.000 2.270 570 N HA -0.054 4.686 4.740 -0.000 0.000 0.198 570 N C 0.584 176.126 175.510 0.054 0.000 1.117 570 N CA 0.114 53.196 53.050 0.054 0.000 0.845 570 N CB -0.829 37.726 38.487 0.114 0.000 0.980 570 N HN 0.298 nan 8.380 nan 0.000 0.486 571 E N 0.211 120.446 120.200 0.059 0.000 2.496 571 E HA 0.178 4.528 4.350 -0.000 0.000 0.202 571 E C 0.312 176.955 176.600 0.071 0.000 1.021 571 E CA -0.277 56.173 56.400 0.084 0.000 1.015 571 E CB -0.216 29.561 29.700 0.128 0.000 1.102 571 E HN 0.223 nan 8.360 nan 0.000 0.452 572 L N 0.270 121.499 121.223 0.010 0.000 2.640 572 L HA 0.359 4.698 4.340 -0.000 0.000 0.230 572 L C 1.172 177.996 176.870 -0.075 0.000 1.123 572 L CA -0.062 54.771 54.840 -0.011 0.000 0.900 572 L CB 0.412 42.440 42.059 -0.052 0.000 1.146 572 L HN 0.279 nan 8.230 nan 0.000 0.484 573 G N -1.309 107.438 108.800 -0.089 0.000 2.945 573 G HA2 0.248 4.208 3.960 -0.000 0.000 0.156 573 G HA3 0.248 4.208 3.960 -0.000 0.000 0.156 573 G C -0.967 173.961 174.900 0.046 0.000 1.375 573 G CA -0.497 44.500 45.100 -0.172 0.000 1.039 573 G HN 0.209 nan 8.290 nan 0.000 0.586 574 H N 0.405 119.636 119.070 0.268 0.000 2.562 574 H HA 0.505 5.061 4.556 -0.000 0.000 0.314 574 H C -0.150 175.303 175.328 0.208 0.000 1.079 574 H CA -0.162 56.046 56.048 0.266 0.000 1.349 574 H CB 1.300 31.217 29.762 0.259 0.000 1.432 574 H HN -0.014 nan 8.280 nan 0.000 0.479 575 K N 2.056 122.681 120.400 0.374 0.000 2.426 575 K HA 0.149 4.469 4.320 -0.000 0.000 0.251 575 K C -0.405 176.286 176.600 0.150 0.000 0.941 575 K CA -0.697 55.723 56.287 0.222 0.000 0.808 575 K CB 2.196 34.881 32.500 0.308 0.000 1.265 575 K HN 0.831 nan 8.250 nan 0.000 0.432 576 D N -1.607 118.702 120.400 -0.151 0.000 2.516 576 D HA 0.098 4.737 4.640 -0.000 0.000 0.241 576 D C -0.406 175.642 176.300 -0.421 0.000 1.246 576 D CA -0.051 53.852 54.000 -0.161 0.000 0.808 576 D CB 0.570 41.478 40.800 0.181 0.000 1.147 576 D HN 0.042 nan 8.370 nan 0.000 0.527 577 V N 1.667 121.194 119.914 -0.645 0.000 2.419 577 V HA 0.485 4.604 4.120 -0.000 0.000 0.287 577 V C -1.401 174.354 176.094 -0.564 0.000 1.017 577 V CA -0.749 61.245 62.300 -0.511 0.000 0.844 577 V CB 0.773 32.467 31.823 -0.214 0.000 1.011 577 V HN 0.077 nan 8.190 nan 0.000 0.429 578 F N 1.697 121.674 119.950 0.046 0.000 2.508 578 F HA 0.618 5.145 4.527 -0.000 0.000 0.325 578 F C 0.449 176.262 175.800 0.022 0.000 1.090 578 F CA -1.005 57.017 58.000 0.036 0.000 0.945 578 F CB 1.242 40.266 39.000 0.040 0.000 1.156 578 F HN 0.326 nan 8.300 nan 0.000 0.463 579 Q N 1.531 121.469 119.800 0.231 0.000 2.314 579 Q HA 0.477 4.817 4.340 -0.000 0.000 0.258 579 Q C -0.860 175.234 176.000 0.157 0.000 0.954 579 Q CA -0.520 55.380 55.803 0.163 0.000 0.890 579 Q CB 2.026 30.846 28.738 0.137 0.000 1.210 579 Q HN 0.544 nan 8.270 nan 0.000 0.410 580 V N 4.418 124.411 119.914 0.132 0.000 2.320 580 V HA 0.242 4.362 4.120 -0.000 0.000 0.268 580 V C -2.226 173.941 176.094 0.122 0.000 1.021 580 V CA -1.788 60.590 62.300 0.130 0.000 0.813 580 V CB 0.587 32.480 31.823 0.116 0.000 1.054 580 V HN 0.660 nan 8.190 nan 0.000 0.444 581 P HA 0.490 nan 4.420 nan 0.000 0.275 581 P C 0.296 177.647 177.300 0.085 0.000 1.270 581 P CA 0.161 63.304 63.100 0.072 0.000 0.791 581 P CB 0.896 32.633 31.700 0.061 0.000 1.089 582 G N -1.440 107.399 108.800 0.065 0.000 2.677 582 G HA2 0.560 4.519 3.960 -0.000 0.000 0.291 582 G HA3 0.560 4.519 3.960 -0.000 0.000 0.291 582 G C -3.117 171.816 174.900 0.056 0.000 1.435 582 G CA -1.189 43.953 45.100 0.068 0.000 0.826 582 G HN 0.336 nan 8.290 nan 0.000 0.491 583 P HA 0.280 nan 4.420 nan 0.000 0.282 583 P C -0.788 176.597 177.300 0.142 0.000 1.274 583 P CA 0.143 63.289 63.100 0.078 0.000 0.770 583 P CB 1.600 33.348 31.700 0.079 0.000 0.867 584 Q N 1.690 121.582 119.800 0.153 0.000 2.578 584 Q HA 0.577 4.917 4.340 -0.000 0.000 0.284 584 Q C -1.324 174.813 176.000 0.228 0.000 0.960 584 Q CA -0.802 55.148 55.803 0.245 0.000 0.809 584 Q CB 2.267 31.100 28.738 0.158 0.000 1.462 584 Q HN 0.571 nan 8.270 nan 0.000 0.392 585 G N 1.193 110.214 108.800 0.368 0.000 2.416 585 G HA2 0.639 4.599 3.960 -0.000 0.000 0.329 585 G HA3 0.639 4.599 3.960 -0.000 0.000 0.329 585 G C -1.776 173.243 174.900 0.198 0.000 1.173 585 G CA -0.398 44.857 45.100 0.258 0.000 0.929 585 G HN 0.426 nan 8.290 nan 0.000 0.475 586 L N 0.957 122.277 121.223 0.160 0.000 2.408 586 L HA 0.758 5.098 4.340 -0.000 0.000 0.268 586 L C -0.341 176.566 176.870 0.061 0.000 0.986 586 L CA -0.821 54.091 54.840 0.120 0.000 0.820 586 L CB 1.989 44.132 42.059 0.141 0.000 1.303 586 L HN 0.503 nan 8.230 nan 0.000 0.411 587 R N 3.803 124.306 120.500 0.005 0.000 2.343 587 R HA 0.757 5.097 4.340 -0.000 0.000 0.320 587 R C -1.103 175.144 176.300 -0.087 0.000 0.956 587 R CA -0.602 55.474 56.100 -0.040 0.000 0.836 587 R CB 1.763 32.041 30.300 -0.037 0.000 1.151 587 R HN 0.637 nan 8.270 nan 0.000 0.450 588 V N 0.585 120.425 119.914 -0.124 0.000 2.960 588 V HA 0.734 4.853 4.120 -0.000 0.000 0.315 588 V C -0.561 175.560 176.094 0.044 0.000 1.087 588 V CA -1.052 61.166 62.300 -0.135 0.000 0.982 588 V CB 2.203 33.729 31.823 -0.494 0.000 1.039 588 V HN 0.792 nan 8.190 nan 0.000 0.437 589 M N 2.402 122.102 119.600 0.165 0.000 2.378 589 M HA 0.853 5.333 4.480 -0.000 0.000 0.289 589 M C -0.462 175.880 176.300 0.070 0.000 1.136 589 M CA 0.013 55.397 55.300 0.140 0.000 0.917 589 M CB 2.103 34.697 32.600 -0.010 0.000 1.669 589 M HN 1.310 nan 8.290 nan 0.000 0.461 590 G N 2.525 111.211 108.800 -0.191 0.000 2.649 590 G HA2 0.457 4.417 3.960 -0.000 0.000 0.290 590 G HA3 0.457 4.417 3.960 -0.000 0.000 0.290 590 G C -2.382 172.150 174.900 -0.614 0.000 1.426 590 G CA -0.686 43.919 45.100 -0.825 0.000 0.794 590 G HN 0.655 nan 8.290 nan 0.000 0.483 591 K N 0.396 120.331 120.400 -0.776 0.000 2.413 591 K HA 0.502 4.822 4.320 -0.000 0.000 0.257 591 K C -1.229 175.006 176.600 -0.608 0.000 0.946 591 K CA -0.691 55.203 56.287 -0.655 0.000 0.823 591 K CB 1.041 33.125 32.500 -0.694 0.000 1.109 591 K HN 0.277 nan 8.250 nan 0.000 0.427 592 F N 3.188 122.953 119.950 -0.309 0.000 2.423 592 F HA 0.169 4.696 4.527 -0.000 0.000 0.356 592 F C 0.229 175.937 175.800 -0.153 0.000 1.170 592 F CA -0.318 57.572 58.000 -0.183 0.000 1.163 592 F CB 0.591 39.565 39.000 -0.043 0.000 1.318 592 F HN 0.414 nan 8.300 nan 0.000 0.569 593 D N 1.028 121.361 120.400 -0.110 0.000 2.649 593 D HA 0.474 5.113 4.640 -0.000 0.000 0.249 593 D C 0.543 176.763 176.300 -0.133 0.000 1.112 593 D CA 0.056 53.978 54.000 -0.131 0.000 0.850 593 D CB 1.865 42.558 40.800 -0.178 0.000 1.399 593 D HN 0.590 nan 8.370 nan 0.000 0.503 594 G N 1.414 110.124 108.800 -0.150 0.000 2.153 594 G HA2 0.154 4.114 3.960 -0.000 0.000 0.252 594 G HA3 0.154 4.114 3.960 -0.000 0.000 0.252 594 G C 0.276 175.062 174.900 -0.190 0.000 0.994 594 G CA 0.596 45.612 45.100 -0.141 0.000 0.698 594 G HN 1.026 nan 8.290 nan 0.000 0.521 595 A N -1.727 120.896 122.820 -0.329 0.000 2.586 595 A HA 0.827 5.147 4.320 -0.000 0.000 0.291 595 A C -1.199 176.204 177.584 -0.302 0.000 1.062 595 A CA -0.678 51.202 52.037 -0.261 0.000 0.666 595 A CB 0.931 19.958 19.000 0.045 0.000 1.281 595 A HN 1.119 nan 8.150 nan 0.000 0.421 596 Y N -0.472 120.018 120.300 0.318 0.000 2.576 596 Y HA 0.825 5.375 4.550 -0.001 0.000 0.346 596 Y C 0.858 176.927 175.900 0.281 0.000 1.018 596 Y CA 0.126 58.420 58.100 0.323 0.000 1.050 596 Y CB 2.264 40.824 38.460 0.167 0.000 1.280 596 Y HN 2.024 nan 8.280 nan 0.000 0.474 597 G N 0.847 109.857 108.800 0.350 0.000 2.270 597 G HA2 0.069 4.029 3.960 -0.000 0.000 0.268 597 G HA3 0.069 4.029 3.960 -0.000 0.000 0.268 597 G C -1.812 172.890 174.900 -0.330 0.000 1.312 597 G CA -1.298 43.729 45.100 -0.122 0.000 1.050 597 G HN 0.650 nan 8.290 nan 0.000 0.474 598 R N -0.417 119.709 120.500 -0.622 0.000 2.346 598 R HA 0.754 5.094 4.340 -0.000 0.000 0.311 598 R C -0.937 174.919 176.300 -0.740 0.000 0.983 598 R CA -0.367 55.418 56.100 -0.524 0.000 0.880 598 R CB 0.495 30.429 30.300 -0.610 0.000 1.100 598 R HN 0.350 nan 8.270 nan 0.000 0.453 599 F N 1.859 121.638 119.950 -0.284 0.000 2.691 599 F HA 0.552 5.079 4.527 -0.000 0.000 0.334 599 F C -0.158 175.494 175.800 -0.246 0.000 1.107 599 F CA -1.068 56.712 58.000 -0.367 0.000 0.991 599 F CB 1.418 39.891 39.000 -0.878 0.000 1.400 599 F HN 0.123 nan 8.300 nan 0.000 0.503 600 M N 1.243 120.740 119.600 -0.172 0.000 2.528 600 M HA 0.393 4.873 4.480 -0.000 0.000 0.321 600 M C -1.232 175.285 176.300 0.362 0.000 1.153 600 M CA -0.795 54.433 55.300 -0.120 0.000 0.951 600 M CB 1.764 33.950 32.600 -0.690 0.000 1.705 600 M HN 0.658 nan 8.290 nan 0.000 0.451 601 Y N -0.232 120.350 120.300 0.470 0.000 2.512 601 Y HA 0.835 5.384 4.550 -0.000 0.000 0.348 601 Y C -0.962 175.172 175.900 0.390 0.000 0.990 601 Y CA -0.964 57.383 58.100 0.411 0.000 1.033 601 Y CB 1.400 40.227 38.460 0.612 0.000 1.259 601 Y HN 0.882 nan 8.280 nan 0.000 0.461 602 H N -0.104 119.182 119.070 0.360 0.000 2.950 602 H HA 0.439 4.995 4.556 -0.000 0.000 0.307 602 H C -1.613 173.863 175.328 0.248 0.000 1.403 602 H CA -1.537 54.625 56.048 0.190 0.000 1.145 602 H CB 0.589 30.393 29.762 0.071 0.000 1.844 602 H HN 1.102 nan 8.280 nan 0.000 0.515 603 C N 1.692 121.181 119.300 0.315 0.000 2.593 603 C HA 0.156 4.616 4.460 -0.000 0.000 0.409 603 C C 1.127 176.361 174.990 0.407 0.000 1.304 603 C CA -0.133 59.065 59.018 0.299 0.000 2.007 603 C CB -0.718 27.201 27.740 0.297 0.000 2.614 603 C HN 0.995 nan 8.230 nan 0.000 0.585 604 H N 4.655 123.899 119.070 0.291 0.000 2.567 604 H HA 0.271 4.827 4.556 -0.000 0.000 0.294 604 H C -0.100 175.315 175.328 0.145 0.000 1.050 604 H CA 0.282 56.499 56.048 0.282 0.000 1.168 604 H CB -0.045 29.854 29.762 0.228 0.000 1.422 604 H HN 0.595 nan 8.280 nan 0.000 0.562 605 L N 2.108 123.415 121.223 0.141 0.000 2.268 605 L HA 0.088 4.428 4.340 -0.000 0.000 0.289 605 L C 1.528 178.333 176.870 -0.108 0.000 1.064 605 L CA -0.283 54.545 54.840 -0.020 0.000 0.824 605 L CB 1.355 43.331 42.059 -0.139 0.000 1.202 605 L HN 0.187 nan 8.230 nan 0.000 0.433 606 L N 1.800 122.931 121.223 -0.153 0.000 2.081 606 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 606 L C 1.951 178.685 176.870 -0.226 0.000 1.080 606 L CA 1.353 56.058 54.840 -0.226 0.000 0.754 606 L CB -0.142 41.782 42.059 -0.225 0.000 0.893 606 L HN 0.671 nan 8.230 nan 0.000 0.433 607 E N -0.984 119.093 120.200 -0.204 0.000 2.204 607 E HA -0.163 4.186 4.350 -0.000 0.000 0.194 607 E C 1.961 178.544 176.600 -0.029 0.000 0.989 607 E CA 1.020 57.325 56.400 -0.158 0.000 0.824 607 E CB -0.201 29.436 29.700 -0.106 0.000 0.756 607 E HN 0.592 nan 8.360 nan 0.000 0.477 608 H N -0.539 118.495 119.070 -0.059 0.000 2.372 608 H HA 0.037 4.593 4.556 -0.000 0.000 0.301 608 H C 1.997 177.274 175.328 -0.085 0.000 1.065 608 H CA 0.811 56.843 56.048 -0.027 0.000 1.364 608 H CB 0.226 30.039 29.762 0.085 0.000 1.406 608 H HN 0.156 nan 8.280 nan 0.000 0.521 609 E N 0.997 121.202 120.200 0.008 0.000 2.130 609 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 609 E C 1.078 177.544 176.600 -0.224 0.000 0.998 609 E CA 1.519 57.832 56.400 -0.144 0.000 0.806 609 E CB 0.106 29.635 29.700 -0.285 0.000 0.738 609 E HN 0.399 nan 8.360 nan 0.000 0.459 610 D N -0.508 119.758 120.400 -0.224 0.000 2.317 610 D HA -0.022 4.617 4.640 -0.000 0.000 0.211 610 D C 0.497 176.682 176.300 -0.193 0.000 0.966 610 D CA 0.785 54.636 54.000 -0.249 0.000 0.876 610 D CB 0.173 40.779 40.800 -0.324 0.000 0.927 610 D HN 0.264 nan 8.370 nan 0.000 0.519 611 M N -0.667 118.832 119.600 -0.168 0.000 3.231 611 M HA 0.296 4.776 4.480 -0.000 0.000 0.231 611 M C 0.805 177.020 176.300 -0.141 0.000 1.136 611 M CA -0.292 54.887 55.300 -0.202 0.000 0.990 611 M CB 1.123 33.503 32.600 -0.367 0.000 1.291 611 M HN 0.020 nan 8.290 nan 0.000 0.565 612 G N 1.332 110.075 108.800 -0.094 0.000 2.212 612 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.266 612 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.266 612 G C 0.428 175.336 174.900 0.014 0.000 0.978 612 G CA 0.182 45.275 45.100 -0.011 0.000 0.632 612 G HN 0.595 nan 8.290 nan 0.000 0.537 613 M N 0.725 120.317 119.600 -0.014 0.000 3.759 613 M HA 0.667 5.147 4.480 -0.000 0.000 0.190 613 M C 0.249 176.570 176.300 0.035 0.000 1.478 613 M CA 0.410 55.723 55.300 0.020 0.000 1.691 613 M CB -0.359 32.258 32.600 0.030 0.000 1.113 613 M HN 0.439 nan 8.290 nan 0.000 0.542 614 M N 0.805 120.414 119.600 0.015 0.000 2.471 614 M HA 0.536 5.016 4.480 -0.000 0.000 0.284 614 M C -1.845 174.491 176.300 0.061 0.000 1.203 614 M CA -0.706 54.591 55.300 -0.005 0.000 0.915 614 M CB 1.743 34.227 32.600 -0.194 0.000 1.734 614 M HN 0.139 nan 8.290 nan 0.000 0.485 615 R N 2.785 123.219 120.500 -0.110 0.000 2.698 615 R HA 0.666 5.006 4.340 -0.000 0.000 0.275 615 R C -2.982 173.366 176.300 0.081 0.000 1.001 615 R CA -1.542 54.468 56.100 -0.150 0.000 0.896 615 R CB 2.278 32.173 30.300 -0.675 0.000 1.218 615 R HN 0.441 nan 8.270 nan 0.000 0.462 616 P HA 0.396 nan 4.420 nan 0.000 0.281 616 P C -0.983 176.586 177.300 0.448 0.000 1.249 616 P CA -0.307 62.987 63.100 0.323 0.000 0.810 616 P CB 0.663 32.508 31.700 0.241 0.000 1.008 617 F N -0.364 119.843 119.950 0.428 0.000 2.620 617 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 617 F C -1.501 174.539 175.800 0.401 0.000 1.069 617 F CA -1.563 56.700 58.000 0.438 0.000 0.953 617 F CB 0.920 40.307 39.000 0.645 0.000 1.322 617 F HN -0.008 nan 8.300 nan 0.000 0.479 618 V N 2.540 122.720 119.914 0.443 0.000 2.495 618 V HA 0.601 4.720 4.120 -0.000 0.000 0.298 618 V C -0.753 175.597 176.094 0.427 0.000 1.031 618 V CA -0.824 61.656 62.300 0.300 0.000 0.871 618 V CB 1.642 33.565 31.823 0.167 0.000 0.988 618 V HN 0.771 nan 8.190 nan 0.000 0.432 619 V N 6.755 126.961 119.914 0.486 0.000 2.417 619 V HA 0.661 4.781 4.120 -0.000 0.000 0.291 619 V C -0.041 176.317 176.094 0.440 0.000 1.024 619 V CA -0.360 62.218 62.300 0.464 0.000 0.861 619 V CB 1.488 33.623 31.823 0.521 0.000 0.985 619 V HN 0.967 nan 8.190 nan 0.000 0.436 620 M N 4.611 124.433 119.600 0.369 0.000 2.618 620 M HA 0.762 5.241 4.480 -0.000 0.000 0.281 620 M C -3.133 173.345 176.300 0.296 0.000 1.267 620 M CA -2.242 53.242 55.300 0.306 0.000 0.845 620 M CB 2.427 35.111 32.600 0.141 0.000 1.732 620 M HN 0.198 nan 8.290 nan 0.000 0.461 621 P HA 0.193 nan 4.420 nan 0.000 0.265 621 P C -2.215 175.161 177.300 0.127 0.000 1.193 621 P CA -0.643 62.549 63.100 0.152 0.000 0.765 621 P CB -0.077 31.602 31.700 -0.035 0.000 0.823 622 P HA -0.241 nan 4.420 nan 0.000 0.216 622 P C 1.081 178.418 177.300 0.062 0.000 1.154 622 P CA 1.676 64.829 63.100 0.088 0.000 0.865 622 P CB -0.089 31.659 31.700 0.081 0.000 0.789 623 E N -0.476 119.766 120.200 0.071 0.000 2.160 623 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 623 E C 2.074 178.759 176.600 0.140 0.000 0.991 623 E CA 1.566 58.013 56.400 0.080 0.000 0.810 623 E CB -1.007 28.749 29.700 0.093 0.000 0.742 623 E HN 0.233 nan 8.360 nan 0.000 0.466 624 A N 0.154 123.057 122.820 0.138 0.000 2.016 624 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 624 A C 1.974 179.674 177.584 0.193 0.000 1.162 624 A CA 0.462 52.629 52.037 0.217 0.000 0.662 624 A CB -0.287 18.770 19.000 0.095 0.000 0.812 624 A HN 0.186 nan 8.150 nan 0.000 0.450 625 L N -0.026 121.249 121.223 0.087 0.000 2.131 625 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 625 L C 2.093 178.937 176.870 -0.044 0.000 1.092 625 L CA 1.599 56.464 54.840 0.042 0.000 0.759 625 L CB -0.342 41.737 42.059 0.034 0.000 0.903 625 L HN 0.202 nan 8.230 nan 0.000 0.435 626 K N -0.926 119.368 120.400 -0.176 0.000 2.286 626 K HA -0.138 4.182 4.320 -0.000 0.000 0.203 626 K C 1.242 177.496 176.600 -0.576 0.000 1.045 626 K CA 1.255 57.276 56.287 -0.444 0.000 0.935 626 K CB -0.348 31.736 32.500 -0.693 0.000 0.737 626 K HN 0.324 nan 8.250 nan 0.000 0.460 627 F N 0.608 120.561 119.950 0.004 0.000 2.647 627 F HA 0.181 4.708 4.527 -0.000 0.000 0.300 627 F C -0.415 175.386 175.800 0.001 0.000 1.106 627 F CA -0.631 57.369 58.000 -0.000 0.000 1.313 627 F CB 0.268 39.264 39.000 -0.006 0.000 1.007 627 F HN -0.113 nan 8.300 nan 0.000 0.536 628 D N 0.000 120.454 120.400 0.090 0.000 6.856 628 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 628 D CA 0.000 54.040 54.000 0.066 0.000 0.868 628 D CB 0.000 40.840 40.800 0.068 0.000 0.688 628 D HN 0.000 nan 8.370 nan 0.000 0.683