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 3n8y_1_A DATA FIRST_RESID 32 DATA SEQUENCE PVNPccYYPc QHQGIcVRFG LDRYQcDcTR TGYSGPNcTI PEIWTWLRTT DATA SEQUENCE LRPSPSFIHF LLTHGRWLWD FVNATFIRDT LMRLVLTVRS NLIPSPPTYN DATA SEQUENCE IAHDYISWES FSNVSYYTRI LPSVPRDcPT PMGTKGKKQL PDAEFLSRRF DATA SEQUENCE LLRRKFIPDP QGTNLMFAFF AQHFTHQFFK TSGKMGPGFT KALGHGVDLG DATA SEQUENCE HIYGDNLERQ YQLRLFKDGK LKYQMLNGEV YPPSVEEAPV LMHYPRGIPP DATA SEQUENCE QSQMAVGQEV FGLLPGLMLY ATIWLREHNR VCDLLKAEHP TWGDEQLFQT DATA SEQUENCE ARLILIGETI KIVIEEYVQQ LSGYFLQLKF DPELLFGAQF QYRNRIAMEF DATA SEQUENCE NQLYHWHPLM PDSFRVGPQD YSYEQFLFNT SMLVDYGVEA LVDAFSRQPA DATA SEQUENCE GRIGGGRNID HHILHVAVDV IKESRVLRLQ PFNEYRKRFG MKPYTSFQEL DATA SEQUENCE TGEKEMAAEL EELYGDIDAL EFYPGLLLEK CHPNSIFGES MIEMGAPFSL DATA SEQUENCE KGLLGNPICS PEYWKASTFG GEVGFNLVKT ATLKKLVcLN TKTcPYVSFH DATA SEQUENCE VPD 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 32 P HA 0.000 nan 4.420 nan 0.000 0.216 32 P C 0.000 177.317 177.300 0.028 0.000 1.155 32 P CA 0.000 63.115 63.100 0.025 0.000 0.800 32 P CB 0.000 31.716 31.700 0.027 0.000 0.726 33 V N 0.024 119.960 119.914 0.038 0.000 2.599 33 V HA 0.257 4.377 4.120 0.001 0.000 0.300 33 V C 0.544 176.669 176.094 0.051 0.000 1.034 33 V CA -0.338 61.990 62.300 0.046 0.000 1.115 33 V CB 0.560 32.431 31.823 0.081 0.000 0.934 33 V HN 0.642 nan 8.190 nan 0.000 0.485 34 N N 5.976 124.689 118.700 0.022 0.000 2.452 34 N HA 0.243 4.983 4.740 0.001 0.000 0.266 34 N C -1.605 173.923 175.510 0.030 0.000 1.175 34 N CA -1.840 51.216 53.050 0.010 0.000 0.945 34 N CB 1.603 40.072 38.487 -0.031 0.000 1.063 34 N HN 0.467 nan 8.380 nan 0.000 0.472 35 P HA 0.046 nan 4.420 nan 0.000 0.221 35 P C 0.896 178.115 177.300 -0.134 0.000 1.150 35 P CA 0.705 63.797 63.100 -0.013 0.000 0.800 35 P CB 0.248 31.942 31.700 -0.010 0.000 0.787 36 c N -1.813 116.709 118.600 -0.131 0.000 2.491 36 c HA -0.010 4.560 4.570 0.001 0.000 0.277 36 c C 2.556 176.459 174.090 -0.311 0.000 1.455 36 c CA 0.175 56.396 56.329 -0.179 0.000 1.758 36 c CB -2.101 40.358 42.510 -0.085 0.000 1.745 36 c HN 0.335 nan 8.230 nan 0.000 0.558 37 c N -0.627 117.779 118.600 -0.323 0.000 2.432 37 c HA -0.078 4.492 4.570 0.001 0.000 0.282 37 c C 2.090 175.669 174.090 -0.851 0.000 1.388 37 c CA 0.682 56.667 56.329 -0.573 0.000 1.777 37 c CB -1.544 40.706 42.510 -0.435 0.000 1.882 37 c HN 0.694 nan 8.230 nan 0.000 0.520 38 Y N -1.421 118.572 120.300 -0.511 0.000 2.546 38 Y HA 0.105 4.656 4.550 0.000 0.000 0.287 38 Y C 0.600 176.337 175.900 -0.272 0.000 1.158 38 Y CA 0.114 57.999 58.100 -0.358 0.000 1.307 38 Y CB -0.699 37.618 38.460 -0.238 0.000 1.036 38 Y HN 0.304 nan 8.280 nan 0.000 0.532 39 Y N -1.228 119.057 120.300 -0.025 0.000 3.001 39 Y HA -0.231 4.319 4.550 0.001 0.000 0.199 39 Y C -1.635 174.221 175.900 -0.073 0.000 1.320 39 Y CA -0.657 57.402 58.100 -0.068 0.000 0.974 39 Y CB -1.928 36.484 38.460 -0.081 0.000 1.291 39 Y HN 0.205 nan 8.280 nan 0.000 0.465 40 P HA -0.067 nan 4.420 nan 0.000 0.217 40 P C 0.343 177.653 177.300 0.016 0.000 1.151 40 P CA 1.048 64.120 63.100 -0.047 0.000 0.828 40 P CB 0.173 31.721 31.700 -0.253 0.000 0.788 41 c N 3.214 121.837 118.600 0.038 0.000 2.619 41 c HA 0.262 4.832 4.570 0.001 0.000 0.389 41 c C 0.813 174.880 174.090 -0.039 0.000 1.314 41 c CA -0.628 55.729 56.329 0.047 0.000 1.678 41 c CB -1.319 41.244 42.510 0.088 0.000 2.398 41 c HN 0.278 nan 8.230 nan 0.000 0.582 42 Q N 0.801 120.536 119.800 -0.108 0.000 2.221 42 Q HA 0.255 4.595 4.340 0.001 0.000 0.242 42 Q C 0.272 176.094 176.000 -0.297 0.000 0.940 42 Q CA -0.336 55.273 55.803 -0.323 0.000 0.896 42 Q CB 0.394 28.825 28.738 -0.511 0.000 1.226 42 Q HN 0.941 nan 8.270 nan 0.000 0.463 43 H N 0.761 119.705 119.070 -0.210 0.000 2.748 43 H HA -0.200 4.356 4.556 0.001 0.000 0.322 43 H C -0.212 175.066 175.328 -0.082 0.000 1.208 43 H CA 0.731 56.665 56.048 -0.189 0.000 1.151 43 H CB -1.751 27.774 29.762 -0.395 0.000 1.505 43 H HN 0.719 nan 8.280 nan 0.000 0.429 44 Q N -3.083 116.706 119.800 -0.018 0.000 2.424 44 Q HA -0.169 4.171 4.340 0.001 0.000 0.234 44 Q C 1.102 177.127 176.000 0.042 0.000 0.748 44 Q CA 0.942 56.745 55.803 0.000 0.000 1.286 44 Q CB -1.342 27.399 28.738 0.005 0.000 1.494 44 Q HN 0.809 nan 8.270 nan 0.000 0.683 45 G N 0.718 109.545 108.800 0.044 0.000 2.491 45 G HA2 0.429 4.389 3.960 0.001 0.000 0.242 45 G HA3 0.429 4.389 3.960 0.001 0.000 0.242 45 G C -0.103 174.845 174.900 0.080 0.000 1.266 45 G CA -0.334 44.809 45.100 0.072 0.000 0.844 45 G HN 0.199 nan 8.290 nan 0.000 0.571 46 I N 1.125 121.759 120.570 0.107 0.000 2.330 46 I HA 0.165 4.336 4.170 0.001 0.000 0.289 46 I C 0.344 176.543 176.117 0.136 0.000 1.001 46 I CA -0.573 60.800 61.300 0.121 0.000 1.193 46 I CB 1.586 39.675 38.000 0.148 0.000 1.345 46 I HN 0.367 nan 8.210 nan 0.000 0.461 47 c N 7.824 126.495 118.600 0.118 0.000 2.566 47 c HA 0.471 5.041 4.570 0.001 0.000 0.393 47 c C 0.257 174.435 174.090 0.147 0.000 1.309 47 c CA -0.093 56.327 56.329 0.153 0.000 1.801 47 c CB -0.774 41.786 42.510 0.083 0.000 2.493 47 c HN 0.568 nan 8.230 nan 0.000 0.575 48 V N 7.472 127.520 119.914 0.222 0.000 2.531 48 V HA 0.434 4.554 4.120 0.001 0.000 0.301 48 V C 0.044 176.274 176.094 0.227 0.000 1.034 48 V CA -0.736 61.669 62.300 0.174 0.000 0.865 48 V CB 1.692 33.637 31.823 0.204 0.000 0.995 48 V HN 0.802 nan 8.190 nan 0.000 0.424 49 R N 2.894 123.420 120.500 0.044 0.000 2.442 49 R HA 0.484 4.824 4.340 0.001 0.000 0.291 49 R C -1.399 174.834 176.300 -0.111 0.000 1.069 49 R CA 0.439 56.566 56.100 0.045 0.000 1.022 49 R CB 0.219 30.501 30.300 -0.029 0.000 0.976 49 R HN 0.532 nan 8.270 nan 0.000 0.443 50 F N 3.150 123.120 119.950 0.033 0.000 2.547 50 F HA 0.460 4.987 4.527 0.001 0.000 0.316 50 F C 1.160 176.965 175.800 0.009 0.000 1.121 50 F CA 0.391 58.396 58.000 0.009 0.000 0.911 50 F CB 2.238 41.233 39.000 -0.007 0.000 1.179 50 F HN 0.790 nan 8.300 nan 0.000 0.443 51 G N 2.719 111.604 108.800 0.142 0.000 2.583 51 G HA2 -0.315 3.646 3.960 0.001 0.000 0.292 51 G HA3 -0.315 3.646 3.960 0.001 0.000 0.292 51 G C 0.664 175.598 174.900 0.057 0.000 1.203 51 G CA 0.546 45.699 45.100 0.089 0.000 0.987 51 G HN 0.629 nan 8.290 nan 0.000 0.554 52 L N 0.486 121.743 121.223 0.056 0.000 2.189 52 L HA 0.279 4.619 4.340 0.001 0.000 0.199 52 L C 2.115 179.018 176.870 0.056 0.000 1.074 52 L CA 1.798 56.664 54.840 0.043 0.000 0.783 52 L CB -0.186 41.894 42.059 0.034 0.000 0.955 52 L HN 0.722 nan 8.230 nan 0.000 0.460 53 D N -2.030 118.412 120.400 0.069 0.000 2.527 53 D HA 0.114 4.755 4.640 0.001 0.000 0.224 53 D C 0.518 176.892 176.300 0.123 0.000 1.217 53 D CA -0.314 53.735 54.000 0.081 0.000 0.819 53 D CB 0.342 41.179 40.800 0.061 0.000 1.061 53 D HN -0.020 nan 8.370 nan 0.000 0.515 54 R N 0.017 120.600 120.500 0.139 0.000 2.643 54 R HA 0.632 4.972 4.340 0.001 0.000 0.272 54 R C -0.971 175.493 176.300 0.274 0.000 0.995 54 R CA -0.855 55.341 56.100 0.160 0.000 1.032 54 R CB 1.088 31.435 30.300 0.078 0.000 1.126 54 R HN 0.230 nan 8.270 nan 0.000 0.505 55 Y N -2.017 118.339 120.300 0.094 0.000 2.588 55 Y HA 0.539 5.090 4.550 0.000 0.000 0.343 55 Y C -1.405 174.545 175.900 0.083 0.000 1.065 55 Y CA -1.123 57.061 58.100 0.139 0.000 1.038 55 Y CB 1.800 40.309 38.460 0.083 0.000 1.297 55 Y HN 0.369 nan 8.280 nan 0.000 0.467 56 Q N 1.828 121.705 119.800 0.129 0.000 2.305 56 Q HA 0.534 4.875 4.340 0.001 0.000 0.271 56 Q C -1.710 174.375 176.000 0.141 0.000 1.046 56 Q CA -0.880 54.877 55.803 -0.077 0.000 0.798 56 Q CB 2.705 31.279 28.738 -0.272 0.000 1.286 56 Q HN 0.904 nan 8.270 nan 0.000 0.435 57 c N 1.681 120.335 118.600 0.090 0.000 2.347 57 c HA 0.261 4.831 4.570 0.001 0.000 0.353 57 c C 0.162 174.307 174.090 0.092 0.000 1.273 57 c CA -0.548 55.865 56.329 0.140 0.000 1.861 57 c CB 0.135 42.734 42.510 0.149 0.000 2.420 57 c HN 0.665 nan 8.230 nan 0.000 0.542 58 D N 1.808 122.275 120.400 0.111 0.000 2.411 58 D HA 0.218 4.858 4.640 0.001 0.000 0.225 58 D C 0.326 176.681 176.300 0.092 0.000 1.156 58 D CA -0.289 53.767 54.000 0.094 0.000 0.874 58 D CB 0.494 41.358 40.800 0.107 0.000 1.034 58 D HN 0.642 nan 8.370 nan 0.000 0.502 59 c N 2.897 121.549 118.600 0.085 0.000 2.625 59 c HA 0.133 4.703 4.570 0.001 0.000 0.285 59 c C 0.795 174.944 174.090 0.099 0.000 1.279 59 c CA -0.323 56.069 56.329 0.106 0.000 1.698 59 c CB -1.607 40.974 42.510 0.118 0.000 1.821 59 c HN 0.518 nan 8.230 nan 0.000 0.600 60 T N 1.765 116.365 114.554 0.077 0.000 2.822 60 T HA 0.052 4.402 4.350 0.001 0.000 0.288 60 T C 0.957 175.695 174.700 0.063 0.000 0.991 60 T CA 0.491 62.628 62.100 0.062 0.000 1.176 60 T CB -0.007 68.891 68.868 0.051 0.000 0.951 60 T HN 0.600 nan 8.240 nan 0.000 0.526 61 R N 0.166 120.701 120.500 0.057 0.000 3.946 61 R HA -0.229 4.112 4.340 0.001 0.000 0.329 61 R C 1.670 178.012 176.300 0.069 0.000 1.209 61 R CA 1.198 57.328 56.100 0.050 0.000 0.909 61 R CB -2.383 27.935 30.300 0.029 0.000 1.355 61 R HN 0.931 nan 8.270 nan 0.000 0.539 62 T N -4.559 110.062 114.554 0.111 0.000 3.043 62 T HA 0.204 4.555 4.350 0.001 0.000 0.263 62 T C 1.492 176.321 174.700 0.215 0.000 1.094 62 T CA 1.016 63.222 62.100 0.176 0.000 1.127 62 T CB 0.711 69.716 68.868 0.229 0.000 0.905 62 T HN 0.675 nan 8.240 nan 0.000 0.490 63 G N -0.013 108.855 108.800 0.113 0.000 2.176 63 G HA2 -0.160 3.801 3.960 0.001 0.000 0.232 63 G HA3 -0.160 3.801 3.960 0.001 0.000 0.232 63 G C -0.201 174.544 174.900 -0.259 0.000 0.986 63 G CA -0.001 45.063 45.100 -0.060 0.000 0.643 63 G HN 0.618 nan 8.290 nan 0.000 0.522 64 Y N 0.402 120.714 120.300 0.021 0.000 2.605 64 Y HA 0.731 5.282 4.550 0.001 0.000 0.343 64 Y C 0.614 176.536 175.900 0.037 0.000 1.036 64 Y CA -0.188 57.927 58.100 0.025 0.000 1.065 64 Y CB 2.247 40.730 38.460 0.037 0.000 1.288 64 Y HN 0.545 nan 8.280 nan 0.000 0.481 65 S N -0.365 115.458 115.700 0.205 0.000 2.806 65 S HA 0.953 5.423 4.470 0.001 0.000 0.306 65 S C -0.150 174.517 174.600 0.110 0.000 1.167 65 S CA -0.355 57.916 58.200 0.120 0.000 0.847 65 S CB 1.622 64.860 63.200 0.063 0.000 1.216 65 S HN 1.808 nan 8.310 nan 0.000 0.532 66 G N 0.671 109.507 108.800 0.060 0.000 2.610 66 G HA2 0.003 3.964 3.960 0.001 0.000 0.304 66 G HA3 0.003 3.964 3.960 0.001 0.000 0.304 66 G C -2.481 172.432 174.900 0.022 0.000 1.309 66 G CA -0.176 44.947 45.100 0.038 0.000 0.906 66 G HN 0.711 nan 8.290 nan 0.000 0.521 67 P HA 0.126 nan 4.420 nan 0.000 0.222 67 P C 1.066 178.385 177.300 0.032 0.000 1.153 67 P CA 1.274 64.356 63.100 -0.030 0.000 0.798 67 P CB 0.123 31.793 31.700 -0.050 0.000 0.796 68 N N -2.495 116.249 118.700 0.073 0.000 2.160 68 N HA 0.072 4.813 4.740 0.001 0.000 0.226 68 N C -0.576 174.980 175.510 0.077 0.000 1.256 68 N CA 0.014 53.128 53.050 0.106 0.000 0.890 68 N CB 0.002 38.549 38.487 0.101 0.000 1.116 68 N HN -0.065 nan 8.380 nan 0.000 0.517 69 c N 0.910 119.567 118.600 0.095 0.000 4.209 69 c HA -0.120 4.450 4.570 0.001 0.000 0.305 69 c C 1.784 175.919 174.090 0.075 0.000 1.339 69 c CA 0.958 57.364 56.329 0.128 0.000 2.062 69 c CB -3.095 39.481 42.510 0.110 0.000 1.307 69 c HN 0.591 nan 8.230 nan 0.000 0.706 70 T N -2.776 111.866 114.554 0.146 0.000 2.999 70 T HA 0.302 4.652 4.350 0.001 0.000 0.247 70 T C 0.517 175.419 174.700 0.337 0.000 1.012 70 T CA 0.617 62.813 62.100 0.161 0.000 1.048 70 T CB 0.128 69.061 68.868 0.109 0.000 1.020 70 T HN 0.969 nan 8.240 nan 0.000 0.478 71 I N 2.038 122.788 120.570 0.300 0.000 2.396 71 I HA 0.522 4.693 4.170 0.001 0.000 0.289 71 I C -2.860 173.395 176.117 0.231 0.000 1.056 71 I CA -2.598 58.843 61.300 0.235 0.000 1.365 71 I CB 0.732 38.799 38.000 0.111 0.000 1.407 71 I HN -0.123 nan 8.210 nan 0.000 0.509 72 P HA 0.321 nan 4.420 nan 0.000 0.284 72 P C -0.692 176.508 177.300 -0.166 0.000 1.258 72 P CA -0.373 62.549 63.100 -0.297 0.000 0.824 72 P CB 1.003 32.572 31.700 -0.219 0.000 1.038 73 E N 0.386 120.455 120.200 -0.218 0.000 2.391 73 E HA 0.058 4.408 4.350 0.001 0.000 0.255 73 E C 1.196 177.746 176.600 -0.085 0.000 1.187 73 E CA -0.516 55.820 56.400 -0.107 0.000 0.941 73 E CB 0.345 30.015 29.700 -0.049 0.000 1.010 73 E HN 0.320 nan 8.360 nan 0.000 0.458 74 I N 0.287 120.766 120.570 -0.153 0.000 2.194 74 I HA -0.257 3.913 4.170 0.001 0.000 0.246 74 I C 1.270 177.246 176.117 -0.235 0.000 1.093 74 I CA 1.715 62.844 61.300 -0.284 0.000 1.355 74 I CB -0.062 37.632 38.000 -0.510 0.000 1.046 74 I HN 0.582 nan 8.210 nan 0.000 0.413 75 W N -0.055 121.253 121.300 0.014 0.000 2.518 75 W HA -0.050 4.610 4.660 -0.000 0.000 0.273 75 W C 2.527 179.041 176.519 -0.009 0.000 1.247 75 W CA 1.031 58.384 57.345 0.014 0.000 1.288 75 W CB -0.787 28.668 29.460 -0.008 0.000 1.107 75 W HN -0.014 nan 8.180 nan 0.000 0.586 76 T N -0.704 113.922 114.554 0.119 0.000 2.770 76 T HA -0.254 4.097 4.350 0.001 0.000 0.263 76 T C 1.199 175.894 174.700 -0.008 0.000 1.039 76 T CA 1.328 63.404 62.100 -0.040 0.000 1.142 76 T CB -0.778 67.896 68.868 -0.324 0.000 0.868 76 T HN 0.298 nan 8.240 nan 0.000 0.435 77 W N 1.684 122.896 121.300 -0.146 0.000 2.363 77 W HA -0.033 4.627 4.660 -0.001 0.000 0.296 77 W C 1.897 178.381 176.519 -0.059 0.000 1.212 77 W CA 0.507 57.790 57.345 -0.104 0.000 1.260 77 W CB -0.349 29.042 29.460 -0.116 0.000 1.131 77 W HN 0.057 nan 8.180 nan 0.000 0.530 78 L N 1.567 122.898 121.223 0.180 0.000 2.046 78 L HA -0.180 4.161 4.340 0.001 0.000 0.208 78 L C 2.696 179.534 176.870 -0.053 0.000 1.077 78 L CA 2.732 57.615 54.840 0.071 0.000 0.747 78 L CB -1.679 40.495 42.059 0.190 0.000 0.896 78 L HN 0.219 nan 8.230 nan 0.000 0.432 79 R N -0.182 120.319 120.500 0.002 0.000 2.066 79 R HA -0.156 4.184 4.340 0.001 0.000 0.232 79 R C 2.158 178.409 176.300 -0.083 0.000 1.131 79 R CA 1.995 58.087 56.100 -0.012 0.000 0.955 79 R CB -2.200 28.116 30.300 0.027 0.000 0.851 79 R HN 0.715 nan 8.270 nan 0.000 0.432 80 T N -1.468 113.006 114.554 -0.134 0.000 2.821 80 T HA -0.204 4.147 4.350 0.001 0.000 0.267 80 T C 2.203 176.767 174.700 -0.227 0.000 1.046 80 T CA 2.109 64.120 62.100 -0.148 0.000 1.139 80 T CB -0.783 68.006 68.868 -0.132 0.000 0.871 80 T HN 0.602 nan 8.240 nan 0.000 0.454 81 T N 0.274 114.590 114.554 -0.397 0.000 2.904 81 T HA 0.153 4.503 4.350 0.001 0.000 0.267 81 T C 1.723 176.265 174.700 -0.263 0.000 1.059 81 T CA 0.457 62.298 62.100 -0.432 0.000 1.137 81 T CB -0.513 67.884 68.868 -0.785 0.000 0.879 81 T HN 0.247 nan 8.240 nan 0.000 0.467 82 L N 0.749 121.852 121.223 -0.201 0.000 2.567 82 L HA 0.374 4.715 4.340 0.001 0.000 0.225 82 L C 1.821 178.648 176.870 -0.072 0.000 1.119 82 L CA 0.172 54.944 54.840 -0.114 0.000 0.871 82 L CB -0.668 41.350 42.059 -0.068 0.000 1.036 82 L HN 0.323 nan 8.230 nan 0.000 0.459 83 R N 1.208 121.665 120.500 -0.071 0.000 2.316 83 R HA 0.491 4.831 4.340 0.001 0.000 0.314 83 R C -2.350 173.932 176.300 -0.029 0.000 1.069 83 R CA -1.279 54.805 56.100 -0.026 0.000 0.959 83 R CB -1.633 28.659 30.300 -0.013 0.000 0.987 83 R HN 0.031 nan 8.270 nan 0.000 0.446 84 P HA 0.184 nan 4.420 nan 0.000 0.274 84 P C -0.174 177.170 177.300 0.073 0.000 1.231 84 P CA -0.421 62.684 63.100 0.008 0.000 0.790 84 P CB 1.107 32.909 31.700 0.170 0.000 0.951 85 S N 1.953 117.689 115.700 0.060 0.000 2.568 85 S HA 0.103 4.574 4.470 0.001 0.000 0.282 85 S C -1.642 173.061 174.600 0.172 0.000 1.338 85 S CA -0.630 57.626 58.200 0.093 0.000 1.045 85 S CB -0.150 63.090 63.200 0.066 0.000 0.873 85 S HN 0.259 nan 8.310 nan 0.000 0.516 86 P HA -0.152 nan 4.420 nan 0.000 0.216 86 P C 1.730 179.151 177.300 0.202 0.000 1.153 86 P CA 1.817 65.008 63.100 0.151 0.000 0.858 86 P CB -0.234 31.532 31.700 0.110 0.000 0.789 87 S N -2.181 113.642 115.700 0.206 0.000 2.453 87 S HA -0.114 4.357 4.470 0.001 0.000 0.231 87 S C 1.827 176.606 174.600 0.298 0.000 1.005 87 S CA 0.391 58.742 58.200 0.252 0.000 0.949 87 S CB -1.572 61.755 63.200 0.213 0.000 0.774 87 S HN 0.103 nan 8.310 nan 0.000 0.510 88 F N 1.977 122.005 119.950 0.129 0.000 2.234 88 F HA 0.270 4.797 4.527 0.000 0.000 0.296 88 F C 1.807 177.727 175.800 0.200 0.000 1.089 88 F CA 0.887 58.962 58.000 0.124 0.000 1.343 88 F CB -0.075 38.955 39.000 0.049 0.000 1.040 88 F HN 0.114 nan 8.300 nan 0.000 0.498 89 I N -0.515 120.166 120.570 0.186 0.000 2.353 89 I HA -0.238 3.933 4.170 0.001 0.000 0.248 89 I C 2.255 178.387 176.117 0.025 0.000 1.119 89 I CA 1.283 62.626 61.300 0.072 0.000 1.417 89 I CB -0.703 37.376 38.000 0.133 0.000 1.078 89 I HN 0.175 nan 8.210 nan 0.000 0.421 90 H N 0.922 120.002 119.070 0.017 0.000 2.387 90 H HA -0.259 4.298 4.556 0.001 0.000 0.299 90 H C 1.981 177.292 175.328 -0.027 0.000 1.090 90 H CA 1.775 57.813 56.048 -0.016 0.000 1.332 90 H CB -0.200 29.566 29.762 0.006 0.000 1.386 90 H HN 0.315 nan 8.280 nan 0.000 0.516 91 F N -0.044 119.813 119.950 -0.156 0.000 2.102 91 F HA -0.134 4.393 4.527 0.000 0.000 0.298 91 F C 1.903 177.602 175.800 -0.168 0.000 1.105 91 F CA 1.054 58.939 58.000 -0.192 0.000 1.239 91 F CB -0.477 38.374 39.000 -0.248 0.000 0.991 91 F HN 0.196 nan 8.300 nan 0.000 0.474 92 L N 0.161 121.271 121.223 -0.188 0.000 2.083 92 L HA -0.190 4.150 4.340 0.001 0.000 0.209 92 L C 2.208 179.139 176.870 0.102 0.000 1.083 92 L CA 1.565 56.347 54.840 -0.097 0.000 0.752 92 L CB -0.813 41.211 42.059 -0.058 0.000 0.899 92 L HN 0.202 nan 8.230 nan 0.000 0.433 93 L N -1.421 119.689 121.223 -0.189 0.000 2.395 93 L HA -0.081 4.259 4.340 0.001 0.000 0.218 93 L C 1.756 178.200 176.870 -0.710 0.000 1.130 93 L CA 1.278 55.773 54.840 -0.575 0.000 0.826 93 L CB -0.539 40.965 42.059 -0.926 0.000 0.941 93 L HN 0.414 nan 8.230 nan 0.000 0.451 94 T N -5.131 109.051 114.554 -0.620 0.000 3.085 94 T HA 0.196 4.546 4.350 0.001 0.000 0.264 94 T C 0.466 174.631 174.700 -0.891 0.000 1.019 94 T CA -0.288 61.249 62.100 -0.938 0.000 0.910 94 T CB -0.061 68.316 68.868 -0.819 0.000 1.059 94 T HN 0.121 nan 8.240 nan 0.000 0.542 95 H N 0.217 119.072 119.070 -0.359 0.000 2.821 95 H HA 0.519 5.075 4.556 0.001 0.000 0.373 95 H C 0.369 175.838 175.328 0.235 0.000 1.165 95 H CA -0.353 55.627 56.048 -0.113 0.000 1.154 95 H CB 1.909 31.264 29.762 -0.679 0.000 1.765 95 H HN 0.396 nan 8.280 nan 0.000 0.549 96 G N 2.780 111.724 108.800 0.239 0.000 2.799 96 G HA2 -0.215 3.745 3.960 0.001 0.000 0.271 96 G HA3 -0.215 3.745 3.960 0.001 0.000 0.271 96 G C 1.007 175.969 174.900 0.104 0.000 1.067 96 G CA -0.222 44.935 45.100 0.096 0.000 1.251 96 G HN 0.576 nan 8.290 nan 0.000 0.560 97 R N -0.132 120.222 120.500 -0.243 0.000 2.083 97 R HA -0.122 4.218 4.340 0.001 0.000 0.237 97 R C 2.243 178.543 176.300 -0.000 0.000 1.137 97 R CA 2.208 58.108 56.100 -0.333 0.000 0.951 97 R CB -0.201 29.777 30.300 -0.537 0.000 0.851 97 R HN 0.707 nan 8.270 nan 0.000 0.434 98 W N 0.566 121.845 121.300 -0.036 0.000 2.363 98 W HA -0.129 4.531 4.660 0.000 0.000 0.296 98 W C 2.116 178.626 176.519 -0.016 0.000 1.212 98 W CA 0.267 57.598 57.345 -0.023 0.000 1.260 98 W CB -1.037 28.400 29.460 -0.038 0.000 1.131 98 W HN 0.096 nan 8.180 nan 0.000 0.530 99 L N -1.332 119.976 121.223 0.141 0.000 2.109 99 L HA -0.072 4.268 4.340 0.001 0.000 0.207 99 L C 1.950 178.770 176.870 -0.083 0.000 1.086 99 L CA 1.760 56.564 54.840 -0.061 0.000 0.760 99 L CB -0.785 41.108 42.059 -0.277 0.000 0.910 99 L HN -0.110 nan 8.230 nan 0.000 0.437 100 W N -0.542 120.829 121.300 0.117 0.000 2.584 100 W HA -0.055 4.606 4.660 0.002 0.000 0.264 100 W C 2.059 178.633 176.519 0.092 0.000 1.264 100 W CA 0.172 57.578 57.345 0.101 0.000 1.306 100 W CB -0.075 29.445 29.460 0.100 0.000 1.110 100 W HN 0.123 nan 8.180 nan 0.000 0.606 101 D N -0.157 120.412 120.400 0.282 0.000 2.117 101 D HA -0.194 4.447 4.640 0.001 0.000 0.198 101 D C 1.743 178.158 176.300 0.190 0.000 0.982 101 D CA 1.164 55.287 54.000 0.204 0.000 0.828 101 D CB -0.714 40.198 40.800 0.188 0.000 0.967 101 D HN 0.147 nan 8.370 nan 0.000 0.464 102 F N 1.175 121.162 119.950 0.061 0.000 2.113 102 F HA -0.187 4.341 4.527 0.001 0.000 0.297 102 F C 2.193 178.010 175.800 0.029 0.000 1.103 102 F CA 0.968 58.982 58.000 0.022 0.000 1.248 102 F CB -0.139 38.851 39.000 -0.017 0.000 0.999 102 F HN -0.236 nan 8.300 nan 0.000 0.475 103 V N 1.127 121.100 119.914 0.098 0.000 2.295 103 V HA -0.340 3.781 4.120 0.001 0.000 0.246 103 V C 2.070 178.179 176.094 0.025 0.000 1.049 103 V CA 2.222 64.543 62.300 0.035 0.000 1.024 103 V CB -0.827 31.077 31.823 0.136 0.000 0.648 103 V HN 0.397 nan 8.190 nan 0.000 0.447 104 N N 0.407 119.175 118.700 0.113 0.000 2.309 104 N HA -0.061 4.679 4.740 0.001 0.000 0.182 104 N C 1.617 177.127 175.510 -0.000 0.000 1.018 104 N CA 1.435 54.536 53.050 0.086 0.000 0.876 104 N CB -0.245 38.318 38.487 0.126 0.000 0.972 104 N HN 0.521 nan 8.380 nan 0.000 0.434 105 A N 0.140 122.921 122.820 -0.064 0.000 2.218 105 A HA 0.073 4.394 4.320 0.001 0.000 0.209 105 A C 1.203 178.685 177.584 -0.171 0.000 1.168 105 A CA 0.500 52.476 52.037 -0.101 0.000 0.804 105 A CB -0.174 18.769 19.000 -0.096 0.000 0.834 105 A HN 0.376 nan 8.150 nan 0.000 0.482 106 T N -7.032 107.383 114.554 -0.232 0.000 2.841 106 T HA 0.517 4.867 4.350 0.001 0.000 0.276 106 T C 1.026 175.654 174.700 -0.121 0.000 1.003 106 T CA 0.063 62.020 62.100 -0.238 0.000 0.995 106 T CB 0.510 69.121 68.868 -0.428 0.000 1.260 106 T HN 0.671 nan 8.240 nan 0.000 0.581 107 F N -0.521 119.374 119.950 -0.091 0.000 2.451 107 F HA 0.222 4.750 4.527 0.001 0.000 0.299 107 F C 2.155 177.942 175.800 -0.022 0.000 1.101 107 F CA 0.570 58.544 58.000 -0.044 0.000 1.436 107 F CB -1.325 37.657 39.000 -0.030 0.000 1.074 107 F HN 0.640 nan 8.300 nan 0.000 0.553 108 I N -0.656 119.896 120.570 -0.029 0.000 2.567 108 I HA -0.208 3.962 4.170 0.001 0.000 0.257 108 I C 2.574 178.723 176.117 0.053 0.000 1.184 108 I CA 1.391 62.700 61.300 0.014 0.000 1.451 108 I CB -0.664 37.346 38.000 0.018 0.000 1.089 108 I HN 0.392 nan 8.210 nan 0.000 0.441 109 R N 1.310 121.836 120.500 0.043 0.000 2.081 109 R HA -0.192 4.149 4.340 0.001 0.000 0.235 109 R C 1.644 177.972 176.300 0.047 0.000 1.131 109 R CA 2.016 58.159 56.100 0.072 0.000 0.960 109 R CB -0.139 30.191 30.300 0.050 0.000 0.856 109 R HN 0.355 nan 8.270 nan 0.000 0.436 110 D N -0.667 119.743 120.400 0.017 0.000 2.183 110 D HA -0.070 4.570 4.640 0.001 0.000 0.203 110 D C 1.720 178.022 176.300 0.004 0.000 0.969 110 D CA 1.418 55.417 54.000 -0.002 0.000 0.842 110 D CB -0.208 40.580 40.800 -0.020 0.000 0.957 110 D HN 0.283 nan 8.370 nan 0.000 0.484 111 T N 1.418 115.982 114.554 0.017 0.000 2.746 111 T HA -0.060 4.291 4.350 0.001 0.000 0.267 111 T C 2.288 177.010 174.700 0.037 0.000 1.039 111 T CA 0.619 62.733 62.100 0.023 0.000 1.142 111 T CB -0.179 68.705 68.868 0.028 0.000 0.866 111 T HN 0.101 nan 8.240 nan 0.000 0.444 112 L N -0.199 121.060 121.223 0.060 0.000 2.131 112 L HA 0.058 4.398 4.340 0.001 0.000 0.206 112 L C 2.579 179.481 176.870 0.054 0.000 1.087 112 L CA 0.697 55.583 54.840 0.077 0.000 0.767 112 L CB -0.409 41.733 42.059 0.139 0.000 0.917 112 L HN 0.215 nan 8.230 nan 0.000 0.441 113 M N 0.012 119.639 119.600 0.044 0.000 2.117 113 M HA -0.209 4.271 4.480 0.001 0.000 0.262 113 M C 2.340 178.647 176.300 0.011 0.000 1.065 113 M CA 1.707 57.026 55.300 0.032 0.000 1.114 113 M CB -0.424 32.190 32.600 0.024 0.000 1.361 113 M HN 0.005 nan 8.290 nan 0.000 0.408 114 R N -0.687 119.809 120.500 -0.006 0.000 2.096 114 R HA -0.159 4.181 4.340 0.001 0.000 0.235 114 R C 1.992 178.292 176.300 0.001 0.000 1.127 114 R CA 1.549 57.635 56.100 -0.024 0.000 0.968 114 R CB -0.429 29.854 30.300 -0.028 0.000 0.861 114 R HN 0.397 nan 8.270 nan 0.000 0.440 115 L N 0.096 121.332 121.223 0.021 0.000 2.027 115 L HA -0.125 4.215 4.340 0.001 0.000 0.206 115 L C 2.212 179.109 176.870 0.045 0.000 1.074 115 L CA 1.299 56.160 54.840 0.035 0.000 0.745 115 L CB -0.294 41.791 42.059 0.043 0.000 0.898 115 L HN 0.006 nan 8.230 nan 0.000 0.433 116 V N -0.877 119.066 119.914 0.048 0.000 2.332 116 V HA -0.304 3.816 4.120 0.001 0.000 0.248 116 V C 2.440 178.577 176.094 0.072 0.000 1.055 116 V CA 1.409 63.749 62.300 0.066 0.000 1.038 116 V CB -0.577 31.293 31.823 0.077 0.000 0.651 116 V HN 0.284 nan 8.190 nan 0.000 0.450 117 L N 0.699 121.951 121.223 0.047 0.000 1.989 117 L HA -0.171 4.170 4.340 0.001 0.000 0.211 117 L C 2.848 179.759 176.870 0.069 0.000 1.071 117 L CA 2.871 57.730 54.840 0.032 0.000 0.749 117 L CB -1.569 40.457 42.059 -0.055 0.000 0.890 117 L HN 0.649 nan 8.230 nan 0.000 0.431 118 T N -4.091 110.496 114.554 0.054 0.000 2.732 118 T HA -0.100 4.250 4.350 0.001 0.000 0.261 118 T C 1.910 176.662 174.700 0.087 0.000 1.040 118 T CA 1.316 63.469 62.100 0.090 0.000 1.145 118 T CB -0.976 67.928 68.868 0.060 0.000 0.866 118 T HN 0.063 nan 8.240 nan 0.000 0.427 119 V N 1.572 121.526 119.914 0.067 0.000 2.358 119 V HA -0.078 4.043 4.120 0.001 0.000 0.246 119 V C 3.019 179.153 176.094 0.066 0.000 1.047 119 V CA 1.696 64.032 62.300 0.061 0.000 1.035 119 V CB -0.782 31.076 31.823 0.058 0.000 0.658 119 V HN 0.274 nan 8.190 nan 0.000 0.452 120 R N 1.304 121.851 120.500 0.079 0.000 2.070 120 R HA -0.125 4.216 4.340 0.001 0.000 0.232 120 R C 2.687 179.023 176.300 0.061 0.000 1.138 120 R CA 1.885 58.033 56.100 0.080 0.000 0.936 120 R CB -0.851 29.505 30.300 0.093 0.000 0.839 120 R HN 0.683 nan 8.270 nan 0.000 0.429 121 S N 0.202 115.953 115.700 0.085 0.000 2.474 121 S HA -0.028 4.442 4.470 0.001 0.000 0.235 121 S C 1.473 176.071 174.600 -0.004 0.000 0.997 121 S CA 0.866 59.105 58.200 0.066 0.000 0.949 121 S CB -0.266 63.057 63.200 0.205 0.000 0.766 121 S HN 0.241 nan 8.310 nan 0.000 0.517 122 N N 1.428 120.136 118.700 0.013 0.000 2.459 122 N HA 0.101 4.841 4.740 0.001 0.000 0.181 122 N C 1.234 176.711 175.510 -0.054 0.000 1.046 122 N CA 0.413 53.447 53.050 -0.027 0.000 0.904 122 N CB -0.327 38.161 38.487 0.002 0.000 0.964 122 N HN 0.333 nan 8.380 nan 0.000 0.444 123 L N 0.697 121.890 121.223 -0.050 0.000 2.465 123 L HA 0.053 4.393 4.340 0.001 0.000 0.224 123 L C 0.293 177.060 176.870 -0.171 0.000 1.145 123 L CA 0.666 55.444 54.840 -0.103 0.000 0.834 123 L CB -0.379 41.645 42.059 -0.057 0.000 0.944 123 L HN -0.009 nan 8.230 nan 0.000 0.451 124 I N 1.075 121.562 120.570 -0.139 0.000 2.336 124 I HA 0.279 4.450 4.170 0.001 0.000 0.292 124 I C -1.989 174.052 176.117 -0.127 0.000 0.991 124 I CA -2.824 58.389 61.300 -0.144 0.000 1.227 124 I CB 0.827 38.749 38.000 -0.129 0.000 1.366 124 I HN -0.156 nan 8.210 nan 0.000 0.466 125 P HA 0.141 nan 4.420 nan 0.000 0.271 125 P C -0.444 176.785 177.300 -0.119 0.000 1.233 125 P CA 0.059 63.084 63.100 -0.124 0.000 0.764 125 P CB 0.647 32.258 31.700 -0.149 0.000 0.825 126 S N 3.538 119.162 115.700 -0.128 0.000 2.776 126 S HA 0.489 4.959 4.470 0.001 0.000 0.284 126 S C -2.603 171.937 174.600 -0.100 0.000 1.160 126 S CA -1.388 56.736 58.200 -0.128 0.000 1.051 126 S CB 0.451 63.531 63.200 -0.199 0.000 1.037 126 S HN 0.213 nan 8.310 nan 0.000 0.485 127 P HA 0.325 nan 4.420 nan 0.000 0.270 127 P C -2.708 174.567 177.300 -0.043 0.000 1.223 127 P CA -1.108 61.997 63.100 0.009 0.000 0.785 127 P CB -0.509 31.286 31.700 0.157 0.000 0.923 128 P HA -0.023 nan 4.420 nan 0.000 0.270 128 P C 0.603 177.806 177.300 -0.160 0.000 1.223 128 P CA 0.126 63.160 63.100 -0.111 0.000 0.785 128 P CB 0.446 32.075 31.700 -0.119 0.000 0.923 129 T N -0.971 113.403 114.554 -0.300 0.000 3.348 129 T HA 0.145 4.495 4.350 0.001 0.000 0.233 129 T C 0.630 175.074 174.700 -0.427 0.000 0.960 129 T CA 0.403 62.178 62.100 -0.541 0.000 1.343 129 T CB -0.702 67.466 68.868 -1.167 0.000 1.068 129 T HN 0.375 nan 8.240 nan 0.000 0.410 130 Y N 2.811 123.080 120.300 -0.051 0.000 2.568 130 Y HA 0.699 5.249 4.550 0.000 0.000 0.327 130 Y C 0.443 176.273 175.900 -0.118 0.000 1.163 130 Y CA -1.280 56.765 58.100 -0.092 0.000 1.219 130 Y CB 1.011 39.437 38.460 -0.056 0.000 1.308 130 Y HN 0.559 nan 8.280 nan 0.000 0.503 131 N N -0.793 117.901 118.700 -0.010 0.000 3.418 131 N HA 0.174 4.914 4.740 0.001 0.000 0.316 131 N C -0.252 175.192 175.510 -0.110 0.000 1.601 131 N CA -0.699 52.285 53.050 -0.110 0.000 0.805 131 N CB 0.224 38.494 38.487 -0.361 0.000 1.873 131 N HN 0.586 nan 8.380 nan 0.000 0.615 132 I N -0.245 120.271 120.570 -0.090 0.000 2.361 132 I HA 0.068 4.239 4.170 0.001 0.000 0.251 132 I C 1.862 177.930 176.117 -0.082 0.000 1.133 132 I CA 1.723 62.992 61.300 -0.051 0.000 1.413 132 I CB -0.706 37.266 38.000 -0.047 0.000 1.073 132 I HN 0.702 nan 8.210 nan 0.000 0.424 133 A N -0.979 121.703 122.820 -0.231 0.000 1.903 133 A HA 0.013 4.334 4.320 0.001 0.000 0.213 133 A C 0.633 177.937 177.584 -0.467 0.000 1.185 133 A CA 0.882 52.692 52.037 -0.379 0.000 0.628 133 A CB -0.385 18.230 19.000 -0.642 0.000 0.830 133 A HN 0.486 nan 8.150 nan 0.000 0.446 134 H N -0.063 118.833 119.070 -0.290 0.000 2.547 134 H HA 0.338 4.894 4.556 0.000 0.000 0.342 134 H C -1.283 173.821 175.328 -0.372 0.000 1.048 134 H CA -1.034 54.667 56.048 -0.578 0.000 1.204 134 H CB 1.233 30.352 29.762 -1.072 0.000 1.493 134 H HN 0.222 nan 8.280 nan 0.000 0.511 135 D N 3.352 123.690 120.400 -0.102 0.000 2.706 135 D HA 0.082 4.722 4.640 0.001 0.000 0.236 135 D C -0.221 176.017 176.300 -0.103 0.000 1.231 135 D CA 0.242 54.153 54.000 -0.149 0.000 0.828 135 D CB 0.019 40.777 40.800 -0.071 0.000 1.015 135 D HN 0.507 nan 8.370 nan 0.000 0.484 136 Y N -2.880 117.480 120.300 0.100 0.000 2.624 136 Y HA 0.437 4.987 4.550 0.000 0.000 0.334 136 Y C -0.751 175.342 175.900 0.322 0.000 1.155 136 Y CA -1.428 56.800 58.100 0.213 0.000 1.046 136 Y CB 0.490 38.989 38.460 0.065 0.000 1.316 136 Y HN -0.307 nan 8.280 nan 0.000 0.457 137 I N 3.445 124.236 120.570 0.370 0.000 2.556 137 I HA 0.386 4.557 4.170 0.001 0.000 0.284 137 I C 0.232 176.427 176.117 0.131 0.000 1.114 137 I CA 0.442 61.830 61.300 0.147 0.000 1.418 137 I CB 0.844 38.897 38.000 0.088 0.000 1.394 137 I HN 0.789 nan 8.210 nan 0.000 0.552 138 S N 5.899 121.613 115.700 0.023 0.000 2.651 138 S HA 0.260 4.730 4.470 0.001 0.000 0.279 138 S C 0.220 174.888 174.600 0.113 0.000 1.148 138 S CA -0.909 57.313 58.200 0.037 0.000 0.837 138 S CB 1.478 64.553 63.200 -0.208 0.000 1.138 138 S HN 0.824 nan 8.310 nan 0.000 0.478 139 W N 1.089 122.400 121.300 0.018 0.000 2.418 139 W HA -0.034 4.627 4.660 0.000 0.000 0.292 139 W C 1.567 178.172 176.519 0.143 0.000 1.213 139 W CA 2.061 59.458 57.345 0.086 0.000 1.283 139 W CB -0.214 29.284 29.460 0.062 0.000 1.119 139 W HN 1.022 nan 8.180 nan 0.000 0.542 140 E N 0.553 120.874 120.200 0.201 0.000 2.085 140 E HA -0.229 4.122 4.350 0.001 0.000 0.194 140 E C 2.275 178.876 176.600 0.002 0.000 0.994 140 E CA 2.203 58.694 56.400 0.152 0.000 0.801 140 E CB -0.741 29.124 29.700 0.275 0.000 0.743 140 E HN 0.016 nan 8.360 nan 0.000 0.453 141 S N -1.471 114.216 115.700 -0.022 0.000 2.399 141 S HA -0.126 4.345 4.470 0.001 0.000 0.231 141 S C 1.668 176.177 174.600 -0.152 0.000 1.022 141 S CA 1.126 59.237 58.200 -0.148 0.000 0.983 141 S CB -0.496 62.649 63.200 -0.093 0.000 0.803 141 S HN 0.467 nan 8.310 nan 0.000 0.480 142 F N 2.061 121.811 119.950 -0.335 0.000 2.219 142 F HA 0.060 4.587 4.527 0.000 0.000 0.294 142 F C 2.479 177.989 175.800 -0.483 0.000 1.086 142 F CA 1.654 59.383 58.000 -0.451 0.000 1.330 142 F CB -0.512 38.112 39.000 -0.626 0.000 1.047 142 F HN 0.347 nan 8.300 nan 0.000 0.495 143 S N -0.653 114.718 115.700 -0.548 0.000 2.421 143 S HA -0.025 4.446 4.470 0.001 0.000 0.224 143 S C 1.008 175.481 174.600 -0.212 0.000 1.035 143 S CA 0.184 58.108 58.200 -0.460 0.000 0.953 143 S CB -0.760 62.268 63.200 -0.287 0.000 0.810 143 S HN 0.322 nan 8.310 nan 0.000 0.497 144 N N 2.892 121.551 118.700 -0.067 0.000 2.421 144 N HA 0.119 4.859 4.740 0.001 0.000 0.260 144 N C 0.803 176.372 175.510 0.099 0.000 1.173 144 N CA 0.110 53.220 53.050 0.100 0.000 0.960 144 N CB 1.282 39.965 38.487 0.326 0.000 1.273 144 N HN 0.362 nan 8.380 nan 0.000 0.497 145 V N 1.003 120.928 119.914 0.018 0.000 3.573 145 V HA 0.073 4.194 4.120 0.001 0.000 0.270 145 V C 1.496 177.695 176.094 0.174 0.000 1.221 145 V CA 0.471 62.794 62.300 0.038 0.000 1.163 145 V CB -0.371 31.458 31.823 0.010 0.000 0.847 145 V HN 0.373 nan 8.190 nan 0.000 0.468 146 S N -0.765 114.991 115.700 0.094 0.000 2.515 146 S HA 0.174 4.644 4.470 0.001 0.000 0.231 146 S C 0.392 174.968 174.600 -0.039 0.000 0.987 146 S CA 0.344 58.554 58.200 0.017 0.000 0.936 146 S CB -0.406 62.791 63.200 -0.005 0.000 0.766 146 S HN 0.711 nan 8.310 nan 0.000 0.528 147 Y N 0.660 120.946 120.300 -0.024 0.000 2.304 147 Y HA 0.317 4.868 4.550 0.001 0.000 0.328 147 Y C 0.172 176.016 175.900 -0.094 0.000 1.123 147 Y CA -1.030 56.960 58.100 -0.184 0.000 1.218 147 Y CB 0.269 38.612 38.460 -0.195 0.000 1.207 147 Y HN 0.058 nan 8.280 nan 0.000 0.495 148 Y N 1.164 121.531 120.300 0.113 0.000 2.397 148 Y HA 0.099 4.649 4.550 0.001 0.000 0.335 148 Y C 1.016 176.959 175.900 0.072 0.000 1.213 148 Y CA 0.030 58.211 58.100 0.134 0.000 1.391 148 Y CB 0.669 39.172 38.460 0.073 0.000 1.293 148 Y HN 0.560 nan 8.280 nan 0.000 0.557 149 T N 3.097 117.792 114.554 0.236 0.000 2.852 149 T HA 0.722 5.073 4.350 0.001 0.000 0.281 149 T C -0.627 174.155 174.700 0.137 0.000 0.993 149 T CA -0.728 61.437 62.100 0.110 0.000 0.933 149 T CB 0.488 69.374 68.868 0.031 0.000 1.187 149 T HN 0.780 nan 8.240 nan 0.000 0.559 150 R N 0.664 121.243 120.500 0.132 0.000 2.739 150 R HA 0.499 4.839 4.340 0.001 0.000 0.271 150 R C 0.062 176.497 176.300 0.226 0.000 1.010 150 R CA -0.887 55.324 56.100 0.185 0.000 0.897 150 R CB 0.550 30.952 30.300 0.170 0.000 1.236 150 R HN 0.357 nan 8.270 nan 0.000 0.466 151 I N 0.755 121.496 120.570 0.285 0.000 2.556 151 I HA 0.155 4.326 4.170 0.001 0.000 0.251 151 I C 0.823 177.056 176.117 0.193 0.000 1.105 151 I CA 0.524 61.956 61.300 0.221 0.000 1.436 151 I CB -0.603 37.556 38.000 0.265 0.000 1.139 151 I HN 0.496 nan 8.210 nan 0.000 0.438 152 L N 3.293 124.602 121.223 0.142 0.000 2.295 152 L HA 0.350 4.690 4.340 0.001 0.000 0.285 152 L C -2.140 174.739 176.870 0.014 0.000 1.035 152 L CA -1.746 53.075 54.840 -0.032 0.000 0.806 152 L CB 1.413 43.212 42.059 -0.433 0.000 1.214 152 L HN -0.074 nan 8.230 nan 0.000 0.426 153 P HA 0.012 nan 4.420 nan 0.000 0.270 153 P C -0.309 176.953 177.300 -0.064 0.000 1.227 153 P CA -0.335 62.643 63.100 -0.204 0.000 0.788 153 P CB 0.579 32.028 31.700 -0.418 0.000 0.926 154 S N 0.105 115.787 115.700 -0.030 0.000 2.596 154 S HA 0.125 4.595 4.470 0.001 0.000 0.260 154 S C 0.287 174.923 174.600 0.060 0.000 1.336 154 S CA -0.737 57.480 58.200 0.029 0.000 0.993 154 S CB -0.174 63.044 63.200 0.030 0.000 0.923 154 S HN 0.251 nan 8.310 nan 0.000 0.567 155 V N 3.412 123.382 119.914 0.094 0.000 2.446 155 V HA 0.245 4.365 4.120 0.001 0.000 0.276 155 V C -2.027 174.095 176.094 0.047 0.000 1.030 155 V CA -1.415 60.951 62.300 0.109 0.000 1.033 155 V CB -0.189 31.712 31.823 0.130 0.000 0.993 155 V HN 0.756 nan 8.190 nan 0.000 0.477 156 P HA 0.108 nan 4.420 nan 0.000 0.265 156 P C 0.789 178.090 177.300 0.002 0.000 1.187 156 P CA 0.099 63.198 63.100 -0.001 0.000 0.766 156 P CB 0.501 32.182 31.700 -0.032 0.000 0.820 157 R N 2.063 122.572 120.500 0.014 0.000 2.127 157 R HA -0.127 4.214 4.340 0.001 0.000 0.238 157 R C 0.845 177.148 176.300 0.005 0.000 1.134 157 R CA 1.573 57.683 56.100 0.017 0.000 0.975 157 R CB -0.371 29.945 30.300 0.026 0.000 0.865 157 R HN 0.636 nan 8.270 nan 0.000 0.447 158 D N -0.681 119.717 120.400 -0.004 0.000 2.561 158 D HA 0.021 4.661 4.640 0.001 0.000 0.232 158 D C -0.268 176.013 176.300 -0.031 0.000 1.198 158 D CA -0.276 53.718 54.000 -0.011 0.000 0.826 158 D CB -0.527 40.270 40.800 -0.005 0.000 0.992 158 D HN -0.010 nan 8.370 nan 0.000 0.490 159 c N 0.975 119.548 118.600 -0.044 0.000 2.466 159 c HA 0.270 4.840 4.570 0.001 0.000 0.379 159 c C -0.558 173.494 174.090 -0.063 0.000 1.251 159 c CA -1.013 55.267 56.329 -0.082 0.000 2.263 159 c CB 1.470 43.917 42.510 -0.104 0.000 2.511 159 c HN 0.229 nan 8.230 nan 0.000 0.573 160 P HA -0.044 nan 4.420 nan 0.000 0.215 160 P C 0.493 177.771 177.300 -0.037 0.000 1.157 160 P CA 1.370 64.435 63.100 -0.058 0.000 0.868 160 P CB -0.047 31.604 31.700 -0.080 0.000 0.788 161 T N -5.915 108.613 114.554 -0.044 0.000 2.885 161 T HA 0.408 4.759 4.350 0.001 0.000 0.285 161 T C -2.293 172.415 174.700 0.014 0.000 1.019 161 T CA -2.417 59.681 62.100 -0.005 0.000 1.010 161 T CB 1.828 70.701 68.868 0.009 0.000 1.022 161 T HN -0.249 nan 8.240 nan 0.000 0.466 162 P HA -0.025 nan 4.420 nan 0.000 0.218 162 P C 1.112 178.467 177.300 0.092 0.000 1.146 162 P CA 1.065 64.203 63.100 0.062 0.000 0.813 162 P CB 0.038 31.782 31.700 0.074 0.000 0.778 163 M N -2.404 117.262 119.600 0.110 0.000 2.419 163 M HA 0.313 4.793 4.480 0.001 0.000 0.252 163 M C 1.200 177.607 176.300 0.180 0.000 1.143 163 M CA 0.454 55.847 55.300 0.156 0.000 0.985 163 M CB -0.081 32.624 32.600 0.174 0.000 1.489 163 M HN 0.074 nan 8.290 nan 0.000 0.484 164 G N 0.984 109.826 108.800 0.071 0.000 2.130 164 G HA2 -0.229 3.731 3.960 0.001 0.000 0.222 164 G HA3 -0.229 3.731 3.960 0.001 0.000 0.222 164 G C 0.502 175.288 174.900 -0.191 0.000 1.694 164 G CA 0.345 45.398 45.100 -0.077 0.000 1.432 164 G HN 0.293 nan 8.290 nan 0.000 0.476 165 T N -1.316 113.115 114.554 -0.204 0.000 3.016 165 T HA 0.483 4.833 4.350 0.001 0.000 0.271 165 T C 0.455 175.095 174.700 -0.100 0.000 0.968 165 T CA 0.464 62.407 62.100 -0.262 0.000 0.891 165 T CB 0.750 69.272 68.868 -0.577 0.000 1.149 165 T HN 0.449 nan 8.240 nan 0.000 0.524 166 K N 1.514 121.907 120.400 -0.012 0.000 2.156 166 K HA 0.706 5.026 4.320 0.001 0.000 0.250 166 K C 0.808 177.456 176.600 0.080 0.000 0.955 166 K CA 0.146 56.460 56.287 0.045 0.000 0.855 166 K CB 1.554 34.099 32.500 0.075 0.000 1.101 166 K HN 0.400 nan 8.250 nan 0.000 0.434 167 G N 1.829 110.687 108.800 0.096 0.000 2.508 167 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 167 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 167 G C -0.979 173.975 174.900 0.089 0.000 1.287 167 G CA -0.613 44.564 45.100 0.128 0.000 0.916 167 G HN 0.468 nan 8.290 nan 0.000 0.574 168 K N 0.565 121.018 120.400 0.088 0.000 2.139 168 K HA 0.674 4.995 4.320 0.001 0.000 0.243 168 K C 1.594 178.219 176.600 0.041 0.000 0.983 168 K CA -0.039 56.278 56.287 0.051 0.000 0.890 168 K CB 1.286 33.806 32.500 0.033 0.000 1.090 168 K HN 0.781 nan 8.250 nan 0.000 0.445 169 K N 0.744 121.159 120.400 0.024 0.000 2.097 169 K HA -0.067 4.253 4.320 0.001 0.000 0.205 169 K C 1.210 177.822 176.600 0.019 0.000 1.050 169 K CA 1.924 58.222 56.287 0.019 0.000 0.938 169 K CB -0.855 31.651 32.500 0.011 0.000 0.718 169 K HN 0.673 nan 8.250 nan 0.000 0.442 170 Q N 0.358 120.165 119.800 0.011 0.000 2.347 170 Q HA 0.690 5.030 4.340 0.001 0.000 0.262 170 Q C -0.371 175.629 176.000 -0.000 0.000 0.980 170 Q CA -0.847 54.959 55.803 0.005 0.000 0.867 170 Q CB 0.993 29.726 28.738 -0.009 0.000 1.242 170 Q HN 0.444 nan 8.270 nan 0.000 0.453 171 L N 4.454 125.685 121.223 0.013 0.000 2.416 171 L HA 0.402 4.743 4.340 0.001 0.000 0.272 171 L C -1.745 175.096 176.870 -0.050 0.000 1.161 171 L CA -1.367 53.475 54.840 0.005 0.000 0.845 171 L CB 0.900 42.996 42.059 0.062 0.000 1.119 171 L HN 0.613 nan 8.230 nan 0.000 0.464 172 P HA -0.066 nan 4.420 nan 0.000 0.264 172 P C -0.862 176.413 177.300 -0.042 0.000 1.179 172 P CA -0.099 62.909 63.100 -0.154 0.000 0.763 172 P CB 0.237 31.715 31.700 -0.371 0.000 0.806 173 D N 1.169 121.574 120.400 0.007 0.000 2.493 173 D HA 0.128 4.768 4.640 0.001 0.000 0.240 173 D C 1.333 177.698 176.300 0.108 0.000 1.142 173 D CA 0.367 54.401 54.000 0.057 0.000 0.872 173 D CB 0.669 41.504 40.800 0.059 0.000 1.173 173 D HN 0.332 nan 8.370 nan 0.000 0.467 174 A N 3.465 126.337 122.820 0.087 0.000 1.898 174 A HA -0.066 4.255 4.320 0.001 0.000 0.216 174 A C 2.121 179.768 177.584 0.106 0.000 1.181 174 A CA 1.968 54.061 52.037 0.093 0.000 0.620 174 A CB -1.152 17.889 19.000 0.069 0.000 0.819 174 A HN 0.708 nan 8.150 nan 0.000 0.442 175 E N -1.336 118.929 120.200 0.109 0.000 2.107 175 E HA -0.125 4.225 4.350 0.001 0.000 0.191 175 E C 1.834 178.509 176.600 0.126 0.000 0.982 175 E CA 1.253 57.716 56.400 0.104 0.000 0.809 175 E CB -0.849 28.908 29.700 0.094 0.000 0.756 175 E HN 0.686 nan 8.360 nan 0.000 0.459 176 F N -0.088 119.869 119.950 0.011 0.000 2.293 176 F HA 0.093 4.620 4.527 0.001 0.000 0.300 176 F C 2.075 177.892 175.800 0.029 0.000 1.086 176 F CA 1.078 59.077 58.000 -0.001 0.000 1.375 176 F CB 0.029 39.021 39.000 -0.013 0.000 1.045 176 F HN 0.217 nan 8.300 nan 0.000 0.516 177 L N -0.738 120.568 121.223 0.139 0.000 2.109 177 L HA -0.123 4.217 4.340 0.001 0.000 0.207 177 L C 2.390 179.335 176.870 0.125 0.000 1.086 177 L CA 1.598 56.538 54.840 0.168 0.000 0.760 177 L CB -0.637 41.529 42.059 0.180 0.000 0.910 177 L HN -0.014 nan 8.230 nan 0.000 0.437 178 S N -0.832 114.907 115.700 0.065 0.000 2.414 178 S HA -0.080 4.390 4.470 0.001 0.000 0.227 178 S C 2.298 176.879 174.600 -0.033 0.000 1.022 178 S CA 1.062 59.291 58.200 0.048 0.000 0.958 178 S CB -0.335 62.901 63.200 0.061 0.000 0.797 178 S HN 0.585 nan 8.310 nan 0.000 0.493 179 R N 1.677 122.110 120.500 -0.112 0.000 2.153 179 R HA 0.206 4.547 4.340 0.001 0.000 0.218 179 R C 2.039 178.146 176.300 -0.321 0.000 1.072 179 R CA 0.879 56.870 56.100 -0.181 0.000 0.990 179 R CB -0.813 29.383 30.300 -0.175 0.000 0.889 179 R HN 0.206 nan 8.270 nan 0.000 0.452 180 R N -1.839 118.356 120.500 -0.509 0.000 2.189 180 R HA 0.233 4.573 4.340 0.001 0.000 0.203 180 R C 0.822 176.601 176.300 -0.868 0.000 1.012 180 R CA 1.005 56.615 56.100 -0.818 0.000 1.015 180 R CB 0.238 29.782 30.300 -1.259 0.000 0.938 180 R HN 0.549 nan 8.270 nan 0.000 0.472 181 F N -1.503 118.348 119.950 -0.166 0.000 2.834 181 F HA 0.229 4.756 4.527 0.001 0.000 0.332 181 F C 1.629 177.371 175.800 -0.097 0.000 1.056 181 F CA -0.032 57.895 58.000 -0.121 0.000 1.178 181 F CB 0.558 39.493 39.000 -0.108 0.000 1.037 181 F HN -0.198 nan 8.300 nan 0.000 0.580 182 L N -0.529 120.730 121.223 0.059 0.000 2.749 182 L HA 0.302 4.642 4.340 0.001 0.000 0.242 182 L C 0.276 177.154 176.870 0.014 0.000 1.103 182 L CA 0.081 54.943 54.840 0.036 0.000 0.906 182 L CB 0.762 42.856 42.059 0.058 0.000 1.228 182 L HN -0.011 nan 8.230 nan 0.000 0.517 183 L N 2.133 123.345 121.223 -0.018 0.000 2.462 183 L HA 0.119 4.459 4.340 0.001 0.000 0.272 183 L C 0.774 177.637 176.870 -0.011 0.000 1.166 183 L CA 0.091 54.923 54.840 -0.015 0.000 0.880 183 L CB 0.591 42.620 42.059 -0.050 0.000 1.142 183 L HN 0.176 nan 8.230 nan 0.000 0.473 184 R N 4.441 124.956 120.500 0.026 0.000 2.347 184 R HA 0.133 4.473 4.340 0.001 0.000 0.304 184 R C 0.455 176.772 176.300 0.029 0.000 1.072 184 R CA -0.055 56.068 56.100 0.038 0.000 0.980 184 R CB 0.762 31.117 30.300 0.091 0.000 0.986 184 R HN 0.768 nan 8.270 nan 0.000 0.448 185 R N 2.966 123.469 120.500 0.006 0.000 1.981 185 R HA 0.127 4.467 4.340 0.001 0.000 0.207 185 R C 0.101 176.420 176.300 0.032 0.000 1.375 185 R CA 1.384 57.483 56.100 -0.001 0.000 1.068 185 R CB -0.197 30.087 30.300 -0.027 0.000 0.890 185 R HN 0.509 nan 8.270 nan 0.000 0.481 186 K N 1.284 121.700 120.400 0.026 0.000 2.143 186 K HA 0.187 4.507 4.320 0.001 0.000 0.272 186 K C -0.737 175.915 176.600 0.086 0.000 1.001 186 K CA -0.516 55.805 56.287 0.058 0.000 0.915 186 K CB 0.012 32.528 32.500 0.026 0.000 1.047 186 K HN 0.276 nan 8.250 nan 0.000 0.458 187 F N 2.453 122.397 119.950 -0.010 0.000 2.541 187 F HA 0.368 4.896 4.527 0.001 0.000 0.378 187 F C -0.053 175.730 175.800 -0.027 0.000 1.068 187 F CA -0.410 57.580 58.000 -0.016 0.000 1.199 187 F CB 0.131 39.121 39.000 -0.017 0.000 1.091 187 F HN 0.443 nan 8.300 nan 0.000 0.555 188 I N 9.500 129.643 120.570 -0.712 0.000 2.330 188 I HA 0.269 4.440 4.170 0.001 0.000 0.286 188 I C -2.053 173.463 176.117 -1.001 0.000 1.025 188 I CA -2.139 58.773 61.300 -0.647 0.000 1.197 188 I CB 0.869 38.669 38.000 -0.334 0.000 1.358 188 I HN 0.451 nan 8.210 nan 0.000 0.467 189 P HA 0.074 nan 4.420 nan 0.000 0.274 189 P C -0.829 176.272 177.300 -0.331 0.000 1.246 189 P CA -0.347 62.392 63.100 -0.602 0.000 0.795 189 P CB 0.840 32.417 31.700 -0.205 0.000 1.006 190 D N 1.283 121.547 120.400 -0.226 0.000 2.383 190 D HA 0.073 4.713 4.640 0.001 0.000 0.252 190 D C -1.215 174.976 176.300 -0.183 0.000 1.166 190 D CA -1.943 51.922 54.000 -0.225 0.000 0.879 190 D CB 0.343 40.997 40.800 -0.244 0.000 1.164 190 D HN 0.152 nan 8.370 nan 0.000 0.462 191 P HA -0.127 nan 4.420 nan 0.000 0.226 191 P C 0.566 177.775 177.300 -0.151 0.000 1.153 191 P CA 0.922 63.934 63.100 -0.146 0.000 0.777 191 P CB 0.274 31.892 31.700 -0.136 0.000 0.794 192 Q N -0.871 118.810 119.800 -0.198 0.000 2.403 192 Q HA 0.203 4.543 4.340 0.001 0.000 0.203 192 Q C 1.066 176.968 176.000 -0.163 0.000 0.932 192 Q CA 0.459 56.136 55.803 -0.210 0.000 0.945 192 Q CB -0.221 28.338 28.738 -0.298 0.000 1.045 192 Q HN 0.241 nan 8.270 nan 0.000 0.511 193 G N 1.678 110.405 108.800 -0.121 0.000 2.176 193 G HA2 -0.247 3.713 3.960 0.001 0.000 0.252 193 G HA3 -0.247 3.713 3.960 0.001 0.000 0.252 193 G C 0.070 174.967 174.900 -0.005 0.000 1.024 193 G CA 0.304 45.381 45.100 -0.039 0.000 0.755 193 G HN 0.270 nan 8.290 nan 0.000 0.507 194 T N 1.245 115.734 114.554 -0.110 0.000 2.916 194 T HA 0.425 4.775 4.350 0.001 0.000 0.303 194 T C 0.897 175.605 174.700 0.014 0.000 1.025 194 T CA 0.584 62.598 62.100 -0.143 0.000 1.142 194 T CB 0.828 69.427 68.868 -0.448 0.000 0.947 194 T HN 0.814 nan 8.240 nan 0.000 0.544 195 N N 2.518 121.305 118.700 0.145 0.000 2.604 195 N HA 0.317 5.057 4.740 0.001 0.000 0.297 195 N C 0.793 176.466 175.510 0.272 0.000 1.266 195 N CA -1.062 52.120 53.050 0.219 0.000 0.961 195 N CB 0.320 38.968 38.487 0.268 0.000 1.166 195 N HN 0.389 nan 8.380 nan 0.000 0.601 196 L N -1.277 120.104 121.223 0.265 0.000 2.313 196 L HA 0.050 4.390 4.340 0.001 0.000 0.214 196 L C 2.026 179.115 176.870 0.365 0.000 1.119 196 L CA 0.617 55.560 54.840 0.173 0.000 0.809 196 L CB -0.361 41.785 42.059 0.146 0.000 0.933 196 L HN 0.555 nan 8.230 nan 0.000 0.449 197 M N -0.044 119.885 119.600 0.549 0.000 2.159 197 M HA -0.255 4.225 4.480 0.001 0.000 0.263 197 M C 2.024 178.811 176.300 0.812 0.000 1.063 197 M CA 1.920 57.623 55.300 0.671 0.000 1.110 197 M CB -0.520 32.355 32.600 0.459 0.000 1.374 197 M HN 0.180 nan 8.290 nan 0.000 0.411 198 F N 0.121 120.441 119.950 0.616 0.000 2.113 198 F HA -0.059 4.468 4.527 0.000 0.000 0.297 198 F C 2.066 178.145 175.800 0.465 0.000 1.103 198 F CA 1.703 60.057 58.000 0.591 0.000 1.248 198 F CB -0.576 38.623 39.000 0.332 0.000 0.999 198 F HN 0.176 nan 8.300 nan 0.000 0.475 199 A N 0.005 123.155 122.820 0.549 0.000 1.902 199 A HA -0.168 4.153 4.320 0.001 0.000 0.217 199 A C 1.965 179.610 177.584 0.100 0.000 1.181 199 A CA 1.719 53.928 52.037 0.285 0.000 0.623 199 A CB -1.405 17.607 19.000 0.021 0.000 0.818 199 A HN 0.448 nan 8.150 nan 0.000 0.443 200 F N -1.787 118.315 119.950 0.252 0.000 2.259 200 F HA 0.038 4.565 4.527 0.001 0.000 0.298 200 F C 1.918 177.714 175.800 -0.006 0.000 1.088 200 F CA 0.535 58.623 58.000 0.147 0.000 1.358 200 F CB -0.794 38.319 39.000 0.189 0.000 1.040 200 F HN 0.337 nan 8.300 nan 0.000 0.505 201 F N 0.677 120.616 119.950 -0.019 0.000 2.102 201 F HA -0.151 4.377 4.527 0.001 0.000 0.298 201 F C 2.390 178.073 175.800 -0.196 0.000 1.105 201 F CA 1.366 59.100 58.000 -0.442 0.000 1.239 201 F CB -0.536 38.400 39.000 -0.108 0.000 0.991 201 F HN -0.071 nan 8.300 nan 0.000 0.474 202 A N -0.144 122.782 122.820 0.177 0.000 1.873 202 A HA -0.325 3.996 4.320 0.001 0.000 0.218 202 A C 2.220 179.796 177.584 -0.012 0.000 1.193 202 A CA 2.077 54.225 52.037 0.186 0.000 0.629 202 A CB -1.218 18.024 19.000 0.403 0.000 0.826 202 A HN 0.591 nan 8.150 nan 0.000 0.447 203 Q N -1.755 118.045 119.800 -0.000 0.000 2.119 203 Q HA -0.254 4.086 4.340 0.001 0.000 0.201 203 Q C 1.975 177.870 176.000 -0.176 0.000 0.972 203 Q CA 1.932 57.682 55.803 -0.088 0.000 0.847 203 Q CB -0.191 28.494 28.738 -0.088 0.000 0.903 203 Q HN 0.915 nan 8.270 nan 0.000 0.433 204 H N -0.701 118.194 119.070 -0.291 0.000 2.299 204 H HA -0.152 4.404 4.556 0.000 0.000 0.302 204 H C 1.640 176.830 175.328 -0.230 0.000 1.078 204 H CA 2.000 57.867 56.048 -0.302 0.000 1.323 204 H CB -0.419 29.075 29.762 -0.446 0.000 1.381 204 H HN 0.324 nan 8.280 nan 0.000 0.498 205 F N 1.301 120.922 119.950 -0.550 0.000 2.171 205 F HA -0.176 4.351 4.527 0.001 0.000 0.300 205 F C 2.444 177.692 175.800 -0.920 0.000 1.090 205 F CA 2.056 59.626 58.000 -0.717 0.000 1.293 205 F CB -0.837 37.723 39.000 -0.734 0.000 1.013 205 F HN 0.362 nan 8.300 nan 0.000 0.486 206 T N -3.184 110.729 114.554 -1.068 0.000 2.942 206 T HA -0.143 4.207 4.350 0.001 0.000 0.265 206 T C 1.430 175.240 174.700 -1.485 0.000 1.062 206 T CA 1.455 62.549 62.100 -1.676 0.000 1.139 206 T CB -0.873 67.399 68.868 -0.993 0.000 0.883 206 T HN 0.364 nan 8.240 nan 0.000 0.468 207 H N 1.927 120.474 119.070 -0.872 0.000 2.553 207 H HA 0.158 4.714 4.556 0.000 0.000 0.269 207 H C 2.277 177.226 175.328 -0.632 0.000 1.011 207 H CA 0.744 56.474 56.048 -0.529 0.000 1.150 207 H CB -0.237 29.451 29.762 -0.123 0.000 1.339 207 H HN 0.751 nan 8.280 nan 0.000 0.604 208 Q N -0.490 118.748 119.800 -0.936 0.000 2.376 208 Q HA -0.008 4.332 4.340 0.001 0.000 0.206 208 Q C 0.691 176.349 176.000 -0.571 0.000 0.921 208 Q CA 0.701 56.043 55.803 -0.767 0.000 0.911 208 Q CB 0.032 28.145 28.738 -1.040 0.000 1.032 208 Q HN 0.562 nan 8.270 nan 0.000 0.510 209 F N -2.985 116.566 119.950 -0.665 0.000 2.767 209 F HA 0.504 5.032 4.527 0.001 0.000 0.323 209 F C -0.313 175.141 175.800 -0.576 0.000 1.091 209 F CA -1.131 56.493 58.000 -0.628 0.000 1.192 209 F CB 0.603 39.198 39.000 -0.676 0.000 1.056 209 F HN -0.221 nan 8.300 nan 0.000 0.571 210 F N 3.416 123.074 119.950 -0.486 0.000 2.291 210 F HA 0.499 5.026 4.527 0.000 0.000 0.368 210 F C -0.124 175.476 175.800 -0.333 0.000 1.085 210 F CA -1.483 56.310 58.000 -0.345 0.000 1.165 210 F CB 0.952 39.574 39.000 -0.630 0.000 1.429 210 F HN -0.068 nan 8.300 nan 0.000 0.503 211 K N 1.892 122.311 120.400 0.032 0.000 2.827 211 K HA 0.229 4.549 4.320 0.001 0.000 0.186 211 K C -0.471 176.149 176.600 0.033 0.000 1.093 211 K CA -0.310 55.957 56.287 -0.033 0.000 0.993 211 K CB 1.219 33.654 32.500 -0.110 0.000 1.199 211 K HN 0.292 nan 8.250 nan 0.000 0.598 212 T N 1.312 115.939 114.554 0.122 0.000 2.817 212 T HA -0.024 4.326 4.350 0.001 0.000 0.295 212 T C 0.480 175.230 174.700 0.083 0.000 0.958 212 T CA 0.350 62.558 62.100 0.180 0.000 1.157 212 T CB 0.789 69.783 68.868 0.209 0.000 0.898 212 T HN 0.250 nan 8.240 nan 0.000 0.536 213 S N 2.973 118.712 115.700 0.065 0.000 2.429 213 S HA 0.236 4.707 4.470 0.001 0.000 0.292 213 S C 1.661 176.279 174.600 0.029 0.000 1.183 213 S CA -0.502 57.712 58.200 0.023 0.000 1.088 213 S CB -0.045 63.147 63.200 -0.015 0.000 1.018 213 S HN 0.861 nan 8.310 nan 0.000 0.511 214 G N 5.044 113.851 108.800 0.011 0.000 2.484 214 G HA2 -0.131 3.830 3.960 0.001 0.000 0.218 214 G HA3 -0.131 3.830 3.960 0.001 0.000 0.218 214 G C 1.526 176.414 174.900 -0.019 0.000 1.130 214 G CA 0.411 45.513 45.100 0.004 0.000 0.784 214 G HN 0.776 nan 8.290 nan 0.000 0.543 215 K N -0.081 120.294 120.400 -0.042 0.000 2.098 215 K HA 0.177 4.497 4.320 0.001 0.000 0.203 215 K C 2.292 178.813 176.600 -0.131 0.000 1.051 215 K CA 0.538 56.782 56.287 -0.071 0.000 0.957 215 K CB -0.378 32.080 32.500 -0.069 0.000 0.738 215 K HN 0.292 nan 8.250 nan 0.000 0.447 216 M N 0.815 120.295 119.600 -0.199 0.000 2.334 216 M HA 0.067 4.547 4.480 0.001 0.000 0.266 216 M C 0.740 176.843 176.300 -0.329 0.000 1.082 216 M CA 1.049 56.089 55.300 -0.434 0.000 1.141 216 M CB 0.071 32.237 32.600 -0.724 0.000 1.380 216 M HN 0.490 nan 8.290 nan 0.000 0.440 217 G N 0.083 108.858 108.800 -0.042 0.000 2.384 217 G HA2 -0.058 3.902 3.960 0.001 0.000 0.668 217 G HA3 -0.058 3.902 3.960 0.001 0.000 0.668 217 G C -3.200 171.877 174.900 0.295 0.000 1.280 217 G CA -1.396 43.779 45.100 0.126 0.000 0.992 217 G HN -0.015 nan 8.290 nan 0.000 0.512 218 P HA 0.415 nan 4.420 nan 0.000 0.268 218 P C 0.982 178.402 177.300 0.201 0.000 1.204 218 P CA 2.028 65.242 63.100 0.191 0.000 0.768 218 P CB 0.930 32.696 31.700 0.109 0.000 0.842 219 G N 0.910 109.825 108.800 0.191 0.000 2.175 219 G HA2 -0.223 3.737 3.960 0.001 0.000 0.244 219 G HA3 -0.223 3.737 3.960 0.001 0.000 0.244 219 G C -0.239 174.572 174.900 -0.147 0.000 0.982 219 G CA -0.515 44.639 45.100 0.089 0.000 0.641 219 G HN 0.400 nan 8.290 nan 0.000 0.527 220 F N 0.119 120.135 119.950 0.110 0.000 2.522 220 F HA 0.775 5.303 4.527 0.001 0.000 0.324 220 F C 0.453 176.077 175.800 -0.293 0.000 1.077 220 F CA -0.268 57.640 58.000 -0.153 0.000 0.944 220 F CB 2.611 41.500 39.000 -0.185 0.000 1.175 220 F HN 0.034 nan 8.300 nan 0.000 0.468 221 T N 1.569 115.947 114.554 -0.293 0.000 2.916 221 T HA 0.293 4.643 4.350 0.001 0.000 0.298 221 T C 0.315 174.860 174.700 -0.258 0.000 1.031 221 T CA -0.696 61.125 62.100 -0.465 0.000 0.993 221 T CB 1.268 69.477 68.868 -1.097 0.000 1.045 221 T HN 0.595 nan 8.240 nan 0.000 0.454 222 K N 2.218 122.504 120.400 -0.190 0.000 2.314 222 K HA 0.237 4.557 4.320 0.001 0.000 0.198 222 K C 1.047 177.540 176.600 -0.179 0.000 1.045 222 K CA 0.193 56.394 56.287 -0.144 0.000 0.988 222 K CB 0.230 32.674 32.500 -0.093 0.000 0.783 222 K HN 0.619 nan 8.250 nan 0.000 0.484 223 A N 2.379 125.051 122.820 -0.247 0.000 2.981 223 A HA 0.166 4.487 4.320 0.001 0.000 0.280 223 A C 1.109 178.462 177.584 -0.385 0.000 1.743 223 A CA -0.056 51.817 52.037 -0.273 0.000 1.430 223 A CB -0.906 17.931 19.000 -0.273 0.000 1.085 223 A HN 0.183 nan 8.150 nan 0.000 0.597 224 L N 1.310 122.392 121.223 -0.234 0.000 2.622 224 L HA -0.014 4.326 4.340 0.001 0.000 0.233 224 L C 2.357 179.209 176.870 -0.029 0.000 1.156 224 L CA 0.750 55.506 54.840 -0.139 0.000 0.866 224 L CB -0.254 41.777 42.059 -0.047 0.000 0.980 224 L HN 0.684 nan 8.230 nan 0.000 0.448 225 G N -1.826 106.926 108.800 -0.081 0.000 2.448 225 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 225 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 225 G C 0.673 175.606 174.900 0.055 0.000 1.135 225 G CA -0.015 45.083 45.100 -0.003 0.000 0.784 225 G HN 0.579 nan 8.290 nan 0.000 0.543 226 H N -0.182 118.857 119.070 -0.051 0.000 2.713 226 H HA -0.159 4.397 4.556 0.001 0.000 0.311 226 H C 1.140 176.404 175.328 -0.108 0.000 1.175 226 H CA 1.118 57.130 56.048 -0.060 0.000 1.143 226 H CB -1.417 28.308 29.762 -0.061 0.000 1.434 226 H HN 0.823 nan 8.280 nan 0.000 0.418 227 G N -1.693 107.069 108.800 -0.064 0.000 2.399 227 G HA2 0.222 4.182 3.960 0.001 0.000 0.256 227 G HA3 0.222 4.182 3.960 0.001 0.000 0.256 227 G C -0.815 174.043 174.900 -0.069 0.000 1.236 227 G CA -0.257 44.736 45.100 -0.177 0.000 0.914 227 G HN 0.174 nan 8.290 nan 0.000 0.482 228 V N 2.655 122.561 119.914 -0.014 0.000 2.223 228 V HA 0.271 4.391 4.120 0.001 0.000 0.249 228 V C 0.522 176.673 176.094 0.095 0.000 1.233 228 V CA 0.802 63.150 62.300 0.079 0.000 1.131 228 V CB 0.270 32.200 31.823 0.178 0.000 1.298 228 V HN 0.772 nan 8.190 nan 0.000 0.498 229 D N 3.098 123.537 120.400 0.065 0.000 2.423 229 D HA 0.030 4.670 4.640 0.001 0.000 0.208 229 D C 0.837 177.226 176.300 0.147 0.000 1.068 229 D CA -0.335 53.722 54.000 0.094 0.000 0.860 229 D CB 0.328 41.165 40.800 0.062 0.000 0.992 229 D HN 0.266 nan 8.370 nan 0.000 0.504 230 L N 0.537 121.842 121.223 0.136 0.000 3.730 230 L HA -0.119 4.221 4.340 0.001 0.000 0.410 230 L C 1.534 178.573 176.870 0.281 0.000 1.234 230 L CA 0.598 55.590 54.840 0.253 0.000 0.911 230 L CB -1.994 40.219 42.059 0.257 0.000 1.942 230 L HN 0.312 nan 8.230 nan 0.000 0.860 231 G N -0.861 108.037 108.800 0.164 0.000 2.679 231 G HA2 -0.141 3.820 3.960 0.001 0.000 0.212 231 G HA3 -0.141 3.820 3.960 0.001 0.000 0.212 231 G C 1.138 176.046 174.900 0.013 0.000 1.137 231 G CA 0.642 45.793 45.100 0.084 0.000 0.787 231 G HN 0.800 nan 8.290 nan 0.000 0.534 232 H N -0.755 118.158 119.070 -0.261 0.000 2.539 232 H HA 0.307 4.863 4.556 0.001 0.000 0.269 232 H C 1.664 176.819 175.328 -0.289 0.000 0.980 232 H CA -0.320 55.488 56.048 -0.400 0.000 1.152 232 H CB -0.147 29.329 29.762 -0.477 0.000 1.407 232 H HN 0.428 nan 8.280 nan 0.000 0.564 233 I N -1.040 119.281 120.570 -0.416 0.000 3.443 233 I HA -0.005 4.166 4.170 0.001 0.000 0.277 233 I C 1.295 177.135 176.117 -0.462 0.000 1.169 233 I CA 0.119 61.093 61.300 -0.543 0.000 1.419 233 I CB 0.155 37.650 38.000 -0.842 0.000 1.331 233 I HN -0.044 nan 8.210 nan 0.000 0.458 234 Y N 1.162 121.446 120.300 -0.026 0.000 2.479 234 Y HA 0.504 5.054 4.550 0.000 0.000 0.283 234 Y C 1.159 177.073 175.900 0.022 0.000 1.109 234 Y CA 0.293 58.416 58.100 0.039 0.000 1.239 234 Y CB 0.074 38.615 38.460 0.134 0.000 1.108 234 Y HN 0.107 nan 8.280 nan 0.000 0.548 235 G N 0.420 109.293 108.800 0.121 0.000 2.402 235 G HA2 -0.071 3.890 3.960 0.001 0.000 0.666 235 G HA3 -0.071 3.890 3.960 0.001 0.000 0.666 235 G C -0.675 174.244 174.900 0.031 0.000 1.402 235 G CA -0.304 44.820 45.100 0.039 0.000 0.920 235 G HN 0.228 nan 8.290 nan 0.000 0.651 236 D N -0.796 119.588 120.400 -0.025 0.000 2.277 236 D HA 0.089 4.729 4.640 0.001 0.000 0.208 236 D C 0.795 177.078 176.300 -0.028 0.000 0.962 236 D CA 1.176 55.152 54.000 -0.039 0.000 0.865 236 D CB 0.020 40.774 40.800 -0.078 0.000 0.939 236 D HN 0.801 nan 8.370 nan 0.000 0.510 237 N N -1.287 117.398 118.700 -0.024 0.000 2.312 237 N HA 0.234 4.975 4.740 0.001 0.000 0.296 237 N C 0.208 175.696 175.510 -0.038 0.000 1.193 237 N CA -1.005 52.024 53.050 -0.035 0.000 0.773 237 N CB 1.928 40.385 38.487 -0.049 0.000 1.435 237 N HN -0.043 nan 8.380 nan 0.000 0.484 238 L N -0.110 121.062 121.223 -0.084 0.000 2.027 238 L HA -0.081 4.259 4.340 0.001 0.000 0.206 238 L C 2.765 179.486 176.870 -0.247 0.000 1.074 238 L CA 2.378 57.113 54.840 -0.174 0.000 0.745 238 L CB -0.723 41.180 42.059 -0.260 0.000 0.898 238 L HN 0.895 nan 8.230 nan 0.000 0.433 239 E N 0.132 120.216 120.200 -0.194 0.000 2.160 239 E HA -0.326 4.024 4.350 0.001 0.000 0.195 239 E C 2.213 178.807 176.600 -0.010 0.000 0.991 239 E CA 1.605 57.929 56.400 -0.127 0.000 0.810 239 E CB -0.722 28.927 29.700 -0.085 0.000 0.742 239 E HN 0.602 nan 8.360 nan 0.000 0.466 240 R N -0.418 120.077 120.500 -0.009 0.000 2.066 240 R HA -0.158 4.182 4.340 0.001 0.000 0.232 240 R C 2.740 179.081 176.300 0.069 0.000 1.131 240 R CA 1.619 57.732 56.100 0.021 0.000 0.955 240 R CB -0.254 30.043 30.300 -0.005 0.000 0.851 240 R HN 0.565 nan 8.270 nan 0.000 0.432 241 Q N -0.212 119.641 119.800 0.089 0.000 2.077 241 Q HA -0.253 4.088 4.340 0.001 0.000 0.206 241 Q C 1.718 177.815 176.000 0.161 0.000 0.989 241 Q CA 1.994 57.884 55.803 0.145 0.000 0.853 241 Q CB -0.312 28.538 28.738 0.186 0.000 0.907 241 Q HN 0.598 nan 8.270 nan 0.000 0.418 242 Y N -0.234 120.064 120.300 -0.004 0.000 2.274 242 Y HA -0.288 4.262 4.550 0.000 0.000 0.290 242 Y C 2.920 178.906 175.900 0.143 0.000 1.145 242 Y CA 1.041 59.211 58.100 0.117 0.000 1.203 242 Y CB -0.131 38.479 38.460 0.250 0.000 0.984 242 Y HN 0.449 nan 8.280 nan 0.000 0.533 243 Q N -0.104 119.827 119.800 0.219 0.000 2.172 243 Q HA -0.095 4.245 4.340 0.001 0.000 0.200 243 Q C 1.862 177.901 176.000 0.065 0.000 0.964 243 Q CA 1.336 57.217 55.803 0.130 0.000 0.855 243 Q CB -0.576 28.212 28.738 0.083 0.000 0.918 243 Q HN 0.345 nan 8.270 nan 0.000 0.444 244 L N 0.279 121.523 121.223 0.035 0.000 2.240 244 L HA 0.133 4.473 4.340 0.001 0.000 0.211 244 L C 1.173 178.017 176.870 -0.043 0.000 1.106 244 L CA 0.813 55.660 54.840 0.011 0.000 0.793 244 L CB -0.926 41.150 42.059 0.030 0.000 0.927 244 L HN 0.388 nan 8.230 nan 0.000 0.446 245 R N -0.236 120.151 120.500 -0.187 0.000 2.490 245 R HA 0.096 4.436 4.340 0.001 0.000 0.280 245 R C 1.263 177.393 176.300 -0.284 0.000 1.077 245 R CA -0.271 55.579 56.100 -0.417 0.000 1.065 245 R CB 0.916 30.545 30.300 -1.119 0.000 1.003 245 R HN 0.081 nan 8.270 nan 0.000 0.470 246 L N 2.463 123.590 121.223 -0.160 0.000 2.217 246 L HA -0.028 4.312 4.340 0.001 0.000 0.211 246 L C 0.214 177.123 176.870 0.067 0.000 1.107 246 L CA 0.780 55.611 54.840 -0.016 0.000 0.783 246 L CB -0.014 42.073 42.059 0.047 0.000 0.919 246 L HN 0.766 nan 8.230 nan 0.000 0.442 247 F N -0.791 119.113 119.950 -0.078 0.000 3.057 247 F HA -0.308 4.220 4.527 0.001 0.000 0.287 247 F C 0.494 176.273 175.800 -0.035 0.000 0.834 247 F CA 0.880 58.816 58.000 -0.106 0.000 1.147 247 F CB -1.976 36.927 39.000 -0.162 0.000 1.245 247 F HN 0.151 nan 8.300 nan 0.000 0.509 248 K N -0.189 120.277 120.400 0.109 0.000 2.565 248 K HA 0.612 4.933 4.320 0.001 0.000 0.249 248 K C 0.349 177.018 176.600 0.115 0.000 0.958 248 K CA -0.162 56.190 56.287 0.108 0.000 0.806 248 K CB 1.124 33.681 32.500 0.095 0.000 1.194 248 K HN 0.148 nan 8.250 nan 0.000 0.434 249 D N 1.118 121.590 120.400 0.120 0.000 3.079 249 D HA -0.191 4.450 4.640 0.001 0.000 0.214 249 D C 1.018 177.411 176.300 0.156 0.000 1.145 249 D CA 2.836 56.916 54.000 0.133 0.000 0.958 249 D CB -1.422 39.450 40.800 0.120 0.000 1.117 249 D HN 2.111 nan 8.370 nan 0.000 0.416 250 G N -0.360 108.538 108.800 0.163 0.000 2.162 250 G HA2 -0.387 3.573 3.960 0.001 0.000 0.260 250 G HA3 -0.387 3.573 3.960 0.001 0.000 0.260 250 G C 0.325 175.440 174.900 0.357 0.000 0.976 250 G CA 0.909 46.154 45.100 0.241 0.000 0.655 250 G HN 0.501 nan 8.290 nan 0.000 0.533 251 K N -0.707 119.850 120.400 0.262 0.000 2.090 251 K HA 0.635 4.956 4.320 0.001 0.000 0.250 251 K C 0.188 176.970 176.600 0.302 0.000 1.004 251 K CA -0.911 55.586 56.287 0.351 0.000 0.919 251 K CB 0.797 33.464 32.500 0.279 0.000 1.045 251 K HN 0.021 nan 8.250 nan 0.000 0.471 252 L N 1.994 123.433 121.223 0.360 0.000 2.379 252 L HA 0.233 4.573 4.340 0.001 0.000 0.269 252 L C 0.226 177.245 176.870 0.247 0.000 1.084 252 L CA 0.010 54.970 54.840 0.201 0.000 0.802 252 L CB 0.806 42.955 42.059 0.151 0.000 1.175 252 L HN 0.421 nan 8.230 nan 0.000 0.448 253 K N 2.129 122.610 120.400 0.134 0.000 2.414 253 K HA 0.287 4.608 4.320 0.001 0.000 0.272 253 K C -1.250 175.469 176.600 0.199 0.000 0.993 253 K CA 0.377 56.717 56.287 0.090 0.000 0.964 253 K CB 0.399 32.906 32.500 0.012 0.000 0.925 253 K HN 0.559 nan 8.250 nan 0.000 0.487 254 Y N -1.875 118.456 120.300 0.052 0.000 2.609 254 Y HA 0.278 4.828 4.550 0.001 0.000 0.336 254 Y C -1.287 174.647 175.900 0.058 0.000 1.129 254 Y CA -1.416 56.720 58.100 0.059 0.000 1.040 254 Y CB 1.057 39.550 38.460 0.055 0.000 1.310 254 Y HN 0.562 nan 8.280 nan 0.000 0.460 255 Q N 2.620 122.546 119.800 0.210 0.000 2.348 255 Q HA 0.668 5.009 4.340 0.001 0.000 0.271 255 Q C -1.293 174.853 176.000 0.243 0.000 1.067 255 Q CA -1.244 54.643 55.803 0.140 0.000 0.839 255 Q CB 2.569 31.362 28.738 0.092 0.000 1.354 255 Q HN 0.655 nan 8.270 nan 0.000 0.447 256 M N 3.148 122.856 119.600 0.181 0.000 2.129 256 M HA 0.449 4.929 4.480 0.001 0.000 0.348 256 M C -1.241 175.159 176.300 0.167 0.000 1.116 256 M CA -0.285 55.128 55.300 0.187 0.000 1.022 256 M CB 0.587 33.273 32.600 0.143 0.000 1.599 256 M HN 0.682 nan 8.290 nan 0.000 0.449 257 L N 4.549 125.920 121.223 0.247 0.000 2.406 257 L HA 0.416 4.756 4.340 0.001 0.000 0.272 257 L C 0.162 177.156 176.870 0.206 0.000 0.980 257 L CA -0.535 54.415 54.840 0.183 0.000 0.831 257 L CB 1.645 43.762 42.059 0.097 0.000 1.253 257 L HN 0.721 nan 8.230 nan 0.000 0.406 258 N N 2.579 121.343 118.700 0.107 0.000 2.725 258 N HA -0.199 4.541 4.740 0.001 0.000 0.249 258 N C 0.910 176.467 175.510 0.079 0.000 1.103 258 N CA 1.284 54.384 53.050 0.083 0.000 0.707 258 N CB -0.858 37.679 38.487 0.083 0.000 1.043 258 N HN 1.148 nan 8.380 nan 0.000 0.553 259 G N -1.088 107.756 108.800 0.073 0.000 2.153 259 G HA2 -0.309 3.652 3.960 0.001 0.000 0.252 259 G HA3 -0.309 3.652 3.960 0.001 0.000 0.252 259 G C -0.310 174.602 174.900 0.021 0.000 0.994 259 G CA 0.763 45.890 45.100 0.044 0.000 0.698 259 G HN 0.496 nan 8.290 nan 0.000 0.521 260 E N -0.589 119.633 120.200 0.037 0.000 2.256 260 E HA 0.524 4.874 4.350 0.001 0.000 0.267 260 E C 0.034 176.508 176.600 -0.209 0.000 0.892 260 E CA -0.866 55.464 56.400 -0.118 0.000 0.775 260 E CB 2.460 32.063 29.700 -0.162 0.000 1.207 260 E HN 0.122 nan 8.360 nan 0.000 0.420 261 V N 3.121 122.829 119.914 -0.343 0.000 2.508 261 V HA 0.208 4.329 4.120 0.001 0.000 0.281 261 V C -0.603 175.214 176.094 -0.462 0.000 1.041 261 V CA 0.161 62.306 62.300 -0.259 0.000 1.016 261 V CB -0.518 31.138 31.823 -0.277 0.000 0.984 261 V HN 0.529 nan 8.190 nan 0.000 0.478 262 Y N 4.086 124.434 120.300 0.080 0.000 2.609 262 Y HA 0.473 5.023 4.550 0.001 0.000 0.342 262 Y C -2.382 173.581 175.900 0.104 0.000 1.058 262 Y CA -2.765 55.374 58.100 0.066 0.000 1.055 262 Y CB 2.311 40.798 38.460 0.044 0.000 1.292 262 Y HN 0.414 nan 8.280 nan 0.000 0.476 263 P HA 0.017 nan 4.420 nan 0.000 0.266 263 P C -2.536 174.858 177.300 0.156 0.000 1.195 263 P CA -0.731 62.482 63.100 0.188 0.000 0.768 263 P CB 0.008 31.805 31.700 0.162 0.000 0.838 264 P HA 0.026 nan 4.420 nan 0.000 0.274 264 P C -0.305 177.018 177.300 0.038 0.000 1.246 264 P CA -0.125 63.017 63.100 0.071 0.000 0.795 264 P CB 0.413 32.140 31.700 0.046 0.000 1.006 265 S N -0.277 115.428 115.700 0.008 0.000 2.593 265 S HA 0.090 4.561 4.470 0.001 0.000 0.269 265 S C 1.400 175.982 174.600 -0.030 0.000 1.334 265 S CA -0.637 57.548 58.200 -0.025 0.000 1.015 265 S CB 0.037 63.213 63.200 -0.040 0.000 0.912 265 S HN 0.229 nan 8.310 nan 0.000 0.541 266 V N 1.354 121.232 119.914 -0.060 0.000 2.759 266 V HA -0.096 4.024 4.120 0.001 0.000 0.256 266 V C 2.612 178.677 176.094 -0.048 0.000 1.080 266 V CA 2.002 64.268 62.300 -0.057 0.000 1.101 266 V CB -1.258 30.510 31.823 -0.093 0.000 0.698 266 V HN 1.028 nan 8.190 nan 0.000 0.477 267 E N 0.495 120.663 120.200 -0.053 0.000 2.106 267 E HA -0.206 4.144 4.350 0.001 0.000 0.192 267 E C 2.325 178.907 176.600 -0.029 0.000 0.984 267 E CA 1.483 57.858 56.400 -0.042 0.000 0.806 267 E CB 0.081 29.754 29.700 -0.045 0.000 0.750 267 E HN 0.756 nan 8.360 nan 0.000 0.458 268 E N 0.291 120.476 120.200 -0.026 0.000 2.086 268 E HA 0.202 4.552 4.350 0.001 0.000 0.190 268 E C 0.924 177.520 176.600 -0.008 0.000 0.975 268 E CA 0.912 57.301 56.400 -0.019 0.000 0.813 268 E CB -0.059 29.627 29.700 -0.023 0.000 0.768 268 E HN 0.294 nan 8.360 nan 0.000 0.457 269 A N 1.557 124.374 122.820 -0.004 0.000 2.511 269 A HA 0.586 4.906 4.320 0.001 0.000 0.340 269 A C -2.718 174.867 177.584 0.000 0.000 1.396 269 A CA -1.538 50.504 52.037 0.008 0.000 0.887 269 A CB 0.693 19.702 19.000 0.016 0.000 1.145 269 A HN 0.082 nan 8.150 nan 0.000 0.497 270 P HA 0.211 nan 4.420 nan 0.000 0.256 270 P C -0.296 176.999 177.300 -0.009 0.000 1.688 270 P CA 0.305 63.399 63.100 -0.010 0.000 1.162 270 P CB 0.029 31.724 31.700 -0.007 0.000 1.870 271 V N 0.880 120.785 119.914 -0.015 0.000 2.769 271 V HA 0.403 4.524 4.120 0.001 0.000 0.312 271 V C -0.125 175.944 176.094 -0.042 0.000 1.061 271 V CA -1.388 60.898 62.300 -0.024 0.000 0.931 271 V CB 2.358 34.170 31.823 -0.017 0.000 1.010 271 V HN 0.100 nan 8.190 nan 0.000 0.433 272 L N 5.224 126.408 121.223 -0.065 0.000 2.597 272 L HA 0.295 4.636 4.340 0.001 0.000 0.271 272 L C -0.499 176.280 176.870 -0.152 0.000 1.157 272 L CA 1.028 55.804 54.840 -0.107 0.000 0.928 272 L CB 0.418 42.399 42.059 -0.130 0.000 1.216 272 L HN 0.747 nan 8.230 nan 0.000 0.481 273 M N 5.195 124.740 119.600 -0.092 0.000 2.321 273 M HA 0.240 4.720 4.480 0.001 0.000 0.315 273 M C -0.533 175.798 176.300 0.052 0.000 1.052 273 M CA -0.562 54.734 55.300 -0.007 0.000 0.936 273 M CB 1.414 34.149 32.600 0.224 0.000 1.639 273 M HN 0.445 nan 8.290 nan 0.000 0.433 274 H N 2.737 121.894 119.070 0.145 0.000 3.109 274 H HA 0.288 4.845 4.556 0.001 0.000 0.266 274 H C -1.285 174.081 175.328 0.063 0.000 1.334 274 H CA 0.389 56.497 56.048 0.100 0.000 1.456 274 H CB -0.191 29.601 29.762 0.050 0.000 1.587 274 H HN 0.401 nan 8.280 nan 0.000 0.500 275 Y N 2.249 122.625 120.300 0.127 0.000 2.446 275 Y HA 0.278 4.828 4.550 0.001 0.000 0.338 275 Y C -1.790 174.124 175.900 0.022 0.000 1.055 275 Y CA -2.711 55.437 58.100 0.078 0.000 1.101 275 Y CB 1.164 39.650 38.460 0.043 0.000 1.221 275 Y HN 0.513 nan 8.280 nan 0.000 0.460 276 P HA 0.130 nan 4.420 nan 0.000 0.266 276 P C -0.389 176.917 177.300 0.010 0.000 1.195 276 P CA -0.117 62.947 63.100 -0.060 0.000 0.768 276 P CB 0.371 31.935 31.700 -0.227 0.000 0.838 277 R N 1.966 122.457 120.500 -0.015 0.000 2.538 277 R HA 0.403 4.743 4.340 0.001 0.000 0.282 277 R C 1.399 177.696 176.300 -0.006 0.000 1.009 277 R CA 0.411 56.511 56.100 -0.001 0.000 1.063 277 R CB -1.450 28.844 30.300 -0.010 0.000 0.945 277 R HN 0.991 nan 8.270 nan 0.000 0.414 278 G N 0.747 109.548 108.800 0.001 0.000 2.218 278 G HA2 -0.168 3.792 3.960 0.001 0.000 0.216 278 G HA3 -0.168 3.792 3.960 0.001 0.000 0.216 278 G C 0.206 175.104 174.900 -0.004 0.000 0.994 278 G CA 0.081 45.178 45.100 -0.004 0.000 0.637 278 G HN 0.793 nan 8.290 nan 0.000 0.505 279 I N 4.089 124.664 120.570 0.007 0.000 2.297 279 I HA 0.328 4.498 4.170 0.001 0.000 0.291 279 I C -1.603 174.479 176.117 -0.058 0.000 1.033 279 I CA -2.064 59.230 61.300 -0.008 0.000 1.253 279 I CB 1.312 39.344 38.000 0.052 0.000 1.396 279 I HN -0.035 nan 8.210 nan 0.000 0.476 280 P HA 0.246 nan 4.420 nan 0.000 0.276 280 P C -2.328 174.886 177.300 -0.144 0.000 1.244 280 P CA -1.770 61.278 63.100 -0.086 0.000 0.801 280 P CB 0.289 31.952 31.700 -0.062 0.000 1.006 281 P HA -0.167 nan 4.420 nan 0.000 0.224 281 P C 1.775 178.988 177.300 -0.144 0.000 1.142 281 P CA 1.905 64.910 63.100 -0.158 0.000 0.778 281 P CB -0.565 31.075 31.700 -0.100 0.000 0.764 282 Q N -0.687 119.045 119.800 -0.113 0.000 2.167 282 Q HA -0.100 4.240 4.340 0.001 0.000 0.202 282 Q C 2.146 178.085 176.000 -0.102 0.000 0.970 282 Q CA 2.093 57.843 55.803 -0.089 0.000 0.855 282 Q CB -1.426 27.273 28.738 -0.066 0.000 0.911 282 Q HN 0.266 nan 8.270 nan 0.000 0.438 283 S N -0.266 115.352 115.700 -0.137 0.000 2.497 283 S HA 0.090 4.560 4.470 0.001 0.000 0.218 283 S C 0.708 175.190 174.600 -0.197 0.000 1.023 283 S CA -0.240 57.881 58.200 -0.132 0.000 0.913 283 S CB 0.276 63.416 63.200 -0.101 0.000 0.800 283 S HN 0.782 nan 8.310 nan 0.000 0.505 284 Q N 0.836 120.414 119.800 -0.371 0.000 2.421 284 Q HA 0.302 4.642 4.340 0.001 0.000 0.255 284 Q C -0.526 175.348 176.000 -0.210 0.000 1.013 284 Q CA 0.586 56.020 55.803 -0.615 0.000 0.895 284 Q CB 0.380 28.564 28.738 -0.922 0.000 1.271 284 Q HN 0.324 nan 8.270 nan 0.000 0.460 285 M N 0.986 120.573 119.600 -0.021 0.000 2.436 285 M HA 0.490 4.970 4.480 0.001 0.000 0.331 285 M C -0.940 175.424 176.300 0.108 0.000 1.135 285 M CA -0.751 54.588 55.300 0.066 0.000 0.987 285 M CB 2.039 34.706 32.600 0.111 0.000 1.687 285 M HN 0.659 nan 8.290 nan 0.000 0.445 286 A N 3.408 126.271 122.820 0.072 0.000 2.253 286 A HA 0.702 5.022 4.320 0.001 0.000 0.316 286 A C -0.418 177.207 177.584 0.068 0.000 1.327 286 A CA -0.557 51.517 52.037 0.060 0.000 0.917 286 A CB 0.146 19.163 19.000 0.029 0.000 1.162 286 A HN 0.741 nan 8.150 nan 0.000 0.535 287 V N 0.112 120.063 119.914 0.062 0.000 3.156 287 V HA 0.881 5.002 4.120 0.001 0.000 0.311 287 V C 1.141 177.204 176.094 -0.052 0.000 1.208 287 V CA -0.033 62.288 62.300 0.035 0.000 1.063 287 V CB 1.000 32.899 31.823 0.127 0.000 1.098 287 V HN 0.866 nan 8.190 nan 0.000 0.452 288 G N -0.945 107.785 108.800 -0.116 0.000 2.422 288 G HA2 -0.050 3.910 3.960 0.001 0.000 0.218 288 G HA3 -0.050 3.910 3.960 0.001 0.000 0.218 288 G C 0.709 175.454 174.900 -0.258 0.000 1.146 288 G CA 0.659 45.663 45.100 -0.160 0.000 0.769 288 G HN 0.648 nan 8.290 nan 0.000 0.547 289 Q N -0.120 119.377 119.800 -0.507 0.000 2.271 289 Q HA 0.270 4.610 4.340 0.001 0.000 0.258 289 Q C 0.639 176.360 176.000 -0.465 0.000 0.936 289 Q CA -0.258 55.122 55.803 -0.706 0.000 0.909 289 Q CB 1.908 29.682 28.738 -1.606 0.000 1.253 289 Q HN 0.282 nan 8.270 nan 0.000 0.440 290 E N 1.237 121.292 120.200 -0.243 0.000 2.150 290 E HA -0.135 4.215 4.350 0.001 0.000 0.193 290 E C 1.479 178.102 176.600 0.039 0.000 0.985 290 E CA 1.256 57.583 56.400 -0.121 0.000 0.814 290 E CB 0.075 29.651 29.700 -0.205 0.000 0.752 290 E HN 0.514 nan 8.360 nan 0.000 0.466 291 V N -1.712 118.265 119.914 0.106 0.000 3.623 291 V HA 0.075 4.196 4.120 0.001 0.000 0.271 291 V C 1.161 177.412 176.094 0.262 0.000 1.248 291 V CA 0.386 62.814 62.300 0.213 0.000 1.156 291 V CB -0.567 31.396 31.823 0.234 0.000 0.870 291 V HN -0.001 nan 8.190 nan 0.000 0.453 292 F N 2.857 122.798 119.950 -0.014 0.000 2.407 292 F HA 0.285 4.813 4.527 0.000 0.000 0.299 292 F C 2.380 178.130 175.800 -0.084 0.000 1.097 292 F CA 0.646 58.625 58.000 -0.035 0.000 1.422 292 F CB -1.104 37.902 39.000 0.010 0.000 1.067 292 F HN 0.378 nan 8.300 nan 0.000 0.539 293 G N -0.338 108.474 108.800 0.021 0.000 2.598 293 G HA2 -0.114 3.846 3.960 0.001 0.000 0.215 293 G HA3 -0.114 3.846 3.960 0.001 0.000 0.215 293 G C 1.714 176.398 174.900 -0.360 0.000 1.131 293 G CA 0.250 45.190 45.100 -0.266 0.000 0.785 293 G HN 0.346 nan 8.290 nan 0.000 0.539 294 L N -0.982 120.118 121.223 -0.204 0.000 2.313 294 L HA 0.249 4.589 4.340 0.001 0.000 0.214 294 L C 0.158 176.879 176.870 -0.250 0.000 1.119 294 L CA 0.208 54.978 54.840 -0.117 0.000 0.809 294 L CB -0.070 42.005 42.059 0.026 0.000 0.933 294 L HN 0.047 nan 8.230 nan 0.000 0.449 295 L N -1.158 119.923 121.223 -0.238 0.000 2.385 295 L HA 0.346 4.686 4.340 0.001 0.000 0.273 295 L C -1.815 174.807 176.870 -0.414 0.000 0.990 295 L CA -1.287 53.347 54.840 -0.342 0.000 0.821 295 L CB 1.533 43.479 42.059 -0.188 0.000 1.279 295 L HN -0.332 nan 8.230 nan 0.000 0.412 296 P HA -0.070 nan 4.420 nan 0.000 0.217 296 P C 1.430 178.472 177.300 -0.431 0.000 1.150 296 P CA 1.003 63.786 63.100 -0.527 0.000 0.832 296 P CB 0.350 31.599 31.700 -0.752 0.000 0.787 297 G N -0.302 108.083 108.800 -0.692 0.000 2.422 297 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 297 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 297 G C 1.336 175.938 174.900 -0.498 0.000 1.146 297 G CA 0.519 44.953 45.100 -1.111 0.000 0.769 297 G HN 0.148 nan 8.290 nan 0.000 0.547 298 L N -0.404 120.590 121.223 -0.381 0.000 2.109 298 L HA 0.198 4.539 4.340 0.001 0.000 0.207 298 L C 2.642 179.330 176.870 -0.303 0.000 1.086 298 L CA 1.240 55.852 54.840 -0.381 0.000 0.760 298 L CB -0.516 41.203 42.059 -0.567 0.000 0.910 298 L HN 0.199 nan 8.230 nan 0.000 0.437 299 M N -1.410 118.072 119.600 -0.197 0.000 2.319 299 M HA -0.091 4.389 4.480 0.001 0.000 0.265 299 M C 1.888 178.167 176.300 -0.035 0.000 1.068 299 M CA 1.302 56.568 55.300 -0.056 0.000 1.118 299 M CB -0.425 32.148 32.600 -0.044 0.000 1.395 299 M HN 0.159 nan 8.290 nan 0.000 0.435 300 L N -0.913 120.251 121.223 -0.098 0.000 2.017 300 L HA -0.233 4.107 4.340 0.001 0.000 0.208 300 L C 1.740 178.512 176.870 -0.165 0.000 1.073 300 L CA 2.086 56.861 54.840 -0.109 0.000 0.745 300 L CB -0.933 41.057 42.059 -0.116 0.000 0.894 300 L HN 0.296 nan 8.230 nan 0.000 0.432 301 Y N 0.032 120.225 120.300 -0.178 0.000 2.373 301 Y HA -0.034 4.516 4.550 0.001 0.000 0.293 301 Y C 2.611 178.411 175.900 -0.166 0.000 1.129 301 Y CA 1.067 58.994 58.100 -0.289 0.000 1.226 301 Y CB -0.436 37.595 38.460 -0.715 0.000 1.000 301 Y HN 0.286 nan 8.280 nan 0.000 0.549 302 A N -0.749 122.127 122.820 0.094 0.000 1.930 302 A HA -0.146 4.174 4.320 0.001 0.000 0.217 302 A C 2.246 179.930 177.584 0.168 0.000 1.175 302 A CA 2.101 54.281 52.037 0.239 0.000 0.627 302 A CB -1.002 18.170 19.000 0.287 0.000 0.815 302 A HN 0.370 nan 8.150 nan 0.000 0.443 303 T N 0.461 115.076 114.554 0.102 0.000 2.701 303 T HA -0.074 4.276 4.350 0.001 0.000 0.263 303 T C 1.823 176.524 174.700 0.002 0.000 1.040 303 T CA 1.494 63.634 62.100 0.067 0.000 1.147 303 T CB -0.421 68.493 68.868 0.077 0.000 0.865 303 T HN 0.414 nan 8.240 nan 0.000 0.426 304 I N -0.604 119.931 120.570 -0.058 0.000 2.163 304 I HA -0.208 3.963 4.170 0.001 0.000 0.243 304 I C 2.255 178.294 176.117 -0.129 0.000 1.085 304 I CA 1.579 62.780 61.300 -0.165 0.000 1.347 304 I CB -0.361 37.459 38.000 -0.301 0.000 1.044 304 I HN 0.327 nan 8.210 nan 0.000 0.408 305 W N 0.416 121.721 121.300 0.009 0.000 2.436 305 W HA -0.079 4.581 4.660 0.000 0.000 0.284 305 W C 2.424 178.964 176.519 0.035 0.000 1.225 305 W CA 0.434 57.802 57.345 0.039 0.000 1.271 305 W CB -0.242 29.236 29.460 0.031 0.000 1.114 305 W HN 0.107 nan 8.180 nan 0.000 0.559 306 L N 0.626 121.976 121.223 0.211 0.000 2.056 306 L HA -0.142 4.198 4.340 0.001 0.000 0.207 306 L C 2.528 179.468 176.870 0.118 0.000 1.078 306 L CA 1.682 56.608 54.840 0.144 0.000 0.749 306 L CB -0.333 41.787 42.059 0.101 0.000 0.901 306 L HN -0.106 nan 8.230 nan 0.000 0.433 307 R N -0.592 119.925 120.500 0.029 0.000 2.092 307 R HA -0.202 4.138 4.340 0.001 0.000 0.231 307 R C 2.165 178.460 176.300 -0.008 0.000 1.119 307 R CA 1.418 57.490 56.100 -0.046 0.000 0.970 307 R CB -0.233 29.996 30.300 -0.119 0.000 0.864 307 R HN 0.354 nan 8.270 nan 0.000 0.440 308 E N 0.243 120.461 120.200 0.030 0.000 2.031 308 E HA -0.227 4.124 4.350 0.001 0.000 0.193 308 E C 1.752 178.445 176.600 0.155 0.000 0.994 308 E CA 1.707 58.141 56.400 0.057 0.000 0.800 308 E CB -0.217 29.506 29.700 0.038 0.000 0.752 308 E HN 0.381 nan 8.360 nan 0.000 0.447 309 H N -0.147 119.024 119.070 0.169 0.000 2.289 309 H HA -0.098 4.458 4.556 0.001 0.000 0.296 309 H C 1.589 177.007 175.328 0.150 0.000 1.091 309 H CA 2.455 58.629 56.048 0.210 0.000 1.274 309 H CB -0.204 29.722 29.762 0.274 0.000 1.364 309 H HN 0.160 nan 8.280 nan 0.000 0.490 310 N N -0.112 118.689 118.700 0.169 0.000 2.309 310 N HA -0.097 4.643 4.740 0.001 0.000 0.182 310 N C 1.907 177.409 175.510 -0.013 0.000 1.018 310 N CA 0.856 53.943 53.050 0.062 0.000 0.876 310 N CB -0.256 38.242 38.487 0.018 0.000 0.972 310 N HN 0.378 nan 8.380 nan 0.000 0.434 311 R N 0.542 121.033 120.500 -0.016 0.000 2.090 311 R HA 0.022 4.362 4.340 0.001 0.000 0.228 311 R C 1.435 177.726 176.300 -0.015 0.000 1.110 311 R CA 0.814 56.897 56.100 -0.028 0.000 0.973 311 R CB -0.123 30.156 30.300 -0.035 0.000 0.869 311 R HN 0.011 nan 8.270 nan 0.000 0.440 312 V N 0.381 120.291 119.914 -0.007 0.000 2.427 312 V HA -0.290 3.830 4.120 0.001 0.000 0.248 312 V C 2.504 178.591 176.094 -0.012 0.000 1.051 312 V CA 1.584 63.886 62.300 0.003 0.000 1.048 312 V CB -0.403 31.438 31.823 0.029 0.000 0.666 312 V HN 0.510 nan 8.190 nan 0.000 0.456 313 C N 0.044 119.309 119.300 -0.057 0.000 2.413 313 C HA -0.181 4.279 4.460 0.001 0.000 0.276 313 C C 2.518 177.523 174.990 0.025 0.000 1.248 313 C CA 0.916 59.925 59.018 -0.014 0.000 1.742 313 C CB -1.071 26.659 27.740 -0.016 0.000 2.017 313 C HN 0.596 nan 8.230 nan 0.000 0.481 314 D N 0.733 121.138 120.400 0.009 0.000 2.117 314 D HA -0.090 4.550 4.640 0.001 0.000 0.197 314 D C 2.079 178.376 176.300 -0.005 0.000 0.987 314 D CA 1.112 55.116 54.000 0.006 0.000 0.829 314 D CB -0.407 40.388 40.800 -0.008 0.000 0.961 314 D HN 0.463 nan 8.370 nan 0.000 0.460 315 L N 0.013 121.232 121.223 -0.007 0.000 2.056 315 L HA -0.169 4.172 4.340 0.001 0.000 0.207 315 L C 2.296 179.149 176.870 -0.029 0.000 1.078 315 L CA 0.460 55.289 54.840 -0.017 0.000 0.749 315 L CB -0.205 41.850 42.059 -0.006 0.000 0.901 315 L HN 0.041 nan 8.230 nan 0.000 0.433 316 L N -0.172 121.054 121.223 0.005 0.000 2.201 316 L HA -0.167 4.174 4.340 0.001 0.000 0.212 316 L C 2.430 179.278 176.870 -0.037 0.000 1.105 316 L CA 1.538 56.385 54.840 0.011 0.000 0.775 316 L CB -0.755 41.374 42.059 0.117 0.000 0.913 316 L HN 0.177 nan 8.230 nan 0.000 0.440 317 K N -0.682 119.718 120.400 -0.000 0.000 2.155 317 K HA -0.084 4.236 4.320 0.001 0.000 0.203 317 K C 2.044 178.607 176.600 -0.062 0.000 1.052 317 K CA 1.010 57.299 56.287 0.003 0.000 0.948 317 K CB 0.071 32.595 32.500 0.040 0.000 0.728 317 K HN 0.276 nan 8.250 nan 0.000 0.448 318 A N 1.193 123.962 122.820 -0.085 0.000 1.929 318 A HA -0.101 4.219 4.320 0.001 0.000 0.216 318 A C 1.788 179.254 177.584 -0.196 0.000 1.176 318 A CA 1.157 53.129 52.037 -0.108 0.000 0.628 318 A CB -0.227 18.723 19.000 -0.084 0.000 0.816 318 A HN 0.265 nan 8.150 nan 0.000 0.444 319 E N 0.001 120.019 120.200 -0.303 0.000 2.107 319 E HA -0.067 4.283 4.350 0.001 0.000 0.191 319 E C -0.093 176.002 176.600 -0.843 0.000 0.982 319 E CA 0.780 56.840 56.400 -0.567 0.000 0.809 319 E CB -0.158 29.125 29.700 -0.694 0.000 0.756 319 E HN 0.727 nan 8.360 nan 0.000 0.459 320 H N 0.305 119.108 119.070 -0.446 0.000 2.541 320 H HA 0.176 4.733 4.556 0.000 0.000 0.246 320 H C -1.857 173.303 175.328 -0.280 0.000 1.341 320 H CA -1.588 54.106 56.048 -0.590 0.000 1.469 320 H CB 1.224 30.033 29.762 -1.590 0.000 1.472 320 H HN 0.029 nan 8.280 nan 0.000 0.503 321 P HA -0.064 nan 4.420 nan 0.000 0.237 321 P C 1.296 178.641 177.300 0.075 0.000 1.178 321 P CA 0.728 63.833 63.100 0.008 0.000 0.766 321 P CB 0.102 31.793 31.700 -0.014 0.000 0.876 322 T N -7.125 107.495 114.554 0.111 0.000 3.069 322 T HA 0.079 4.429 4.350 0.001 0.000 0.252 322 T C 0.313 175.193 174.700 0.299 0.000 1.053 322 T CA -0.475 61.727 62.100 0.169 0.000 0.964 322 T CB -0.485 68.472 68.868 0.148 0.000 1.005 322 T HN -0.170 nan 8.240 nan 0.000 0.532 323 W N 2.746 124.084 121.300 0.062 0.000 2.216 323 W HA 0.655 5.315 4.660 0.000 0.000 0.326 323 W C 1.165 177.706 176.519 0.037 0.000 1.319 323 W CA -0.857 56.509 57.345 0.035 0.000 1.213 323 W CB 0.136 29.613 29.460 0.029 0.000 1.171 323 W HN 0.290 nan 8.180 nan 0.000 0.557 324 G N 1.446 110.347 108.800 0.169 0.000 2.588 324 G HA2 0.001 3.961 3.960 0.001 0.000 0.278 324 G HA3 0.001 3.961 3.960 0.001 0.000 0.278 324 G C 0.466 175.437 174.900 0.118 0.000 1.307 324 G CA 0.057 45.221 45.100 0.107 0.000 1.016 324 G HN 0.507 nan 8.290 nan 0.000 0.503 325 D N -1.224 119.238 120.400 0.103 0.000 2.117 325 D HA -0.146 4.494 4.640 0.001 0.000 0.197 325 D C 2.045 178.410 176.300 0.108 0.000 0.987 325 D CA 1.510 55.580 54.000 0.118 0.000 0.829 325 D CB 0.046 40.922 40.800 0.125 0.000 0.961 325 D HN 0.388 nan 8.370 nan 0.000 0.460 326 E N 0.150 120.391 120.200 0.068 0.000 2.077 326 E HA -0.208 4.142 4.350 0.001 0.000 0.193 326 E C 2.031 178.639 176.600 0.014 0.000 0.989 326 E CA 1.194 57.632 56.400 0.062 0.000 0.800 326 E CB -0.269 29.449 29.700 0.031 0.000 0.746 326 E HN 0.447 nan 8.360 nan 0.000 0.452 327 Q N -0.520 119.198 119.800 -0.137 0.000 2.123 327 Q HA -0.056 4.284 4.340 0.001 0.000 0.199 327 Q C 2.140 178.001 176.000 -0.232 0.000 0.966 327 Q CA 1.003 56.563 55.803 -0.404 0.000 0.845 327 Q CB -0.021 28.152 28.738 -0.943 0.000 0.907 327 Q HN 0.333 nan 8.270 nan 0.000 0.439 328 L N -0.277 120.994 121.223 0.081 0.000 2.083 328 L HA -0.151 4.190 4.340 0.001 0.000 0.209 328 L C 2.220 179.195 176.870 0.174 0.000 1.083 328 L CA 1.046 56.045 54.840 0.266 0.000 0.752 328 L CB -0.423 41.809 42.059 0.289 0.000 0.899 328 L HN 0.316 nan 8.230 nan 0.000 0.433 329 F N 0.433 120.404 119.950 0.035 0.000 2.084 329 F HA -0.203 4.325 4.527 0.001 0.000 0.296 329 F C 2.690 178.505 175.800 0.025 0.000 1.111 329 F CA 1.434 59.472 58.000 0.063 0.000 1.224 329 F CB -0.223 38.781 39.000 0.007 0.000 0.991 329 F HN -0.009 nan 8.300 nan 0.000 0.471 330 Q N 0.095 119.799 119.800 -0.159 0.000 2.124 330 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 330 Q C 2.202 178.049 176.000 -0.255 0.000 0.977 330 Q CA 2.140 57.763 55.803 -0.301 0.000 0.850 330 Q CB -1.127 27.539 28.738 -0.119 0.000 0.901 330 Q HN 0.443 nan 8.270 nan 0.000 0.429 331 T N 1.148 115.612 114.554 -0.151 0.000 2.821 331 T HA -0.023 4.328 4.350 0.001 0.000 0.267 331 T C 1.889 176.612 174.700 0.038 0.000 1.046 331 T CA 1.163 63.236 62.100 -0.044 0.000 1.139 331 T CB -0.158 68.770 68.868 0.101 0.000 0.871 331 T HN 0.379 nan 8.240 nan 0.000 0.454 332 A N 1.716 124.526 122.820 -0.017 0.000 1.930 332 A HA -0.057 4.263 4.320 0.001 0.000 0.217 332 A C 2.299 179.930 177.584 0.079 0.000 1.175 332 A CA 1.581 53.612 52.037 -0.010 0.000 0.627 332 A CB -0.545 18.293 19.000 -0.270 0.000 0.815 332 A HN 0.411 nan 8.150 nan 0.000 0.443 333 R N -0.304 120.135 120.500 -0.101 0.000 2.081 333 R HA -0.060 4.281 4.340 0.001 0.000 0.235 333 R C 1.905 178.260 176.300 0.092 0.000 1.131 333 R CA 1.549 57.578 56.100 -0.118 0.000 0.960 333 R CB -0.424 29.491 30.300 -0.642 0.000 0.856 333 R HN 0.501 nan 8.270 nan 0.000 0.436 334 L N 0.289 121.562 121.223 0.084 0.000 2.046 334 L HA -0.182 4.158 4.340 0.001 0.000 0.208 334 L C 2.397 179.597 176.870 0.551 0.000 1.077 334 L CA 1.244 56.231 54.840 0.245 0.000 0.747 334 L CB -0.362 41.711 42.059 0.023 0.000 0.896 334 L HN 0.244 nan 8.230 nan 0.000 0.432 335 I N -0.710 120.165 120.570 0.508 0.000 2.179 335 I HA -0.305 3.865 4.170 0.001 0.000 0.242 335 I C 2.340 178.674 176.117 0.362 0.000 1.088 335 I CA 1.226 62.789 61.300 0.439 0.000 1.357 335 I CB -0.196 37.999 38.000 0.326 0.000 1.051 335 I HN 0.159 nan 8.210 nan 0.000 0.409 336 L N 0.186 121.634 121.223 0.375 0.000 2.131 336 L HA -0.173 4.168 4.340 0.001 0.000 0.210 336 L C 2.275 179.351 176.870 0.343 0.000 1.092 336 L CA 1.703 56.811 54.840 0.447 0.000 0.759 336 L CB -0.460 41.904 42.059 0.507 0.000 0.903 336 L HN 0.167 nan 8.230 nan 0.000 0.435 337 I N -1.098 119.656 120.570 0.307 0.000 2.179 337 I HA -0.233 3.938 4.170 0.001 0.000 0.242 337 I C 2.495 178.788 176.117 0.292 0.000 1.088 337 I CA 1.461 62.921 61.300 0.266 0.000 1.357 337 I CB -0.915 37.255 38.000 0.283 0.000 1.051 337 I HN 0.328 nan 8.210 nan 0.000 0.409 338 G N 0.074 109.107 108.800 0.388 0.000 2.422 338 G HA2 -0.220 3.741 3.960 0.001 0.000 0.218 338 G HA3 -0.220 3.741 3.960 0.001 0.000 0.218 338 G C 1.542 176.603 174.900 0.270 0.000 1.146 338 G CA 0.565 45.899 45.100 0.390 0.000 0.769 338 G HN 0.404 nan 8.290 nan 0.000 0.547 339 E N -0.108 120.270 120.200 0.297 0.000 2.106 339 E HA -0.083 4.267 4.350 0.001 0.000 0.192 339 E C 2.778 179.591 176.600 0.354 0.000 0.984 339 E CA 1.295 57.887 56.400 0.320 0.000 0.806 339 E CB -0.131 29.810 29.700 0.401 0.000 0.750 339 E HN 0.364 nan 8.360 nan 0.000 0.458 340 T N 1.672 116.440 114.554 0.357 0.000 2.643 340 T HA -0.135 4.216 4.350 0.001 0.000 0.264 340 T C 2.041 176.787 174.700 0.077 0.000 1.045 340 T CA 1.080 63.349 62.100 0.283 0.000 1.155 340 T CB -0.263 68.661 68.868 0.093 0.000 0.863 340 T HN 0.119 nan 8.240 nan 0.000 0.420 341 I N 0.996 121.524 120.570 -0.071 0.000 2.361 341 I HA -0.166 4.004 4.170 0.001 0.000 0.251 341 I C 2.520 178.302 176.117 -0.559 0.000 1.133 341 I CA 1.065 62.158 61.300 -0.345 0.000 1.413 341 I CB -0.362 37.322 38.000 -0.526 0.000 1.073 341 I HN 0.128 nan 8.210 nan 0.000 0.424 342 K N 2.002 122.137 120.400 -0.441 0.000 1.985 342 K HA -0.123 4.198 4.320 0.001 0.000 0.210 342 K C 1.886 178.511 176.600 0.041 0.000 1.047 342 K CA 1.811 58.024 56.287 -0.122 0.000 0.932 342 K CB -0.394 32.201 32.500 0.158 0.000 0.716 342 K HN 0.227 nan 8.250 nan 0.000 0.439 343 I N 0.064 120.695 120.570 0.102 0.000 2.252 343 I HA -0.237 3.934 4.170 0.001 0.000 0.245 343 I C 2.105 178.291 176.117 0.114 0.000 1.102 343 I CA 0.763 62.153 61.300 0.150 0.000 1.385 343 I CB -0.228 37.906 38.000 0.223 0.000 1.064 343 I HN -0.040 nan 8.210 nan 0.000 0.414 344 V N 1.185 121.112 119.914 0.022 0.000 2.287 344 V HA -0.300 3.820 4.120 0.001 0.000 0.248 344 V C 2.290 178.448 176.094 0.107 0.000 1.053 344 V CA 2.066 64.334 62.300 -0.053 0.000 1.027 344 V CB -0.365 31.272 31.823 -0.309 0.000 0.646 344 V HN 0.332 nan 8.190 nan 0.000 0.447 345 I N -0.553 120.060 120.570 0.072 0.000 2.193 345 I HA -0.162 4.008 4.170 0.001 0.000 0.240 345 I C 2.377 178.577 176.117 0.138 0.000 1.084 345 I CA 1.510 62.883 61.300 0.123 0.000 1.365 345 I CB -0.309 37.768 38.000 0.128 0.000 1.064 345 I HN 0.318 nan 8.210 nan 0.000 0.410 346 E N -0.036 120.250 120.200 0.142 0.000 2.435 346 E HA -0.080 4.270 4.350 0.001 0.000 0.195 346 E C 1.308 177.998 176.600 0.151 0.000 1.029 346 E CA 0.572 57.056 56.400 0.142 0.000 0.865 346 E CB 0.356 30.142 29.700 0.144 0.000 0.833 346 E HN 0.541 nan 8.360 nan 0.000 0.510 347 E N -1.072 119.243 120.200 0.192 0.000 2.940 347 E HA -0.011 4.340 4.350 0.001 0.000 0.203 347 E C 1.306 178.058 176.600 0.253 0.000 0.995 347 E CA -0.170 56.404 56.400 0.291 0.000 1.396 347 E CB -0.071 29.869 29.700 0.400 0.000 1.310 347 E HN 0.058 nan 8.360 nan 0.000 0.613 348 Y N 1.985 122.226 120.300 -0.098 0.000 2.114 348 Y HA -0.218 4.332 4.550 0.001 0.000 0.284 348 Y C 2.050 177.908 175.900 -0.069 0.000 1.143 348 Y CA 1.631 59.411 58.100 -0.533 0.000 1.135 348 Y CB -0.226 37.819 38.460 -0.692 0.000 0.980 348 Y HN -0.164 nan 8.280 nan 0.000 0.499 349 V N 0.483 120.431 119.914 0.058 0.000 2.515 349 V HA -0.273 3.847 4.120 0.001 0.000 0.250 349 V C 2.283 178.336 176.094 -0.068 0.000 1.058 349 V CA 1.987 64.302 62.300 0.024 0.000 1.064 349 V CB -0.795 31.111 31.823 0.139 0.000 0.675 349 V HN 0.379 nan 8.190 nan 0.000 0.461 350 Q N 0.306 120.099 119.800 -0.012 0.000 2.135 350 Q HA -0.265 4.076 4.340 0.001 0.000 0.204 350 Q C 2.176 178.115 176.000 -0.100 0.000 0.981 350 Q CA 2.242 58.025 55.803 -0.034 0.000 0.856 350 Q CB -0.323 28.449 28.738 0.056 0.000 0.902 350 Q HN 0.686 nan 8.270 nan 0.000 0.425 351 Q N -0.100 119.654 119.800 -0.076 0.000 2.020 351 Q HA -0.094 4.246 4.340 0.001 0.000 0.198 351 Q C 1.983 177.789 176.000 -0.323 0.000 0.974 351 Q CA 2.007 57.728 55.803 -0.136 0.000 0.829 351 Q CB -0.378 28.336 28.738 -0.041 0.000 0.894 351 Q HN 0.574 nan 8.270 nan 0.000 0.433 352 L N -0.724 120.270 121.223 -0.382 0.000 2.240 352 L HA 0.140 4.480 4.340 0.001 0.000 0.211 352 L C 2.110 178.731 176.870 -0.416 0.000 1.106 352 L CA 1.451 56.000 54.840 -0.485 0.000 0.793 352 L CB -0.813 41.005 42.059 -0.403 0.000 0.927 352 L HN 0.236 nan 8.230 nan 0.000 0.446 353 S N 0.241 115.702 115.700 -0.399 0.000 2.387 353 S HA 0.108 4.579 4.470 0.001 0.000 0.226 353 S C 1.797 176.031 174.600 -0.609 0.000 1.026 353 S CA 0.562 58.383 58.200 -0.632 0.000 0.972 353 S CB -1.010 61.529 63.200 -1.101 0.000 0.814 353 S HN 0.865 nan 8.310 nan 0.000 0.477 354 G N 0.427 108.946 108.800 -0.469 0.000 2.160 354 G HA2 -0.276 3.684 3.960 0.001 0.000 0.251 354 G HA3 -0.276 3.684 3.960 0.001 0.000 0.251 354 G C -0.052 174.592 174.900 -0.427 0.000 1.008 354 G CA 0.325 45.187 45.100 -0.397 0.000 0.724 354 G HN 0.687 nan 8.290 nan 0.000 0.514 355 Y N -1.038 119.022 120.300 -0.401 0.000 2.411 355 Y HA 0.376 4.926 4.550 0.001 0.000 0.333 355 Y C 1.480 177.108 175.900 -0.453 0.000 1.186 355 Y CA -1.170 56.618 58.100 -0.519 0.000 1.381 355 Y CB 0.402 38.637 38.460 -0.376 0.000 1.273 355 Y HN 0.016 nan 8.280 nan 0.000 0.546 356 F N 1.307 120.997 119.950 -0.433 0.000 2.615 356 F HA 0.002 4.530 4.527 0.000 0.000 0.297 356 F C 0.744 176.277 175.800 -0.445 0.000 1.124 356 F CA -0.269 57.470 58.000 -0.435 0.000 1.451 356 F CB -0.424 38.292 39.000 -0.474 0.000 1.103 356 F HN 0.295 nan 8.300 nan 0.000 0.569 357 L N 1.413 122.296 121.223 -0.566 0.000 2.477 357 L HA 0.066 4.406 4.340 0.001 0.000 0.272 357 L C 0.601 177.438 176.870 -0.054 0.000 1.157 357 L CA 0.169 54.806 54.840 -0.340 0.000 0.889 357 L CB 0.196 41.922 42.059 -0.555 0.000 1.158 357 L HN 0.098 nan 8.230 nan 0.000 0.473 358 Q N 4.990 124.816 119.800 0.043 0.000 2.300 358 Q HA 0.205 4.546 4.340 0.001 0.000 0.262 358 Q C -0.772 175.269 176.000 0.068 0.000 1.109 358 Q CA -0.181 55.661 55.803 0.064 0.000 0.905 358 Q CB 0.290 29.072 28.738 0.074 0.000 1.280 358 Q HN 0.708 nan 8.270 nan 0.000 0.426 359 L N 3.753 125.024 121.223 0.081 0.000 2.452 359 L HA 0.271 4.611 4.340 0.001 0.000 0.267 359 L C 0.166 177.096 176.870 0.100 0.000 1.188 359 L CA 0.349 55.248 54.840 0.098 0.000 0.821 359 L CB 0.479 42.610 42.059 0.119 0.000 1.102 359 L HN 0.508 nan 8.230 nan 0.000 0.470 360 K N 2.083 122.544 120.400 0.101 0.000 2.513 360 K HA 0.305 4.625 4.320 0.001 0.000 0.251 360 K C -1.559 175.122 176.600 0.134 0.000 0.939 360 K CA -0.681 55.664 56.287 0.096 0.000 0.793 360 K CB 1.629 34.153 32.500 0.040 0.000 1.241 360 K HN 0.320 nan 8.250 nan 0.000 0.431 361 F N 4.622 124.571 119.950 -0.001 0.000 2.368 361 F HA 0.338 4.866 4.527 0.001 0.000 0.362 361 F C -0.949 174.795 175.800 -0.093 0.000 1.137 361 F CA -0.611 57.366 58.000 -0.038 0.000 1.161 361 F CB 0.536 39.540 39.000 0.007 0.000 1.265 361 F HN 0.446 nan 8.300 nan 0.000 0.530 362 D N 8.152 128.213 120.400 -0.564 0.000 2.386 362 D HA 0.351 4.991 4.640 0.001 0.000 0.247 362 D C -2.260 173.565 176.300 -0.791 0.000 1.336 362 D CA -2.114 51.476 54.000 -0.684 0.000 0.976 362 D CB 2.123 42.717 40.800 -0.342 0.000 1.257 362 D HN 0.169 nan 8.370 nan 0.000 0.570 363 P HA -0.076 nan 4.420 nan 0.000 0.221 363 P C 0.802 177.399 177.300 -1.171 0.000 1.145 363 P CA 0.822 63.318 63.100 -1.006 0.000 0.795 363 P CB 0.384 31.296 31.700 -1.314 0.000 0.775 364 E N -0.538 118.944 120.200 -1.197 0.000 2.265 364 E HA -0.118 4.232 4.350 0.001 0.000 0.196 364 E C 1.719 177.868 176.600 -0.753 0.000 0.996 364 E CA 0.635 56.229 56.400 -1.343 0.000 0.832 364 E CB -0.551 28.834 29.700 -0.524 0.000 0.756 364 E HN 0.326 nan 8.360 nan 0.000 0.491 365 L N 0.292 121.211 121.223 -0.507 0.000 2.265 365 L HA -0.155 4.186 4.340 0.001 0.000 0.215 365 L C 1.993 178.733 176.870 -0.218 0.000 1.117 365 L CA 0.792 55.464 54.840 -0.279 0.000 0.782 365 L CB -0.123 41.802 42.059 -0.224 0.000 0.914 365 L HN 0.161 nan 8.230 nan 0.000 0.441 366 L N -1.945 119.110 121.223 -0.281 0.000 2.640 366 L HA 0.087 4.427 4.340 0.001 0.000 0.230 366 L C 1.804 178.785 176.870 0.185 0.000 1.123 366 L CA -0.062 54.703 54.840 -0.124 0.000 0.900 366 L CB -0.080 41.781 42.059 -0.329 0.000 1.146 366 L HN 0.197 nan 8.230 nan 0.000 0.484 367 F N 0.149 120.116 119.950 0.028 0.000 2.502 367 F HA -0.023 4.505 4.527 0.000 0.000 0.298 367 F C 1.941 177.784 175.800 0.071 0.000 1.111 367 F CA 0.306 58.354 58.000 0.080 0.000 1.445 367 F CB 0.123 39.168 39.000 0.075 0.000 1.081 367 F HN 0.192 nan 8.300 nan 0.000 0.558 368 G N 0.105 109.038 108.800 0.220 0.000 3.707 368 G HA2 0.523 4.483 3.960 0.001 0.000 0.286 368 G HA3 0.523 4.483 3.960 0.001 0.000 0.286 368 G C -0.261 174.701 174.900 0.103 0.000 1.112 368 G CA 0.155 45.337 45.100 0.137 0.000 0.861 368 G HN 0.227 nan 8.290 nan 0.000 0.534 369 A N -0.339 122.555 122.820 0.124 0.000 2.469 369 A HA 0.735 5.055 4.320 0.001 0.000 0.299 369 A C -0.426 177.239 177.584 0.134 0.000 1.098 369 A CA -0.729 51.371 52.037 0.104 0.000 0.737 369 A CB 1.184 20.232 19.000 0.079 0.000 1.312 369 A HN 0.192 nan 8.150 nan 0.000 0.414 370 Q N 0.512 120.377 119.800 0.108 0.000 2.369 370 Q HA 0.446 4.786 4.340 0.001 0.000 0.247 370 Q C -1.729 174.349 176.000 0.129 0.000 1.083 370 Q CA 0.540 56.400 55.803 0.094 0.000 0.905 370 Q CB 0.468 29.233 28.738 0.044 0.000 1.305 370 Q HN 0.471 nan 8.270 nan 0.000 0.465 371 F N 2.016 121.911 119.950 -0.091 0.000 2.585 371 F HA 0.210 4.737 4.527 0.000 0.000 0.319 371 F C -0.986 174.615 175.800 -0.332 0.000 1.165 371 F CA -0.859 57.004 58.000 -0.229 0.000 0.949 371 F CB 1.670 40.480 39.000 -0.317 0.000 1.218 371 F HN 0.260 nan 8.300 nan 0.000 0.453 372 Q N 5.782 125.176 119.800 -0.677 0.000 2.294 372 Q HA 0.135 4.475 4.340 0.001 0.000 0.257 372 Q C -1.108 174.589 176.000 -0.506 0.000 0.955 372 Q CA -0.119 55.428 55.803 -0.426 0.000 0.936 372 Q CB 0.915 29.470 28.738 -0.304 0.000 1.188 372 Q HN 0.691 nan 8.270 nan 0.000 0.420 373 Y N 3.538 123.831 120.300 -0.012 0.000 2.735 373 Y HA 0.121 4.672 4.550 0.000 0.000 0.354 373 Y C 0.667 176.562 175.900 -0.009 0.000 1.288 373 Y CA -0.304 57.837 58.100 0.069 0.000 1.836 373 Y CB 0.041 38.563 38.460 0.105 0.000 1.920 373 Y HN 0.359 nan 8.280 nan 0.000 0.438 374 R N 0.239 120.746 120.500 0.012 0.000 2.663 374 R HA 0.489 4.830 4.340 0.001 0.000 0.267 374 R C -2.033 174.232 176.300 -0.059 0.000 1.038 374 R CA -0.940 55.152 56.100 -0.013 0.000 0.886 374 R CB 1.729 32.009 30.300 -0.033 0.000 1.249 374 R HN 0.288 nan 8.270 nan 0.000 0.463 375 N N 1.081 119.753 118.700 -0.047 0.000 2.324 375 N HA 0.356 5.096 4.740 0.001 0.000 0.285 375 N C -1.671 173.794 175.510 -0.074 0.000 1.076 375 N CA -0.727 52.292 53.050 -0.051 0.000 0.864 375 N CB 2.554 41.028 38.487 -0.021 0.000 1.632 375 N HN 0.573 nan 8.380 nan 0.000 0.478 376 R N 3.371 123.817 120.500 -0.089 0.000 2.513 376 R HA 0.444 4.784 4.340 0.001 0.000 0.301 376 R C -0.612 175.741 176.300 0.088 0.000 0.968 376 R CA -0.560 55.437 56.100 -0.172 0.000 0.872 376 R CB 0.638 30.762 30.300 -0.294 0.000 1.177 376 R HN 0.460 nan 8.270 nan 0.000 0.444 377 I N 3.737 124.537 120.570 0.383 0.000 2.533 377 I HA 0.207 4.377 4.170 0.001 0.000 0.284 377 I C 0.676 177.037 176.117 0.406 0.000 1.109 377 I CA 0.017 61.563 61.300 0.410 0.000 1.412 377 I CB 0.409 38.706 38.000 0.496 0.000 1.396 377 I HN 0.705 nan 8.210 nan 0.000 0.543 378 A N 7.231 130.187 122.820 0.227 0.000 2.302 378 A HA 0.463 4.783 4.320 0.001 0.000 0.285 378 A C 1.251 178.811 177.584 -0.040 0.000 1.105 378 A CA -0.650 51.453 52.037 0.110 0.000 0.816 378 A CB 0.732 19.768 19.000 0.061 0.000 1.067 378 A HN 0.837 nan 8.150 nan 0.000 0.489 379 M N -0.125 119.418 119.600 -0.095 0.000 2.296 379 M HA -0.068 4.413 4.480 0.001 0.000 0.265 379 M C 0.955 177.084 176.300 -0.284 0.000 1.064 379 M CA 2.083 57.214 55.300 -0.281 0.000 1.109 379 M CB -0.720 31.783 32.600 -0.162 0.000 1.396 379 M HN 0.715 nan 8.290 nan 0.000 0.430 380 E N 0.939 120.972 120.200 -0.278 0.000 2.106 380 E HA -0.096 4.254 4.350 0.001 0.000 0.192 380 E C 1.681 178.154 176.600 -0.211 0.000 0.984 380 E CA 1.242 57.388 56.400 -0.424 0.000 0.806 380 E CB -0.392 29.055 29.700 -0.421 0.000 0.750 380 E HN 0.507 nan 8.360 nan 0.000 0.458 381 F N 1.730 121.295 119.950 -0.641 0.000 2.186 381 F HA -0.105 4.423 4.527 0.001 0.000 0.299 381 F C 1.909 177.591 175.800 -0.197 0.000 1.090 381 F CA 1.017 58.754 58.000 -0.440 0.000 1.307 381 F CB -0.384 38.287 39.000 -0.548 0.000 1.019 381 F HN 0.029 nan 8.300 nan 0.000 0.489 382 N N 0.360 118.818 118.700 -0.403 0.000 2.025 382 N HA -0.207 4.533 4.740 0.001 0.000 0.194 382 N C 1.837 177.051 175.510 -0.493 0.000 1.044 382 N CA 1.677 54.118 53.050 -1.015 0.000 0.851 382 N CB -0.305 37.694 38.487 -0.814 0.000 1.036 382 N HN 0.360 nan 8.380 nan 0.000 0.422 383 Q N 0.846 120.556 119.800 -0.152 0.000 2.077 383 Q HA -0.180 4.160 4.340 0.001 0.000 0.206 383 Q C 2.319 178.510 176.000 0.319 0.000 0.989 383 Q CA 1.054 56.909 55.803 0.086 0.000 0.853 383 Q CB -0.560 28.273 28.738 0.158 0.000 0.907 383 Q HN 0.490 nan 8.270 nan 0.000 0.418 384 L N -0.804 120.610 121.223 0.319 0.000 2.083 384 L HA -0.164 4.176 4.340 0.001 0.000 0.209 384 L C 1.832 178.800 176.870 0.163 0.000 1.083 384 L CA 1.318 56.336 54.840 0.295 0.000 0.752 384 L CB -0.219 42.039 42.059 0.331 0.000 0.899 384 L HN 0.141 nan 8.230 nan 0.000 0.433 385 Y N -0.820 119.327 120.300 -0.255 0.000 2.462 385 Y HA 0.010 4.560 4.550 0.001 0.000 0.293 385 Y C 0.258 175.786 175.900 -0.620 0.000 1.195 385 Y CA -0.354 57.319 58.100 -0.711 0.000 1.276 385 Y CB -0.083 37.843 38.460 -0.890 0.000 1.082 385 Y HN 0.261 nan 8.280 nan 0.000 0.514 386 H N -0.356 118.727 119.070 0.023 0.000 3.198 386 H HA -0.050 4.506 4.556 0.000 0.000 0.255 386 H C -0.636 174.994 175.328 0.503 0.000 1.729 386 H CA -0.017 56.169 56.048 0.229 0.000 1.495 386 H CB -0.618 29.267 29.762 0.206 0.000 1.807 386 H HN 0.273 nan 8.280 nan 0.000 0.554 387 W N 1.637 123.044 121.300 0.179 0.000 2.237 387 W HA 0.119 4.780 4.660 0.000 0.000 0.420 387 W C 0.279 176.836 176.519 0.062 0.000 0.635 387 W CA -0.769 56.673 57.345 0.162 0.000 2.255 387 W CB -1.129 28.453 29.460 0.203 0.000 1.432 387 W HN 0.702 nan 8.180 nan 0.000 0.643 388 H N 0.058 119.358 119.070 0.383 0.000 2.524 388 H HA -0.044 4.512 4.556 0.001 0.000 0.282 388 H C -0.555 174.900 175.328 0.211 0.000 1.016 388 H CA 0.941 57.147 56.048 0.264 0.000 1.270 388 H CB -1.055 28.836 29.762 0.215 0.000 1.394 388 H HN 0.028 nan 8.280 nan 0.000 0.568 389 P HA -0.135 nan 4.420 nan 0.000 0.219 389 P C 1.142 178.528 177.300 0.142 0.000 1.146 389 P CA 1.022 64.223 63.100 0.169 0.000 0.808 389 P CB 0.049 31.805 31.700 0.093 0.000 0.779 390 L N -2.502 118.814 121.223 0.154 0.000 2.187 390 L HA -0.103 4.237 4.340 0.001 0.000 0.213 390 L C 1.259 178.191 176.870 0.104 0.000 1.100 390 L CA 0.669 55.582 54.840 0.121 0.000 0.765 390 L CB -0.629 41.534 42.059 0.173 0.000 0.904 390 L HN 0.076 nan 8.230 nan 0.000 0.437 391 M N 1.072 120.746 119.600 0.123 0.000 2.200 391 M HA 0.204 4.684 4.480 0.001 0.000 0.355 391 M C -1.975 174.349 176.300 0.040 0.000 1.283 391 M CA -1.916 53.424 55.300 0.067 0.000 1.124 391 M CB 0.265 33.004 32.600 0.231 0.000 1.625 391 M HN -0.198 nan 8.290 nan 0.000 0.463 392 P HA 0.210 nan 4.420 nan 0.000 0.289 392 P C -0.170 176.948 177.300 -0.303 0.000 1.299 392 P CA -0.206 62.641 63.100 -0.420 0.000 0.766 392 P CB 0.835 32.113 31.700 -0.704 0.000 1.226 393 D N -1.357 118.832 120.400 -0.352 0.000 2.149 393 D HA -0.022 4.618 4.640 0.001 0.000 0.201 393 D C 0.611 176.881 176.300 -0.051 0.000 0.972 393 D CA 1.455 55.420 54.000 -0.058 0.000 0.835 393 D CB -0.138 40.615 40.800 -0.079 0.000 0.966 393 D HN 0.466 nan 8.370 nan 0.000 0.476 394 S N -1.103 114.387 115.700 -0.350 0.000 2.550 394 S HA 0.563 5.034 4.470 0.001 0.000 0.270 394 S C -1.074 173.211 174.600 -0.525 0.000 1.145 394 S CA -1.034 56.963 58.200 -0.339 0.000 0.852 394 S CB 0.947 64.096 63.200 -0.086 0.000 1.119 394 S HN -0.095 nan 8.310 nan 0.000 0.465 395 F N 1.381 121.178 119.950 -0.255 0.000 2.405 395 F HA 0.582 5.109 4.527 0.001 0.000 0.355 395 F C 0.901 176.701 175.800 -0.000 0.000 1.121 395 F CA -0.576 57.288 58.000 -0.226 0.000 1.112 395 F CB 1.235 39.858 39.000 -0.629 0.000 1.126 395 F HN 0.585 nan 8.300 nan 0.000 0.481 396 R N 2.660 123.247 120.500 0.145 0.000 2.294 396 R HA 0.661 5.001 4.340 0.001 0.000 0.319 396 R C -1.586 174.765 176.300 0.084 0.000 0.984 396 R CA -0.420 55.728 56.100 0.082 0.000 0.861 396 R CB 1.102 31.402 30.300 0.000 0.000 1.104 396 R HN 0.559 nan 8.270 nan 0.000 0.451 397 V N 5.868 125.805 119.914 0.038 0.000 2.266 397 V HA 0.381 4.501 4.120 0.001 0.000 0.266 397 V C 0.958 176.973 176.094 -0.132 0.000 1.036 397 V CA 0.203 62.420 62.300 -0.140 0.000 0.828 397 V CB 0.133 31.753 31.823 -0.339 0.000 1.081 397 V HN 1.186 nan 8.190 nan 0.000 0.449 398 G N 6.007 114.753 108.800 -0.090 0.000 2.543 398 G HA2 -0.217 3.744 3.960 0.001 0.000 0.286 398 G HA3 -0.217 3.744 3.960 0.001 0.000 0.286 398 G C -0.871 174.010 174.900 -0.031 0.000 1.153 398 G CA 0.355 45.426 45.100 -0.047 0.000 0.968 398 G HN 0.522 nan 8.290 nan 0.000 0.544 399 P HA 0.129 nan 4.420 nan 0.000 0.236 399 P C 0.404 177.673 177.300 -0.052 0.000 1.177 399 P CA 0.914 64.001 63.100 -0.021 0.000 0.773 399 P CB 0.157 31.857 31.700 0.000 0.000 0.878 400 Q N 0.915 120.672 119.800 -0.072 0.000 2.235 400 Q HA 0.272 4.612 4.340 0.001 0.000 0.250 400 Q C -0.660 175.176 176.000 -0.274 0.000 0.909 400 Q CA 0.204 55.874 55.803 -0.221 0.000 0.910 400 Q CB 1.165 29.734 28.738 -0.281 0.000 1.223 400 Q HN -0.014 nan 8.270 nan 0.000 0.432 401 D N 1.757 121.952 120.400 -0.341 0.000 2.420 401 D HA 0.235 4.875 4.640 0.001 0.000 0.255 401 D C -1.470 174.710 176.300 -0.199 0.000 1.185 401 D CA -0.356 53.526 54.000 -0.197 0.000 0.904 401 D CB 0.186 40.925 40.800 -0.101 0.000 1.102 401 D HN 0.213 nan 8.370 nan 0.000 0.534 402 Y N 1.677 122.049 120.300 0.120 0.000 2.313 402 Y HA 0.295 4.845 4.550 0.000 0.000 0.332 402 Y C 1.405 177.401 175.900 0.160 0.000 1.071 402 Y CA -0.736 57.466 58.100 0.169 0.000 1.169 402 Y CB 1.180 39.797 38.460 0.261 0.000 1.192 402 Y HN 0.275 nan 8.280 nan 0.000 0.487 403 S N 1.437 117.314 115.700 0.294 0.000 2.641 403 S HA 0.121 4.591 4.470 0.001 0.000 0.261 403 S C 0.773 175.521 174.600 0.247 0.000 1.257 403 S CA -0.452 57.888 58.200 0.233 0.000 0.983 403 S CB 0.294 63.622 63.200 0.215 0.000 0.990 403 S HN 0.663 nan 8.310 nan 0.000 0.572 404 Y N 0.898 121.232 120.300 0.055 0.000 2.181 404 Y HA -0.104 4.446 4.550 0.000 0.000 0.288 404 Y C 2.616 178.535 175.900 0.032 0.000 1.146 404 Y CA 2.046 60.140 58.100 -0.011 0.000 1.164 404 Y CB -0.495 37.643 38.460 -0.537 0.000 0.982 404 Y HN 0.698 nan 8.280 nan 0.000 0.515 405 E N -0.138 120.177 120.200 0.192 0.000 2.110 405 E HA -0.223 4.127 4.350 0.001 0.000 0.193 405 E C 2.006 178.718 176.600 0.187 0.000 0.988 405 E CA 1.609 58.128 56.400 0.198 0.000 0.804 405 E CB -0.263 29.555 29.700 0.197 0.000 0.745 405 E HN 0.573 nan 8.360 nan 0.000 0.458 406 Q N -0.923 119.000 119.800 0.206 0.000 2.187 406 Q HA -0.037 4.303 4.340 0.001 0.000 0.199 406 Q C 1.728 177.792 176.000 0.107 0.000 0.957 406 Q CA 0.841 56.761 55.803 0.195 0.000 0.857 406 Q CB -0.058 28.876 28.738 0.327 0.000 0.929 406 Q HN 0.253 nan 8.270 nan 0.000 0.453 407 F N 0.765 120.680 119.950 -0.058 0.000 2.179 407 F HA 0.056 4.583 4.527 0.001 0.000 0.292 407 F C 0.494 176.113 175.800 -0.303 0.000 1.089 407 F CA 0.058 57.909 58.000 -0.248 0.000 1.295 407 F CB 0.207 38.959 39.000 -0.414 0.000 1.041 407 F HN -0.062 nan 8.300 nan 0.000 0.487 408 L N 1.125 122.247 121.223 -0.168 0.000 2.490 408 L HA 0.032 4.372 4.340 0.001 0.000 0.274 408 L C 0.054 176.648 176.870 -0.460 0.000 1.201 408 L CA 0.806 55.337 54.840 -0.515 0.000 0.869 408 L CB -0.551 41.109 42.059 -0.665 0.000 1.123 408 L HN 0.424 nan 8.230 nan 0.000 0.484 409 F N -0.041 119.837 119.950 -0.121 0.000 2.973 409 F HA -0.317 4.210 4.527 0.001 0.000 0.299 409 F C 1.039 176.772 175.800 -0.112 0.000 0.737 409 F CA 0.345 58.280 58.000 -0.108 0.000 1.151 409 F CB -1.589 37.390 39.000 -0.035 0.000 1.440 409 F HN 0.669 nan 8.300 nan 0.000 0.367 410 N N 1.657 120.289 118.700 -0.114 0.000 2.497 410 N HA 0.108 4.848 4.740 0.001 0.000 0.268 410 N C 1.129 176.568 175.510 -0.118 0.000 1.171 410 N CA 1.156 54.125 53.050 -0.135 0.000 0.948 410 N CB 1.206 39.525 38.487 -0.279 0.000 1.069 410 N HN 0.331 nan 8.380 nan 0.000 0.460 411 T N -1.397 113.130 114.554 -0.046 0.000 3.001 411 T HA 0.022 4.372 4.350 0.001 0.000 0.251 411 T C 1.466 176.121 174.700 -0.075 0.000 1.040 411 T CA 0.436 62.528 62.100 -0.014 0.000 0.985 411 T CB -0.053 68.847 68.868 0.053 0.000 1.011 411 T HN 0.437 nan 8.240 nan 0.000 0.509 412 S N 0.216 115.854 115.700 -0.104 0.000 2.524 412 S HA 0.288 4.759 4.470 0.001 0.000 0.222 412 S C 1.930 176.440 174.600 -0.150 0.000 1.040 412 S CA -0.219 57.907 58.200 -0.124 0.000 0.915 412 S CB -0.341 62.798 63.200 -0.100 0.000 0.831 412 S HN 0.287 nan 8.310 nan 0.000 0.492 413 M N 1.002 120.503 119.600 -0.164 0.000 2.106 413 M HA -0.059 4.422 4.480 0.001 0.000 0.259 413 M C 2.028 178.293 176.300 -0.058 0.000 1.068 413 M CA 1.632 56.852 55.300 -0.133 0.000 1.100 413 M CB -0.303 32.154 32.600 -0.238 0.000 1.351 413 M HN 0.467 nan 8.290 nan 0.000 0.404 414 L N -0.185 120.965 121.223 -0.122 0.000 2.046 414 L HA -0.135 4.206 4.340 0.001 0.000 0.208 414 L C 2.030 178.823 176.870 -0.128 0.000 1.077 414 L CA 1.593 56.376 54.840 -0.096 0.000 0.747 414 L CB -0.603 41.384 42.059 -0.121 0.000 0.896 414 L HN 0.150 nan 8.230 nan 0.000 0.432 415 V N -0.238 119.523 119.914 -0.255 0.000 2.379 415 V HA -0.226 3.895 4.120 0.001 0.000 0.245 415 V C 2.280 178.282 176.094 -0.154 0.000 1.044 415 V CA 1.766 63.868 62.300 -0.330 0.000 1.036 415 V CB -0.794 30.809 31.823 -0.365 0.000 0.664 415 V HN 0.443 nan 8.190 nan 0.000 0.453 416 D N -0.660 119.644 120.400 -0.159 0.000 2.092 416 D HA -0.200 4.440 4.640 0.001 0.000 0.193 416 D C 2.063 178.234 176.300 -0.215 0.000 0.994 416 D CA 1.954 55.825 54.000 -0.215 0.000 0.828 416 D CB -0.223 40.384 40.800 -0.322 0.000 0.963 416 D HN 0.563 nan 8.370 nan 0.000 0.450 417 Y N 0.301 120.572 120.300 -0.048 0.000 2.269 417 Y HA 0.206 4.756 4.550 0.001 0.000 0.294 417 Y C 1.734 177.624 175.900 -0.016 0.000 1.120 417 Y CA 0.727 58.808 58.100 -0.033 0.000 1.159 417 Y CB 0.275 38.702 38.460 -0.055 0.000 1.024 417 Y HN 0.085 nan 8.280 nan 0.000 0.532 418 G N -0.478 108.417 108.800 0.159 0.000 2.655 418 G HA2 -0.213 3.748 3.960 0.001 0.000 0.680 418 G HA3 -0.213 3.748 3.960 0.001 0.000 0.680 418 G C 0.310 175.267 174.900 0.094 0.000 1.302 418 G CA -0.480 44.717 45.100 0.162 0.000 0.872 418 G HN -0.022 nan 8.290 nan 0.000 0.540 419 V N 0.306 120.253 119.914 0.056 0.000 2.283 419 V HA -0.070 4.051 4.120 0.001 0.000 0.243 419 V C 2.714 178.761 176.094 -0.079 0.000 1.039 419 V CA 3.053 65.332 62.300 -0.036 0.000 1.016 419 V CB -0.887 30.883 31.823 -0.088 0.000 0.650 419 V HN 0.801 nan 8.190 nan 0.000 0.449 420 E N 1.042 121.206 120.200 -0.061 0.000 2.070 420 E HA -0.227 4.123 4.350 0.001 0.000 0.197 420 E C 2.238 178.793 176.600 -0.075 0.000 1.004 420 E CA 1.766 58.127 56.400 -0.065 0.000 0.805 420 E CB -0.650 29.026 29.700 -0.041 0.000 0.744 420 E HN 0.579 nan 8.360 nan 0.000 0.451 421 A N 0.353 123.140 122.820 -0.054 0.000 1.898 421 A HA -0.120 4.201 4.320 0.001 0.000 0.216 421 A C 2.188 179.627 177.584 -0.242 0.000 1.181 421 A CA 1.159 53.144 52.037 -0.087 0.000 0.620 421 A CB -0.530 18.487 19.000 0.029 0.000 0.819 421 A HN 0.185 nan 8.150 nan 0.000 0.442 422 L N -0.830 120.217 121.223 -0.294 0.000 2.131 422 L HA -0.074 4.266 4.340 0.001 0.000 0.206 422 L C 2.447 178.967 176.870 -0.583 0.000 1.087 422 L CA 0.486 54.966 54.840 -0.600 0.000 0.767 422 L CB -0.362 41.395 42.059 -0.504 0.000 0.917 422 L HN 0.216 nan 8.230 nan 0.000 0.441 423 V N -0.118 119.638 119.914 -0.263 0.000 2.343 423 V HA -0.330 3.791 4.120 0.001 0.000 0.247 423 V C 2.304 178.356 176.094 -0.070 0.000 1.051 423 V CA 2.103 64.327 62.300 -0.127 0.000 1.036 423 V CB -0.463 31.279 31.823 -0.134 0.000 0.654 423 V HN 0.534 nan 8.190 nan 0.000 0.451 424 D N -0.031 120.317 120.400 -0.087 0.000 2.144 424 D HA -0.148 4.492 4.640 0.001 0.000 0.199 424 D C 2.141 178.438 176.300 -0.004 0.000 0.984 424 D CA 1.595 55.593 54.000 -0.003 0.000 0.834 424 D CB 0.256 41.044 40.800 -0.021 0.000 0.955 424 D HN 0.423 nan 8.370 nan 0.000 0.465 425 A N 0.078 122.807 122.820 -0.152 0.000 1.872 425 A HA -0.103 4.217 4.320 0.001 0.000 0.214 425 A C 1.911 179.536 177.584 0.067 0.000 1.187 425 A CA 0.794 52.745 52.037 -0.143 0.000 0.614 425 A CB -0.850 17.937 19.000 -0.356 0.000 0.826 425 A HN 0.189 nan 8.150 nan 0.000 0.442 426 F N 0.850 120.891 119.950 0.151 0.000 2.407 426 F HA 0.002 4.530 4.527 0.000 0.000 0.299 426 F C 2.504 178.445 175.800 0.235 0.000 1.097 426 F CA 0.830 58.984 58.000 0.256 0.000 1.422 426 F CB -0.814 38.415 39.000 0.382 0.000 1.067 426 F HN 0.117 nan 8.300 nan 0.000 0.539 427 S N -0.655 115.254 115.700 0.348 0.000 2.496 427 S HA 0.003 4.474 4.470 0.001 0.000 0.224 427 S C 1.965 176.779 174.600 0.356 0.000 0.996 427 S CA 0.404 58.790 58.200 0.309 0.000 0.927 427 S CB 0.004 63.319 63.200 0.191 0.000 0.774 427 S HN 0.340 nan 8.310 nan 0.000 0.524 428 R N 0.556 121.207 120.500 0.250 0.000 2.237 428 R HA 0.207 4.548 4.340 0.001 0.000 0.195 428 R C 0.945 177.310 176.300 0.109 0.000 0.956 428 R CA 0.110 56.285 56.100 0.125 0.000 1.029 428 R CB 0.228 30.546 30.300 0.029 0.000 0.972 428 R HN 0.330 nan 8.270 nan 0.000 0.493 429 Q N 2.341 122.232 119.800 0.152 0.000 2.279 429 Q HA 0.208 4.549 4.340 0.001 0.000 0.256 429 Q C -2.323 173.755 176.000 0.130 0.000 0.937 429 Q CA -2.416 53.456 55.803 0.115 0.000 0.933 429 Q CB 1.285 30.095 28.738 0.120 0.000 1.189 429 Q HN -0.090 nan 8.270 nan 0.000 0.417 430 P HA 0.074 nan 4.420 nan 0.000 0.271 430 P C -1.342 176.062 177.300 0.173 0.000 1.218 430 P CA -0.024 63.159 63.100 0.139 0.000 0.780 430 P CB 1.049 32.845 31.700 0.161 0.000 0.901 431 A N 2.730 125.635 122.820 0.141 0.000 2.269 431 A HA 0.676 4.996 4.320 0.001 0.000 0.319 431 A C 0.681 178.352 177.584 0.144 0.000 1.110 431 A CA -0.357 51.763 52.037 0.138 0.000 0.847 431 A CB 0.209 19.256 19.000 0.077 0.000 1.161 431 A HN 0.571 nan 8.150 nan 0.000 0.497 432 G N -0.204 108.694 108.800 0.164 0.000 2.569 432 G HA2 0.431 4.391 3.960 0.001 0.000 0.249 432 G HA3 0.431 4.391 3.960 0.001 0.000 0.249 432 G C 0.181 174.992 174.900 -0.149 0.000 1.216 432 G CA -0.555 44.525 45.100 -0.034 0.000 0.845 432 G HN 0.847 nan 8.290 nan 0.000 0.568 433 R N 1.369 121.720 120.500 -0.248 0.000 2.401 433 R HA 0.163 4.503 4.340 0.001 0.000 0.299 433 R C 1.102 177.290 176.300 -0.186 0.000 1.064 433 R CA -0.382 55.572 56.100 -0.243 0.000 1.000 433 R CB 0.315 30.464 30.300 -0.251 0.000 0.973 433 R HN 0.556 nan 8.270 nan 0.000 0.438 434 I N 2.808 123.247 120.570 -0.218 0.000 2.193 434 I HA -0.063 4.107 4.170 0.001 0.000 0.240 434 I C 1.569 177.619 176.117 -0.111 0.000 1.084 434 I CA 1.155 62.361 61.300 -0.158 0.000 1.365 434 I CB -0.365 37.466 38.000 -0.282 0.000 1.064 434 I HN 0.696 nan 8.210 nan 0.000 0.410 435 G N -1.045 107.689 108.800 -0.109 0.000 2.588 435 G HA2 0.410 4.370 3.960 0.001 0.000 0.281 435 G HA3 0.410 4.370 3.960 0.001 0.000 0.281 435 G C 0.901 175.725 174.900 -0.127 0.000 1.236 435 G CA 0.205 45.245 45.100 -0.101 0.000 0.969 435 G HN 0.530 nan 8.290 nan 0.000 0.504 436 G N -1.758 106.963 108.800 -0.131 0.000 2.336 436 G HA2 0.299 4.259 3.960 0.001 0.000 0.233 436 G HA3 0.299 4.259 3.960 0.001 0.000 0.233 436 G C 1.417 176.257 174.900 -0.101 0.000 1.053 436 G CA 0.882 45.911 45.100 -0.118 0.000 0.625 436 G HN 2.877 nan 8.290 nan 0.000 0.511 437 G N -0.708 108.033 108.800 -0.098 0.000 2.756 437 G HA2 0.278 4.238 3.960 0.001 0.000 0.678 437 G HA3 0.278 4.238 3.960 0.001 0.000 0.678 437 G C 0.283 175.157 174.900 -0.043 0.000 1.349 437 G CA 0.523 45.584 45.100 -0.065 0.000 0.847 437 G HN 1.654 nan 8.290 nan 0.000 0.548 438 R N -1.314 119.176 120.500 -0.016 0.000 3.416 438 R HA -0.222 4.118 4.340 0.001 0.000 0.263 438 R C 0.520 176.807 176.300 -0.022 0.000 1.053 438 R CA 1.150 57.237 56.100 -0.020 0.000 0.705 438 R CB -1.345 28.935 30.300 -0.033 0.000 1.124 438 R HN 0.773 nan 8.270 nan 0.000 0.444 439 N N 0.135 118.829 118.700 -0.010 0.000 2.387 439 N HA 0.266 5.007 4.740 0.001 0.000 0.259 439 N C -0.904 174.642 175.510 0.061 0.000 1.369 439 N CA -0.199 52.851 53.050 0.001 0.000 0.867 439 N CB 0.798 39.247 38.487 -0.064 0.000 1.341 439 N HN 0.221 nan 8.380 nan 0.000 0.495 440 I N 0.393 121.005 120.570 0.070 0.000 2.339 440 I HA 0.245 4.416 4.170 0.001 0.000 0.290 440 I C 0.013 176.180 176.117 0.083 0.000 0.994 440 I CA -0.979 60.382 61.300 0.101 0.000 1.191 440 I CB 1.289 39.351 38.000 0.103 0.000 1.343 440 I HN 0.071 nan 8.210 nan 0.000 0.458 441 D N 3.761 124.213 120.400 0.086 0.000 2.443 441 D HA -0.046 4.594 4.640 0.001 0.000 0.239 441 D C 1.441 177.690 176.300 -0.085 0.000 1.136 441 D CA 0.267 54.277 54.000 0.018 0.000 0.879 441 D CB 0.724 41.510 40.800 -0.023 0.000 1.195 441 D HN 0.624 nan 8.370 nan 0.000 0.443 442 H N 1.006 120.005 119.070 -0.119 0.000 2.518 442 H HA -0.111 4.445 4.556 0.001 0.000 0.292 442 H C 1.132 176.342 175.328 -0.197 0.000 1.068 442 H CA 1.688 57.638 56.048 -0.164 0.000 1.275 442 H CB -0.284 29.351 29.762 -0.210 0.000 1.375 442 H HN 0.597 nan 8.280 nan 0.000 0.563 443 H N 0.582 119.248 119.070 -0.673 0.000 2.389 443 H HA 0.039 4.595 4.556 0.000 0.000 0.299 443 H C 1.564 176.816 175.328 -0.127 0.000 1.081 443 H CA 1.675 57.435 56.048 -0.480 0.000 1.345 443 H CB 0.184 29.396 29.762 -0.916 0.000 1.393 443 H HN 0.675 nan 8.280 nan 0.000 0.520 444 I N -1.862 118.676 120.570 -0.053 0.000 3.856 444 I HA 0.168 4.338 4.170 0.001 0.000 0.330 444 I C 0.938 176.931 176.117 -0.206 0.000 1.546 444 I CA -0.037 61.210 61.300 -0.087 0.000 1.132 444 I CB 0.390 38.409 38.000 0.032 0.000 1.157 444 I HN 0.036 nan 8.210 nan 0.000 0.440 445 L N 1.962 123.142 121.223 -0.072 0.000 2.201 445 L HA -0.123 4.217 4.340 0.001 0.000 0.212 445 L C 2.553 179.383 176.870 -0.066 0.000 1.105 445 L CA 2.098 56.913 54.840 -0.041 0.000 0.775 445 L CB -0.720 41.355 42.059 0.027 0.000 0.913 445 L HN 0.619 nan 8.230 nan 0.000 0.440 446 H N -3.383 115.678 119.070 -0.015 0.000 2.489 446 H HA -0.075 4.482 4.556 0.001 0.000 0.293 446 H C 1.768 177.066 175.328 -0.051 0.000 1.066 446 H CA 1.335 57.373 56.048 -0.016 0.000 1.305 446 H CB -1.022 28.741 29.762 0.001 0.000 1.386 446 H HN 0.185 nan 8.280 nan 0.000 0.551 447 V N 1.186 120.767 119.914 -0.554 0.000 2.307 447 V HA -0.221 3.899 4.120 0.001 0.000 0.245 447 V C 2.862 178.772 176.094 -0.307 0.000 1.045 447 V CA 1.662 63.700 62.300 -0.437 0.000 1.024 447 V CB -1.181 30.231 31.823 -0.685 0.000 0.651 447 V HN 0.755 nan 8.190 nan 0.000 0.449 448 A N -0.023 122.667 122.820 -0.216 0.000 1.972 448 A HA -0.131 4.189 4.320 0.001 0.000 0.219 448 A C 2.357 179.908 177.584 -0.055 0.000 1.169 448 A CA 1.925 53.913 52.037 -0.082 0.000 0.635 448 A CB -0.607 18.479 19.000 0.144 0.000 0.810 448 A HN 0.368 nan 8.150 nan 0.000 0.446 449 V N 0.464 120.360 119.914 -0.031 0.000 2.358 449 V HA -0.217 3.903 4.120 0.001 0.000 0.246 449 V C 2.000 178.075 176.094 -0.032 0.000 1.047 449 V CA 2.159 64.464 62.300 0.007 0.000 1.035 449 V CB -0.710 31.139 31.823 0.044 0.000 0.658 449 V HN 0.493 nan 8.190 nan 0.000 0.452 450 D N -0.052 120.307 120.400 -0.070 0.000 2.269 450 D HA -0.068 4.572 4.640 0.001 0.000 0.208 450 D C 2.153 178.353 176.300 -0.168 0.000 0.963 450 D CA 0.895 54.847 54.000 -0.080 0.000 0.864 450 D CB 0.159 40.931 40.800 -0.047 0.000 0.936 450 D HN 0.338 nan 8.370 nan 0.000 0.505 451 V N 1.253 120.975 119.914 -0.319 0.000 2.307 451 V HA -0.195 3.925 4.120 0.001 0.000 0.245 451 V C 2.509 178.432 176.094 -0.286 0.000 1.045 451 V CA 1.055 63.045 62.300 -0.517 0.000 1.024 451 V CB -0.260 30.901 31.823 -1.104 0.000 0.651 451 V HN 0.149 nan 8.190 nan 0.000 0.449 452 I N 0.582 121.064 120.570 -0.146 0.000 2.252 452 I HA -0.211 3.960 4.170 0.001 0.000 0.245 452 I C 2.887 179.016 176.117 0.020 0.000 1.102 452 I CA 1.878 63.188 61.300 0.017 0.000 1.385 452 I CB -0.676 37.386 38.000 0.105 0.000 1.064 452 I HN 0.347 nan 8.210 nan 0.000 0.414 453 K N 0.675 121.072 120.400 -0.004 0.000 2.097 453 K HA -0.204 4.116 4.320 0.001 0.000 0.206 453 K C 1.944 178.546 176.600 0.004 0.000 1.049 453 K CA 1.820 58.114 56.287 0.010 0.000 0.933 453 K CB -0.942 31.562 32.500 0.008 0.000 0.717 453 K HN 0.535 nan 8.250 nan 0.000 0.442 454 E N -0.050 120.132 120.200 -0.030 0.000 2.152 454 E HA -0.123 4.227 4.350 0.001 0.000 0.192 454 E C 2.299 178.892 176.600 -0.010 0.000 0.983 454 E CA 1.023 57.407 56.400 -0.026 0.000 0.818 454 E CB -0.051 29.608 29.700 -0.067 0.000 0.758 454 E HN 0.560 nan 8.360 nan 0.000 0.467 455 S N 0.137 115.831 115.700 -0.009 0.000 2.399 455 S HA -0.144 4.327 4.470 0.001 0.000 0.231 455 S C 1.887 176.526 174.600 0.066 0.000 1.022 455 S CA 1.152 59.372 58.200 0.034 0.000 0.983 455 S CB -0.094 63.155 63.200 0.082 0.000 0.803 455 S HN 0.253 nan 8.310 nan 0.000 0.480 456 R N -0.108 120.432 120.500 0.066 0.000 2.119 456 R HA 0.105 4.445 4.340 0.001 0.000 0.222 456 R C 2.204 178.541 176.300 0.061 0.000 1.088 456 R CA 1.103 57.248 56.100 0.075 0.000 0.984 456 R CB -0.299 30.046 30.300 0.074 0.000 0.884 456 R HN 0.305 nan 8.270 nan 0.000 0.447 457 V N 0.918 120.862 119.914 0.049 0.000 2.379 457 V HA -0.169 3.951 4.120 0.001 0.000 0.245 457 V C 1.869 177.995 176.094 0.052 0.000 1.044 457 V CA 1.313 63.642 62.300 0.050 0.000 1.036 457 V CB -0.259 31.592 31.823 0.047 0.000 0.664 457 V HN 0.174 nan 8.190 nan 0.000 0.453 458 L N -0.169 121.080 121.223 0.044 0.000 2.362 458 L HA 0.068 4.408 4.340 0.001 0.000 0.219 458 L C 1.382 178.284 176.870 0.053 0.000 1.134 458 L CA 1.075 55.940 54.840 0.040 0.000 0.807 458 L CB -1.194 40.876 42.059 0.018 0.000 0.927 458 L HN 0.416 nan 8.230 nan 0.000 0.447 459 R N -1.342 119.198 120.500 0.066 0.000 3.422 459 R HA -0.204 4.136 4.340 0.001 0.000 0.267 459 R C -0.220 176.142 176.300 0.103 0.000 1.074 459 R CA -0.117 56.033 56.100 0.083 0.000 0.718 459 R CB -2.414 27.929 30.300 0.071 0.000 1.157 459 R HN 0.079 nan 8.270 nan 0.000 0.440 460 L N 1.655 122.947 121.223 0.115 0.000 2.525 460 L HA -0.049 4.291 4.340 0.001 0.000 0.278 460 L C 1.430 178.438 176.870 0.230 0.000 1.218 460 L CA 1.244 56.187 54.840 0.173 0.000 0.878 460 L CB 0.347 42.479 42.059 0.123 0.000 1.127 460 L HN 0.164 nan 8.230 nan 0.000 0.492 461 Q N 4.426 124.374 119.800 0.247 0.000 2.492 461 Q HA 0.164 4.504 4.340 0.001 0.000 0.238 461 Q C -2.004 174.129 176.000 0.222 0.000 1.045 461 Q CA -1.615 54.230 55.803 0.070 0.000 0.934 461 Q CB 0.167 28.701 28.738 -0.340 0.000 1.276 461 Q HN 0.426 nan 8.270 nan 0.000 0.521 462 P HA -0.142 nan 4.420 nan 0.000 0.269 462 P C -0.132 177.357 177.300 0.315 0.000 1.211 462 P CA 0.273 63.474 63.100 0.169 0.000 0.781 462 P CB 0.338 32.067 31.700 0.049 0.000 0.877 463 F N 2.337 122.400 119.950 0.187 0.000 2.091 463 F HA -0.275 4.253 4.527 0.001 0.000 0.299 463 F C 1.809 177.727 175.800 0.197 0.000 1.103 463 F CA 1.938 60.075 58.000 0.228 0.000 1.228 463 F CB -0.530 38.501 39.000 0.051 0.000 0.984 463 F HN 0.251 nan 8.300 nan 0.000 0.477 464 N N 0.475 119.267 118.700 0.153 0.000 2.223 464 N HA -0.155 4.585 4.740 0.001 0.000 0.185 464 N C 1.709 177.162 175.510 -0.094 0.000 1.016 464 N CA 1.307 54.365 53.050 0.013 0.000 0.863 464 N CB -0.408 38.100 38.487 0.036 0.000 0.983 464 N HN 0.400 nan 8.380 nan 0.000 0.429 465 E N -0.107 120.010 120.200 -0.138 0.000 2.106 465 E HA -0.107 4.243 4.350 0.001 0.000 0.192 465 E C 1.655 178.088 176.600 -0.279 0.000 0.984 465 E CA 0.749 56.969 56.400 -0.300 0.000 0.806 465 E CB -0.385 28.983 29.700 -0.553 0.000 0.750 465 E HN 0.511 nan 8.360 nan 0.000 0.458 466 Y N 0.861 121.108 120.300 -0.089 0.000 2.373 466 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 466 Y C 2.430 178.343 175.900 0.021 0.000 1.129 466 Y CA 0.715 58.839 58.100 0.040 0.000 1.226 466 Y CB 0.064 38.658 38.460 0.223 0.000 1.000 466 Y HN -0.073 nan 8.280 nan 0.000 0.549 467 R N 0.626 121.092 120.500 -0.057 0.000 2.070 467 R HA -0.156 4.184 4.340 0.001 0.000 0.233 467 R C 2.004 178.279 176.300 -0.041 0.000 1.137 467 R CA 1.426 57.455 56.100 -0.119 0.000 0.945 467 R CB -0.477 29.687 30.300 -0.226 0.000 0.845 467 R HN 0.362 nan 8.270 nan 0.000 0.430 468 K N 0.070 120.415 120.400 -0.092 0.000 2.097 468 K HA -0.161 4.159 4.320 0.001 0.000 0.206 468 K C 2.136 178.670 176.600 -0.111 0.000 1.049 468 K CA 1.153 57.374 56.287 -0.111 0.000 0.933 468 K CB -0.150 32.247 32.500 -0.172 0.000 0.717 468 K HN -0.104 nan 8.250 nan 0.000 0.442 469 R N 0.512 120.924 120.500 -0.146 0.000 2.148 469 R HA -0.049 4.292 4.340 0.001 0.000 0.227 469 R C 0.654 176.702 176.300 -0.420 0.000 1.103 469 R CA 1.250 57.176 56.100 -0.289 0.000 0.983 469 R CB -0.103 29.969 30.300 -0.380 0.000 0.874 469 R HN 0.055 nan 8.270 nan 0.000 0.451 470 F N -0.314 119.622 119.950 -0.024 0.000 2.837 470 F HA 0.365 4.892 4.527 0.000 0.000 0.298 470 F C 1.116 176.904 175.800 -0.019 0.000 1.161 470 F CA 0.085 58.071 58.000 -0.024 0.000 1.353 470 F CB 0.722 39.715 39.000 -0.012 0.000 0.951 470 F HN 0.201 nan 8.300 nan 0.000 0.508 471 G N 1.196 110.040 108.800 0.074 0.000 2.246 471 G HA2 -0.306 3.654 3.960 0.001 0.000 0.273 471 G HA3 -0.306 3.654 3.960 0.001 0.000 0.273 471 G C -0.136 174.793 174.900 0.048 0.000 1.055 471 G CA 0.012 45.149 45.100 0.062 0.000 0.851 471 G HN 0.346 nan 8.290 nan 0.000 0.500 472 M N -0.563 119.047 119.600 0.017 0.000 2.591 472 M HA 0.693 5.173 4.480 0.001 0.000 0.306 472 M C 0.403 176.654 176.300 -0.081 0.000 1.190 472 M CA -0.419 54.862 55.300 -0.032 0.000 0.889 472 M CB 1.918 34.487 32.600 -0.050 0.000 1.728 472 M HN 0.290 nan 8.290 nan 0.000 0.458 473 K N 2.218 122.548 120.400 -0.116 0.000 2.322 473 K HA 0.496 4.816 4.320 0.001 0.000 0.283 473 K C -2.786 173.676 176.600 -0.229 0.000 1.042 473 K CA -1.513 54.690 56.287 -0.140 0.000 0.958 473 K CB -0.894 31.532 32.500 -0.123 0.000 0.984 473 K HN 0.431 nan 8.250 nan 0.000 0.473 474 P HA 0.081 nan 4.420 nan 0.000 0.271 474 P C -0.894 176.315 177.300 -0.152 0.000 1.216 474 P CA -0.139 62.875 63.100 -0.143 0.000 0.776 474 P CB 0.137 31.793 31.700 -0.072 0.000 0.881 475 Y N 0.599 120.893 120.300 -0.010 0.000 2.511 475 Y HA 0.002 4.553 4.550 0.001 0.000 0.332 475 Y C 2.297 178.153 175.900 -0.074 0.000 1.177 475 Y CA 0.605 58.681 58.100 -0.040 0.000 1.422 475 Y CB 0.269 38.691 38.460 -0.064 0.000 1.271 475 Y HN 0.419 nan 8.280 nan 0.000 0.550 476 T N -2.312 112.301 114.554 0.099 0.000 3.054 476 T HA 0.105 4.455 4.350 0.001 0.000 0.259 476 T C 0.420 175.129 174.700 0.015 0.000 1.092 476 T CA 0.549 62.672 62.100 0.038 0.000 1.121 476 T CB -0.081 68.809 68.868 0.035 0.000 0.912 476 T HN 0.519 nan 8.240 nan 0.000 0.489 477 S N -1.197 114.509 115.700 0.010 0.000 2.638 477 S HA 0.612 5.082 4.470 0.001 0.000 0.274 477 S C -0.106 174.422 174.600 -0.119 0.000 1.157 477 S CA -0.974 57.212 58.200 -0.023 0.000 0.826 477 S CB 0.505 63.736 63.200 0.051 0.000 1.139 477 S HN -0.032 nan 8.310 nan 0.000 0.474 478 F N 1.078 120.998 119.950 -0.050 0.000 2.325 478 F HA 0.090 4.617 4.527 0.001 0.000 0.299 478 F C 3.275 178.995 175.800 -0.133 0.000 1.090 478 F CA 1.807 59.730 58.000 -0.127 0.000 1.392 478 F CB -0.614 38.321 39.000 -0.109 0.000 1.053 478 F HN 0.826 nan 8.300 nan 0.000 0.521 479 Q N 0.491 120.350 119.800 0.099 0.000 2.167 479 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 479 Q C 1.977 177.980 176.000 0.006 0.000 0.970 479 Q CA 1.748 57.577 55.803 0.043 0.000 0.855 479 Q CB -1.022 27.747 28.738 0.051 0.000 0.911 479 Q HN 0.595 nan 8.270 nan 0.000 0.438 480 E N -0.595 119.614 120.200 0.014 0.000 2.150 480 E HA -0.101 4.250 4.350 0.001 0.000 0.193 480 E C 2.022 178.588 176.600 -0.056 0.000 0.985 480 E CA 1.096 57.536 56.400 0.067 0.000 0.814 480 E CB -0.006 29.811 29.700 0.196 0.000 0.752 480 E HN 0.559 nan 8.360 nan 0.000 0.466 481 L N 0.517 121.511 121.223 -0.382 0.000 2.023 481 L HA -0.126 4.214 4.340 0.001 0.000 0.205 481 L C 2.556 179.194 176.870 -0.387 0.000 1.073 481 L CA 2.432 56.782 54.840 -0.816 0.000 0.745 481 L CB -0.710 40.818 42.059 -0.885 0.000 0.900 481 L HN 0.196 nan 8.230 nan 0.000 0.435 482 T N -3.655 110.768 114.554 -0.219 0.000 2.809 482 T HA 0.209 4.560 4.350 0.001 0.000 0.260 482 T C 1.678 176.325 174.700 -0.089 0.000 1.039 482 T CA 0.845 62.860 62.100 -0.142 0.000 1.141 482 T CB -0.536 68.280 68.868 -0.087 0.000 0.869 482 T HN 0.701 nan 8.240 nan 0.000 0.437 483 G N 1.525 110.292 108.800 -0.054 0.000 2.194 483 G HA2 -0.172 3.788 3.960 0.001 0.000 0.236 483 G HA3 -0.172 3.788 3.960 0.001 0.000 0.236 483 G C 0.003 174.895 174.900 -0.013 0.000 0.987 483 G CA 0.433 45.519 45.100 -0.023 0.000 0.635 483 G HN 0.971 nan 8.290 nan 0.000 0.520 484 E N -1.556 118.634 120.200 -0.016 0.000 2.493 484 E HA 0.893 5.244 4.350 0.001 0.000 0.243 484 E C 0.990 177.592 176.600 0.003 0.000 0.875 484 E CA 0.224 56.620 56.400 -0.006 0.000 0.872 484 E CB 0.088 29.783 29.700 -0.009 0.000 1.476 484 E HN 0.657 nan 8.360 nan 0.000 0.394 485 K N -0.144 120.261 120.400 0.008 0.000 2.403 485 K HA 0.198 4.518 4.320 0.001 0.000 0.199 485 K C 1.798 178.408 176.600 0.016 0.000 1.199 485 K CA 0.858 57.154 56.287 0.014 0.000 0.924 485 K CB -0.772 31.736 32.500 0.013 0.000 1.137 485 K HN 0.496 nan 8.250 nan 0.000 0.510 486 E N 0.128 120.339 120.200 0.018 0.000 2.007 486 E HA -0.154 4.196 4.350 0.001 0.000 0.194 486 E C 2.608 179.242 176.600 0.057 0.000 0.999 486 E CA 2.123 58.540 56.400 0.027 0.000 0.811 486 E CB -0.310 29.401 29.700 0.018 0.000 0.762 486 E HN 0.514 nan 8.360 nan 0.000 0.450 487 M N 0.649 120.299 119.600 0.084 0.000 2.296 487 M HA 0.177 4.657 4.480 0.001 0.000 0.265 487 M C 2.427 178.720 176.300 -0.012 0.000 1.064 487 M CA 2.030 57.435 55.300 0.175 0.000 1.109 487 M CB -1.320 31.398 32.600 0.197 0.000 1.396 487 M HN 0.241 nan 8.290 nan 0.000 0.430 488 A N 0.371 123.173 122.820 -0.029 0.000 1.930 488 A HA 0.305 4.625 4.320 0.001 0.000 0.217 488 A C 2.651 180.168 177.584 -0.110 0.000 1.175 488 A CA 2.053 54.060 52.037 -0.050 0.000 0.627 488 A CB -1.063 17.960 19.000 0.037 0.000 0.815 488 A HN 1.204 nan 8.150 nan 0.000 0.443 489 A N -0.668 122.125 122.820 -0.045 0.000 1.929 489 A HA -0.084 4.236 4.320 0.001 0.000 0.216 489 A C 1.995 179.540 177.584 -0.065 0.000 1.176 489 A CA 1.547 53.561 52.037 -0.039 0.000 0.628 489 A CB -0.386 18.615 19.000 0.002 0.000 0.816 489 A HN 0.619 nan 8.150 nan 0.000 0.444 490 E N -0.285 119.903 120.200 -0.020 0.000 2.107 490 E HA -0.066 4.284 4.350 0.001 0.000 0.191 490 E C 1.838 178.406 176.600 -0.053 0.000 0.982 490 E CA 0.596 57.029 56.400 0.055 0.000 0.809 490 E CB -0.113 29.734 29.700 0.244 0.000 0.756 490 E HN 0.618 nan 8.360 nan 0.000 0.459 491 L N 0.576 121.609 121.223 -0.316 0.000 2.141 491 L HA -0.137 4.203 4.340 0.001 0.000 0.209 491 L C 2.827 179.186 176.870 -0.851 0.000 1.094 491 L CA 1.515 55.964 54.840 -0.653 0.000 0.763 491 L CB -0.471 40.974 42.059 -1.023 0.000 0.908 491 L HN 0.227 nan 8.230 nan 0.000 0.437 492 E N -0.124 119.607 120.200 -0.782 0.000 2.204 492 E HA -0.212 4.138 4.350 0.001 0.000 0.194 492 E C 1.969 178.511 176.600 -0.097 0.000 0.989 492 E CA 1.202 57.387 56.400 -0.359 0.000 0.824 492 E CB -0.314 29.338 29.700 -0.081 0.000 0.756 492 E HN 0.460 nan 8.360 nan 0.000 0.477 493 E N -0.344 119.797 120.200 -0.098 0.000 2.112 493 E HA 0.049 4.399 4.350 0.001 0.000 0.190 493 E C 2.320 178.900 176.600 -0.033 0.000 0.979 493 E CA 0.642 57.023 56.400 -0.031 0.000 0.814 493 E CB 0.011 29.704 29.700 -0.011 0.000 0.762 493 E HN 0.566 nan 8.360 nan 0.000 0.460 494 L N -0.742 120.438 121.223 -0.072 0.000 2.072 494 L HA -0.124 4.216 4.340 0.001 0.000 0.205 494 L C 2.170 178.931 176.870 -0.182 0.000 1.079 494 L CA 1.083 55.846 54.840 -0.129 0.000 0.752 494 L CB -0.283 41.678 42.059 -0.163 0.000 0.906 494 L HN 0.112 nan 8.230 nan 0.000 0.436 495 Y N -1.117 119.167 120.300 -0.027 0.000 2.479 495 Y HA 0.144 4.694 4.550 0.001 0.000 0.283 495 Y C 2.074 178.041 175.900 0.111 0.000 1.109 495 Y CA 0.659 58.806 58.100 0.078 0.000 1.239 495 Y CB 0.439 39.025 38.460 0.210 0.000 1.108 495 Y HN 0.230 nan 8.280 nan 0.000 0.548 496 G N -0.270 108.672 108.800 0.236 0.000 2.640 496 G HA2 -0.303 3.657 3.960 0.001 0.000 0.226 496 G HA3 -0.303 3.657 3.960 0.001 0.000 0.226 496 G C 0.082 175.124 174.900 0.238 0.000 1.222 496 G CA 0.495 45.705 45.100 0.184 0.000 0.729 496 G HN 0.363 nan 8.290 nan 0.000 0.516 497 D N -0.626 119.951 120.400 0.294 0.000 2.601 497 D HA 0.532 5.173 4.640 0.001 0.000 0.230 497 D C 1.092 177.511 176.300 0.200 0.000 1.106 497 D CA -0.384 53.751 54.000 0.226 0.000 0.873 497 D CB 2.062 42.944 40.800 0.136 0.000 1.515 497 D HN 0.114 nan 8.370 nan 0.000 0.468 498 I N 1.654 122.197 120.570 -0.046 0.000 2.493 498 I HA -0.131 4.040 4.170 0.001 0.000 0.254 498 I C 1.177 177.149 176.117 -0.241 0.000 1.160 498 I CA 1.318 62.328 61.300 -0.484 0.000 1.445 498 I CB 0.051 37.739 38.000 -0.519 0.000 1.086 498 I HN 0.319 nan 8.210 nan 0.000 0.433 499 D N 0.640 121.002 120.400 -0.064 0.000 2.352 499 D HA 0.101 4.741 4.640 0.001 0.000 0.232 499 D C 1.672 177.996 176.300 0.040 0.000 1.055 499 D CA 0.859 54.860 54.000 0.001 0.000 0.891 499 D CB 0.341 41.163 40.800 0.037 0.000 0.897 499 D HN 0.502 nan 8.370 nan 0.000 0.529 500 A N 0.231 123.074 122.820 0.039 0.000 2.303 500 A HA 0.126 4.446 4.320 0.001 0.000 0.217 500 A C 0.883 178.443 177.584 -0.041 0.000 1.205 500 A CA -0.335 51.768 52.037 0.111 0.000 0.875 500 A CB 0.201 19.349 19.000 0.247 0.000 0.910 500 A HN 0.168 nan 8.150 nan 0.000 0.501 501 L N 1.225 122.272 121.223 -0.293 0.000 2.453 501 L HA 0.212 4.553 4.340 0.001 0.000 0.272 501 L C 0.234 177.006 176.870 -0.163 0.000 1.182 501 L CA 0.284 54.760 54.840 -0.608 0.000 0.858 501 L CB 0.325 42.078 42.059 -0.511 0.000 1.120 501 L HN 0.376 nan 8.230 nan 0.000 0.474 502 E N 2.853 122.988 120.200 -0.107 0.000 2.342 502 E HA 0.048 4.398 4.350 0.001 0.000 0.257 502 E C 0.256 177.010 176.600 0.258 0.000 1.150 502 E CA -0.209 56.295 56.400 0.174 0.000 0.926 502 E CB 0.702 30.550 29.700 0.248 0.000 1.074 502 E HN 0.658 nan 8.360 nan 0.000 0.449 503 F N 0.881 120.961 119.950 0.215 0.000 2.051 503 F HA -0.251 4.276 4.527 0.000 0.000 0.296 503 F C 2.025 177.958 175.800 0.221 0.000 1.122 503 F CA 1.617 59.769 58.000 0.253 0.000 1.201 503 F CB -0.250 38.767 39.000 0.028 0.000 0.978 503 F HN 0.609 nan 8.300 nan 0.000 0.472 504 Y N 1.305 121.641 120.300 0.060 0.000 2.133 504 Y HA 0.016 4.566 4.550 0.001 0.000 0.287 504 Y C -0.830 174.995 175.900 -0.125 0.000 1.134 504 Y CA 1.348 59.403 58.100 -0.075 0.000 1.133 504 Y CB -1.866 36.609 38.460 0.026 0.000 0.987 504 Y HN 0.025 nan 8.280 nan 0.000 0.502 505 P HA -0.106 nan 4.420 nan 0.000 0.218 505 P C 1.633 178.692 177.300 -0.401 0.000 1.148 505 P CA 2.250 65.217 63.100 -0.222 0.000 0.822 505 P CB -0.416 31.274 31.700 -0.015 0.000 0.784 506 G N -0.406 108.079 108.800 -0.525 0.000 2.408 506 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 506 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 506 G C 1.445 175.741 174.900 -1.006 0.000 1.150 506 G CA 0.432 44.881 45.100 -1.084 0.000 0.776 506 G HN 0.233 nan 8.290 nan 0.000 0.542 507 L N -0.212 120.652 121.223 -0.599 0.000 2.156 507 L HA 0.114 4.455 4.340 0.001 0.000 0.208 507 L C 2.645 179.304 176.870 -0.351 0.000 1.095 507 L CA 0.531 55.153 54.840 -0.363 0.000 0.770 507 L CB -0.156 41.687 42.059 -0.360 0.000 0.914 507 L HN 0.176 nan 8.230 nan 0.000 0.439 508 L N -1.170 119.800 121.223 -0.422 0.000 2.354 508 L HA -0.016 4.325 4.340 0.001 0.000 0.212 508 L C 1.771 178.484 176.870 -0.262 0.000 1.091 508 L CA 0.460 55.102 54.840 -0.329 0.000 0.828 508 L CB 0.003 41.824 42.059 -0.396 0.000 0.973 508 L HN 0.242 nan 8.230 nan 0.000 0.461 509 L N -0.513 120.525 121.223 -0.309 0.000 2.628 509 L HA 0.150 4.490 4.340 0.001 0.000 0.229 509 L C 0.972 177.673 176.870 -0.282 0.000 1.137 509 L CA -0.067 54.616 54.840 -0.262 0.000 0.909 509 L CB 0.155 42.044 42.059 -0.283 0.000 1.137 509 L HN 0.192 nan 8.230 nan 0.000 0.470 510 E N 1.779 121.793 120.200 -0.310 0.000 2.392 510 E HA 0.240 4.590 4.350 0.001 0.000 0.259 510 E C 0.329 176.814 176.600 -0.192 0.000 1.108 510 E CA -0.218 56.012 56.400 -0.284 0.000 0.916 510 E CB 0.763 30.328 29.700 -0.224 0.000 0.989 510 E HN 0.103 nan 8.360 nan 0.000 0.432 511 K N 1.770 122.075 120.400 -0.158 0.000 2.368 511 K HA 0.138 4.458 4.320 0.001 0.000 0.282 511 K C 0.253 176.766 176.600 -0.145 0.000 1.035 511 K CA -0.117 56.101 56.287 -0.114 0.000 0.973 511 K CB -0.031 32.430 32.500 -0.064 0.000 0.957 511 K HN 0.634 nan 8.250 nan 0.000 0.474 512 C N 1.800 121.008 119.300 -0.155 0.000 2.664 512 C HA 0.424 4.884 4.460 0.001 0.000 0.285 512 C C 0.208 175.094 174.990 -0.174 0.000 1.386 512 C CA 0.526 59.399 59.018 -0.242 0.000 1.753 512 C CB -0.661 26.975 27.740 -0.173 0.000 2.115 512 C HN 1.070 nan 8.230 nan 0.000 0.577 513 H N -2.835 116.228 119.070 -0.010 0.000 4.111 513 H HA -0.045 4.511 4.556 0.001 0.000 0.534 513 H C -2.860 172.459 175.328 -0.016 0.000 1.696 513 H CA -0.977 55.078 56.048 0.011 0.000 1.884 513 H CB -1.781 28.015 29.762 0.056 0.000 3.242 513 H HN -0.054 nan 8.280 nan 0.000 0.546 514 P HA -0.269 nan 4.420 nan 0.000 0.221 514 P C 0.316 177.604 177.300 -0.020 0.000 1.107 514 P CA 1.887 64.989 63.100 0.004 0.000 0.986 514 P CB 0.117 31.831 31.700 0.023 0.000 0.774 515 N N -0.044 118.653 118.700 -0.005 0.000 2.527 515 N HA 0.342 5.082 4.740 0.001 0.000 0.236 515 N C -0.689 174.800 175.510 -0.036 0.000 0.999 515 N CA 0.111 53.131 53.050 -0.050 0.000 0.935 515 N CB 0.274 38.717 38.487 -0.074 0.000 1.132 515 N HN 0.145 nan 8.380 nan 0.000 0.511 516 S N 0.100 115.745 115.700 -0.092 0.000 2.715 516 S HA 0.232 4.703 4.470 0.001 0.000 0.290 516 S C 0.556 174.985 174.600 -0.286 0.000 1.008 516 S CA -0.783 57.345 58.200 -0.119 0.000 0.850 516 S CB 0.342 63.650 63.200 0.179 0.000 1.059 516 S HN 0.145 nan 8.310 nan 0.000 0.455 517 I N 0.864 121.110 120.570 -0.541 0.000 2.202 517 I HA 0.036 4.206 4.170 0.001 0.000 0.242 517 I C 0.986 176.738 176.117 -0.608 0.000 1.091 517 I CA 1.770 62.619 61.300 -0.752 0.000 1.368 517 I CB -0.644 36.588 38.000 -1.282 0.000 1.058 517 I HN 0.748 nan 8.210 nan 0.000 0.410 518 F N -1.315 118.483 119.950 -0.253 0.000 2.894 518 F HA 0.719 5.246 4.527 0.000 0.000 0.332 518 F C 0.537 176.142 175.800 -0.325 0.000 1.192 518 F CA -1.330 56.506 58.000 -0.274 0.000 0.980 518 F CB 0.082 38.905 39.000 -0.295 0.000 1.448 518 F HN -0.196 nan 8.300 nan 0.000 0.514 519 G N -0.583 108.220 108.800 0.006 0.000 2.588 519 G HA2 0.213 4.173 3.960 0.001 0.000 0.278 519 G HA3 0.213 4.173 3.960 0.001 0.000 0.278 519 G C 0.310 175.072 174.900 -0.230 0.000 1.307 519 G CA -0.141 44.825 45.100 -0.223 0.000 1.016 519 G HN 0.924 nan 8.290 nan 0.000 0.503 520 E N -0.777 119.298 120.200 -0.208 0.000 2.110 520 E HA -0.139 4.211 4.350 0.001 0.000 0.193 520 E C 2.373 178.988 176.600 0.025 0.000 0.988 520 E CA 1.433 57.831 56.400 -0.002 0.000 0.804 520 E CB -0.096 29.651 29.700 0.077 0.000 0.745 520 E HN 0.373 nan 8.360 nan 0.000 0.458 521 S N 0.322 116.038 115.700 0.026 0.000 2.428 521 S HA -0.118 4.352 4.470 0.001 0.000 0.230 521 S C 1.691 176.220 174.600 -0.118 0.000 1.014 521 S CA 0.929 59.129 58.200 0.001 0.000 0.957 521 S CB -0.152 63.128 63.200 0.133 0.000 0.784 521 S HN 0.246 nan 8.310 nan 0.000 0.499 522 M N 1.878 121.344 119.600 -0.223 0.000 2.117 522 M HA -0.024 4.456 4.480 0.001 0.000 0.262 522 M C 1.565 177.631 176.300 -0.389 0.000 1.065 522 M CA 1.444 56.460 55.300 -0.475 0.000 1.114 522 M CB -0.417 31.512 32.600 -1.120 0.000 1.361 522 M HN 0.173 nan 8.290 nan 0.000 0.408 523 I N -0.063 120.378 120.570 -0.214 0.000 2.113 523 I HA -0.250 3.920 4.170 0.001 0.000 0.238 523 I C 2.137 178.245 176.117 -0.015 0.000 1.070 523 I CA 1.470 62.764 61.300 -0.009 0.000 1.332 523 I CB -1.647 36.430 38.000 0.129 0.000 1.044 523 I HN 0.314 nan 8.210 nan 0.000 0.402 524 E N 0.375 120.561 120.200 -0.023 0.000 2.209 524 E HA -0.176 4.175 4.350 0.001 0.000 0.196 524 E C 2.171 178.657 176.600 -0.191 0.000 0.993 524 E CA 1.206 57.594 56.400 -0.020 0.000 0.819 524 E CB -0.131 29.586 29.700 0.027 0.000 0.745 524 E HN 0.576 nan 8.360 nan 0.000 0.477 525 M N -0.850 118.538 119.600 -0.354 0.000 2.429 525 M HA 0.080 4.560 4.480 0.001 0.000 0.265 525 M C 2.308 178.344 176.300 -0.440 0.000 1.120 525 M CA 1.139 55.932 55.300 -0.844 0.000 1.173 525 M CB -0.058 32.215 32.600 -0.545 0.000 1.343 525 M HN 0.070 nan 8.290 nan 0.000 0.464 526 G N 0.007 108.773 108.800 -0.057 0.000 2.408 526 G HA2 0.009 3.970 3.960 0.001 0.000 0.215 526 G HA3 0.009 3.970 3.960 0.001 0.000 0.215 526 G C 1.610 176.609 174.900 0.164 0.000 1.156 526 G CA 0.802 46.046 45.100 0.240 0.000 0.793 526 G HN 0.467 nan 8.290 nan 0.000 0.535 527 A N 1.782 124.651 122.820 0.082 0.000 1.883 527 A HA 0.041 4.362 4.320 0.001 0.000 0.217 527 A C 0.722 178.334 177.584 0.048 0.000 1.186 527 A CA 1.942 54.045 52.037 0.110 0.000 0.624 527 A CB -1.188 17.887 19.000 0.126 0.000 0.822 527 A HN 0.359 nan 8.150 nan 0.000 0.444 528 P HA -0.140 nan 4.420 nan 0.000 0.215 528 P C 1.163 178.367 177.300 -0.160 0.000 1.153 528 P CA 1.104 64.155 63.100 -0.081 0.000 0.853 528 P CB -0.207 31.444 31.700 -0.081 0.000 0.788 529 F N -0.643 119.182 119.950 -0.210 0.000 2.134 529 F HA -0.171 4.356 4.527 0.001 0.000 0.299 529 F C 2.746 178.198 175.800 -0.580 0.000 1.097 529 F CA 1.481 59.147 58.000 -0.557 0.000 1.264 529 F CB -0.821 37.433 39.000 -1.243 0.000 1.001 529 F HN -0.044 nan 8.300 nan 0.000 0.479 530 S N 0.487 116.090 115.700 -0.162 0.000 2.355 530 S HA -0.120 4.350 4.470 0.001 0.000 0.222 530 S C 1.986 176.663 174.600 0.128 0.000 1.031 530 S CA 1.039 59.306 58.200 0.111 0.000 0.993 530 S CB -0.449 62.976 63.200 0.374 0.000 0.859 530 S HN 0.307 nan 8.310 nan 0.000 0.453 531 L N 0.714 122.011 121.223 0.122 0.000 2.156 531 L HA 0.039 4.379 4.340 0.001 0.000 0.208 531 L C 2.636 179.614 176.870 0.179 0.000 1.095 531 L CA 1.175 56.105 54.840 0.151 0.000 0.770 531 L CB -0.383 41.763 42.059 0.144 0.000 0.914 531 L HN 0.261 nan 8.230 nan 0.000 0.439 532 K N 0.675 121.148 120.400 0.122 0.000 2.217 532 K HA -0.057 4.263 4.320 0.001 0.000 0.202 532 K C 1.890 178.538 176.600 0.080 0.000 1.051 532 K CA 1.227 57.578 56.287 0.106 0.000 0.952 532 K CB -0.405 32.089 32.500 -0.011 0.000 0.736 532 K HN 0.200 nan 8.250 nan 0.000 0.453 533 G N -0.049 108.769 108.800 0.030 0.000 2.408 533 G HA2 -0.102 3.858 3.960 0.001 0.000 0.215 533 G HA3 -0.102 3.858 3.960 0.001 0.000 0.215 533 G C 1.152 176.081 174.900 0.048 0.000 1.156 533 G CA 0.395 45.478 45.100 -0.029 0.000 0.793 533 G HN 0.161 nan 8.290 nan 0.000 0.535 534 L N 0.347 121.642 121.223 0.119 0.000 2.022 534 L HA 0.223 4.563 4.340 0.001 0.000 0.204 534 L C 2.634 179.626 176.870 0.203 0.000 1.076 534 L CA 0.869 55.800 54.840 0.152 0.000 0.749 534 L CB -0.931 41.219 42.059 0.151 0.000 0.903 534 L HN 0.055 nan 8.230 nan 0.000 0.439 535 L N -0.406 120.959 121.223 0.235 0.000 2.376 535 L HA 0.028 4.368 4.340 0.001 0.000 0.219 535 L C 2.160 179.304 176.870 0.456 0.000 1.133 535 L CA 1.317 56.309 54.840 0.255 0.000 0.816 535 L CB -1.733 40.337 42.059 0.018 0.000 0.933 535 L HN 0.405 nan 8.230 nan 0.000 0.449 536 G N -0.520 108.558 108.800 0.463 0.000 2.848 536 G HA2 -0.170 3.790 3.960 0.001 0.000 0.208 536 G HA3 -0.170 3.790 3.960 0.001 0.000 0.208 536 G C 0.886 175.994 174.900 0.346 0.000 1.152 536 G CA -0.236 45.109 45.100 0.409 0.000 0.789 536 G HN 0.311 nan 8.290 nan 0.000 0.531 537 N N 1.186 120.076 118.700 0.316 0.000 2.483 537 N HA 0.058 4.798 4.740 0.001 0.000 0.264 537 N C -1.099 174.576 175.510 0.275 0.000 1.197 537 N CA -1.339 51.866 53.050 0.258 0.000 0.927 537 N CB 1.993 40.629 38.487 0.248 0.000 1.065 537 N HN -0.062 nan 8.380 nan 0.000 0.461 538 P HA -0.161 nan 4.420 nan 0.000 0.219 538 P C 1.466 178.738 177.300 -0.047 0.000 1.146 538 P CA 1.172 64.203 63.100 -0.115 0.000 0.808 538 P CB -0.124 31.406 31.700 -0.283 0.000 0.779 539 I N -3.386 117.389 120.570 0.342 0.000 2.756 539 I HA -0.096 4.074 4.170 0.001 0.000 0.262 539 I C 1.499 177.984 176.117 0.614 0.000 1.225 539 I CA 1.291 62.953 61.300 0.604 0.000 1.472 539 I CB -1.110 37.306 38.000 0.693 0.000 1.094 539 I HN -0.169 nan 8.210 nan 0.000 0.454 540 C N 1.454 120.968 119.300 0.357 0.000 2.697 540 C HA 0.227 4.687 4.460 0.001 0.000 0.267 540 C C 1.666 176.676 174.990 0.034 0.000 1.278 540 C CA 0.137 59.279 59.018 0.207 0.000 1.708 540 C CB -1.885 26.018 27.740 0.273 0.000 1.860 540 C HN 0.694 nan 8.230 nan 0.000 0.589 541 S N 1.582 117.086 115.700 -0.327 0.000 2.601 541 S HA 0.258 4.728 4.470 0.001 0.000 0.271 541 S C -1.716 172.770 174.600 -0.189 0.000 1.305 541 S CA -0.686 57.009 58.200 -0.842 0.000 1.022 541 S CB 0.912 63.523 63.200 -0.981 0.000 0.940 541 S HN 0.033 nan 8.310 nan 0.000 0.525 542 P HA -0.143 nan 4.420 nan 0.000 0.216 542 P C 1.345 178.569 177.300 -0.126 0.000 1.150 542 P CA 1.317 64.103 63.100 -0.523 0.000 0.843 542 P CB 0.083 31.370 31.700 -0.688 0.000 0.787 543 E N -1.529 118.630 120.200 -0.068 0.000 2.106 543 E HA -0.167 4.184 4.350 0.001 0.000 0.192 543 E C 1.784 178.525 176.600 0.235 0.000 0.984 543 E CA 1.458 57.901 56.400 0.073 0.000 0.806 543 E CB -0.727 29.028 29.700 0.091 0.000 0.750 543 E HN 0.374 nan 8.360 nan 0.000 0.458 544 Y N -1.896 118.399 120.300 -0.009 0.000 2.389 544 Y HA 0.014 4.564 4.550 0.001 0.000 0.292 544 Y C 0.962 176.929 175.900 0.111 0.000 1.117 544 Y CA -0.384 57.724 58.100 0.012 0.000 1.195 544 Y CB 0.083 38.572 38.460 0.049 0.000 1.076 544 Y HN 0.120 nan 8.280 nan 0.000 0.548 545 W N 4.337 125.783 121.300 0.243 0.000 1.319 545 W HA 0.129 4.789 4.660 0.001 0.000 0.506 545 W C -0.846 175.801 176.519 0.212 0.000 0.626 545 W CA 0.571 58.130 57.345 0.358 0.000 2.268 545 W CB -0.577 29.180 29.460 0.495 0.000 1.536 545 W HN 0.074 nan 8.180 nan 0.000 0.199 546 K N 0.547 120.796 120.400 -0.251 0.000 2.395 546 K HA 0.510 4.830 4.320 0.001 0.000 0.245 546 K C 0.736 176.743 176.600 -0.988 0.000 1.017 546 K CA -0.383 55.627 56.287 -0.462 0.000 0.852 546 K CB 1.608 33.969 32.500 -0.231 0.000 1.311 546 K HN -0.032 nan 8.250 nan 0.000 0.452 547 A N 0.402 122.736 122.820 -0.810 0.000 1.929 547 A HA -0.131 4.190 4.320 0.001 0.000 0.216 547 A C 1.956 179.377 177.584 -0.273 0.000 1.176 547 A CA 1.943 53.592 52.037 -0.646 0.000 0.628 547 A CB -0.809 18.083 19.000 -0.181 0.000 0.816 547 A HN 0.739 nan 8.150 nan 0.000 0.444 548 S N -0.451 115.120 115.700 -0.215 0.000 2.400 548 S HA -0.165 4.305 4.470 0.001 0.000 0.232 548 S C 1.754 176.239 174.600 -0.191 0.000 1.025 548 S CA 1.952 60.078 58.200 -0.124 0.000 0.993 548 S CB -1.262 61.876 63.200 -0.103 0.000 0.808 548 S HN 0.477 nan 8.310 nan 0.000 0.478 549 T N 1.253 115.577 114.554 -0.383 0.000 2.881 549 T HA 0.065 4.415 4.350 0.001 0.000 0.270 549 T C 0.661 174.961 174.700 -0.666 0.000 1.068 549 T CA 1.172 62.902 62.100 -0.616 0.000 1.131 549 T CB -0.461 67.872 68.868 -0.892 0.000 0.871 549 T HN 0.601 nan 8.240 nan 0.000 0.479 550 F N 0.412 120.282 119.950 -0.134 0.000 2.639 550 F HA 0.456 4.983 4.527 0.000 0.000 0.302 550 F C 1.477 177.319 175.800 0.070 0.000 1.097 550 F CA -0.595 57.396 58.000 -0.015 0.000 1.294 550 F CB 0.115 39.113 39.000 -0.004 0.000 1.027 550 F HN 0.159 nan 8.300 nan 0.000 0.550 551 G N 0.938 109.855 108.800 0.194 0.000 2.368 551 G HA2 0.188 4.148 3.960 0.001 0.000 0.290 551 G HA3 0.188 4.148 3.960 0.001 0.000 0.290 551 G C 0.597 175.636 174.900 0.230 0.000 1.098 551 G CA 0.076 45.332 45.100 0.260 0.000 1.073 551 G HN 1.154 nan 8.290 nan 0.000 0.511 552 G N -0.526 108.359 108.800 0.141 0.000 2.660 552 G HA2 0.010 3.970 3.960 0.001 0.000 0.215 552 G HA3 0.010 3.970 3.960 0.001 0.000 0.215 552 G C 0.603 175.578 174.900 0.124 0.000 1.345 552 G CA 0.559 45.721 45.100 0.103 0.000 0.877 552 G HN 0.675 nan 8.290 nan 0.000 0.549 553 E N -0.547 119.722 120.200 0.114 0.000 2.158 553 E HA 0.001 4.351 4.350 0.001 0.000 0.191 553 E C 2.908 179.585 176.600 0.129 0.000 0.982 553 E CA 1.247 57.740 56.400 0.156 0.000 0.823 553 E CB -0.222 29.539 29.700 0.102 0.000 0.766 553 E HN 0.410 nan 8.360 nan 0.000 0.468 554 V N 0.942 120.904 119.914 0.080 0.000 2.332 554 V HA -0.204 3.917 4.120 0.001 0.000 0.248 554 V C 2.385 178.532 176.094 0.087 0.000 1.055 554 V CA 2.114 64.447 62.300 0.055 0.000 1.038 554 V CB -0.951 30.880 31.823 0.013 0.000 0.651 554 V HN 0.325 nan 8.190 nan 0.000 0.450 555 G N -1.609 107.275 108.800 0.140 0.000 2.448 555 G HA2 -0.209 3.751 3.960 0.001 0.000 0.218 555 G HA3 -0.209 3.751 3.960 0.001 0.000 0.218 555 G C 1.478 176.484 174.900 0.175 0.000 1.135 555 G CA 0.326 45.537 45.100 0.185 0.000 0.784 555 G HN 0.415 nan 8.290 nan 0.000 0.543 556 F N 2.042 121.970 119.950 -0.038 0.000 2.206 556 F HA 0.080 4.608 4.527 0.001 0.000 0.298 556 F C 2.200 177.888 175.800 -0.186 0.000 1.090 556 F CA 0.460 58.331 58.000 -0.215 0.000 1.323 556 F CB -0.212 38.707 39.000 -0.135 0.000 1.028 556 F HN 0.062 nan 8.300 nan 0.000 0.492 557 N N 0.440 119.147 118.700 0.011 0.000 2.270 557 N HA -0.090 4.650 4.740 0.001 0.000 0.181 557 N C 2.148 177.641 175.510 -0.028 0.000 1.016 557 N CA 0.810 53.825 53.050 -0.059 0.000 0.870 557 N CB -0.486 37.988 38.487 -0.021 0.000 0.979 557 N HN 0.307 nan 8.380 nan 0.000 0.431 558 L N 0.482 121.710 121.223 0.008 0.000 2.127 558 L HA -0.125 4.215 4.340 0.001 0.000 0.211 558 L C 2.133 179.029 176.870 0.044 0.000 1.089 558 L CA 0.712 55.570 54.840 0.030 0.000 0.757 558 L CB -0.288 41.804 42.059 0.055 0.000 0.899 558 L HN -0.023 nan 8.230 nan 0.000 0.434 559 V N -0.274 119.644 119.914 0.006 0.000 2.283 559 V HA -0.244 3.876 4.120 0.001 0.000 0.243 559 V C 2.339 178.506 176.094 0.122 0.000 1.039 559 V CA 1.657 63.994 62.300 0.062 0.000 1.016 559 V CB -0.390 31.391 31.823 -0.070 0.000 0.650 559 V HN 0.388 nan 8.190 nan 0.000 0.449 560 K N 0.331 120.734 120.400 0.005 0.000 2.283 560 K HA -0.092 4.229 4.320 0.001 0.000 0.202 560 K C 1.591 178.217 176.600 0.042 0.000 1.048 560 K CA 1.698 57.992 56.287 0.011 0.000 0.948 560 K CB -0.182 32.220 32.500 -0.162 0.000 0.742 560 K HN 0.685 nan 8.250 nan 0.000 0.458 561 T N -2.463 112.110 114.554 0.032 0.000 3.182 561 T HA 0.405 4.755 4.350 0.001 0.000 0.277 561 T C 0.272 174.999 174.700 0.045 0.000 1.013 561 T CA -0.613 61.506 62.100 0.031 0.000 0.900 561 T CB 0.470 69.341 68.868 0.006 0.000 1.098 561 T HN 0.046 nan 8.240 nan 0.000 0.543 562 A N 1.454 124.321 122.820 0.077 0.000 2.462 562 A HA 0.585 4.905 4.320 0.001 0.000 0.243 562 A C 0.336 177.962 177.584 0.070 0.000 1.076 562 A CA -0.017 52.069 52.037 0.081 0.000 0.773 562 A CB 0.031 19.111 19.000 0.134 0.000 1.010 562 A HN 0.469 nan 8.150 nan 0.000 0.493 563 T N 2.142 116.715 114.554 0.031 0.000 2.868 563 T HA 0.325 4.675 4.350 0.001 0.000 0.306 563 T C 1.187 175.862 174.700 -0.043 0.000 1.224 563 T CA -0.676 61.427 62.100 0.005 0.000 1.012 563 T CB 1.291 70.149 68.868 -0.018 0.000 1.221 563 T HN 0.537 nan 8.240 nan 0.000 0.499 564 L N 1.477 122.648 121.223 -0.086 0.000 2.042 564 L HA -0.109 4.231 4.340 0.001 0.000 0.210 564 L C 2.609 179.361 176.870 -0.198 0.000 1.076 564 L CA 1.819 56.550 54.840 -0.183 0.000 0.749 564 L CB -0.254 41.542 42.059 -0.439 0.000 0.893 564 L HN 0.711 nan 8.230 nan 0.000 0.432 565 K N 0.202 120.489 120.400 -0.188 0.000 2.026 565 K HA -0.230 4.090 4.320 0.001 0.000 0.208 565 K C 2.068 178.587 176.600 -0.136 0.000 1.048 565 K CA 1.551 57.735 56.287 -0.171 0.000 0.929 565 K CB -0.008 32.403 32.500 -0.149 0.000 0.713 565 K HN 0.241 nan 8.250 nan 0.000 0.439 566 K N 0.469 120.805 120.400 -0.107 0.000 2.283 566 K HA -0.115 4.205 4.320 0.001 0.000 0.202 566 K C 2.014 178.541 176.600 -0.120 0.000 1.048 566 K CA 0.688 56.920 56.287 -0.091 0.000 0.948 566 K CB -0.040 32.426 32.500 -0.057 0.000 0.742 566 K HN 0.113 nan 8.250 nan 0.000 0.458 567 L N 0.280 121.408 121.223 -0.159 0.000 2.109 567 L HA -0.123 4.217 4.340 0.001 0.000 0.207 567 L C 1.783 178.499 176.870 -0.255 0.000 1.086 567 L CA 1.301 55.990 54.840 -0.251 0.000 0.760 567 L CB 0.098 41.953 42.059 -0.341 0.000 0.910 567 L HN -0.121 nan 8.230 nan 0.000 0.437 568 V N -2.018 117.769 119.914 -0.212 0.000 2.326 568 V HA -0.189 3.931 4.120 0.001 0.000 0.238 568 V C 2.364 178.362 176.094 -0.159 0.000 1.038 568 V CA 1.483 63.662 62.300 -0.201 0.000 1.032 568 V CB -0.293 31.412 31.823 -0.198 0.000 0.675 568 V HN 0.494 nan 8.190 nan 0.000 0.467 569 c N 0.048 118.566 118.600 -0.136 0.000 2.432 569 c HA -0.018 4.552 4.570 0.001 0.000 0.280 569 c C 2.517 176.550 174.090 -0.095 0.000 1.353 569 c CA 0.295 56.560 56.329 -0.107 0.000 1.766 569 c CB -1.076 41.378 42.510 -0.093 0.000 1.924 569 c HN 0.463 nan 8.230 nan 0.000 0.509 570 L N 1.263 122.427 121.223 -0.098 0.000 2.376 570 L HA 0.029 4.370 4.340 0.001 0.000 0.219 570 L C 1.776 178.590 176.870 -0.094 0.000 1.133 570 L CA 1.575 56.364 54.840 -0.085 0.000 0.816 570 L CB -0.615 41.398 42.059 -0.076 0.000 0.933 570 L HN 0.380 nan 8.230 nan 0.000 0.449 571 N N -1.302 117.327 118.700 -0.117 0.000 2.230 571 N HA 0.088 4.828 4.740 0.001 0.000 0.202 571 N C 0.370 175.799 175.510 -0.134 0.000 1.119 571 N CA 0.408 53.381 53.050 -0.129 0.000 0.851 571 N CB 0.545 38.941 38.487 -0.151 0.000 0.990 571 N HN 0.364 nan 8.380 nan 0.000 0.497 572 T N -4.163 110.321 114.554 -0.118 0.000 2.926 572 T HA 0.557 4.907 4.350 0.001 0.000 0.289 572 T C 1.238 175.888 174.700 -0.083 0.000 1.054 572 T CA -0.544 61.492 62.100 -0.108 0.000 1.015 572 T CB 1.914 70.719 68.868 -0.104 0.000 1.167 572 T HN -0.033 nan 8.240 nan 0.000 0.526 573 K N 0.409 120.766 120.400 -0.071 0.000 2.062 573 K HA 0.266 4.586 4.320 0.001 0.000 0.205 573 K C 1.430 178.003 176.600 -0.045 0.000 1.051 573 K CA 1.535 57.790 56.287 -0.053 0.000 0.941 573 K CB -1.135 31.339 32.500 -0.043 0.000 0.719 573 K HN 1.105 nan 8.250 nan 0.000 0.440 574 T N -3.785 110.743 114.554 -0.044 0.000 2.924 574 T HA 0.460 4.810 4.350 0.001 0.000 0.291 574 T C -0.395 174.277 174.700 -0.046 0.000 1.045 574 T CA -0.674 61.404 62.100 -0.037 0.000 1.015 574 T CB 1.433 70.286 68.868 -0.025 0.000 1.103 574 T HN 0.284 nan 8.240 nan 0.000 0.496 575 c N 4.563 123.139 118.600 -0.040 0.000 2.251 575 c HA 0.709 5.280 4.570 0.001 0.000 0.323 575 c C -1.844 172.226 174.090 -0.033 0.000 1.241 575 c CA -1.280 55.020 56.329 -0.049 0.000 1.601 575 c CB -0.606 41.875 42.510 -0.049 0.000 2.251 575 c HN 0.882 nan 8.230 nan 0.000 0.488 576 P HA 0.209 nan 4.420 nan 0.000 0.297 576 P C -1.298 176.010 177.300 0.013 0.000 1.307 576 P CA -0.520 62.575 63.100 -0.008 0.000 0.773 576 P CB 0.415 32.099 31.700 -0.027 0.000 1.265 577 Y N 0.466 120.727 120.300 -0.065 0.000 2.537 577 Y HA 0.332 4.882 4.550 0.000 0.000 0.339 577 Y C -0.420 175.429 175.900 -0.085 0.000 1.066 577 Y CA 0.004 58.063 58.100 -0.069 0.000 1.357 577 Y CB -0.037 38.390 38.460 -0.055 0.000 1.175 577 Y HN 0.111 nan 8.280 nan 0.000 0.525 578 V N 6.908 126.449 119.914 -0.621 0.000 2.482 578 V HA 0.765 4.885 4.120 0.001 0.000 0.295 578 V C -1.168 174.489 176.094 -0.729 0.000 1.026 578 V CA 0.168 62.147 62.300 -0.535 0.000 0.856 578 V CB 1.363 32.993 31.823 -0.321 0.000 1.001 578 V HN 0.850 nan 8.190 nan 0.000 0.424 579 S N 4.444 119.734 115.700 -0.685 0.000 2.595 579 S HA 0.521 4.991 4.470 0.001 0.000 0.270 579 S C -0.370 173.997 174.600 -0.388 0.000 1.145 579 S CA -0.422 57.386 58.200 -0.653 0.000 0.825 579 S CB 1.413 64.074 63.200 -0.898 0.000 1.107 579 S HN 0.609 nan 8.310 nan 0.000 0.461 580 F N 1.439 121.348 119.950 -0.067 0.000 2.765 580 F HA 0.248 4.775 4.527 0.000 0.000 0.302 580 F C 0.907 176.791 175.800 0.139 0.000 1.111 580 F CA -0.042 58.050 58.000 0.153 0.000 1.359 580 F CB 0.208 39.376 39.000 0.279 0.000 1.097 580 F HN 0.652 nan 8.300 nan 0.000 0.577 581 H N -2.501 116.699 119.070 0.216 0.000 2.821 581 H HA 0.556 5.112 4.556 0.001 0.000 0.373 581 H C -0.529 174.940 175.328 0.234 0.000 1.165 581 H CA -1.716 54.426 56.048 0.157 0.000 1.154 581 H CB 0.513 30.328 29.762 0.090 0.000 1.765 581 H HN -0.160 nan 8.280 nan 0.000 0.549 582 V N -1.072 119.021 119.914 0.297 0.000 3.096 582 V HA 0.349 4.469 4.120 0.001 0.000 0.306 582 V C -2.311 173.925 176.094 0.237 0.000 1.088 582 V CA -1.683 60.757 62.300 0.233 0.000 1.129 582 V CB -0.213 31.689 31.823 0.132 0.000 1.014 582 V HN 0.743 nan 8.190 nan 0.000 0.486 583 P HA 0.238 nan 4.420 nan 0.000 0.272 583 P C -0.438 176.865 177.300 0.005 0.000 1.223 583 P CA -0.078 62.975 63.100 -0.078 0.000 0.784 583 P CB 0.368 31.845 31.700 -0.373 0.000 0.923 584 D N 0.000 120.414 120.400 0.023 0.000 6.856 584 D HA 0.000 4.640 4.640 0.001 0.000 0.175 584 D CA 0.000 54.008 54.000 0.014 0.000 0.868 584 D CB 0.000 40.809 40.800 0.015 0.000 0.688 584 D HN 0.000 nan 8.370 nan 0.000 0.683