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 1wiy_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKRLSLXXXX XXXXXXXXDP LAVLLEWGRA HPRLFLPXXX XPLALIFDPE DATA SEQUENCE GVEGALLAEG TTKATFQYRA LSRLTGRGLL TDWGKSWKEA RKALKDPFLP DATA SEQUENCE KSVRGYREAM EEEAWAFFGE WRGEERDLDH EMLALSLRLL GRALFGKPLS DATA SEQUENCE PSLAEHALKA LDRIMXXXXX XXXXXXLAAE ARFRKDRGAL YREAEALIVH DATA SEQUENCE PPLSHLPRER ALSEAVTLLV AGHETVASAL TWSFLLLSHR PDWQKRVAES DATA SEQUENCE EEAALAAFQE ALRLYPPAWI LTRRLERPLL LGEDRLPQGT TLVLSPYVTQ DATA SEQUENCE RLYFPEGEAF QPERFLAERG TPSGRYFPFG LGQRLCLGRD FALLEGPIVL DATA SEQUENCE RAFFRRFRLD PLPFPRVLAQ VTLRPEGGLP ARPRE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.310 176.300 0.016 0.000 1.140 1 M CA 0.000 55.306 55.300 0.010 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 K N 1.830 122.231 120.400 0.002 0.000 2.436 2 K HA 0.275 4.517 4.320 -0.131 0.000 0.282 2 K C -1.113 175.487 176.600 0.000 0.000 1.044 2 K CA 0.627 56.868 56.287 -0.076 0.000 1.028 2 K CB 0.423 32.704 32.500 -0.366 0.000 0.919 2 K HN 0.625 nan 8.250 nan 0.000 0.474 3 R N 4.013 124.531 120.500 0.030 0.000 2.265 3 R HA 0.349 4.611 4.340 -0.131 0.000 0.319 3 R C -0.864 175.445 176.300 0.015 0.000 1.006 3 R CA -1.054 55.100 56.100 0.090 0.000 0.880 3 R CB 0.805 31.183 30.300 0.130 0.000 1.077 3 R HN 0.421 nan 8.270 nan 0.000 0.454 4 L N 2.680 123.883 121.223 -0.034 0.000 2.282 4 L HA 0.287 4.548 4.340 -0.131 0.000 0.288 4 L C -0.041 176.780 176.870 -0.082 0.000 1.033 4 L CA -0.033 54.767 54.840 -0.067 0.000 0.807 4 L CB 1.706 43.675 42.059 -0.150 0.000 1.209 4 L HN 0.713 nan 8.230 nan 0.000 0.423 5 S N 4.702 120.375 115.700 -0.046 0.000 2.585 5 S HA 0.357 4.749 4.470 -0.131 0.000 0.273 5 S C 0.322 174.879 174.600 -0.071 0.000 1.339 5 S CA -0.744 57.427 58.200 -0.048 0.000 1.028 5 S CB 0.716 63.906 63.200 -0.017 0.000 0.906 5 S HN 0.777 nan 8.310 nan 0.000 0.528 20 P HA -0.147 nan 4.420 nan 0.000 0.216 20 P C 1.936 179.238 177.300 0.004 0.000 1.153 20 P CA 0.588 63.710 63.100 0.037 0.000 0.858 20 P CB 0.530 32.318 31.700 0.147 0.000 0.789 21 L N -0.321 120.779 121.223 -0.205 0.000 2.012 21 L HA -0.189 4.072 4.340 -0.131 0.000 0.210 21 L C 2.875 179.719 176.870 -0.042 0.000 1.073 21 L CA 1.904 56.590 54.840 -0.258 0.000 0.748 21 L CB -1.401 40.281 42.059 -0.629 0.000 0.891 21 L HN -0.036 nan 8.230 nan 0.000 0.431 22 A N -0.412 122.384 122.820 -0.040 0.000 1.933 22 A HA -0.121 4.120 4.320 -0.131 0.000 0.218 22 A C 2.323 179.952 177.584 0.076 0.000 1.175 22 A CA 1.734 53.783 52.037 0.020 0.000 0.628 22 A CB -0.740 18.260 19.000 0.000 0.000 0.814 22 A HN 0.212 nan 8.150 nan 0.000 0.444 23 V N 0.059 120.040 119.914 0.111 0.000 2.307 23 V HA -0.227 3.815 4.120 -0.131 0.000 0.245 23 V C 2.550 178.822 176.094 0.296 0.000 1.045 23 V CA 1.830 64.265 62.300 0.225 0.000 1.024 23 V CB -0.830 31.110 31.823 0.195 0.000 0.651 23 V HN 0.558 nan 8.190 nan 0.000 0.449 24 L N -0.744 120.614 121.223 0.225 0.000 2.042 24 L HA -0.207 4.054 4.340 -0.131 0.000 0.210 24 L C 2.462 179.340 176.870 0.013 0.000 1.076 24 L CA 1.330 56.308 54.840 0.231 0.000 0.749 24 L CB -0.577 41.653 42.059 0.285 0.000 0.893 24 L HN 0.333 nan 8.230 nan 0.000 0.432 25 L N 0.366 121.609 121.223 0.033 0.000 2.027 25 L HA -0.218 4.044 4.340 -0.131 0.000 0.206 25 L C 2.665 179.490 176.870 -0.075 0.000 1.074 25 L CA 1.964 56.766 54.840 -0.063 0.000 0.745 25 L CB -0.580 41.498 42.059 0.032 0.000 0.898 25 L HN 0.413 nan 8.230 nan 0.000 0.433 26 E N -1.746 118.450 120.200 -0.007 0.000 2.077 26 E HA -0.293 3.979 4.350 -0.131 0.000 0.193 26 E C 2.059 178.587 176.600 -0.120 0.000 0.989 26 E CA 1.783 58.134 56.400 -0.083 0.000 0.800 26 E CB -1.003 28.643 29.700 -0.090 0.000 0.746 26 E HN 0.578 nan 8.360 nan 0.000 0.452 27 W N 1.501 122.805 121.300 0.005 0.000 2.436 27 W HA 0.184 4.764 4.660 -0.132 0.000 0.284 27 W C 2.569 179.147 176.519 0.098 0.000 1.225 27 W CA 1.149 58.550 57.345 0.095 0.000 1.271 27 W CB -0.395 29.186 29.460 0.201 0.000 1.114 27 W HN 0.252 nan 8.180 nan 0.000 0.559 28 G N 0.229 109.076 108.800 0.078 0.000 2.408 28 G HA2 -0.221 3.661 3.960 -0.131 0.000 0.217 28 G HA3 -0.221 3.661 3.960 -0.131 0.000 0.217 28 G C 1.557 176.446 174.900 -0.017 0.000 1.150 28 G CA 0.629 45.654 45.100 -0.126 0.000 0.776 28 G HN 0.185 nan 8.290 nan 0.000 0.542 29 R N 0.309 120.746 120.500 -0.105 0.000 2.092 29 R HA 0.087 4.349 4.340 -0.131 0.000 0.231 29 R C 2.914 179.129 176.300 -0.142 0.000 1.119 29 R CA 1.100 57.119 56.100 -0.136 0.000 0.970 29 R CB -0.203 29.998 30.300 -0.164 0.000 0.864 29 R HN 0.363 nan 8.270 nan 0.000 0.440 30 A N 0.386 123.090 122.820 -0.194 0.000 1.935 30 A HA -0.008 4.234 4.320 -0.131 0.000 0.214 30 A C 0.301 177.571 177.584 -0.524 0.000 1.178 30 A CA 0.776 52.564 52.037 -0.415 0.000 0.640 30 A CB 0.157 18.797 19.000 -0.599 0.000 0.825 30 A HN 0.206 nan 8.150 nan 0.000 0.447 31 H N -1.475 117.711 119.070 0.194 0.000 3.108 31 H HA 0.224 4.702 4.556 -0.131 0.000 0.329 31 H C -2.257 173.280 175.328 0.348 0.000 0.978 31 H CA -1.566 54.634 56.048 0.253 0.000 1.413 31 H CB 1.468 31.415 29.762 0.308 0.000 1.670 31 H HN 0.146 nan 8.280 nan 0.000 0.512 32 P HA -0.102 nan 4.420 nan 0.000 0.222 32 P C -0.015 177.503 177.300 0.365 0.000 1.147 32 P CA 0.843 64.210 63.100 0.446 0.000 0.790 32 P CB 0.963 32.871 31.700 0.347 0.000 0.780 33 R N -0.684 119.981 120.500 0.275 0.000 2.564 33 R HA 0.621 4.883 4.340 -0.131 0.000 0.284 33 R C -1.348 175.041 176.300 0.149 0.000 1.031 33 R CA -0.866 55.310 56.100 0.126 0.000 0.904 33 R CB 1.987 32.328 30.300 0.068 0.000 1.199 33 R HN -0.074 nan 8.270 nan 0.000 0.443 34 L N 3.224 124.499 121.223 0.088 0.000 2.410 34 L HA 0.535 4.796 4.340 -0.131 0.000 0.270 34 L C -1.721 175.206 176.870 0.095 0.000 0.983 34 L CA -0.609 54.285 54.840 0.090 0.000 0.822 34 L CB 1.732 43.854 42.059 0.105 0.000 1.285 34 L HN 0.559 nan 8.230 nan 0.000 0.409 35 F N 5.773 125.682 119.950 -0.069 0.000 2.449 35 F HA 0.657 5.105 4.527 -0.132 0.000 0.342 35 F C -1.369 174.383 175.800 -0.080 0.000 1.127 35 F CA -0.776 57.181 58.000 -0.072 0.000 0.975 35 F CB 1.206 40.170 39.000 -0.059 0.000 1.146 35 F HN 0.255 nan 8.300 nan 0.000 0.444 36 L N 9.109 129.930 121.223 -0.670 0.000 2.283 36 L HA 0.456 4.718 4.340 -0.131 0.000 0.281 36 L C -1.988 174.371 176.870 -0.851 0.000 1.033 36 L CA -1.919 52.575 54.840 -0.576 0.000 0.848 36 L CB 0.447 42.286 42.059 -0.366 0.000 1.226 36 L HN 0.444 nan 8.230 nan 0.000 0.429 43 L N 0.515 121.584 121.223 -0.256 0.000 2.381 43 L HA 0.814 5.076 4.340 -0.131 0.000 0.268 43 L C -0.337 176.463 176.870 -0.116 0.000 0.997 43 L CA -0.499 54.260 54.840 -0.135 0.000 0.818 43 L CB 1.800 43.779 42.059 -0.132 0.000 1.310 43 L HN 0.900 nan 8.230 nan 0.000 0.416 44 A N 4.398 127.226 122.820 0.013 0.000 2.374 44 A HA 0.759 5.000 4.320 -0.131 0.000 0.305 44 A C -1.134 176.417 177.584 -0.055 0.000 1.053 44 A CA -0.483 51.593 52.037 0.066 0.000 0.726 44 A CB 1.355 20.465 19.000 0.183 0.000 1.229 44 A HN 0.620 nan 8.150 nan 0.000 0.431 45 L N 3.622 124.768 121.223 -0.127 0.000 2.272 45 L HA 0.492 4.754 4.340 -0.131 0.000 0.289 45 L C -0.814 175.754 176.870 -0.503 0.000 1.032 45 L CA -0.531 54.093 54.840 -0.360 0.000 0.810 45 L CB 1.135 42.978 42.059 -0.361 0.000 1.205 45 L HN 0.482 nan 8.230 nan 0.000 0.422 46 I N 3.675 123.914 120.570 -0.552 0.000 2.411 46 I HA 0.203 4.294 4.170 -0.131 0.000 0.284 46 I C -0.030 175.887 176.117 -0.333 0.000 1.012 46 I CA 0.024 61.113 61.300 -0.352 0.000 1.119 46 I CB 1.263 39.161 38.000 -0.170 0.000 1.261 46 I HN 0.602 nan 8.210 nan 0.000 0.448 47 F N 2.593 122.632 119.950 0.148 0.000 2.712 47 F HA 0.067 4.516 4.527 -0.131 0.000 0.297 47 F C 1.234 177.113 175.800 0.131 0.000 1.114 47 F CA -0.660 57.468 58.000 0.214 0.000 1.305 47 F CB 0.463 39.642 39.000 0.298 0.000 1.086 47 F HN 0.397 nan 8.300 nan 0.000 0.599 48 D N 1.708 122.187 120.400 0.131 0.000 2.345 48 D HA 0.045 4.607 4.640 -0.131 0.000 0.247 48 D C -2.266 173.832 176.300 -0.336 0.000 1.108 48 D CA -1.525 52.296 54.000 -0.298 0.000 0.894 48 D CB 1.453 42.176 40.800 -0.128 0.000 1.203 48 D HN -0.015 nan 8.370 nan 0.000 0.430 49 P HA -0.195 nan 4.420 nan 0.000 0.215 49 P C 0.992 178.164 177.300 -0.213 0.000 1.157 49 P CA 1.549 64.469 63.100 -0.300 0.000 0.874 49 P CB 0.221 31.742 31.700 -0.298 0.000 0.790 50 E N -0.816 119.272 120.200 -0.186 0.000 2.118 50 E HA -0.119 4.153 4.350 -0.131 0.000 0.195 50 E C 2.263 178.788 176.600 -0.126 0.000 0.992 50 E CA 1.638 57.960 56.400 -0.129 0.000 0.804 50 E CB -1.440 28.201 29.700 -0.098 0.000 0.741 50 E HN 0.259 nan 8.360 nan 0.000 0.458 51 G N 0.233 108.955 108.800 -0.130 0.000 2.402 51 G HA2 -0.202 3.679 3.960 -0.131 0.000 0.216 51 G HA3 -0.202 3.679 3.960 -0.131 0.000 0.216 51 G C 1.749 176.557 174.900 -0.154 0.000 1.162 51 G CA 0.736 45.765 45.100 -0.118 0.000 0.777 51 G HN 0.188 nan 8.290 nan 0.000 0.539 52 V N 0.684 120.476 119.914 -0.203 0.000 2.287 52 V HA -0.204 3.838 4.120 -0.131 0.000 0.248 52 V C 2.689 178.599 176.094 -0.307 0.000 1.053 52 V CA 2.297 64.404 62.300 -0.323 0.000 1.027 52 V CB -0.495 31.009 31.823 -0.531 0.000 0.646 52 V HN 0.455 nan 8.190 nan 0.000 0.447 53 E N -0.018 120.038 120.200 -0.241 0.000 2.051 53 E HA -0.179 4.093 4.350 -0.131 0.000 0.192 53 E C 2.311 178.830 176.600 -0.135 0.000 0.991 53 E CA 1.289 57.584 56.400 -0.174 0.000 0.799 53 E CB -0.505 29.122 29.700 -0.123 0.000 0.748 53 E HN 0.651 nan 8.360 nan 0.000 0.449 54 G N 0.847 109.574 108.800 -0.121 0.000 2.422 54 G HA2 -0.249 3.632 3.960 -0.131 0.000 0.218 54 G HA3 -0.249 3.632 3.960 -0.131 0.000 0.218 54 G C 1.637 176.475 174.900 -0.105 0.000 1.146 54 G CA 0.875 45.916 45.100 -0.098 0.000 0.769 54 G HN 0.350 nan 8.290 nan 0.000 0.547 55 A N 0.485 123.230 122.820 -0.125 0.000 1.873 55 A HA 0.157 4.398 4.320 -0.131 0.000 0.215 55 A C 2.351 179.860 177.584 -0.125 0.000 1.186 55 A CA 1.139 53.103 52.037 -0.123 0.000 0.616 55 A CB -0.343 18.578 19.000 -0.131 0.000 0.823 55 A HN 0.343 nan 8.150 nan 0.000 0.442 56 L N -0.897 120.240 121.223 -0.143 0.000 2.418 56 L HA 0.080 4.342 4.340 -0.131 0.000 0.218 56 L C 1.893 178.703 176.870 -0.100 0.000 1.125 56 L CA 0.271 55.035 54.840 -0.126 0.000 0.835 56 L CB -0.135 41.838 42.059 -0.142 0.000 0.953 56 L HN 0.326 nan 8.230 nan 0.000 0.454 57 L N -0.525 120.644 121.223 -0.091 0.000 2.513 57 L HA 0.240 4.502 4.340 -0.131 0.000 0.222 57 L C 1.378 178.211 176.870 -0.061 0.000 1.096 57 L CA -0.426 54.376 54.840 -0.064 0.000 0.857 57 L CB -0.159 41.868 42.059 -0.054 0.000 1.026 57 L HN 0.079 nan 8.230 nan 0.000 0.469 58 A N 0.984 123.759 122.820 -0.075 0.000 2.520 58 A HA 0.119 4.361 4.320 -0.131 0.000 0.235 58 A C 0.221 177.764 177.584 -0.068 0.000 1.065 58 A CA 0.089 52.085 52.037 -0.069 0.000 0.764 58 A CB 0.062 19.015 19.000 -0.079 0.000 1.002 58 A HN 0.284 nan 8.150 nan 0.000 0.502 59 E N -0.077 120.092 120.200 -0.051 0.000 2.283 59 E HA 0.500 4.772 4.350 -0.131 0.000 0.267 59 E C 1.023 177.593 176.600 -0.050 0.000 1.045 59 E CA 0.168 56.543 56.400 -0.041 0.000 0.884 59 E CB 1.049 30.739 29.700 -0.016 0.000 1.106 59 E HN 1.232 nan 8.360 nan 0.000 0.408 60 G N 1.363 110.137 108.800 -0.044 0.000 2.268 60 G HA2 -0.325 3.557 3.960 -0.131 0.000 0.240 60 G HA3 -0.325 3.557 3.960 -0.131 0.000 0.240 60 G C 0.600 175.436 174.900 -0.106 0.000 1.010 60 G CA 0.431 45.501 45.100 -0.050 0.000 0.618 60 G HN 0.694 nan 8.290 nan 0.000 0.516 61 T N 0.146 114.614 114.554 -0.143 0.000 2.900 61 T HA 0.568 4.840 4.350 -0.131 0.000 0.307 61 T C 0.550 175.040 174.700 -0.350 0.000 1.065 61 T CA 1.240 63.210 62.100 -0.217 0.000 1.105 61 T CB 1.670 70.423 68.868 -0.192 0.000 0.979 61 T HN 1.633 nan 8.240 nan 0.000 0.544 62 T N -1.000 113.240 114.554 -0.524 0.000 2.742 62 T HA 0.517 4.789 4.350 -0.131 0.000 0.282 62 T C 0.055 174.284 174.700 -0.786 0.000 1.025 62 T CA -1.179 60.323 62.100 -0.996 0.000 1.020 62 T CB 1.640 69.472 68.868 -1.728 0.000 1.317 62 T HN 0.592 nan 8.240 nan 0.000 0.538 63 K N 0.292 120.123 120.400 -0.948 0.000 2.498 63 K HA 0.418 4.659 4.320 -0.131 0.000 0.207 63 K C 0.517 176.940 176.600 -0.296 0.000 1.033 63 K CA -0.338 55.712 56.287 -0.395 0.000 1.138 63 K CB 0.540 32.891 32.500 -0.248 0.000 0.860 63 K HN 0.676 nan 8.250 nan 0.000 0.490 64 A N 2.297 124.737 122.820 -0.633 0.000 3.051 64 A HA 0.053 4.295 4.320 -0.131 0.000 0.257 64 A C 0.484 177.997 177.584 -0.119 0.000 1.785 64 A CA -0.007 51.882 52.037 -0.247 0.000 1.420 64 A CB -0.867 17.974 19.000 -0.264 0.000 1.063 64 A HN 0.267 nan 8.150 nan 0.000 0.630 65 T N -3.328 111.181 114.554 -0.074 0.000 2.926 65 T HA 0.518 4.789 4.350 -0.131 0.000 0.289 65 T C 0.840 175.465 174.700 -0.124 0.000 1.054 65 T CA -0.182 61.840 62.100 -0.129 0.000 1.015 65 T CB 0.680 69.371 68.868 -0.296 0.000 1.167 65 T HN 0.701 nan 8.240 nan 0.000 0.526 66 F N 0.071 119.986 119.950 -0.058 0.000 2.161 66 F HA -0.054 4.394 4.527 -0.131 0.000 0.300 66 F C 2.526 178.264 175.800 -0.103 0.000 1.089 66 F CA 1.408 59.368 58.000 -0.066 0.000 1.282 66 F CB -0.831 38.123 39.000 -0.076 0.000 1.010 66 F HN 0.713 nan 8.300 nan 0.000 0.485 67 Q N -0.076 119.161 119.800 -0.938 0.000 1.993 67 Q HA -0.210 4.052 4.340 -0.131 0.000 0.202 67 Q C 2.152 177.844 176.000 -0.514 0.000 0.984 67 Q CA 2.130 57.478 55.803 -0.759 0.000 0.837 67 Q CB -0.636 27.389 28.738 -1.188 0.000 0.902 67 Q HN 0.644 nan 8.270 nan 0.000 0.423 68 Y N -0.271 119.905 120.300 -0.206 0.000 2.457 68 Y HA 0.010 4.480 4.550 -0.132 0.000 0.292 68 Y C 2.427 178.333 175.900 0.010 0.000 1.125 68 Y CA 0.527 58.584 58.100 -0.071 0.000 1.254 68 Y CB 0.214 38.640 38.460 -0.057 0.000 1.012 68 Y HN 0.085 nan 8.280 nan 0.000 0.555 69 R N -0.161 120.407 120.500 0.114 0.000 2.090 69 R HA -0.093 4.169 4.340 -0.131 0.000 0.228 69 R C 2.481 178.837 176.300 0.094 0.000 1.110 69 R CA 0.933 57.108 56.100 0.125 0.000 0.973 69 R CB -0.334 30.030 30.300 0.107 0.000 0.869 69 R HN 0.297 nan 8.270 nan 0.000 0.440 70 A N 1.101 123.952 122.820 0.052 0.000 1.873 70 A HA -0.161 4.081 4.320 -0.131 0.000 0.215 70 A C 2.025 179.641 177.584 0.054 0.000 1.186 70 A CA 1.048 53.103 52.037 0.030 0.000 0.616 70 A CB -0.527 18.480 19.000 0.010 0.000 0.823 70 A HN 0.239 nan 8.150 nan 0.000 0.442 71 L N 0.179 121.444 121.223 0.069 0.000 2.083 71 L HA -0.109 4.152 4.340 -0.131 0.000 0.209 71 L C 2.422 179.397 176.870 0.175 0.000 1.083 71 L CA 2.415 57.331 54.840 0.127 0.000 0.752 71 L CB -0.595 41.557 42.059 0.155 0.000 0.899 71 L HN 0.290 nan 8.230 nan 0.000 0.433 72 S N -0.538 115.265 115.700 0.173 0.000 2.440 72 S HA -0.167 4.225 4.470 -0.131 0.000 0.238 72 S C 1.898 176.604 174.600 0.177 0.000 1.010 72 S CA 0.979 59.281 58.200 0.170 0.000 0.972 72 S CB -0.386 62.907 63.200 0.155 0.000 0.774 72 S HN 0.492 nan 8.310 nan 0.000 0.501 73 R N 0.052 120.663 120.500 0.185 0.000 2.152 73 R HA -0.028 4.233 4.340 -0.131 0.000 0.232 73 R C 2.012 178.549 176.300 0.396 0.000 1.117 73 R CA 0.935 57.183 56.100 0.248 0.000 0.981 73 R CB -0.240 30.169 30.300 0.180 0.000 0.870 73 R HN 0.310 nan 8.270 nan 0.000 0.451 74 L N -0.302 121.152 121.223 0.386 0.000 2.349 74 L HA 0.007 4.268 4.340 -0.131 0.000 0.200 74 L C 2.244 179.315 176.870 0.334 0.000 1.064 74 L CA 1.708 56.780 54.840 0.387 0.000 0.821 74 L CB -0.278 42.012 42.059 0.385 0.000 1.027 74 L HN 0.098 nan 8.230 nan 0.000 0.476 75 T N -2.822 111.888 114.554 0.261 0.000 3.043 75 T HA 0.422 4.694 4.350 -0.131 0.000 0.263 75 T C 1.234 176.075 174.700 0.235 0.000 1.094 75 T CA 0.514 62.755 62.100 0.234 0.000 1.127 75 T CB -0.574 68.397 68.868 0.171 0.000 0.905 75 T HN 0.724 nan 8.240 nan 0.000 0.490 76 G N 1.894 110.807 108.800 0.189 0.000 2.598 76 G HA2 -0.286 3.595 3.960 -0.131 0.000 0.244 76 G HA3 -0.286 3.595 3.960 -0.131 0.000 0.244 76 G C -0.308 174.656 174.900 0.106 0.000 1.302 76 G CA -0.219 44.957 45.100 0.126 0.000 0.903 76 G HN 0.752 nan 8.290 nan 0.000 0.575 77 R N 1.165 121.705 120.500 0.067 0.000 2.325 77 R HA 0.519 4.780 4.340 -0.131 0.000 0.323 77 R C 0.769 177.105 176.300 0.059 0.000 1.177 77 R CA 0.681 56.803 56.100 0.038 0.000 1.018 77 R CB -0.564 29.724 30.300 -0.019 0.000 1.070 77 R HN 1.115 nan 8.270 nan 0.000 0.495 78 G N 1.963 110.812 108.800 0.082 0.000 3.042 78 G HA2 0.196 4.077 3.960 -0.131 0.000 0.278 78 G HA3 0.196 4.077 3.960 -0.131 0.000 0.278 78 G C 0.067 175.035 174.900 0.113 0.000 1.371 78 G CA -0.792 44.364 45.100 0.092 0.000 1.009 78 G HN 0.448 nan 8.290 nan 0.000 0.523 79 L N -0.438 120.858 121.223 0.120 0.000 2.079 79 L HA 0.036 4.297 4.340 -0.131 0.000 0.210 79 L C 2.762 179.728 176.870 0.159 0.000 1.081 79 L CA 1.435 56.389 54.840 0.188 0.000 0.752 79 L CB -0.438 41.693 42.059 0.119 0.000 0.896 79 L HN 0.515 nan 8.230 nan 0.000 0.433 80 L N -1.539 119.730 121.223 0.076 0.000 2.109 80 L HA -0.149 4.113 4.340 -0.131 0.000 0.207 80 L C 2.126 178.908 176.870 -0.146 0.000 1.086 80 L CA 1.635 56.469 54.840 -0.010 0.000 0.760 80 L CB -0.454 41.646 42.059 0.068 0.000 0.910 80 L HN 0.480 nan 8.230 nan 0.000 0.437 81 T N -5.495 109.056 114.554 -0.005 0.000 3.022 81 T HA 0.049 4.320 4.350 -0.131 0.000 0.250 81 T C 0.583 175.358 174.700 0.126 0.000 1.060 81 T CA -0.379 61.740 62.100 0.031 0.000 1.013 81 T CB 0.147 69.111 68.868 0.159 0.000 0.982 81 T HN 0.007 nan 8.240 nan 0.000 0.508 82 D N 1.043 121.499 120.400 0.095 0.000 2.423 82 D HA 0.535 5.097 4.640 -0.131 0.000 0.255 82 D C -0.500 175.917 176.300 0.195 0.000 1.174 82 D CA -0.555 53.481 54.000 0.059 0.000 1.008 82 D CB 0.938 41.781 40.800 0.073 0.000 1.101 82 D HN 0.566 nan 8.370 nan 0.000 0.516 83 W N -0.708 120.612 121.300 0.032 0.000 2.926 83 W HA 0.551 5.132 4.660 -0.131 0.000 0.361 83 W C -0.080 176.515 176.519 0.126 0.000 1.195 83 W CA -0.376 56.941 57.345 -0.048 0.000 1.177 83 W CB -0.043 29.312 29.460 -0.174 0.000 1.453 83 W HN 0.818 nan 8.180 nan 0.000 0.571 84 G N 0.810 109.849 108.800 0.397 0.000 2.598 84 G HA2 -0.379 3.502 3.960 -0.131 0.000 0.244 84 G HA3 -0.379 3.502 3.960 -0.131 0.000 0.244 84 G C 0.726 175.786 174.900 0.266 0.000 1.302 84 G CA 0.651 45.924 45.100 0.289 0.000 0.903 84 G HN 1.172 nan 8.290 nan 0.000 0.575 85 K N 0.122 120.602 120.400 0.133 0.000 2.032 85 K HA -0.133 4.108 4.320 -0.131 0.000 0.209 85 K C 3.025 179.649 176.600 0.040 0.000 1.048 85 K CA 2.825 59.160 56.287 0.081 0.000 0.927 85 K CB -0.435 32.089 32.500 0.039 0.000 0.712 85 K HN 0.862 nan 8.250 nan 0.000 0.441 86 S N -0.284 115.423 115.700 0.011 0.000 2.399 86 S HA -0.192 4.200 4.470 -0.131 0.000 0.231 86 S C 1.814 176.421 174.600 0.012 0.000 1.022 86 S CA 0.934 59.125 58.200 -0.015 0.000 0.983 86 S CB -0.773 62.393 63.200 -0.057 0.000 0.803 86 S HN 0.647 nan 8.310 nan 0.000 0.480 87 W N 2.723 123.984 121.300 -0.065 0.000 2.379 87 W HA 0.028 4.609 4.660 -0.132 0.000 0.307 87 W C 2.300 178.815 176.519 -0.007 0.000 1.200 87 W CA 1.430 58.757 57.345 -0.031 0.000 1.297 87 W CB -0.459 29.000 29.460 -0.001 0.000 1.140 87 W HN 0.250 nan 8.180 nan 0.000 0.507 88 K N 0.382 120.527 120.400 -0.425 0.000 2.063 88 K HA -0.257 3.985 4.320 -0.131 0.000 0.208 88 K C 1.895 178.205 176.600 -0.483 0.000 1.048 88 K CA 2.222 58.066 56.287 -0.738 0.000 0.928 88 K CB -0.310 32.066 32.500 -0.206 0.000 0.713 88 K HN 0.293 nan 8.250 nan 0.000 0.442 89 E N -0.191 119.856 120.200 -0.256 0.000 2.047 89 E HA -0.161 4.110 4.350 -0.131 0.000 0.191 89 E C 2.007 178.510 176.600 -0.162 0.000 0.987 89 E CA 1.013 57.318 56.400 -0.157 0.000 0.799 89 E CB -0.118 29.539 29.700 -0.072 0.000 0.752 89 E HN 0.420 nan 8.360 nan 0.000 0.449 90 A N 1.564 124.278 122.820 -0.178 0.000 1.877 90 A HA -0.238 4.003 4.320 -0.131 0.000 0.216 90 A C 2.120 179.597 177.584 -0.179 0.000 1.186 90 A CA 1.843 53.807 52.037 -0.122 0.000 0.620 90 A CB -0.514 18.441 19.000 -0.076 0.000 0.822 90 A HN 0.089 nan 8.150 nan 0.000 0.443 91 R N -0.069 120.202 120.500 -0.381 0.000 2.083 91 R HA -0.215 4.046 4.340 -0.131 0.000 0.237 91 R C 2.164 178.334 176.300 -0.217 0.000 1.137 91 R CA 2.192 58.083 56.100 -0.348 0.000 0.951 91 R CB -0.267 29.645 30.300 -0.646 0.000 0.851 91 R HN 0.361 nan 8.270 nan 0.000 0.434 92 K N 0.327 120.582 120.400 -0.242 0.000 2.063 92 K HA -0.065 4.176 4.320 -0.131 0.000 0.208 92 K C 1.724 178.258 176.600 -0.109 0.000 1.048 92 K CA 1.969 58.163 56.287 -0.154 0.000 0.928 92 K CB -0.545 31.864 32.500 -0.151 0.000 0.713 92 K HN 0.311 nan 8.250 nan 0.000 0.442 93 A N -0.156 122.605 122.820 -0.099 0.000 2.066 93 A HA 0.071 4.313 4.320 -0.131 0.000 0.218 93 A C 1.947 179.519 177.584 -0.020 0.000 1.157 93 A CA 1.106 53.087 52.037 -0.094 0.000 0.670 93 A CB -0.281 18.726 19.000 0.011 0.000 0.804 93 A HN 0.317 nan 8.150 nan 0.000 0.453 94 L N -0.800 120.433 121.223 0.016 0.000 2.556 94 L HA 0.027 4.289 4.340 -0.131 0.000 0.226 94 L C 2.264 179.256 176.870 0.203 0.000 1.089 94 L CA 0.765 55.669 54.840 0.107 0.000 0.864 94 L CB -0.080 42.034 42.059 0.092 0.000 1.067 94 L HN 0.498 nan 8.230 nan 0.000 0.477 95 K N -0.198 120.274 120.400 0.120 0.000 2.147 95 K HA -0.170 4.072 4.320 -0.131 0.000 0.205 95 K C 1.086 177.819 176.600 0.222 0.000 1.049 95 K CA 1.462 57.862 56.287 0.188 0.000 0.936 95 K CB -0.276 32.262 32.500 0.064 0.000 0.722 95 K HN 0.132 nan 8.250 nan 0.000 0.446 96 D N 1.954 122.418 120.400 0.106 0.000 2.154 96 D HA -0.150 4.411 4.640 -0.131 0.000 0.190 96 D C -0.711 175.598 176.300 0.016 0.000 1.003 96 D CA 1.605 55.632 54.000 0.045 0.000 0.849 96 D CB -1.446 39.354 40.800 -0.000 0.000 0.942 96 D HN 0.321 nan 8.370 nan 0.000 0.446 97 P HA -0.030 nan 4.420 nan 0.000 0.234 97 P C 0.796 177.915 177.300 -0.302 0.000 1.167 97 P CA 0.690 63.668 63.100 -0.204 0.000 0.763 97 P CB -0.193 31.269 31.700 -0.397 0.000 0.835 98 F N -2.003 118.024 119.950 0.128 0.000 2.695 98 F HA 0.196 4.644 4.527 -0.132 0.000 0.303 98 F C 1.151 177.006 175.800 0.091 0.000 1.091 98 F CA -0.362 57.732 58.000 0.157 0.000 1.300 98 F CB -0.297 38.769 39.000 0.109 0.000 1.071 98 F HN -0.247 nan 8.300 nan 0.000 0.578 99 L N 1.544 122.858 121.223 0.152 0.000 2.473 99 L HA 0.074 4.335 4.340 -0.131 0.000 0.268 99 L C -1.045 175.836 176.870 0.017 0.000 1.215 99 L CA -1.558 53.328 54.840 0.077 0.000 0.823 99 L CB 0.229 42.307 42.059 0.031 0.000 1.099 99 L HN -0.154 nan 8.230 nan 0.000 0.483 100 P HA -0.230 nan 4.420 nan 0.000 0.216 100 P C 1.145 178.396 177.300 -0.082 0.000 1.157 100 P CA 1.562 64.647 63.100 -0.024 0.000 0.880 100 P CB 0.049 31.744 31.700 -0.008 0.000 0.791 101 K N -1.272 119.080 120.400 -0.079 0.000 2.209 101 K HA -0.023 4.219 4.320 -0.131 0.000 0.204 101 K C 1.828 178.313 176.600 -0.191 0.000 1.048 101 K CA 1.677 57.899 56.287 -0.108 0.000 0.940 101 K CB -0.700 31.755 32.500 -0.075 0.000 0.729 101 K HN 0.002 nan 8.250 nan 0.000 0.451 102 S N 0.749 116.307 115.700 -0.238 0.000 2.404 102 S HA 0.005 4.397 4.470 -0.131 0.000 0.223 102 S C 2.024 176.069 174.600 -0.925 0.000 1.040 102 S CA 0.547 58.483 58.200 -0.441 0.000 0.957 102 S CB 0.004 63.032 63.200 -0.287 0.000 0.826 102 S HN 0.111 nan 8.310 nan 0.000 0.491 103 V N 2.583 122.148 119.914 -0.582 0.000 2.295 103 V HA -0.182 3.860 4.120 -0.131 0.000 0.246 103 V C 2.447 178.279 176.094 -0.438 0.000 1.049 103 V CA 1.672 63.668 62.300 -0.507 0.000 1.024 103 V CB -0.597 31.174 31.823 -0.086 0.000 0.648 103 V HN 0.383 nan 8.190 nan 0.000 0.447 104 R N 0.085 120.416 120.500 -0.282 0.000 2.127 104 R HA -0.144 4.118 4.340 -0.131 0.000 0.238 104 R C 2.293 178.472 176.300 -0.202 0.000 1.134 104 R CA 1.422 57.411 56.100 -0.184 0.000 0.975 104 R CB -0.746 29.479 30.300 -0.125 0.000 0.865 104 R HN 0.608 nan 8.270 nan 0.000 0.447 105 G N -0.777 107.831 108.800 -0.319 0.000 2.598 105 G HA2 -0.192 3.689 3.960 -0.131 0.000 0.215 105 G HA3 -0.192 3.689 3.960 -0.131 0.000 0.215 105 G C 0.932 175.770 174.900 -0.104 0.000 1.131 105 G CA 0.168 45.131 45.100 -0.228 0.000 0.785 105 G HN 0.410 nan 8.290 nan 0.000 0.539 106 Y N -0.543 119.696 120.300 -0.102 0.000 2.523 106 Y HA 0.153 4.624 4.550 -0.132 0.000 0.279 106 Y C 2.795 178.621 175.900 -0.123 0.000 1.139 106 Y CA 0.035 58.059 58.100 -0.127 0.000 1.296 106 Y CB 0.109 38.437 38.460 -0.220 0.000 1.045 106 Y HN 0.083 nan 8.280 nan 0.000 0.538 107 R N 1.416 121.925 120.500 0.015 0.000 2.122 107 R HA -0.264 3.998 4.340 -0.131 0.000 0.236 107 R C 1.826 178.124 176.300 -0.003 0.000 1.129 107 R CA 2.364 58.456 56.100 -0.014 0.000 0.925 107 R CB -0.184 30.097 30.300 -0.031 0.000 0.850 107 R HN 0.168 nan 8.270 nan 0.000 0.431 108 E N 0.001 120.199 120.200 -0.004 0.000 2.065 108 E HA -0.239 4.033 4.350 -0.131 0.000 0.201 108 E C 1.827 178.429 176.600 0.003 0.000 1.016 108 E CA 2.116 58.512 56.400 -0.007 0.000 0.818 108 E CB -0.406 29.288 29.700 -0.011 0.000 0.749 108 E HN 0.538 nan 8.360 nan 0.000 0.453 109 A N 0.007 122.837 122.820 0.017 0.000 1.877 109 A HA -0.218 4.023 4.320 -0.131 0.000 0.216 109 A C 2.275 179.867 177.584 0.012 0.000 1.186 109 A CA 1.964 54.012 52.037 0.018 0.000 0.620 109 A CB -0.547 18.467 19.000 0.025 0.000 0.822 109 A HN 0.250 nan 8.150 nan 0.000 0.443 110 M N -0.981 118.618 119.600 -0.003 0.000 2.117 110 M HA -0.188 4.213 4.480 -0.131 0.000 0.262 110 M C 2.099 178.410 176.300 0.017 0.000 1.065 110 M CA 1.751 57.039 55.300 -0.020 0.000 1.114 110 M CB -0.419 32.145 32.600 -0.061 0.000 1.361 110 M HN 0.520 nan 8.290 nan 0.000 0.408 111 E N 0.283 120.500 120.200 0.028 0.000 2.072 111 E HA -0.225 4.047 4.350 -0.131 0.000 0.191 111 E C 1.835 178.500 176.600 0.108 0.000 0.985 111 E CA 1.574 58.012 56.400 0.063 0.000 0.801 111 E CB -0.118 29.600 29.700 0.030 0.000 0.750 111 E HN 0.650 nan 8.360 nan 0.000 0.452 112 E N 0.930 121.173 120.200 0.073 0.000 2.150 112 E HA -0.223 4.048 4.350 -0.131 0.000 0.193 112 E C 1.954 178.685 176.600 0.219 0.000 0.985 112 E CA 1.121 57.591 56.400 0.117 0.000 0.814 112 E CB -0.071 29.653 29.700 0.040 0.000 0.752 112 E HN 0.054 nan 8.360 nan 0.000 0.466 113 E N 1.909 122.184 120.200 0.125 0.000 2.047 113 E HA -0.115 4.157 4.350 -0.131 0.000 0.191 113 E C 2.069 178.716 176.600 0.078 0.000 0.987 113 E CA 1.760 58.216 56.400 0.093 0.000 0.799 113 E CB -0.437 29.276 29.700 0.023 0.000 0.752 113 E HN 0.306 nan 8.360 nan 0.000 0.449 114 A N 0.045 122.898 122.820 0.055 0.000 1.940 114 A HA -0.165 4.077 4.320 -0.131 0.000 0.219 114 A C 2.173 179.832 177.584 0.125 0.000 1.176 114 A CA 1.613 53.649 52.037 -0.003 0.000 0.631 114 A CB -1.371 17.688 19.000 0.099 0.000 0.814 114 A HN 0.646 nan 8.150 nan 0.000 0.446 115 W N 0.665 122.003 121.300 0.062 0.000 2.355 115 W HA -0.124 4.456 4.660 -0.133 0.000 0.309 115 W C 2.399 178.947 176.519 0.047 0.000 1.206 115 W CA 2.256 59.651 57.345 0.084 0.000 1.284 115 W CB -0.249 29.239 29.460 0.046 0.000 1.145 115 W HN 0.342 nan 8.180 nan 0.000 0.502 116 A N -0.175 122.715 122.820 0.118 0.000 1.873 116 A HA -0.182 4.059 4.320 -0.131 0.000 0.215 116 A C 1.967 179.435 177.584 -0.192 0.000 1.186 116 A CA 1.532 53.503 52.037 -0.109 0.000 0.616 116 A CB -1.540 17.540 19.000 0.133 0.000 0.823 116 A HN 0.475 nan 8.150 nan 0.000 0.442 117 F N -0.239 119.528 119.950 -0.306 0.000 2.065 117 F HA -0.211 4.237 4.527 -0.131 0.000 0.298 117 F C 1.964 177.392 175.800 -0.620 0.000 1.112 117 F CA 2.082 59.815 58.000 -0.446 0.000 1.212 117 F CB -0.391 38.232 39.000 -0.629 0.000 0.975 117 F HN 0.249 nan 8.300 nan 0.000 0.476 118 F N -0.277 119.457 119.950 -0.359 0.000 2.367 118 F HA 0.045 4.494 4.527 -0.131 0.000 0.298 118 F C 2.601 178.136 175.800 -0.442 0.000 1.094 118 F CA 0.497 58.108 58.000 -0.648 0.000 1.409 118 F CB -1.055 37.759 39.000 -0.309 0.000 1.064 118 F HN 0.049 nan 8.300 nan 0.000 0.528 119 G N 0.706 109.290 108.800 -0.361 0.000 2.462 119 G HA2 -0.277 3.604 3.960 -0.131 0.000 0.220 119 G HA3 -0.277 3.604 3.960 -0.131 0.000 0.220 119 G C 1.325 176.088 174.900 -0.227 0.000 1.121 119 G CA 1.025 45.844 45.100 -0.469 0.000 0.758 119 G HN 0.558 nan 8.290 nan 0.000 0.559 120 E N -1.294 118.805 120.200 -0.168 0.000 2.502 120 E HA 0.006 4.277 4.350 -0.131 0.000 0.194 120 E C -0.173 176.542 176.600 0.191 0.000 1.062 120 E CA -0.642 55.743 56.400 -0.026 0.000 0.867 120 E CB 0.024 29.686 29.700 -0.063 0.000 0.888 120 E HN 0.330 nan 8.360 nan 0.000 0.510 121 W N 1.959 123.251 121.300 -0.014 0.000 2.311 121 W HA 0.245 4.826 4.660 -0.132 0.000 0.310 121 W C 0.899 177.469 176.519 0.085 0.000 1.274 121 W CA -1.100 56.262 57.345 0.027 0.000 1.215 121 W CB 0.722 30.227 29.460 0.075 0.000 1.227 121 W HN -0.030 nan 8.180 nan 0.000 0.523 122 R N 2.127 122.732 120.500 0.176 0.000 2.586 122 R HA 0.219 4.481 4.340 -0.131 0.000 0.306 122 R C 1.175 177.514 176.300 0.066 0.000 1.079 122 R CA 0.423 56.588 56.100 0.107 0.000 1.083 122 R CB 0.096 30.417 30.300 0.036 0.000 1.306 122 R HN 0.880 nan 8.270 nan 0.000 0.567 123 G N 1.794 110.630 108.800 0.060 0.000 2.176 123 G HA2 -0.279 3.603 3.960 -0.131 0.000 0.253 123 G HA3 -0.279 3.603 3.960 -0.131 0.000 0.253 123 G C 0.228 175.056 174.900 -0.120 0.000 0.979 123 G CA 0.339 45.428 45.100 -0.019 0.000 0.641 123 G HN 0.466 nan 8.290 nan 0.000 0.530 124 E N 1.216 121.313 120.200 -0.172 0.000 2.409 124 E HA 0.305 4.577 4.350 -0.131 0.000 0.257 124 E C 0.170 176.601 176.600 -0.281 0.000 1.150 124 E CA -0.458 55.819 56.400 -0.206 0.000 0.942 124 E CB 0.721 30.291 29.700 -0.218 0.000 0.979 124 E HN 0.342 nan 8.360 nan 0.000 0.447 125 E N 1.061 121.121 120.200 -0.234 0.000 2.392 125 E HA 0.015 4.287 4.350 -0.131 0.000 0.264 125 E C -0.527 175.875 176.600 -0.330 0.000 1.024 125 E CA 0.091 56.347 56.400 -0.241 0.000 0.903 125 E CB 0.518 30.115 29.700 -0.173 0.000 0.963 125 E HN 0.297 nan 8.360 nan 0.000 0.432 126 R N 2.821 123.106 120.500 -0.359 0.000 2.673 126 R HA 0.190 4.451 4.340 -0.131 0.000 0.281 126 R C -1.024 175.125 176.300 -0.252 0.000 0.991 126 R CA -0.805 55.045 56.100 -0.416 0.000 0.896 126 R CB 1.336 31.175 30.300 -0.769 0.000 1.201 126 R HN 0.466 nan 8.270 nan 0.000 0.457 127 D N 3.567 123.869 120.400 -0.163 0.000 2.479 127 D HA 0.143 4.704 4.640 -0.131 0.000 0.218 127 D C 1.214 177.503 176.300 -0.018 0.000 1.131 127 D CA -0.267 53.681 54.000 -0.087 0.000 0.916 127 D CB 0.571 41.339 40.800 -0.054 0.000 1.022 127 D HN 0.462 nan 8.370 nan 0.000 0.515 128 L N 2.248 123.431 121.223 -0.066 0.000 2.129 128 L HA -0.171 4.090 4.340 -0.131 0.000 0.212 128 L C 1.775 178.666 176.870 0.035 0.000 1.087 128 L CA 1.100 55.934 54.840 -0.011 0.000 0.757 128 L CB -0.298 41.673 42.059 -0.146 0.000 0.896 128 L HN 0.393 nan 8.230 nan 0.000 0.434 129 D N -0.364 120.016 120.400 -0.034 0.000 2.084 129 D HA -0.267 4.295 4.640 -0.131 0.000 0.194 129 D C 2.134 178.444 176.300 0.017 0.000 0.990 129 D CA 1.595 55.556 54.000 -0.065 0.000 0.826 129 D CB 0.042 40.765 40.800 -0.129 0.000 0.971 129 D HN 0.364 nan 8.370 nan 0.000 0.453 130 H N 0.077 119.133 119.070 -0.023 0.000 2.353 130 H HA -0.035 4.442 4.556 -0.131 0.000 0.300 130 H C 1.794 177.179 175.328 0.096 0.000 1.090 130 H CA 1.874 57.932 56.048 0.017 0.000 1.327 130 H CB 0.051 29.812 29.762 -0.002 0.000 1.383 130 H HN 0.070 nan 8.280 nan 0.000 0.508 131 E N -0.115 120.165 120.200 0.133 0.000 2.153 131 E HA -0.134 4.138 4.350 -0.131 0.000 0.194 131 E C 2.071 178.788 176.600 0.195 0.000 0.988 131 E CA 0.768 57.336 56.400 0.280 0.000 0.811 131 E CB -0.106 29.935 29.700 0.568 0.000 0.746 131 E HN 0.557 nan 8.360 nan 0.000 0.466 132 M N 0.000 119.677 119.600 0.128 0.000 2.319 132 M HA -0.001 4.400 4.480 -0.131 0.000 0.265 132 M C 2.361 178.663 176.300 0.004 0.000 1.068 132 M CA 0.683 56.029 55.300 0.076 0.000 1.118 132 M CB -0.748 31.930 32.600 0.129 0.000 1.395 132 M HN 0.077 nan 8.290 nan 0.000 0.435 133 L N -0.319 120.887 121.223 -0.028 0.000 2.046 133 L HA -0.167 4.095 4.340 -0.131 0.000 0.208 133 L C 2.658 179.609 176.870 0.136 0.000 1.077 133 L CA 1.213 56.048 54.840 -0.008 0.000 0.747 133 L CB -0.788 41.219 42.059 -0.086 0.000 0.896 133 L HN 0.254 nan 8.230 nan 0.000 0.432 134 A N -0.267 122.542 122.820 -0.018 0.000 1.898 134 A HA -0.206 4.036 4.320 -0.131 0.000 0.216 134 A C 2.162 179.679 177.584 -0.111 0.000 1.181 134 A CA 1.543 53.574 52.037 -0.011 0.000 0.620 134 A CB -0.621 18.411 19.000 0.053 0.000 0.819 134 A HN 0.317 nan 8.150 nan 0.000 0.442 135 L N -0.241 120.781 121.223 -0.335 0.000 2.109 135 L HA -0.041 4.221 4.340 -0.131 0.000 0.207 135 L C 2.568 179.282 176.870 -0.259 0.000 1.086 135 L CA 2.402 56.852 54.840 -0.649 0.000 0.760 135 L CB -0.744 40.678 42.059 -1.061 0.000 0.910 135 L HN 0.360 nan 8.230 nan 0.000 0.437 136 S N -0.837 114.819 115.700 -0.074 0.000 2.359 136 S HA -0.207 4.184 4.470 -0.131 0.000 0.224 136 S C 2.063 176.711 174.600 0.080 0.000 1.035 136 S CA 1.720 59.964 58.200 0.074 0.000 1.018 136 S CB -0.506 62.814 63.200 0.200 0.000 0.876 136 S HN 0.419 nan 8.310 nan 0.000 0.448 137 L N 1.750 122.992 121.223 0.031 0.000 2.083 137 L HA 0.052 4.313 4.340 -0.131 0.000 0.209 137 L C 2.535 179.359 176.870 -0.077 0.000 1.083 137 L CA 1.711 56.470 54.840 -0.135 0.000 0.752 137 L CB -0.582 41.301 42.059 -0.293 0.000 0.899 137 L HN 0.273 nan 8.230 nan 0.000 0.433 138 R N -1.126 119.330 120.500 -0.074 0.000 2.075 138 R HA -0.099 4.163 4.340 -0.131 0.000 0.232 138 R C 2.215 178.494 176.300 -0.036 0.000 1.126 138 R CA 1.504 57.570 56.100 -0.057 0.000 0.963 138 R CB -0.463 29.791 30.300 -0.077 0.000 0.858 138 R HN 0.350 nan 8.270 nan 0.000 0.435 139 L N 0.246 121.447 121.223 -0.036 0.000 2.044 139 L HA -0.153 4.109 4.340 -0.131 0.000 0.205 139 L C 2.395 179.325 176.870 0.100 0.000 1.075 139 L CA 0.624 55.467 54.840 0.005 0.000 0.747 139 L CB -0.464 41.595 42.059 0.001 0.000 0.903 139 L HN 0.153 nan 8.230 nan 0.000 0.435 140 L N 0.382 121.697 121.223 0.154 0.000 2.012 140 L HA -0.119 4.142 4.340 -0.131 0.000 0.210 140 L C 2.354 179.290 176.870 0.110 0.000 1.073 140 L CA 2.244 57.193 54.840 0.182 0.000 0.748 140 L CB -1.060 41.061 42.059 0.103 0.000 0.891 140 L HN 0.161 nan 8.230 nan 0.000 0.431 141 G N -0.351 108.496 108.800 0.078 0.000 2.414 141 G HA2 -0.279 3.602 3.960 -0.131 0.000 0.215 141 G HA3 -0.279 3.602 3.960 -0.131 0.000 0.215 141 G C 1.590 176.517 174.900 0.045 0.000 1.188 141 G CA 0.835 45.999 45.100 0.107 0.000 0.783 141 G HN 0.568 nan 8.290 nan 0.000 0.537 142 R N 0.644 121.143 120.500 -0.001 0.000 2.096 142 R HA 0.083 4.344 4.340 -0.131 0.000 0.240 142 R C 2.650 178.886 176.300 -0.107 0.000 1.139 142 R CA 1.791 57.871 56.100 -0.033 0.000 0.952 142 R CB -0.812 29.472 30.300 -0.027 0.000 0.854 142 R HN 0.230 nan 8.270 nan 0.000 0.436 143 A N 1.378 124.087 122.820 -0.184 0.000 1.898 143 A HA 0.030 4.272 4.320 -0.131 0.000 0.216 143 A C 2.296 179.550 177.584 -0.550 0.000 1.181 143 A CA 1.131 52.876 52.037 -0.487 0.000 0.620 143 A CB -0.248 18.323 19.000 -0.714 0.000 0.819 143 A HN 0.328 nan 8.150 nan 0.000 0.442 144 L N -3.175 117.790 121.223 -0.429 0.000 2.408 144 L HA 0.201 4.462 4.340 -0.131 0.000 0.215 144 L C 1.103 177.339 176.870 -1.056 0.000 1.081 144 L CA 0.493 54.914 54.840 -0.698 0.000 0.840 144 L CB 0.087 41.659 42.059 -0.811 0.000 1.002 144 L HN 0.380 nan 8.230 nan 0.000 0.468 145 F N -1.017 118.690 119.950 -0.406 0.000 2.729 145 F HA 0.392 4.840 4.527 -0.131 0.000 0.315 145 F C 1.518 177.087 175.800 -0.384 0.000 1.102 145 F CA 0.303 57.865 58.000 -0.729 0.000 1.204 145 F CB 0.902 39.614 39.000 -0.480 0.000 1.052 145 F HN 0.028 nan 8.300 nan 0.000 0.551 146 G N 1.457 110.228 108.800 -0.048 0.000 2.199 146 G HA2 -0.290 3.592 3.960 -0.131 0.000 0.254 146 G HA3 -0.290 3.592 3.960 -0.131 0.000 0.254 146 G C 0.129 175.051 174.900 0.038 0.000 0.982 146 G CA 0.390 45.519 45.100 0.049 0.000 0.632 146 G HN 0.539 nan 8.290 nan 0.000 0.529 147 K N -1.581 118.836 120.400 0.028 0.000 2.639 147 K HA 0.578 4.820 4.320 -0.131 0.000 0.279 147 K C -3.484 173.122 176.600 0.010 0.000 0.976 147 K CA -1.764 54.535 56.287 0.020 0.000 0.861 147 K CB 0.967 33.480 32.500 0.022 0.000 1.436 147 K HN -0.038 nan 8.250 nan 0.000 0.400 148 P HA -0.065 nan 4.420 nan 0.000 0.264 148 P C -0.580 176.693 177.300 -0.045 0.000 1.179 148 P CA 0.078 63.167 63.100 -0.018 0.000 0.763 148 P CB 0.357 32.051 31.700 -0.011 0.000 0.806 149 L N 1.718 122.895 121.223 -0.077 0.000 2.439 149 L HA 0.110 4.371 4.340 -0.131 0.000 0.269 149 L C 1.126 177.922 176.870 -0.124 0.000 1.179 149 L CA -0.208 54.551 54.840 -0.135 0.000 0.828 149 L CB 0.434 42.383 42.059 -0.184 0.000 1.106 149 L HN 0.398 nan 8.230 nan 0.000 0.467 150 S N 3.226 118.852 115.700 -0.123 0.000 2.546 150 S HA 0.059 4.450 4.470 -0.131 0.000 0.290 150 S C -1.522 173.020 174.600 -0.097 0.000 1.262 150 S CA -1.010 57.136 58.200 -0.091 0.000 1.083 150 S CB 0.723 63.877 63.200 -0.078 0.000 0.859 150 S HN 0.374 nan 8.310 nan 0.000 0.495 151 P HA -0.098 nan 4.420 nan 0.000 0.216 151 P C 1.741 178.989 177.300 -0.087 0.000 1.150 151 P CA 0.985 64.043 63.100 -0.070 0.000 0.837 151 P CB 0.005 31.685 31.700 -0.033 0.000 0.786 152 S N -0.914 114.734 115.700 -0.088 0.000 2.356 152 S HA -0.174 4.217 4.470 -0.131 0.000 0.223 152 S C 1.818 176.340 174.600 -0.130 0.000 1.032 152 S CA 1.164 59.276 58.200 -0.147 0.000 1.005 152 S CB -1.135 62.029 63.200 -0.060 0.000 0.867 152 S HN -0.028 nan 8.310 nan 0.000 0.449 153 L N 1.854 123.056 121.223 -0.035 0.000 1.990 153 L HA -0.060 4.202 4.340 -0.131 0.000 0.213 153 L C 2.522 179.374 176.870 -0.030 0.000 1.072 153 L CA 2.407 57.244 54.840 -0.006 0.000 0.755 153 L CB -1.076 40.934 42.059 -0.081 0.000 0.889 153 L HN 0.342 nan 8.230 nan 0.000 0.432 154 A N -0.845 121.924 122.820 -0.085 0.000 1.902 154 A HA -0.263 3.978 4.320 -0.131 0.000 0.217 154 A C 2.221 179.819 177.584 0.023 0.000 1.181 154 A CA 1.778 53.779 52.037 -0.060 0.000 0.623 154 A CB -0.809 18.070 19.000 -0.201 0.000 0.818 154 A HN 0.625 nan 8.150 nan 0.000 0.443 155 E N -0.236 119.935 120.200 -0.049 0.000 2.077 155 E HA -0.218 4.053 4.350 -0.131 0.000 0.193 155 E C 1.853 178.418 176.600 -0.059 0.000 0.989 155 E CA 1.748 58.105 56.400 -0.073 0.000 0.800 155 E CB -0.427 29.164 29.700 -0.182 0.000 0.746 155 E HN 0.708 nan 8.360 nan 0.000 0.452 156 H N -0.377 118.704 119.070 0.018 0.000 2.389 156 H HA 0.042 4.519 4.556 -0.131 0.000 0.299 156 H C 1.891 177.231 175.328 0.021 0.000 1.081 156 H CA 1.408 57.462 56.048 0.009 0.000 1.345 156 H CB -0.514 29.236 29.762 -0.019 0.000 1.393 156 H HN 0.352 nan 8.280 nan 0.000 0.520 157 A N 1.177 124.079 122.820 0.136 0.000 1.873 157 A HA -0.107 4.135 4.320 -0.131 0.000 0.215 157 A C 2.628 180.292 177.584 0.134 0.000 1.186 157 A CA 1.223 53.325 52.037 0.109 0.000 0.616 157 A CB -0.964 18.082 19.000 0.078 0.000 0.823 157 A HN 0.365 nan 8.150 nan 0.000 0.442 158 L N -1.207 120.094 121.223 0.130 0.000 2.046 158 L HA -0.190 4.072 4.340 -0.131 0.000 0.208 158 L C 2.385 179.327 176.870 0.121 0.000 1.077 158 L CA 2.093 57.006 54.840 0.121 0.000 0.747 158 L CB -0.178 41.945 42.059 0.107 0.000 0.896 158 L HN 0.207 nan 8.230 nan 0.000 0.432 159 K N 0.083 120.555 120.400 0.121 0.000 2.097 159 K HA -0.031 4.210 4.320 -0.131 0.000 0.205 159 K C 2.035 178.747 176.600 0.187 0.000 1.050 159 K CA 1.390 57.756 56.287 0.132 0.000 0.938 159 K CB -0.555 32.018 32.500 0.122 0.000 0.718 159 K HN 0.452 nan 8.250 nan 0.000 0.442 160 A N 0.439 123.386 122.820 0.212 0.000 1.902 160 A HA -0.128 4.114 4.320 -0.131 0.000 0.217 160 A C 2.167 180.002 177.584 0.419 0.000 1.181 160 A CA 1.356 53.602 52.037 0.348 0.000 0.623 160 A CB -0.648 18.458 19.000 0.177 0.000 0.818 160 A HN 0.236 nan 8.150 nan 0.000 0.443 161 L N -0.549 120.832 121.223 0.263 0.000 2.017 161 L HA -0.199 4.062 4.340 -0.131 0.000 0.208 161 L C 2.097 179.055 176.870 0.146 0.000 1.073 161 L CA 1.509 56.468 54.840 0.199 0.000 0.745 161 L CB -0.629 41.521 42.059 0.153 0.000 0.894 161 L HN 0.289 nan 8.230 nan 0.000 0.432 162 D N -0.405 120.077 120.400 0.137 0.000 2.182 162 D HA -0.149 4.413 4.640 -0.131 0.000 0.201 162 D C 2.350 178.703 176.300 0.089 0.000 0.986 162 D CA 0.814 54.876 54.000 0.103 0.000 0.847 162 D CB -0.114 40.742 40.800 0.093 0.000 0.942 162 D HN 0.111 nan 8.370 nan 0.000 0.467 163 R N 0.554 121.128 120.500 0.123 0.000 2.115 163 R HA -0.008 4.253 4.340 -0.131 0.000 0.230 163 R C 2.168 178.436 176.300 -0.053 0.000 1.111 163 R CA 0.572 56.720 56.100 0.080 0.000 0.976 163 R CB -0.498 29.927 30.300 0.209 0.000 0.870 163 R HN 0.420 nan 8.270 nan 0.000 0.445 164 I N -2.310 118.200 120.570 -0.099 0.000 3.904 164 I HA 0.210 4.302 4.170 -0.131 0.000 0.333 164 I C 1.080 177.169 176.117 -0.045 0.000 1.361 164 I CA -0.398 60.793 61.300 -0.182 0.000 1.116 164 I CB -0.062 37.737 38.000 -0.334 0.000 1.028 164 I HN -0.081 nan 8.210 nan 0.000 0.398 178 A N 0.239 123.078 122.820 0.031 0.000 1.929 178 A HA 0.326 4.567 4.320 -0.131 0.000 0.216 178 A C 2.199 179.815 177.584 0.054 0.000 1.176 178 A CA 1.769 53.830 52.037 0.039 0.000 0.628 178 A CB -0.698 18.321 19.000 0.031 0.000 0.816 178 A HN 0.547 nan 8.150 nan 0.000 0.444 179 A N -0.186 122.664 122.820 0.051 0.000 1.933 179 A HA -0.141 4.101 4.320 -0.131 0.000 0.218 179 A C 1.927 179.574 177.584 0.106 0.000 1.175 179 A CA 2.033 54.111 52.037 0.068 0.000 0.628 179 A CB -0.455 18.570 19.000 0.040 0.000 0.814 179 A HN 0.519 nan 8.150 nan 0.000 0.444 180 E N 0.097 120.347 120.200 0.083 0.000 2.077 180 E HA -0.094 4.178 4.350 -0.131 0.000 0.193 180 E C 2.056 178.765 176.600 0.181 0.000 0.989 180 E CA 1.508 57.981 56.400 0.122 0.000 0.800 180 E CB -0.380 29.362 29.700 0.070 0.000 0.746 180 E HN 0.513 nan 8.360 nan 0.000 0.452 181 A N 0.560 123.450 122.820 0.117 0.000 1.930 181 A HA -0.174 4.068 4.320 -0.131 0.000 0.217 181 A C 2.113 179.757 177.584 0.099 0.000 1.175 181 A CA 1.590 53.684 52.037 0.094 0.000 0.627 181 A CB -0.408 18.629 19.000 0.061 0.000 0.815 181 A HN 0.188 nan 8.150 nan 0.000 0.443 182 R N -1.819 118.751 120.500 0.116 0.000 2.075 182 R HA -0.075 4.187 4.340 -0.131 0.000 0.232 182 R C 2.013 178.397 176.300 0.139 0.000 1.126 182 R CA 1.439 57.605 56.100 0.110 0.000 0.963 182 R CB -0.608 29.759 30.300 0.113 0.000 0.858 182 R HN 0.545 nan 8.270 nan 0.000 0.435 183 F N 2.271 122.248 119.950 0.045 0.000 2.065 183 F HA -0.222 4.226 4.527 -0.131 0.000 0.298 183 F C 2.253 178.082 175.800 0.048 0.000 1.112 183 F CA 1.591 59.623 58.000 0.053 0.000 1.212 183 F CB -0.136 38.894 39.000 0.050 0.000 0.975 183 F HN -0.192 nan 8.300 nan 0.000 0.476 184 R N 0.109 120.603 120.500 -0.010 0.000 2.105 184 R HA -0.153 4.109 4.340 -0.131 0.000 0.239 184 R C 2.214 178.425 176.300 -0.148 0.000 1.135 184 R CA 1.458 57.480 56.100 -0.129 0.000 0.967 184 R CB -0.310 30.001 30.300 0.019 0.000 0.861 184 R HN 0.225 nan 8.270 nan 0.000 0.442 185 K N 0.594 120.949 120.400 -0.075 0.000 2.057 185 K HA -0.099 4.143 4.320 -0.131 0.000 0.206 185 K C 1.581 178.102 176.600 -0.132 0.000 1.050 185 K CA 1.199 57.440 56.287 -0.076 0.000 0.935 185 K CB -0.263 32.225 32.500 -0.021 0.000 0.715 185 K HN 0.183 nan 8.250 nan 0.000 0.439 186 D N 0.427 120.762 120.400 -0.108 0.000 2.144 186 D HA -0.135 4.427 4.640 -0.131 0.000 0.200 186 D C 2.001 178.187 176.300 -0.190 0.000 0.978 186 D CA 0.780 54.724 54.000 -0.095 0.000 0.833 186 D CB -0.036 40.791 40.800 0.044 0.000 0.961 186 D HN 0.192 nan 8.370 nan 0.000 0.470 187 R N 0.546 120.866 120.500 -0.301 0.000 2.075 187 R HA -0.064 4.197 4.340 -0.131 0.000 0.232 187 R C 2.274 178.541 176.300 -0.055 0.000 1.126 187 R CA 1.510 57.468 56.100 -0.237 0.000 0.963 187 R CB -0.401 29.599 30.300 -0.501 0.000 0.858 187 R HN 0.144 nan 8.270 nan 0.000 0.435 188 G N 0.053 108.776 108.800 -0.128 0.000 2.421 188 G HA2 -0.281 3.601 3.960 -0.131 0.000 0.216 188 G HA3 -0.281 3.601 3.960 -0.131 0.000 0.216 188 G C 1.510 176.355 174.900 -0.090 0.000 1.171 188 G CA 0.781 45.832 45.100 -0.082 0.000 0.775 188 G HN 0.477 nan 8.290 nan 0.000 0.543 189 A N 0.513 123.196 122.820 -0.229 0.000 1.877 189 A HA 0.051 4.292 4.320 -0.131 0.000 0.216 189 A C 2.367 179.798 177.584 -0.255 0.000 1.186 189 A CA 1.745 53.563 52.037 -0.364 0.000 0.620 189 A CB -0.535 17.914 19.000 -0.919 0.000 0.822 189 A HN 0.494 nan 8.150 nan 0.000 0.443 190 L N -1.384 119.714 121.223 -0.209 0.000 2.013 190 L HA -0.195 4.066 4.340 -0.131 0.000 0.212 190 L C 2.268 179.055 176.870 -0.138 0.000 1.073 190 L CA 2.118 56.898 54.840 -0.101 0.000 0.753 190 L CB -0.981 41.029 42.059 -0.082 0.000 0.890 190 L HN 0.464 nan 8.230 nan 0.000 0.432 191 Y N -0.130 120.115 120.300 -0.092 0.000 2.293 191 Y HA -0.130 4.342 4.550 -0.130 0.000 0.291 191 Y C 2.662 178.526 175.900 -0.060 0.000 1.137 191 Y CA 1.497 59.557 58.100 -0.066 0.000 1.202 191 Y CB -0.225 38.196 38.460 -0.065 0.000 0.990 191 Y HN 0.185 nan 8.280 nan 0.000 0.537 192 R N 0.039 120.573 120.500 0.056 0.000 2.081 192 R HA -0.165 4.096 4.340 -0.131 0.000 0.235 192 R C 1.918 178.211 176.300 -0.012 0.000 1.131 192 R CA 1.741 57.850 56.100 0.015 0.000 0.960 192 R CB -0.355 29.938 30.300 -0.013 0.000 0.856 192 R HN 0.448 nan 8.270 nan 0.000 0.436 193 E N 0.598 120.778 120.200 -0.033 0.000 2.208 193 E HA -0.084 4.188 4.350 -0.131 0.000 0.193 193 E C 1.907 178.457 176.600 -0.084 0.000 0.988 193 E CA 0.841 57.215 56.400 -0.043 0.000 0.828 193 E CB 0.001 29.692 29.700 -0.016 0.000 0.763 193 E HN 0.342 nan 8.360 nan 0.000 0.478 194 A N 1.322 124.071 122.820 -0.118 0.000 2.067 194 A HA -0.208 4.034 4.320 -0.131 0.000 0.219 194 A C 1.751 179.276 177.584 -0.099 0.000 1.158 194 A CA 1.021 52.960 52.037 -0.164 0.000 0.661 194 A CB -0.331 18.509 19.000 -0.267 0.000 0.801 194 A HN 0.173 nan 8.150 nan 0.000 0.452 195 E N -0.023 120.150 120.200 -0.045 0.000 2.219 195 E HA -0.181 4.090 4.350 -0.131 0.000 0.198 195 E C 2.123 178.712 176.600 -0.020 0.000 0.998 195 E CA 0.930 57.323 56.400 -0.012 0.000 0.818 195 E CB -0.282 29.421 29.700 0.005 0.000 0.741 195 E HN 0.673 nan 8.360 nan 0.000 0.477 196 A N 0.870 123.662 122.820 -0.046 0.000 2.015 196 A HA -0.101 4.141 4.320 -0.131 0.000 0.219 196 A C 2.078 179.630 177.584 -0.052 0.000 1.163 196 A CA 0.820 52.831 52.037 -0.043 0.000 0.646 196 A CB -0.324 18.639 19.000 -0.063 0.000 0.806 196 A HN 0.142 nan 8.150 nan 0.000 0.448 197 L N -0.251 120.902 121.223 -0.118 0.000 2.341 197 L HA 0.045 4.307 4.340 -0.131 0.000 0.214 197 L C 2.192 179.105 176.870 0.072 0.000 1.115 197 L CA 0.785 55.532 54.840 -0.155 0.000 0.820 197 L CB -0.571 41.227 42.059 -0.436 0.000 0.944 197 L HN 0.607 nan 8.230 nan 0.000 0.452 198 I N -1.365 119.240 120.570 0.059 0.000 3.444 198 I HA -0.060 4.032 4.170 -0.131 0.000 0.287 198 I C 1.780 177.968 176.117 0.119 0.000 1.302 198 I CA 0.509 61.872 61.300 0.105 0.000 1.368 198 I CB -0.219 37.821 38.000 0.067 0.000 1.048 198 I HN 0.084 nan 8.210 nan 0.000 0.487 199 V N -2.411 117.580 119.914 0.128 0.000 3.649 199 V HA 0.224 4.265 4.120 -0.131 0.000 0.275 199 V C 0.853 177.036 176.094 0.148 0.000 1.281 199 V CA 0.165 62.531 62.300 0.109 0.000 1.143 199 V CB -1.215 30.657 31.823 0.082 0.000 0.892 199 V HN 0.468 nan 8.190 nan 0.000 0.441 200 H N 2.276 121.427 119.070 0.136 0.000 2.492 200 H HA 0.542 5.020 4.556 -0.131 0.000 0.345 200 H C -2.870 172.535 175.328 0.128 0.000 1.136 200 H CA -2.087 54.055 56.048 0.156 0.000 1.202 200 H CB 2.838 32.777 29.762 0.296 0.000 1.524 200 H HN 0.155 nan 8.280 nan 0.000 0.506 201 P HA 0.089 nan 4.420 nan 0.000 0.274 201 P C -2.324 175.075 177.300 0.166 0.000 1.231 201 P CA -1.336 61.808 63.100 0.073 0.000 0.790 201 P CB 0.941 32.606 31.700 -0.059 0.000 0.951 202 P HA 0.078 nan 4.420 nan 0.000 0.249 202 P C 1.473 178.870 177.300 0.161 0.000 1.229 202 P CA 0.486 63.651 63.100 0.108 0.000 0.788 202 P CB 0.168 31.929 31.700 0.102 0.000 1.072 203 L N 0.741 122.085 121.223 0.200 0.000 2.083 203 L HA -0.152 4.109 4.340 -0.131 0.000 0.209 203 L C 2.721 179.684 176.870 0.156 0.000 1.083 203 L CA 1.969 56.926 54.840 0.194 0.000 0.752 203 L CB -1.358 40.846 42.059 0.241 0.000 0.899 203 L HN 0.091 nan 8.230 nan 0.000 0.433 204 S N -1.191 114.599 115.700 0.149 0.000 2.440 204 S HA -0.305 4.087 4.470 -0.131 0.000 0.240 204 S C 1.830 176.487 174.600 0.095 0.000 1.014 204 S CA 1.536 59.798 58.200 0.103 0.000 0.980 204 S CB -0.723 62.522 63.200 0.075 0.000 0.775 204 S HN 0.598 nan 8.310 nan 0.000 0.499 205 H N 1.343 120.434 119.070 0.035 0.000 2.423 205 H HA 0.292 4.770 4.556 -0.131 0.000 0.297 205 H C 0.506 175.847 175.328 0.020 0.000 1.075 205 H CA 0.781 56.841 56.048 0.020 0.000 1.342 205 H CB -0.295 29.477 29.762 0.016 0.000 1.395 205 H HN 0.393 nan 8.280 nan 0.000 0.530 206 L N 2.436 123.612 121.223 -0.078 0.000 2.418 206 L HA 0.294 4.555 4.340 -0.131 0.000 0.265 206 L C -1.683 175.137 176.870 -0.082 0.000 1.143 206 L CA -2.281 52.489 54.840 -0.116 0.000 0.809 206 L CB 0.603 42.669 42.059 0.013 0.000 1.124 206 L HN 0.227 nan 8.230 nan 0.000 0.456 207 P HA 0.076 nan 4.420 nan 0.000 0.272 207 P C 0.193 177.487 177.300 -0.011 0.000 1.230 207 P CA -0.465 62.607 63.100 -0.047 0.000 0.788 207 P CB 0.902 32.573 31.700 -0.048 0.000 0.949 208 R N 0.806 121.306 120.500 0.000 0.000 2.133 208 R HA -0.229 4.033 4.340 -0.131 0.000 0.245 208 R C 1.955 178.277 176.300 0.037 0.000 1.137 208 R CA 1.980 58.092 56.100 0.021 0.000 0.947 208 R CB -0.265 30.045 30.300 0.017 0.000 0.865 208 R HN 0.448 nan 8.270 nan 0.000 0.437 209 E N 0.007 120.223 120.200 0.025 0.000 2.038 209 E HA -0.234 4.037 4.350 -0.131 0.000 0.195 209 E C 2.035 178.669 176.600 0.056 0.000 1.000 209 E CA 1.325 57.746 56.400 0.035 0.000 0.803 209 E CB -0.346 29.360 29.700 0.010 0.000 0.750 209 E HN 0.217 nan 8.360 nan 0.000 0.448 210 R N 0.871 121.394 120.500 0.038 0.000 2.092 210 R HA 0.015 4.276 4.340 -0.131 0.000 0.231 210 R C 2.124 178.464 176.300 0.067 0.000 1.119 210 R CA 1.471 57.599 56.100 0.046 0.000 0.970 210 R CB -0.655 29.660 30.300 0.024 0.000 0.864 210 R HN 0.160 nan 8.270 nan 0.000 0.440 211 A N 0.473 123.330 122.820 0.061 0.000 1.908 211 A HA -0.137 4.104 4.320 -0.131 0.000 0.218 211 A C 2.200 179.834 177.584 0.084 0.000 1.181 211 A CA 1.562 53.645 52.037 0.076 0.000 0.627 211 A CB -0.665 18.374 19.000 0.066 0.000 0.818 211 A HN 0.355 nan 8.150 nan 0.000 0.445 212 L N -0.619 120.663 121.223 0.099 0.000 2.056 212 L HA -0.151 4.110 4.340 -0.131 0.000 0.207 212 L C 2.880 179.827 176.870 0.129 0.000 1.078 212 L CA 1.443 56.355 54.840 0.120 0.000 0.749 212 L CB -0.434 41.778 42.059 0.254 0.000 0.901 212 L HN 0.333 nan 8.230 nan 0.000 0.433 213 S N -0.564 115.248 115.700 0.187 0.000 2.368 213 S HA -0.151 4.240 4.470 -0.131 0.000 0.225 213 S C 1.836 176.498 174.600 0.103 0.000 1.030 213 S CA 1.118 59.426 58.200 0.181 0.000 0.999 213 S CB -0.152 63.137 63.200 0.149 0.000 0.844 213 S HN 0.402 nan 8.310 nan 0.000 0.459 214 E N 1.444 121.698 120.200 0.090 0.000 2.152 214 E HA 0.046 4.318 4.350 -0.131 0.000 0.192 214 E C 2.291 178.941 176.600 0.083 0.000 0.983 214 E CA 0.865 57.318 56.400 0.087 0.000 0.818 214 E CB -0.461 29.297 29.700 0.097 0.000 0.758 214 E HN 0.484 nan 8.360 nan 0.000 0.467 215 A N 1.140 123.994 122.820 0.056 0.000 1.877 215 A HA -0.132 4.109 4.320 -0.131 0.000 0.216 215 A C 2.599 180.156 177.584 -0.046 0.000 1.186 215 A CA 1.428 53.475 52.037 0.017 0.000 0.620 215 A CB -0.696 18.270 19.000 -0.056 0.000 0.822 215 A HN 0.134 nan 8.150 nan 0.000 0.443 216 V N -0.266 119.585 119.914 -0.105 0.000 2.427 216 V HA -0.208 3.834 4.120 -0.131 0.000 0.248 216 V C 2.729 178.818 176.094 -0.009 0.000 1.051 216 V CA 2.396 64.619 62.300 -0.129 0.000 1.048 216 V CB -1.177 30.502 31.823 -0.239 0.000 0.666 216 V HN 0.612 nan 8.190 nan 0.000 0.456 217 T N 0.502 115.076 114.554 0.035 0.000 2.708 217 T HA -0.138 4.133 4.350 -0.131 0.000 0.266 217 T C 1.889 176.625 174.700 0.061 0.000 1.037 217 T CA 1.562 63.701 62.100 0.065 0.000 1.146 217 T CB -0.289 68.624 68.868 0.075 0.000 0.865 217 T HN 0.298 nan 8.240 nan 0.000 0.435 218 L N 0.314 121.578 121.223 0.069 0.000 2.046 218 L HA -0.076 4.185 4.340 -0.131 0.000 0.208 218 L C 2.476 179.396 176.870 0.082 0.000 1.077 218 L CA 0.836 55.727 54.840 0.086 0.000 0.747 218 L CB -0.600 41.571 42.059 0.186 0.000 0.896 218 L HN 0.232 nan 8.230 nan 0.000 0.432 219 L N -0.370 120.888 121.223 0.058 0.000 1.994 219 L HA -0.158 4.103 4.340 -0.131 0.000 0.208 219 L C 2.407 179.335 176.870 0.097 0.000 1.071 219 L CA 1.687 56.554 54.840 0.045 0.000 0.745 219 L CB -0.487 41.558 42.059 -0.024 0.000 0.892 219 L HN -0.101 nan 8.230 nan 0.000 0.431 220 V N 0.200 120.165 119.914 0.086 0.000 2.332 220 V HA -0.305 3.737 4.120 -0.131 0.000 0.248 220 V C 2.772 178.933 176.094 0.111 0.000 1.055 220 V CA 1.729 64.094 62.300 0.108 0.000 1.038 220 V CB -1.304 30.581 31.823 0.103 0.000 0.651 220 V HN 0.635 nan 8.190 nan 0.000 0.450 221 A N -0.138 122.740 122.820 0.095 0.000 1.929 221 A HA 0.050 4.292 4.320 -0.131 0.000 0.216 221 A C 2.247 179.893 177.584 0.103 0.000 1.176 221 A CA 1.696 53.787 52.037 0.090 0.000 0.628 221 A CB -0.664 18.370 19.000 0.057 0.000 0.816 221 A HN 0.551 nan 8.150 nan 0.000 0.444 222 G N -2.767 106.095 108.800 0.105 0.000 2.921 222 G HA2 0.116 3.998 3.960 -0.131 0.000 0.213 222 G HA3 0.116 3.998 3.960 -0.131 0.000 0.213 222 G C 1.210 176.224 174.900 0.190 0.000 1.143 222 G CA 0.671 45.844 45.100 0.122 0.000 0.764 222 G HN 0.700 nan 8.290 nan 0.000 0.542 223 H N 0.753 119.863 119.070 0.067 0.000 2.281 223 H HA 0.086 4.564 4.556 -0.131 0.000 0.310 223 H C 2.222 177.593 175.328 0.071 0.000 1.052 223 H CA 1.124 57.208 56.048 0.060 0.000 1.331 223 H CB 0.283 30.067 29.762 0.036 0.000 1.419 223 H HN 0.306 nan 8.280 nan 0.000 0.518 224 E N 0.023 120.126 120.200 -0.161 0.000 2.204 224 E HA -0.136 4.136 4.350 -0.131 0.000 0.195 224 E C 2.233 178.823 176.600 -0.017 0.000 0.990 224 E CA 1.472 57.748 56.400 -0.206 0.000 0.821 224 E CB 0.009 29.635 29.700 -0.123 0.000 0.750 224 E HN 0.649 nan 8.360 nan 0.000 0.477 225 T N -0.344 114.248 114.554 0.063 0.000 2.643 225 T HA -0.148 4.123 4.350 -0.131 0.000 0.264 225 T C 2.197 176.983 174.700 0.142 0.000 1.045 225 T CA 1.311 63.472 62.100 0.102 0.000 1.155 225 T CB -0.780 68.156 68.868 0.114 0.000 0.863 225 T HN -0.014 nan 8.240 nan 0.000 0.420 226 V N 2.426 122.455 119.914 0.191 0.000 2.407 226 V HA -0.056 3.986 4.120 -0.131 0.000 0.248 226 V C 3.255 179.471 176.094 0.204 0.000 1.055 226 V CA 1.484 63.945 62.300 0.269 0.000 1.049 226 V CB -1.530 30.464 31.823 0.285 0.000 0.662 226 V HN 0.698 nan 8.190 nan 0.000 0.455 227 A N -0.244 122.640 122.820 0.107 0.000 1.877 227 A HA -0.214 4.028 4.320 -0.131 0.000 0.216 227 A C 2.509 180.109 177.584 0.027 0.000 1.186 227 A CA 2.315 54.380 52.037 0.046 0.000 0.620 227 A CB -0.748 18.218 19.000 -0.057 0.000 0.822 227 A HN 0.497 nan 8.150 nan 0.000 0.443 228 S N -0.209 115.508 115.700 0.029 0.000 2.356 228 S HA -0.055 4.337 4.470 -0.131 0.000 0.223 228 S C 2.337 177.006 174.600 0.114 0.000 1.032 228 S CA 1.235 59.443 58.200 0.013 0.000 1.005 228 S CB -0.518 62.776 63.200 0.157 0.000 0.867 228 S HN 0.810 nan 8.310 nan 0.000 0.449 229 A N 1.362 124.301 122.820 0.199 0.000 1.908 229 A HA -0.056 4.186 4.320 -0.131 0.000 0.218 229 A C 2.130 179.839 177.584 0.208 0.000 1.181 229 A CA 1.284 53.431 52.037 0.184 0.000 0.627 229 A CB -0.768 18.259 19.000 0.045 0.000 0.818 229 A HN 0.456 nan 8.150 nan 0.000 0.445 230 L N -0.882 120.479 121.223 0.229 0.000 2.093 230 L HA -0.153 4.109 4.340 -0.131 0.000 0.208 230 L C 2.810 179.613 176.870 -0.111 0.000 1.085 230 L CA 1.705 56.572 54.840 0.045 0.000 0.755 230 L CB -0.791 41.310 42.059 0.069 0.000 0.904 230 L HN 0.356 nan 8.230 nan 0.000 0.435 231 T N -1.338 113.189 114.554 -0.045 0.000 2.708 231 T HA -0.217 4.055 4.350 -0.131 0.000 0.266 231 T C 1.444 176.004 174.700 -0.234 0.000 1.037 231 T CA 1.634 63.654 62.100 -0.132 0.000 1.146 231 T CB -0.393 68.239 68.868 -0.394 0.000 0.865 231 T HN 0.397 nan 8.240 nan 0.000 0.435 232 W N 1.402 122.625 121.300 -0.128 0.000 2.374 232 W HA -0.056 4.524 4.660 -0.134 0.000 0.288 232 W C 2.943 179.354 176.519 -0.181 0.000 1.218 232 W CA 0.281 57.466 57.345 -0.267 0.000 1.245 232 W CB -0.423 28.849 29.460 -0.313 0.000 1.126 232 W HN 0.149 nan 8.180 nan 0.000 0.545 233 S N 0.239 115.979 115.700 0.067 0.000 2.356 233 S HA -0.180 4.212 4.470 -0.131 0.000 0.223 233 S C 1.477 176.074 174.600 -0.004 0.000 1.032 233 S CA 1.318 59.521 58.200 0.005 0.000 1.005 233 S CB -0.747 62.446 63.200 -0.011 0.000 0.867 233 S HN 0.228 nan 8.310 nan 0.000 0.449 234 F N 1.009 120.995 119.950 0.059 0.000 2.134 234 F HA -0.102 4.351 4.527 -0.124 0.000 0.299 234 F C 2.226 178.016 175.800 -0.017 0.000 1.097 234 F CA 0.525 58.538 58.000 0.022 0.000 1.264 234 F CB -0.360 38.537 39.000 -0.172 0.000 1.001 234 F HN 0.180 nan 8.300 nan 0.000 0.479 235 L N 0.546 121.811 121.223 0.070 0.000 1.989 235 L HA -0.211 4.050 4.340 -0.131 0.000 0.211 235 L C 2.031 178.839 176.870 -0.105 0.000 1.071 235 L CA 1.812 56.597 54.840 -0.092 0.000 0.749 235 L CB -0.862 41.078 42.059 -0.199 0.000 0.890 235 L HN 0.104 nan 8.230 nan 0.000 0.431 236 L N -1.179 119.947 121.223 -0.162 0.000 2.017 236 L HA -0.224 4.038 4.340 -0.131 0.000 0.208 236 L C 2.524 179.212 176.870 -0.303 0.000 1.073 236 L CA 1.322 55.900 54.840 -0.437 0.000 0.745 236 L CB -0.567 40.830 42.059 -1.103 0.000 0.894 236 L HN 0.299 nan 8.230 nan 0.000 0.432 237 L N -0.363 120.820 121.223 -0.066 0.000 2.201 237 L HA -0.144 4.117 4.340 -0.131 0.000 0.212 237 L C 2.757 179.775 176.870 0.247 0.000 1.105 237 L CA 1.107 56.062 54.840 0.192 0.000 0.775 237 L CB -0.503 41.700 42.059 0.241 0.000 0.913 237 L HN 0.383 nan 8.230 nan 0.000 0.440 238 S N -1.578 114.269 115.700 0.246 0.000 2.469 238 S HA -0.205 4.187 4.470 -0.131 0.000 0.238 238 S C 1.422 176.054 174.600 0.052 0.000 0.998 238 S CA 0.997 59.300 58.200 0.172 0.000 0.957 238 S CB -0.492 62.749 63.200 0.069 0.000 0.764 238 S HN 0.522 nan 8.310 nan 0.000 0.514 239 H N 0.481 119.626 119.070 0.126 0.000 2.586 239 H HA 0.439 4.915 4.556 -0.133 0.000 0.273 239 H C 0.121 175.576 175.328 0.212 0.000 0.997 239 H CA -0.070 56.079 56.048 0.169 0.000 1.177 239 H CB 0.421 30.315 29.762 0.220 0.000 1.471 239 H HN 0.092 nan 8.280 nan 0.000 0.538 240 R N 0.636 121.331 120.500 0.324 0.000 2.547 240 R HA 0.190 4.451 4.340 -0.131 0.000 0.280 240 R C -2.341 174.114 176.300 0.258 0.000 1.630 240 R CA -1.758 54.541 56.100 0.333 0.000 1.470 240 R CB 0.966 31.546 30.300 0.467 0.000 1.178 240 R HN 0.173 nan 8.270 nan 0.000 0.591 241 P HA -0.210 nan 4.420 nan 0.000 0.216 241 P C 0.898 178.258 177.300 0.101 0.000 1.150 241 P CA 1.392 64.569 63.100 0.128 0.000 0.843 241 P CB 0.351 32.114 31.700 0.106 0.000 0.787 242 D N -1.587 118.885 120.400 0.120 0.000 2.117 242 D HA -0.200 4.362 4.640 -0.131 0.000 0.197 242 D C 1.674 177.947 176.300 -0.045 0.000 0.987 242 D CA 1.264 55.285 54.000 0.035 0.000 0.829 242 D CB -1.440 39.388 40.800 0.046 0.000 0.961 242 D HN 0.254 nan 8.370 nan 0.000 0.460 243 W N 1.164 122.475 121.300 0.019 0.000 2.678 243 W HA 0.162 4.777 4.660 -0.076 0.000 0.256 243 W C 2.655 179.102 176.519 -0.121 0.000 1.280 243 W CA 0.297 57.638 57.345 -0.006 0.000 1.345 243 W CB -0.062 29.434 29.460 0.060 0.000 1.118 243 W HN 0.042 nan 8.180 nan 0.000 0.629 244 Q N 0.351 120.126 119.800 -0.042 0.000 2.079 244 Q HA -0.230 4.031 4.340 -0.131 0.000 0.200 244 Q C 2.159 178.059 176.000 -0.167 0.000 0.974 244 Q CA 1.557 57.110 55.803 -0.416 0.000 0.840 244 Q CB -0.309 28.283 28.738 -0.244 0.000 0.898 244 Q HN 0.269 nan 8.270 nan 0.000 0.430 245 K N 0.426 120.793 120.400 -0.055 0.000 2.057 245 K HA -0.129 4.113 4.320 -0.131 0.000 0.206 245 K C 2.100 178.665 176.600 -0.059 0.000 1.050 245 K CA 0.774 57.047 56.287 -0.024 0.000 0.935 245 K CB 0.181 32.662 32.500 -0.031 0.000 0.715 245 K HN -0.015 nan 8.250 nan 0.000 0.439 246 R N 0.549 120.958 120.500 -0.153 0.000 2.081 246 R HA -0.086 4.176 4.340 -0.131 0.000 0.235 246 R C 2.330 178.595 176.300 -0.058 0.000 1.131 246 R CA 1.121 57.089 56.100 -0.220 0.000 0.960 246 R CB -0.879 29.056 30.300 -0.607 0.000 0.856 246 R HN 0.140 nan 8.270 nan 0.000 0.436 247 V N 1.300 121.236 119.914 0.038 0.000 2.343 247 V HA -0.220 3.822 4.120 -0.131 0.000 0.247 247 V C 2.521 178.727 176.094 0.187 0.000 1.051 247 V CA 1.865 64.264 62.300 0.164 0.000 1.036 247 V CB -0.823 31.119 31.823 0.199 0.000 0.654 247 V HN 0.332 nan 8.190 nan 0.000 0.451 248 A N -0.470 122.457 122.820 0.179 0.000 1.969 248 A HA -0.196 4.046 4.320 -0.131 0.000 0.218 248 A C 2.107 179.761 177.584 0.116 0.000 1.169 248 A CA 1.707 53.864 52.037 0.199 0.000 0.635 248 A CB -0.319 18.801 19.000 0.199 0.000 0.810 248 A HN 0.659 nan 8.150 nan 0.000 0.445 249 E N -1.005 119.235 120.200 0.066 0.000 2.400 249 E HA 0.114 4.386 4.350 -0.131 0.000 0.195 249 E C 0.177 176.797 176.600 0.033 0.000 1.012 249 E CA 0.388 56.809 56.400 0.035 0.000 0.875 249 E CB 0.301 30.000 29.700 -0.000 0.000 0.859 249 E HN 0.364 nan 8.360 nan 0.000 0.498 250 S N -0.132 115.597 115.700 0.047 0.000 2.547 250 S HA 0.176 4.567 4.470 -0.131 0.000 0.281 250 S C 0.186 174.839 174.600 0.089 0.000 1.118 250 S CA -0.619 57.611 58.200 0.051 0.000 0.947 250 S CB 1.879 65.093 63.200 0.024 0.000 1.053 250 S HN -0.033 nan 8.310 nan 0.000 0.482 251 E N 2.455 122.703 120.200 0.080 0.000 2.072 251 E HA -0.045 4.227 4.350 -0.131 0.000 0.191 251 E C 1.474 178.143 176.600 0.115 0.000 0.985 251 E CA 1.506 57.961 56.400 0.091 0.000 0.801 251 E CB 0.030 29.770 29.700 0.066 0.000 0.750 251 E HN 0.690 nan 8.360 nan 0.000 0.452 252 E N -0.042 120.223 120.200 0.108 0.000 2.110 252 E HA -0.169 4.103 4.350 -0.131 0.000 0.193 252 E C 1.904 178.623 176.600 0.199 0.000 0.988 252 E CA 1.076 57.558 56.400 0.136 0.000 0.804 252 E CB -0.300 29.467 29.700 0.112 0.000 0.745 252 E HN 0.352 nan 8.360 nan 0.000 0.458 253 A N 1.337 124.273 122.820 0.192 0.000 1.898 253 A HA -0.020 4.221 4.320 -0.131 0.000 0.216 253 A C 2.426 180.242 177.584 0.386 0.000 1.181 253 A CA 1.803 54.026 52.037 0.310 0.000 0.620 253 A CB -0.519 18.549 19.000 0.114 0.000 0.819 253 A HN 0.261 nan 8.150 nan 0.000 0.442 254 A N -0.415 122.568 122.820 0.271 0.000 1.902 254 A HA -0.062 4.180 4.320 -0.131 0.000 0.217 254 A C 2.135 179.879 177.584 0.267 0.000 1.181 254 A CA 1.776 53.974 52.037 0.268 0.000 0.623 254 A CB -0.625 18.496 19.000 0.202 0.000 0.818 254 A HN 0.699 nan 8.150 nan 0.000 0.443 255 L N -0.338 121.021 121.223 0.228 0.000 2.046 255 L HA -0.032 4.229 4.340 -0.131 0.000 0.208 255 L C 2.628 179.644 176.870 0.243 0.000 1.077 255 L CA 2.174 57.152 54.840 0.231 0.000 0.747 255 L CB -0.733 41.434 42.059 0.180 0.000 0.896 255 L HN 0.329 nan 8.230 nan 0.000 0.432 256 A N -0.563 122.410 122.820 0.255 0.000 1.898 256 A HA -0.035 4.207 4.320 -0.131 0.000 0.216 256 A C 2.437 180.087 177.584 0.110 0.000 1.181 256 A CA 1.624 53.795 52.037 0.223 0.000 0.620 256 A CB -1.100 18.088 19.000 0.314 0.000 0.819 256 A HN 0.558 nan 8.150 nan 0.000 0.442 257 A N -1.259 121.664 122.820 0.172 0.000 1.898 257 A HA -0.003 4.238 4.320 -0.131 0.000 0.216 257 A C 2.026 179.766 177.584 0.260 0.000 1.181 257 A CA 1.553 53.685 52.037 0.158 0.000 0.620 257 A CB -0.691 18.498 19.000 0.314 0.000 0.819 257 A HN 0.598 nan 8.150 nan 0.000 0.442 258 F N 0.848 120.865 119.950 0.111 0.000 2.102 258 F HA -0.184 4.259 4.527 -0.139 0.000 0.298 258 F C 2.505 178.330 175.800 0.042 0.000 1.105 258 F CA 2.166 60.221 58.000 0.091 0.000 1.239 258 F CB -0.433 38.626 39.000 0.098 0.000 0.991 258 F HN 0.317 nan 8.300 nan 0.000 0.474 259 Q N -0.611 119.159 119.800 -0.050 0.000 2.167 259 Q HA -0.225 4.036 4.340 -0.131 0.000 0.202 259 Q C 2.002 177.711 176.000 -0.485 0.000 0.970 259 Q CA 1.562 57.143 55.803 -0.370 0.000 0.855 259 Q CB -0.234 28.093 28.738 -0.684 0.000 0.911 259 Q HN 0.424 nan 8.270 nan 0.000 0.438 260 E N 0.897 120.953 120.200 -0.241 0.000 2.107 260 E HA -0.096 4.175 4.350 -0.131 0.000 0.191 260 E C 1.739 178.404 176.600 0.108 0.000 0.982 260 E CA 1.159 57.569 56.400 0.017 0.000 0.809 260 E CB -0.116 29.603 29.700 0.031 0.000 0.756 260 E HN 0.306 nan 8.360 nan 0.000 0.459 261 A N 0.470 123.367 122.820 0.128 0.000 1.930 261 A HA -0.086 4.156 4.320 -0.131 0.000 0.217 261 A C 2.210 179.799 177.584 0.008 0.000 1.175 261 A CA 1.174 53.291 52.037 0.134 0.000 0.627 261 A CB -0.620 18.440 19.000 0.101 0.000 0.815 261 A HN 0.349 nan 8.150 nan 0.000 0.443 262 L N -1.233 119.893 121.223 -0.162 0.000 2.201 262 L HA -0.104 4.157 4.340 -0.131 0.000 0.212 262 L C 2.741 179.560 176.870 -0.084 0.000 1.105 262 L CA 1.295 56.011 54.840 -0.206 0.000 0.775 262 L CB -0.376 41.479 42.059 -0.340 0.000 0.913 262 L HN 0.451 nan 8.230 nan 0.000 0.440 263 R N 0.440 120.961 120.500 0.035 0.000 2.090 263 R HA -0.105 4.157 4.340 -0.131 0.000 0.228 263 R C 2.171 178.389 176.300 -0.135 0.000 1.110 263 R CA 1.145 57.288 56.100 0.071 0.000 0.973 263 R CB 0.032 30.323 30.300 -0.015 0.000 0.869 263 R HN 0.327 nan 8.270 nan 0.000 0.440 264 L N -1.034 120.080 121.223 -0.182 0.000 2.249 264 L HA 0.007 4.268 4.340 -0.131 0.000 0.207 264 L C 0.331 176.782 176.870 -0.698 0.000 1.090 264 L CA 0.649 55.226 54.840 -0.438 0.000 0.802 264 L CB 0.314 42.136 42.059 -0.395 0.000 0.947 264 L HN 0.154 nan 8.230 nan 0.000 0.453 265 Y N -0.278 119.870 120.300 -0.254 0.000 2.473 265 Y HA 0.264 4.732 4.550 -0.136 0.000 0.345 265 Y C -2.199 173.548 175.900 -0.255 0.000 0.932 265 Y CA -2.657 55.182 58.100 -0.435 0.000 1.124 265 Y CB 0.106 37.882 38.460 -1.139 0.000 1.162 265 Y HN -0.069 nan 8.280 nan 0.000 0.629 266 P HA 0.000 nan 4.420 nan 0.000 0.258 266 P C -2.298 175.020 177.300 0.029 0.000 1.187 266 P CA -0.778 62.274 63.100 -0.080 0.000 0.767 266 P CB 1.521 33.147 31.700 -0.123 0.000 0.770 267 P HA -0.161 nan 4.420 nan 0.000 0.215 267 P C 0.570 177.970 177.300 0.166 0.000 1.157 267 P CA 1.798 64.975 63.100 0.130 0.000 0.874 267 P CB -0.090 31.651 31.700 0.070 0.000 0.790 268 A N 0.433 123.271 122.820 0.028 0.000 2.506 268 A HA 0.150 4.392 4.320 -0.131 0.000 0.320 268 A C 0.728 178.293 177.584 -0.032 0.000 1.424 268 A CA -0.731 51.289 52.037 -0.027 0.000 1.044 268 A CB -0.866 18.087 19.000 -0.078 0.000 1.140 268 A HN 0.328 nan 8.150 nan 0.000 0.538 269 W N 2.545 123.812 121.300 -0.054 0.000 3.139 269 W HA 0.354 4.933 4.660 -0.134 0.000 0.260 269 W C -0.121 176.399 176.519 0.001 0.000 1.312 269 W CA -0.195 57.124 57.345 -0.043 0.000 1.606 269 W CB -0.603 28.814 29.460 -0.071 0.000 1.118 269 W HN 0.447 nan 8.180 nan 0.000 0.675 270 I N 1.173 121.409 120.570 -0.557 0.000 2.656 270 I HA 0.497 4.589 4.170 -0.131 0.000 0.292 270 I C -1.941 173.988 176.117 -0.313 0.000 1.144 270 I CA -1.076 59.954 61.300 -0.449 0.000 1.038 270 I CB 1.943 39.447 38.000 -0.827 0.000 1.244 270 I HN -0.249 nan 8.210 nan 0.000 0.420 271 L N 6.083 127.233 121.223 -0.122 0.000 2.408 271 L HA 0.703 4.964 4.340 -0.131 0.000 0.268 271 L C -0.299 176.531 176.870 -0.067 0.000 0.986 271 L CA -0.172 54.643 54.840 -0.043 0.000 0.820 271 L CB 2.379 44.511 42.059 0.121 0.000 1.303 271 L HN 0.719 nan 8.230 nan 0.000 0.411 272 T N -0.490 114.013 114.554 -0.084 0.000 2.901 272 T HA 0.890 5.161 4.350 -0.131 0.000 0.293 272 T C -0.572 174.101 174.700 -0.045 0.000 1.084 272 T CA -1.022 61.000 62.100 -0.130 0.000 1.008 272 T CB 2.392 71.031 68.868 -0.382 0.000 1.170 272 T HN 0.367 nan 8.240 nan 0.000 0.509 273 R N 0.195 120.635 120.500 -0.100 0.000 2.680 273 R HA 0.572 4.834 4.340 -0.131 0.000 0.269 273 R C -1.332 174.879 176.300 -0.149 0.000 1.026 273 R CA -0.820 55.199 56.100 -0.135 0.000 0.889 273 R CB 2.543 32.763 30.300 -0.134 0.000 1.241 273 R HN 0.869 nan 8.270 nan 0.000 0.463 274 R N 1.738 122.114 120.500 -0.207 0.000 2.494 274 R HA 0.486 4.748 4.340 -0.131 0.000 0.305 274 R C -0.749 175.442 176.300 -0.181 0.000 0.959 274 R CA -0.465 55.527 56.100 -0.179 0.000 0.864 274 R CB 0.958 31.126 30.300 -0.219 0.000 1.159 274 R HN 0.532 nan 8.270 nan 0.000 0.446 275 L N 4.368 125.521 121.223 -0.116 0.000 2.319 275 L HA 0.258 4.519 4.340 -0.131 0.000 0.280 275 L C 0.748 177.563 176.870 -0.090 0.000 1.099 275 L CA -0.298 54.481 54.840 -0.101 0.000 0.828 275 L CB 1.431 43.451 42.059 -0.064 0.000 1.150 275 L HN 0.715 nan 8.230 nan 0.000 0.442 276 E N 2.432 122.576 120.200 -0.093 0.000 2.452 276 E HA 0.183 4.455 4.350 -0.131 0.000 0.197 276 E C 0.231 176.808 176.600 -0.038 0.000 1.022 276 E CA 0.296 56.658 56.400 -0.063 0.000 0.890 276 E CB 0.690 30.354 29.700 -0.060 0.000 0.918 276 E HN 0.434 nan 8.360 nan 0.000 0.496 277 R N 0.134 120.608 120.500 -0.044 0.000 2.710 277 R HA 0.383 4.644 4.340 -0.131 0.000 0.270 277 R C -2.772 173.504 176.300 -0.040 0.000 1.021 277 R CA -2.297 53.783 56.100 -0.033 0.000 0.889 277 R CB 1.231 31.515 30.300 -0.028 0.000 1.243 277 R HN -0.170 nan 8.270 nan 0.000 0.464 278 P HA 0.013 nan 4.420 nan 0.000 0.265 278 P C -0.830 176.439 177.300 -0.052 0.000 1.187 278 P CA -0.075 62.998 63.100 -0.046 0.000 0.766 278 P CB 0.413 32.088 31.700 -0.043 0.000 0.820 279 L N 4.281 125.466 121.223 -0.063 0.000 2.381 279 L HA 0.517 4.779 4.340 -0.131 0.000 0.274 279 L C -1.443 175.383 176.870 -0.073 0.000 0.988 279 L CA -0.884 53.916 54.840 -0.066 0.000 0.824 279 L CB 1.537 43.554 42.059 -0.071 0.000 1.263 279 L HN 0.117 nan 8.230 nan 0.000 0.410 280 L N 6.265 127.449 121.223 -0.065 0.000 2.265 280 L HA 0.543 4.804 4.340 -0.131 0.000 0.288 280 L C -1.306 175.524 176.870 -0.066 0.000 1.058 280 L CA 0.154 54.955 54.840 -0.065 0.000 0.809 280 L CB 0.741 42.768 42.059 -0.053 0.000 1.179 280 L HN 0.632 nan 8.230 nan 0.000 0.429 281 L N 7.312 128.493 121.223 -0.070 0.000 2.433 281 L HA 0.541 4.803 4.340 -0.131 0.000 0.256 281 L C 0.928 177.762 176.870 -0.059 0.000 1.063 281 L CA -0.053 54.746 54.840 -0.068 0.000 0.922 281 L CB 0.557 42.571 42.059 -0.075 0.000 1.238 281 L HN 0.970 nan 8.230 nan 0.000 0.466 282 G N 2.130 110.899 108.800 -0.051 0.000 2.557 282 G HA2 -0.378 3.503 3.960 -0.131 0.000 0.292 282 G HA3 -0.378 3.503 3.960 -0.131 0.000 0.292 282 G C 0.605 175.480 174.900 -0.041 0.000 1.162 282 G CA 0.731 45.806 45.100 -0.042 0.000 0.964 282 G HN 0.628 nan 8.290 nan 0.000 0.541 283 E N 1.074 121.252 120.200 -0.038 0.000 2.479 283 E HA 0.167 4.439 4.350 -0.131 0.000 0.193 283 E C -0.307 176.260 176.600 -0.055 0.000 1.049 283 E CA 0.238 56.615 56.400 -0.039 0.000 0.870 283 E CB 0.066 29.749 29.700 -0.028 0.000 0.944 283 E HN 0.451 nan 8.360 nan 0.000 0.492 284 D N 0.727 121.088 120.400 -0.066 0.000 2.175 284 D HA 0.254 4.815 4.640 -0.131 0.000 0.248 284 D C -0.590 175.645 176.300 -0.109 0.000 1.047 284 D CA -0.205 53.737 54.000 -0.096 0.000 0.883 284 D CB 1.473 42.214 40.800 -0.099 0.000 1.180 284 D HN -0.018 nan 8.370 nan 0.000 0.438 285 R N 2.028 122.443 120.500 -0.141 0.000 2.502 285 R HA 0.442 4.703 4.340 -0.131 0.000 0.300 285 R C -1.128 175.058 176.300 -0.190 0.000 0.984 285 R CA -0.597 55.423 56.100 -0.133 0.000 0.882 285 R CB 0.976 31.214 30.300 -0.104 0.000 1.180 285 R HN 0.335 nan 8.270 nan 0.000 0.444 286 L N 6.137 127.261 121.223 -0.164 0.000 2.309 286 L HA 0.582 4.843 4.340 -0.131 0.000 0.282 286 L C -1.907 174.903 176.870 -0.099 0.000 1.036 286 L CA -2.061 52.673 54.840 -0.177 0.000 0.806 286 L CB 1.844 43.834 42.059 -0.116 0.000 1.220 286 L HN 0.465 nan 8.230 nan 0.000 0.429 287 P HA 0.029 nan 4.420 nan 0.000 0.276 287 P C -1.208 176.088 177.300 -0.006 0.000 1.252 287 P CA -0.641 62.443 63.100 -0.027 0.000 0.802 287 P CB 0.820 32.520 31.700 0.000 0.000 1.035 288 Q N 0.338 120.131 119.800 -0.012 0.000 2.349 288 Q HA 0.229 4.490 4.340 -0.131 0.000 0.287 288 Q C 0.879 176.878 176.000 -0.001 0.000 1.044 288 Q CA 1.087 56.881 55.803 -0.015 0.000 0.918 288 Q CB -0.501 28.229 28.738 -0.014 0.000 1.242 288 Q HN 0.861 nan 8.270 nan 0.000 0.405 289 G N 2.414 111.206 108.800 -0.012 0.000 2.234 289 G HA2 -0.229 3.652 3.960 -0.131 0.000 0.235 289 G HA3 -0.229 3.652 3.960 -0.131 0.000 0.235 289 G C 0.070 174.973 174.900 0.006 0.000 0.997 289 G CA 0.126 45.223 45.100 -0.005 0.000 0.623 289 G HN 0.705 nan 8.290 nan 0.000 0.514 290 T N 2.275 116.844 114.554 0.024 0.000 2.901 290 T HA 0.481 4.753 4.350 -0.131 0.000 0.301 290 T C 0.348 175.054 174.700 0.010 0.000 1.012 290 T CA 0.960 63.092 62.100 0.053 0.000 1.135 290 T CB 1.297 70.231 68.868 0.111 0.000 0.936 290 T HN 0.201 nan 8.240 nan 0.000 0.539 291 T N 4.549 119.112 114.554 0.015 0.000 2.749 291 T HA 0.393 4.665 4.350 -0.131 0.000 0.287 291 T C -0.212 174.491 174.700 0.005 0.000 0.970 291 T CA -0.622 61.480 62.100 0.004 0.000 0.980 291 T CB 0.359 69.263 68.868 0.060 0.000 0.924 291 T HN 0.164 nan 8.240 nan 0.000 0.456 292 L N 4.721 125.926 121.223 -0.030 0.000 2.292 292 L HA 0.482 4.743 4.340 -0.131 0.000 0.284 292 L C -0.316 176.528 176.870 -0.044 0.000 1.065 292 L CA -0.108 54.708 54.840 -0.040 0.000 0.806 292 L CB 1.373 43.394 42.059 -0.063 0.000 1.175 292 L HN 0.380 nan 8.230 nan 0.000 0.431 293 V N 5.650 125.538 119.914 -0.044 0.000 2.444 293 V HA 0.511 4.553 4.120 -0.131 0.000 0.294 293 V C -0.065 176.004 176.094 -0.041 0.000 1.022 293 V CA -0.632 61.654 62.300 -0.022 0.000 0.850 293 V CB 1.547 33.392 31.823 0.036 0.000 0.992 293 V HN 0.500 nan 8.190 nan 0.000 0.426 294 L N 3.050 124.297 121.223 0.039 0.000 2.319 294 L HA 0.801 5.063 4.340 -0.131 0.000 0.267 294 L C -0.062 176.984 176.870 0.292 0.000 1.011 294 L CA -0.531 54.407 54.840 0.164 0.000 0.818 294 L CB 2.171 44.355 42.059 0.208 0.000 1.316 294 L HN 0.604 nan 8.230 nan 0.000 0.432 295 S N 0.729 116.717 115.700 0.481 0.000 2.775 295 S HA 0.417 4.808 4.470 -0.131 0.000 0.277 295 S C -2.254 172.504 174.600 0.264 0.000 1.156 295 S CA -1.096 57.338 58.200 0.389 0.000 1.081 295 S CB 1.569 65.081 63.200 0.520 0.000 1.054 295 S HN 0.309 nan 8.310 nan 0.000 0.482 296 P HA -0.113 nan 4.420 nan 0.000 0.218 296 P C 0.983 178.224 177.300 -0.098 0.000 1.148 296 P CA 0.788 63.553 63.100 -0.559 0.000 0.822 296 P CB -0.056 31.167 31.700 -0.795 0.000 0.784 297 Y N 0.329 120.593 120.300 -0.058 0.000 2.097 297 Y HA -0.237 4.237 4.550 -0.127 0.000 0.282 297 Y C 2.060 177.942 175.900 -0.029 0.000 1.152 297 Y CA 1.582 59.653 58.100 -0.048 0.000 1.136 297 Y CB -0.991 37.478 38.460 0.015 0.000 0.975 297 Y HN -0.268 nan 8.280 nan 0.000 0.498 298 V N -0.663 119.304 119.914 0.089 0.000 2.270 298 V HA -0.296 3.746 4.120 -0.131 0.000 0.245 298 V C 2.286 178.394 176.094 0.023 0.000 1.043 298 V CA 2.437 64.697 62.300 -0.065 0.000 1.014 298 V CB -1.164 30.540 31.823 -0.200 0.000 0.645 298 V HN 0.462 nan 8.190 nan 0.000 0.447 299 T N -0.245 114.468 114.554 0.265 0.000 2.720 299 T HA -0.269 4.003 4.350 -0.131 0.000 0.268 299 T C 1.893 176.849 174.700 0.427 0.000 1.037 299 T CA 1.725 64.113 62.100 0.480 0.000 1.144 299 T CB -0.308 68.929 68.868 0.615 0.000 0.864 299 T HN 0.550 nan 8.240 nan 0.000 0.444 300 Q N 0.154 120.120 119.800 0.277 0.000 2.291 300 Q HA 0.033 4.295 4.340 -0.131 0.000 0.205 300 Q C 2.409 178.501 176.000 0.154 0.000 0.970 300 Q CA 0.898 56.891 55.803 0.316 0.000 0.876 300 Q CB -0.047 28.778 28.738 0.145 0.000 0.935 300 Q HN 0.417 nan 8.270 nan 0.000 0.455 301 R N -0.371 120.090 120.500 -0.064 0.000 2.189 301 R HA 0.125 4.386 4.340 -0.131 0.000 0.203 301 R C 1.843 178.075 176.300 -0.113 0.000 1.012 301 R CA 0.384 56.377 56.100 -0.177 0.000 1.015 301 R CB 0.335 30.384 30.300 -0.419 0.000 0.938 301 R HN 0.184 nan 8.270 nan 0.000 0.472 302 L N -1.055 120.104 121.223 -0.107 0.000 2.416 302 L HA 0.060 4.322 4.340 -0.131 0.000 0.216 302 L C 0.592 177.210 176.870 -0.421 0.000 1.098 302 L CA 0.712 55.379 54.840 -0.289 0.000 0.840 302 L CB 0.229 42.041 42.059 -0.413 0.000 0.981 302 L HN 0.179 nan 8.230 nan 0.000 0.462 303 Y N -1.259 119.094 120.300 0.088 0.000 2.708 303 Y HA 0.303 4.771 4.550 -0.136 0.000 0.287 303 Y C -0.250 175.594 175.900 -0.093 0.000 1.145 303 Y CA -0.515 57.596 58.100 0.019 0.000 1.249 303 Y CB 0.111 38.581 38.460 0.016 0.000 1.152 303 Y HN -0.115 nan 8.280 nan 0.000 0.532 304 F N 1.664 121.631 119.950 0.029 0.000 2.551 304 F HA 0.518 4.965 4.527 -0.133 0.000 0.316 304 F C -2.266 173.496 175.800 -0.064 0.000 1.089 304 F CA -2.854 55.136 58.000 -0.017 0.000 0.915 304 F CB 1.749 40.724 39.000 -0.041 0.000 1.186 304 F HN -0.172 nan 8.300 nan 0.000 0.456 305 P HA 0.040 nan 4.420 nan 0.000 0.271 305 P C -0.713 176.599 177.300 0.020 0.000 1.218 305 P CA 0.090 63.205 63.100 0.025 0.000 0.780 305 P CB 0.615 32.316 31.700 0.002 0.000 0.901 306 E N 0.820 121.008 120.200 -0.019 0.000 2.238 306 E HA -0.226 4.046 4.350 -0.131 0.000 0.219 306 E C 1.308 177.881 176.600 -0.045 0.000 1.275 306 E CA 0.446 56.822 56.400 -0.039 0.000 0.714 306 E CB -1.809 27.868 29.700 -0.038 0.000 1.154 306 E HN 0.785 nan 8.360 nan 0.000 0.363 307 G N 0.862 109.639 108.800 -0.038 0.000 2.485 307 G HA2 -0.283 3.599 3.960 -0.131 0.000 0.221 307 G HA3 -0.283 3.599 3.960 -0.131 0.000 0.221 307 G C 1.066 175.886 174.900 -0.133 0.000 1.115 307 G CA 0.761 45.833 45.100 -0.047 0.000 0.751 307 G HN 0.421 nan 8.290 nan 0.000 0.567 308 E N 0.079 120.194 120.200 -0.142 0.000 2.463 308 E HA 0.385 4.656 4.350 -0.131 0.000 0.193 308 E C 0.807 177.325 176.600 -0.136 0.000 1.041 308 E CA -0.273 56.018 56.400 -0.181 0.000 0.879 308 E CB 0.645 30.231 29.700 -0.190 0.000 0.997 308 E HN 0.360 nan 8.360 nan 0.000 0.478 309 A N 1.233 123.998 122.820 -0.092 0.000 2.306 309 A HA 0.355 4.597 4.320 -0.131 0.000 0.314 309 A C -0.761 176.830 177.584 0.011 0.000 1.164 309 A CA -0.488 51.525 52.037 -0.040 0.000 0.822 309 A CB 0.240 19.214 19.000 -0.044 0.000 1.130 309 A HN 0.205 nan 8.150 nan 0.000 0.496 310 F N 2.191 122.085 119.950 -0.093 0.000 2.404 310 F HA 0.367 4.883 4.527 -0.018 0.000 0.359 310 F C 0.208 175.928 175.800 -0.133 0.000 1.134 310 F CA -0.062 57.884 58.000 -0.091 0.000 1.160 310 F CB 0.385 39.376 39.000 -0.015 0.000 1.186 310 F HN 0.577 nan 8.300 nan 0.000 0.526 311 Q N 8.039 127.509 119.800 -0.551 0.000 2.771 311 Q HA 0.217 4.479 4.340 -0.131 0.000 0.247 311 Q C -2.253 173.336 176.000 -0.686 0.000 0.986 311 Q CA -1.716 53.744 55.803 -0.572 0.000 0.713 311 Q CB 1.574 30.148 28.738 -0.274 0.000 1.241 311 Q HN 0.400 nan 8.270 nan 0.000 0.488 312 P HA -0.191 nan 4.420 nan 0.000 0.221 312 P C 0.484 177.494 177.300 -0.482 0.000 1.145 312 P CA 1.187 63.676 63.100 -1.018 0.000 0.795 312 P CB 0.418 30.846 31.700 -2.120 0.000 0.775 313 E N -0.236 119.783 120.200 -0.302 0.000 2.209 313 E HA -0.210 4.061 4.350 -0.131 0.000 0.196 313 E C 1.996 178.577 176.600 -0.032 0.000 0.993 313 E CA 0.942 57.380 56.400 0.064 0.000 0.819 313 E CB -0.658 29.114 29.700 0.120 0.000 0.745 313 E HN 0.435 nan 8.360 nan 0.000 0.477 314 R N -0.147 120.248 120.500 -0.175 0.000 2.189 314 R HA -0.065 4.197 4.340 -0.131 0.000 0.223 314 R C 1.114 177.172 176.300 -0.404 0.000 1.092 314 R CA 1.179 57.105 56.100 -0.289 0.000 0.989 314 R CB -0.401 29.657 30.300 -0.403 0.000 0.876 314 R HN 0.159 nan 8.270 nan 0.000 0.457 315 F N 0.646 120.554 119.950 -0.070 0.000 2.693 315 F HA 0.287 4.712 4.527 -0.170 0.000 0.303 315 F C 1.587 177.416 175.800 0.049 0.000 1.097 315 F CA -0.055 57.930 58.000 -0.024 0.000 1.330 315 F CB 0.423 39.393 39.000 -0.051 0.000 1.067 315 F HN -0.096 nan 8.300 nan 0.000 0.565 316 L N -0.977 120.346 121.223 0.167 0.000 2.253 316 L HA 0.070 4.332 4.340 -0.131 0.000 0.205 316 L C 2.541 179.472 176.870 0.101 0.000 1.078 316 L CA 0.840 55.782 54.840 0.171 0.000 0.805 316 L CB -0.528 41.652 42.059 0.201 0.000 0.963 316 L HN 0.136 nan 8.230 nan 0.000 0.459 317 A N -0.394 122.455 122.820 0.047 0.000 1.930 317 A HA 0.010 4.252 4.320 -0.131 0.000 0.215 317 A C 0.745 178.336 177.584 0.012 0.000 1.176 317 A CA 0.799 52.846 52.037 0.017 0.000 0.632 317 A CB 0.027 19.017 19.000 -0.017 0.000 0.819 317 A HN 0.348 nan 8.150 nan 0.000 0.445 318 E N -0.985 119.210 120.200 -0.008 0.000 2.317 318 E HA 0.408 4.679 4.350 -0.131 0.000 0.270 318 E C -0.760 175.919 176.600 0.132 0.000 0.885 318 E CA -0.910 55.502 56.400 0.020 0.000 0.760 318 E CB 2.062 31.731 29.700 -0.051 0.000 1.227 318 E HN 0.345 nan 8.360 nan 0.000 0.434 319 R N 0.700 121.301 120.500 0.168 0.000 2.594 319 R HA 0.197 4.458 4.340 -0.131 0.000 0.272 319 R C 0.649 177.166 176.300 0.363 0.000 1.074 319 R CA 0.122 56.368 56.100 0.243 0.000 1.105 319 R CB 0.455 30.861 30.300 0.177 0.000 1.008 319 R HN 0.697 nan 8.270 nan 0.000 0.472 320 G N 2.518 111.572 108.800 0.423 0.000 3.414 320 G HA2 -0.013 3.869 3.960 -0.131 0.000 0.258 320 G HA3 -0.013 3.869 3.960 -0.131 0.000 0.258 320 G C -0.178 175.040 174.900 0.531 0.000 1.348 320 G CA -0.292 45.127 45.100 0.532 0.000 1.319 320 G HN 0.605 nan 8.290 nan 0.000 0.555 321 T N 2.460 117.247 114.554 0.387 0.000 2.934 321 T HA 0.173 4.445 4.350 -0.131 0.000 0.306 321 T C -2.102 172.819 174.700 0.369 0.000 1.042 321 T CA -0.332 61.949 62.100 0.302 0.000 1.145 321 T CB 1.176 70.171 68.868 0.212 0.000 0.982 321 T HN 0.060 nan 8.240 nan 0.000 0.544 322 P HA 0.202 nan 4.420 nan 0.000 0.264 322 P C -0.445 177.000 177.300 0.241 0.000 1.193 322 P CA -0.028 63.237 63.100 0.275 0.000 0.763 322 P CB 0.544 32.365 31.700 0.202 0.000 0.810 323 S N 0.706 116.570 115.700 0.274 0.000 2.688 323 S HA 0.560 4.952 4.470 -0.131 0.000 0.275 323 S C 1.258 175.933 174.600 0.126 0.000 1.175 323 S CA -0.224 58.082 58.200 0.177 0.000 0.818 323 S CB 0.949 64.264 63.200 0.192 0.000 1.157 323 S HN 0.362 nan 8.310 nan 0.000 0.482 324 G N 0.692 109.498 108.800 0.010 0.000 2.448 324 G HA2 -0.130 3.751 3.960 -0.131 0.000 0.219 324 G HA3 -0.130 3.751 3.960 -0.131 0.000 0.219 324 G C 1.290 176.219 174.900 0.047 0.000 1.127 324 G CA 0.895 45.930 45.100 -0.109 0.000 0.766 324 G HN 0.929 nan 8.290 nan 0.000 0.552 325 R N -2.248 118.363 120.500 0.184 0.000 2.334 325 R HA 0.276 4.538 4.340 -0.131 0.000 0.212 325 R C -0.261 176.452 176.300 0.688 0.000 0.897 325 R CA -0.271 56.020 56.100 0.318 0.000 1.056 325 R CB 0.091 30.413 30.300 0.036 0.000 1.046 325 R HN 0.223 nan 8.270 nan 0.000 0.513 326 Y N 1.467 122.097 120.300 0.549 0.000 2.359 326 Y HA 0.262 4.760 4.550 -0.087 0.000 0.336 326 Y C -1.757 174.459 175.900 0.527 0.000 1.098 326 Y CA -2.458 55.971 58.100 0.548 0.000 1.272 326 Y CB 0.913 39.737 38.460 0.607 0.000 1.112 326 Y HN 0.169 nan 8.280 nan 0.000 0.481 327 F N 6.044 125.932 119.950 -0.102 0.000 2.566 327 F HA 0.513 4.960 4.527 -0.132 0.000 0.347 327 F C -2.290 173.401 175.800 -0.182 0.000 1.515 327 F CA -1.992 55.941 58.000 -0.112 0.000 1.103 327 F CB 0.678 39.685 39.000 0.013 0.000 1.385 327 F HN 0.058 nan 8.300 nan 0.000 0.560 328 P HA -0.105 nan 4.420 nan 0.000 0.222 328 P C 0.586 177.580 177.300 -0.510 0.000 1.147 328 P CA 1.269 64.022 63.100 -0.579 0.000 0.790 328 P CB -0.016 31.248 31.700 -0.726 0.000 0.780 329 F N -0.670 119.223 119.950 -0.095 0.000 2.661 329 F HA 0.438 4.881 4.527 -0.139 0.000 0.306 329 F C 1.666 177.501 175.800 0.059 0.000 1.094 329 F CA 0.555 58.557 58.000 0.003 0.000 1.254 329 F CB 0.301 39.319 39.000 0.030 0.000 1.040 329 F HN 0.053 nan 8.300 nan 0.000 0.562 330 G N 1.058 110.009 108.800 0.251 0.000 2.548 330 G HA2 0.034 3.915 3.960 -0.131 0.000 0.208 330 G HA3 0.034 3.915 3.960 -0.131 0.000 0.208 330 G C -1.814 173.235 174.900 0.248 0.000 1.308 330 G CA -0.518 44.747 45.100 0.275 0.000 0.924 330 G HN 0.294 nan 8.290 nan 0.000 0.540 331 L N -0.444 120.861 121.223 0.137 0.000 2.643 331 L HA 0.757 5.018 4.340 -0.131 0.000 0.256 331 L C 0.640 177.528 176.870 0.030 0.000 0.931 331 L CA 1.770 56.659 54.840 0.080 0.000 0.895 331 L CB 1.567 43.636 42.059 0.016 0.000 1.430 331 L HN 3.051 nan 8.230 nan 0.000 0.419 332 G N 2.868 111.690 108.800 0.037 0.000 2.545 332 G HA2 -0.188 3.694 3.960 -0.131 0.000 0.216 332 G HA3 -0.188 3.694 3.960 -0.131 0.000 0.216 332 G C 0.236 175.163 174.900 0.046 0.000 1.314 332 G CA 0.191 45.305 45.100 0.023 0.000 0.906 332 G HN 0.787 nan 8.290 nan 0.000 0.563 333 Q N -0.225 119.596 119.800 0.035 0.000 2.181 333 Q HA -0.088 4.173 4.340 -0.131 0.000 0.205 333 Q C 2.182 178.248 176.000 0.110 0.000 0.980 333 Q CA 1.288 57.153 55.803 0.103 0.000 0.862 333 Q CB -0.062 28.728 28.738 0.086 0.000 0.905 333 Q HN 0.391 nan 8.270 nan 0.000 0.429 334 R N 0.672 121.146 120.500 -0.043 0.000 2.356 334 R HA 0.147 4.409 4.340 -0.131 0.000 0.234 334 R C 0.269 176.595 176.300 0.044 0.000 0.929 334 R CA -0.313 55.745 56.100 -0.070 0.000 1.084 334 R CB -0.870 29.279 30.300 -0.251 0.000 1.105 334 R HN 0.141 nan 8.270 nan 0.000 0.515 335 L N 1.158 122.433 121.223 0.088 0.000 2.559 335 L HA -0.045 4.216 4.340 -0.131 0.000 0.282 335 L C 0.352 177.295 176.870 0.122 0.000 1.232 335 L CA -0.010 54.898 54.840 0.115 0.000 0.885 335 L CB 0.365 42.490 42.059 0.109 0.000 1.131 335 L HN 0.271 nan 8.230 nan 0.000 0.498 336 C N 6.012 125.407 119.300 0.159 0.000 2.155 336 C HA -0.094 4.288 4.460 -0.131 0.000 0.396 336 C C 1.884 176.913 174.990 0.065 0.000 1.545 336 C CA 0.237 59.349 59.018 0.156 0.000 1.442 336 C CB -1.435 26.509 27.740 0.340 0.000 2.553 336 C HN 0.954 nan 8.230 nan 0.000 0.598 337 L N 6.106 127.319 121.223 -0.016 0.000 2.131 337 L HA 0.161 4.422 4.340 -0.131 0.000 0.210 337 L C 2.166 178.952 176.870 -0.141 0.000 1.092 337 L CA 2.435 57.195 54.840 -0.135 0.000 0.759 337 L CB -0.582 41.263 42.059 -0.356 0.000 0.903 337 L HN 0.879 nan 8.230 nan 0.000 0.435 338 G N -1.499 107.249 108.800 -0.087 0.000 3.233 338 G HA2 -0.032 3.850 3.960 -0.131 0.000 0.227 338 G HA3 -0.032 3.850 3.960 -0.131 0.000 0.227 338 G C 1.495 176.510 174.900 0.193 0.000 1.175 338 G CA 0.163 45.333 45.100 0.117 0.000 0.781 338 G HN 0.344 nan 8.290 nan 0.000 0.542 339 R N 0.583 121.078 120.500 -0.007 0.000 2.094 339 R HA -0.134 4.127 4.340 -0.131 0.000 0.239 339 R C 1.711 177.876 176.300 -0.225 0.000 1.137 339 R CA 2.061 57.890 56.100 -0.452 0.000 0.943 339 R CB -0.158 29.788 30.300 -0.591 0.000 0.850 339 R HN 0.158 nan 8.270 nan 0.000 0.433 340 D N -0.316 120.073 120.400 -0.018 0.000 2.117 340 D HA -0.178 4.383 4.640 -0.131 0.000 0.197 340 D C 1.590 177.985 176.300 0.159 0.000 0.987 340 D CA 1.050 55.083 54.000 0.055 0.000 0.829 340 D CB -0.328 40.522 40.800 0.084 0.000 0.961 340 D HN 0.200 nan 8.370 nan 0.000 0.460 341 F N 1.623 121.654 119.950 0.137 0.000 2.069 341 F HA -0.196 4.252 4.527 -0.132 0.000 0.298 341 F C 2.236 178.134 175.800 0.163 0.000 1.113 341 F CA 1.736 59.858 58.000 0.202 0.000 1.214 341 F CB -0.330 38.864 39.000 0.324 0.000 0.978 341 F HN -0.052 nan 8.300 nan 0.000 0.474 342 A N 0.178 123.308 122.820 0.516 0.000 1.930 342 A HA -0.104 4.137 4.320 -0.131 0.000 0.217 342 A C 2.216 179.982 177.584 0.304 0.000 1.175 342 A CA 1.538 53.857 52.037 0.471 0.000 0.627 342 A CB -1.146 18.247 19.000 0.654 0.000 0.815 342 A HN 0.477 nan 8.150 nan 0.000 0.443 343 L N -0.909 120.447 121.223 0.222 0.000 2.465 343 L HA -0.067 4.194 4.340 -0.131 0.000 0.224 343 L C 2.305 179.195 176.870 0.032 0.000 1.145 343 L CA 0.436 55.383 54.840 0.178 0.000 0.834 343 L CB -0.226 41.905 42.059 0.119 0.000 0.944 343 L HN 0.488 nan 8.230 nan 0.000 0.451 344 L N -0.605 120.610 121.223 -0.014 0.000 2.189 344 L HA -0.030 4.232 4.340 -0.131 0.000 0.199 344 L C 2.349 179.140 176.870 -0.132 0.000 1.074 344 L CA 1.404 56.199 54.840 -0.075 0.000 0.783 344 L CB -0.320 41.672 42.059 -0.111 0.000 0.955 344 L HN 0.124 nan 8.230 nan 0.000 0.460 345 E N -0.400 119.707 120.200 -0.155 0.000 2.038 345 E HA -0.202 4.070 4.350 -0.131 0.000 0.195 345 E C 2.009 178.477 176.600 -0.220 0.000 1.000 345 E CA 1.419 57.729 56.400 -0.150 0.000 0.803 345 E CB -0.537 29.140 29.700 -0.039 0.000 0.750 345 E HN 0.601 nan 8.360 nan 0.000 0.448 346 G N 1.172 109.694 108.800 -0.463 0.000 2.514 346 G HA2 -0.232 3.649 3.960 -0.131 0.000 0.217 346 G HA3 -0.232 3.649 3.960 -0.131 0.000 0.217 346 G C -0.801 173.707 174.900 -0.653 0.000 1.198 346 G CA 1.153 45.631 45.100 -1.038 0.000 0.780 346 G HN 0.349 nan 8.290 nan 0.000 0.565 347 P HA -0.049 nan 4.420 nan 0.000 0.215 347 P C 1.957 179.248 177.300 -0.016 0.000 1.153 347 P CA 0.761 63.783 63.100 -0.130 0.000 0.853 347 P CB -0.064 31.611 31.700 -0.042 0.000 0.788 348 I N -1.264 119.284 120.570 -0.036 0.000 2.163 348 I HA -0.226 3.865 4.170 -0.131 0.000 0.243 348 I C 2.166 178.353 176.117 0.118 0.000 1.085 348 I CA 1.440 62.762 61.300 0.038 0.000 1.347 348 I CB -0.697 37.304 38.000 0.002 0.000 1.044 348 I HN -0.160 nan 8.210 nan 0.000 0.408 349 V N 1.061 121.031 119.914 0.094 0.000 2.295 349 V HA -0.282 3.759 4.120 -0.131 0.000 0.246 349 V C 2.388 178.699 176.094 0.362 0.000 1.049 349 V CA 1.724 64.176 62.300 0.253 0.000 1.024 349 V CB -0.521 31.403 31.823 0.169 0.000 0.648 349 V HN 0.353 nan 8.190 nan 0.000 0.447 350 L N -0.400 120.950 121.223 0.212 0.000 2.012 350 L HA -0.241 4.021 4.340 -0.131 0.000 0.210 350 L C 2.742 179.895 176.870 0.473 0.000 1.073 350 L CA 2.149 57.180 54.840 0.319 0.000 0.748 350 L CB -0.639 41.570 42.059 0.251 0.000 0.891 350 L HN 0.271 nan 8.230 nan 0.000 0.431 351 R N 0.376 121.080 120.500 0.339 0.000 2.083 351 R HA -0.171 4.090 4.340 -0.131 0.000 0.237 351 R C 2.295 178.771 176.300 0.294 0.000 1.137 351 R CA 1.659 57.945 56.100 0.310 0.000 0.951 351 R CB -0.439 29.983 30.300 0.204 0.000 0.851 351 R HN 0.341 nan 8.270 nan 0.000 0.434 352 A N -0.202 122.797 122.820 0.298 0.000 1.902 352 A HA -0.162 4.079 4.320 -0.131 0.000 0.217 352 A C 2.106 179.799 177.584 0.181 0.000 1.181 352 A CA 1.443 53.667 52.037 0.312 0.000 0.623 352 A CB -0.855 18.410 19.000 0.440 0.000 0.818 352 A HN 0.530 nan 8.150 nan 0.000 0.443 353 F N -0.392 119.495 119.950 -0.104 0.000 2.051 353 F HA -0.124 4.323 4.527 -0.133 0.000 0.296 353 F C 1.777 177.378 175.800 -0.332 0.000 1.122 353 F CA 1.754 59.355 58.000 -0.664 0.000 1.201 353 F CB -0.369 38.086 39.000 -0.909 0.000 0.978 353 F HN 0.189 nan 8.300 nan 0.000 0.472 354 F N 0.715 120.789 119.950 0.207 0.000 2.546 354 F HA 0.011 4.466 4.527 -0.121 0.000 0.298 354 F C 2.230 178.027 175.800 -0.004 0.000 1.120 354 F CA 0.868 58.947 58.000 0.132 0.000 1.456 354 F CB -0.699 38.481 39.000 0.300 0.000 1.088 354 F HN -0.090 nan 8.300 nan 0.000 0.572 355 R N -0.641 119.924 120.500 0.108 0.000 2.276 355 R HA 0.013 4.275 4.340 -0.131 0.000 0.203 355 R C 2.152 178.395 176.300 -0.096 0.000 1.017 355 R CA 0.536 56.667 56.100 0.051 0.000 1.010 355 R CB 0.003 30.359 30.300 0.092 0.000 0.900 355 R HN 0.225 nan 8.270 nan 0.000 0.469 356 R N -0.868 119.452 120.500 -0.300 0.000 2.194 356 R HA 0.186 4.448 4.340 -0.131 0.000 0.194 356 R C -0.333 175.475 176.300 -0.821 0.000 0.985 356 R CA 0.296 56.025 56.100 -0.619 0.000 1.104 356 R CB 0.584 30.339 30.300 -0.909 0.000 1.092 356 R HN -0.067 nan 8.270 nan 0.000 0.555 357 F N 0.107 119.729 119.950 -0.546 0.000 2.639 357 F HA 0.588 5.035 4.527 -0.133 0.000 0.339 357 F C 0.256 175.922 175.800 -0.224 0.000 1.071 357 F CA -1.165 56.517 58.000 -0.531 0.000 0.994 357 F CB 1.182 39.569 39.000 -1.021 0.000 1.341 357 F HN -0.299 nan 8.300 nan 0.000 0.498 358 R N 0.788 121.420 120.500 0.221 0.000 2.837 358 R HA 0.709 4.970 4.340 -0.131 0.000 0.271 358 R C -1.699 174.810 176.300 0.349 0.000 0.993 358 R CA -0.995 55.321 56.100 0.359 0.000 0.931 358 R CB 2.352 32.793 30.300 0.235 0.000 1.206 358 R HN 0.610 nan 8.270 nan 0.000 0.474 359 L N 1.248 122.713 121.223 0.404 0.000 2.386 359 L HA 0.403 4.665 4.340 -0.131 0.000 0.271 359 L C -0.381 176.582 176.870 0.155 0.000 0.993 359 L CA -0.907 54.096 54.840 0.271 0.000 0.819 359 L CB 2.289 44.545 42.059 0.327 0.000 1.294 359 L HN 0.362 nan 8.230 nan 0.000 0.414 360 D N 2.575 123.016 120.400 0.068 0.000 2.354 360 D HA 0.258 4.820 4.640 -0.131 0.000 0.247 360 D C -2.322 173.938 176.300 -0.067 0.000 1.138 360 D CA -1.235 52.770 54.000 0.009 0.000 0.958 360 D CB 0.928 41.727 40.800 -0.003 0.000 1.144 360 D HN 0.159 nan 8.370 nan 0.000 0.458 361 P HA 0.017 nan 4.420 nan 0.000 0.262 361 P C -0.537 176.597 177.300 -0.276 0.000 1.182 361 P CA 0.468 63.304 63.100 -0.440 0.000 0.761 361 P CB 0.431 31.860 31.700 -0.452 0.000 0.795 362 L N 6.033 127.106 121.223 -0.250 0.000 2.334 362 L HA 0.510 4.772 4.340 -0.131 0.000 0.275 362 L C -1.905 174.952 176.870 -0.023 0.000 1.036 362 L CA -2.554 52.226 54.840 -0.100 0.000 0.807 362 L CB 1.432 43.427 42.059 -0.107 0.000 1.231 362 L HN 0.213 nan 8.230 nan 0.000 0.438 363 P HA 0.053 nan 4.420 nan 0.000 0.271 363 P C -0.967 176.331 177.300 -0.004 0.000 1.216 363 P CA -0.050 63.086 63.100 0.061 0.000 0.776 363 P CB 0.410 32.144 31.700 0.056 0.000 0.881 364 F N 4.690 124.707 119.950 0.111 0.000 2.438 364 F HA 0.245 4.689 4.527 -0.138 0.000 0.360 364 F C -0.738 175.117 175.800 0.092 0.000 1.118 364 F CA -1.002 57.058 58.000 0.100 0.000 1.164 364 F CB 0.076 39.117 39.000 0.068 0.000 1.131 364 F HN 0.266 nan 8.300 nan 0.000 0.527 365 P HA 0.318 nan 4.420 nan 0.000 0.284 365 P C -1.042 176.378 177.300 0.201 0.000 1.287 365 P CA -0.956 62.241 63.100 0.161 0.000 0.824 365 P CB 1.094 32.842 31.700 0.079 0.000 1.180 366 R N -0.223 120.355 120.500 0.130 0.000 2.543 366 R HA 0.344 4.606 4.340 -0.131 0.000 0.277 366 R C -0.560 175.822 176.300 0.137 0.000 1.074 366 R CA -0.689 55.476 56.100 0.108 0.000 1.076 366 R CB -0.163 30.168 30.300 0.051 0.000 0.993 366 R HN 0.124 nan 8.270 nan 0.000 0.459 367 V N 5.052 125.033 119.914 0.111 0.000 2.455 367 V HA 0.131 4.173 4.120 -0.131 0.000 0.273 367 V C 0.529 176.609 176.094 -0.023 0.000 1.045 367 V CA -0.395 61.968 62.300 0.106 0.000 0.976 367 V CB 0.722 32.523 31.823 -0.036 0.000 0.993 367 V HN 0.568 nan 8.190 nan 0.000 0.475 368 L N 4.786 126.022 121.223 0.021 0.000 2.257 368 L HA 0.555 4.817 4.340 -0.131 0.000 0.290 368 L C 0.705 177.475 176.870 -0.167 0.000 1.044 368 L CA -0.384 54.420 54.840 -0.061 0.000 0.810 368 L CB 1.230 43.287 42.059 -0.004 0.000 1.193 368 L HN 0.722 nan 8.230 nan 0.000 0.425 369 A N 4.835 127.448 122.820 -0.345 0.000 2.922 369 A HA 0.380 4.622 4.320 -0.131 0.000 0.298 369 A C 0.281 177.764 177.584 -0.169 0.000 1.588 369 A CA -0.381 51.254 52.037 -0.671 0.000 1.288 369 A CB -0.078 18.174 19.000 -1.248 0.000 1.130 369 A HN 0.854 nan 8.150 nan 0.000 0.557 370 Q N 0.398 120.227 119.800 0.048 0.000 3.036 370 Q HA 0.262 4.524 4.340 -0.131 0.000 0.195 370 Q C 1.440 177.652 176.000 0.353 0.000 1.139 370 Q CA -0.420 55.496 55.803 0.189 0.000 0.544 370 Q CB -0.055 28.749 28.738 0.110 0.000 4.824 370 Q HN 0.385 nan 8.270 nan 0.000 0.325 371 V N 0.710 120.761 119.914 0.229 0.000 2.469 371 V HA -0.133 3.909 4.120 -0.131 0.000 0.251 371 V C 0.772 177.020 176.094 0.255 0.000 1.064 371 V CA 2.294 64.713 62.300 0.200 0.000 1.066 371 V CB -0.214 31.687 31.823 0.130 0.000 0.667 371 V HN 0.888 nan 8.190 nan 0.000 0.461 372 T N -2.832 111.882 114.554 0.266 0.000 2.865 372 T HA 0.524 4.795 4.350 -0.131 0.000 0.294 372 T C -0.717 174.147 174.700 0.273 0.000 1.119 372 T CA -0.816 61.461 62.100 0.295 0.000 1.007 372 T CB 1.478 70.459 68.868 0.189 0.000 1.225 372 T HN 0.090 nan 8.240 nan 0.000 0.515 373 L N 2.056 123.449 121.223 0.284 0.000 2.360 373 L HA 0.501 4.763 4.340 -0.131 0.000 0.276 373 L C 0.592 177.745 176.870 0.471 0.000 1.121 373 L CA -0.542 54.431 54.840 0.221 0.000 0.845 373 L CB 0.259 42.394 42.059 0.126 0.000 1.143 373 L HN 0.494 nan 8.230 nan 0.000 0.452 374 R N 4.152 124.858 120.500 0.343 0.000 2.744 374 R HA 0.490 4.751 4.340 -0.131 0.000 0.279 374 R C -2.666 173.720 176.300 0.144 0.000 0.977 374 R CA -2.063 54.135 56.100 0.163 0.000 0.906 374 R CB 2.230 32.550 30.300 0.034 0.000 1.197 374 R HN 0.287 nan 8.270 nan 0.000 0.463 375 P HA 0.113 nan 4.420 nan 0.000 0.281 375 P C -0.588 176.677 177.300 -0.060 0.000 1.252 375 P CA -0.293 62.726 63.100 -0.134 0.000 0.778 375 P CB 0.946 32.352 31.700 -0.490 0.000 0.895 376 E N 2.414 122.622 120.200 0.013 0.000 2.376 376 E HA 0.253 4.525 4.350 -0.131 0.000 0.266 376 E C 1.027 177.612 176.600 -0.026 0.000 1.009 376 E CA 0.392 56.790 56.400 -0.003 0.000 0.902 376 E CB -0.429 29.280 29.700 0.014 0.000 0.972 376 E HN 0.796 nan 8.360 nan 0.000 0.439 377 G N 3.007 111.786 108.800 -0.035 0.000 2.143 377 G HA2 -0.233 3.649 3.960 -0.131 0.000 0.249 377 G HA3 -0.233 3.649 3.960 -0.131 0.000 0.249 377 G C 0.705 175.564 174.900 -0.069 0.000 0.981 377 G CA 0.121 45.194 45.100 -0.045 0.000 0.665 377 G HN 1.400 nan 8.290 nan 0.000 0.528 378 G N -1.121 107.627 108.800 -0.088 0.000 2.601 378 G HA2 0.113 3.995 3.960 -0.131 0.000 0.252 378 G HA3 0.113 3.995 3.960 -0.131 0.000 0.252 378 G C -0.133 174.675 174.900 -0.153 0.000 1.294 378 G CA 0.372 45.402 45.100 -0.117 0.000 0.912 378 G HN 1.814 nan 8.290 nan 0.000 0.574 379 L N 1.609 122.742 121.223 -0.151 0.000 2.481 379 L HA 0.581 4.843 4.340 -0.131 0.000 0.255 379 L C -2.324 174.463 176.870 -0.137 0.000 1.192 379 L CA -1.534 53.208 54.840 -0.164 0.000 0.924 379 L CB 1.639 43.572 42.059 -0.211 0.000 1.179 379 L HN 0.321 nan 8.230 nan 0.000 0.491 380 P HA 0.416 nan 4.420 nan 0.000 0.267 380 P C -0.988 176.234 177.300 -0.130 0.000 1.205 380 P CA 0.101 63.127 63.100 -0.122 0.000 0.765 380 P CB 1.038 32.678 31.700 -0.100 0.000 0.828 381 A N 3.138 125.865 122.820 -0.155 0.000 2.594 381 A HA 0.717 4.959 4.320 -0.131 0.000 0.295 381 A C -1.008 176.475 177.584 -0.169 0.000 1.071 381 A CA -0.689 51.258 52.037 -0.150 0.000 0.685 381 A CB 1.571 20.470 19.000 -0.169 0.000 1.285 381 A HN 0.366 nan 8.150 nan 0.000 0.405 382 R N 1.778 122.201 120.500 -0.127 0.000 2.396 382 R HA 0.540 4.801 4.340 -0.131 0.000 0.292 382 R C -2.911 173.324 176.300 -0.109 0.000 1.240 382 R CA -1.808 54.214 56.100 -0.130 0.000 1.270 382 R CB 0.102 30.350 30.300 -0.088 0.000 1.108 382 R HN 0.467 nan 8.270 nan 0.000 0.573 383 P HA 0.018 nan 4.420 nan 0.000 0.264 383 P C -1.046 176.200 177.300 -0.090 0.000 1.193 383 P CA 0.200 63.170 63.100 -0.216 0.000 0.763 383 P CB 0.477 31.759 31.700 -0.698 0.000 0.810 384 R N 1.986 122.541 120.500 0.091 0.000 2.387 384 R HA 0.473 4.735 4.340 -0.131 0.000 0.314 384 R C -0.466 175.990 176.300 0.261 0.000 0.958 384 R CA -0.749 55.444 56.100 0.155 0.000 0.846 384 R CB 1.506 31.863 30.300 0.095 0.000 1.147 384 R HN 0.353 nan 8.270 nan 0.000 0.447 385 E N 0.000 120.339 120.200 0.231 0.000 2.725 385 E HA 0.000 4.272 4.350 -0.131 0.000 0.291 385 E CA 0.000 56.456 56.400 0.094 0.000 0.976 385 E CB 0.000 29.733 29.700 0.056 0.000 0.812 385 E HN 0.000 nan 8.360 nan 0.000 0.440