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 1xvv_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPMPKFGPLA GLRVVFSGIE IAGPFAGQMF AEWGAEVIWI ENVAWADTIR DATA SEQUENCE VQPNYPQLSR RNLHALSLNI FKDEGREAFL KLMETTDIFI EASKGPAFAR DATA SEQUENCE RGITDEVLWQ HNPKLVIAHL SGFGQYGTEE YTNLPAYNTI AQAFSGYLIQ DATA SEQUENCE NGDVDQPMPA FPYTAAYFSG LTATTAALAA LHKVRETGKG ESIDIAMYEV DATA SEQUENCE MLRMGQYFMM DYFNGGEMCP RMSKGKDPYY AGCGLYKCAD GYIVMELVGI DATA SEQUENCE TQIEECFKDI GLAHLLGTPE IPEGTQLIHR IECPYGPLVE EKLDAWLATH DATA SEQUENCE TIAEVKERFA ELNIACAKVL TVPELESNPQ YVARESITQW QTMDGRTCKG DATA SEQUENCE PNIMPKFKNN PGQIWRGMPS HGMDTAAILK NIGYSENDIQ ELVSKGLAKV DATA SEQUENCE ED 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.866 176.870 -0.006 0.000 1.165 4 L CA 0.000 54.795 54.840 -0.076 0.000 0.813 4 L CB 0.000 41.907 42.059 -0.254 0.000 0.961 5 P HA 0.696 nan 4.420 nan 0.000 0.270 5 P C -0.293 177.030 177.300 0.038 0.000 1.242 5 P CA 0.684 63.817 63.100 0.056 0.000 0.768 5 P CB 1.058 32.810 31.700 0.087 0.000 0.820 6 M N 3.061 122.573 119.600 -0.146 0.000 2.414 6 M HA 0.522 5.001 4.480 -0.002 0.000 0.287 6 M C -2.921 173.151 176.300 -0.379 0.000 1.181 6 M CA -1.736 53.243 55.300 -0.534 0.000 0.933 6 M CB 0.719 32.891 32.600 -0.713 0.000 1.732 6 M HN 0.144 nan 8.290 nan 0.000 0.486 7 P HA 0.400 nan 4.420 nan 0.000 0.267 7 P C -0.857 176.444 177.300 0.001 0.000 1.200 7 P CA -0.197 62.823 63.100 -0.133 0.000 0.772 7 P CB 0.532 32.166 31.700 -0.110 0.000 0.855 8 K N 3.402 123.827 120.400 0.041 0.000 2.263 8 K HA 0.417 4.736 4.320 -0.002 0.000 0.282 8 K C -0.351 176.340 176.600 0.152 0.000 1.089 8 K CA -0.082 56.222 56.287 0.030 0.000 0.907 8 K CB -0.277 32.213 32.500 -0.017 0.000 1.148 8 K HN 0.516 nan 8.250 nan 0.000 0.470 9 F N -1.080 118.819 119.950 -0.084 0.000 2.741 9 F HA 0.656 5.182 4.527 -0.002 0.000 0.313 9 F C 0.087 175.858 175.800 -0.049 0.000 1.153 9 F CA -0.632 57.336 58.000 -0.052 0.000 0.931 9 F CB 0.754 39.738 39.000 -0.027 0.000 1.335 9 F HN 0.612 nan 8.300 nan 0.000 0.460 10 G N 1.066 109.863 108.800 -0.004 0.000 2.814 10 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.677 10 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.677 10 G C -2.325 172.396 174.900 -0.298 0.000 1.429 10 G CA -0.447 44.537 45.100 -0.193 0.000 0.868 10 G HN 0.776 nan 8.290 nan 0.000 0.553 11 P HA 0.031 nan 4.420 nan 0.000 0.226 11 P C 1.415 178.593 177.300 -0.204 0.000 1.153 11 P CA 1.035 63.910 63.100 -0.376 0.000 0.777 11 P CB 0.090 31.414 31.700 -0.627 0.000 0.794 12 L N -1.211 119.910 121.223 -0.169 0.000 2.818 12 L HA 0.355 4.694 4.340 -0.002 0.000 0.243 12 L C 0.891 177.692 176.870 -0.115 0.000 1.185 12 L CA -0.738 54.065 54.840 -0.061 0.000 0.988 12 L CB -0.280 41.828 42.059 0.082 0.000 1.292 12 L HN -0.185 nan 8.230 nan 0.000 0.519 13 A N 0.497 123.198 122.820 -0.198 0.000 2.584 13 A HA 0.311 4.630 4.320 -0.002 0.000 0.239 13 A C 1.518 179.032 177.584 -0.116 0.000 1.043 13 A CA 1.004 52.920 52.037 -0.203 0.000 0.756 13 A CB -0.310 18.580 19.000 -0.183 0.000 0.963 13 A HN 0.710 nan 8.150 nan 0.000 0.511 14 G N 0.590 109.327 108.800 -0.106 0.000 2.148 14 G HA2 -0.140 3.819 3.960 -0.002 0.000 0.254 14 G HA3 -0.140 3.819 3.960 -0.002 0.000 0.254 14 G C 0.005 174.874 174.900 -0.051 0.000 0.981 14 G CA 0.450 45.507 45.100 -0.072 0.000 0.670 14 G HN 1.497 nan 8.290 nan 0.000 0.528 15 L N 0.665 121.863 121.223 -0.041 0.000 2.312 15 L HA 0.824 5.163 4.340 -0.002 0.000 0.281 15 L C 0.689 177.536 176.870 -0.037 0.000 1.070 15 L CA 0.205 55.031 54.840 -0.025 0.000 0.805 15 L CB 0.822 42.889 42.059 0.014 0.000 1.174 15 L HN 0.589 nan 8.230 nan 0.000 0.434 16 R N 4.623 125.091 120.500 -0.054 0.000 2.288 16 R HA 0.730 5.069 4.340 -0.002 0.000 0.326 16 R C -1.491 174.758 176.300 -0.086 0.000 0.959 16 R CA -0.423 55.642 56.100 -0.059 0.000 0.834 16 R CB 0.604 30.867 30.300 -0.060 0.000 1.157 16 R HN 0.531 nan 8.270 nan 0.000 0.470 17 V N 2.391 122.256 119.914 -0.082 0.000 2.604 17 V HA 0.709 4.828 4.120 -0.002 0.000 0.305 17 V C -0.429 175.673 176.094 0.014 0.000 1.043 17 V CA -1.003 61.217 62.300 -0.135 0.000 0.888 17 V CB 2.090 33.710 31.823 -0.339 0.000 0.995 17 V HN 0.625 nan 8.190 nan 0.000 0.429 18 V N 5.248 125.218 119.914 0.093 0.000 2.588 18 V HA 0.650 4.769 4.120 -0.002 0.000 0.304 18 V C -0.798 175.529 176.094 0.389 0.000 1.042 18 V CA -0.600 61.825 62.300 0.210 0.000 0.877 18 V CB 1.657 33.596 31.823 0.194 0.000 0.996 18 V HN 0.815 nan 8.190 nan 0.000 0.425 19 F N 1.876 121.980 119.950 0.256 0.000 2.565 19 F HA 0.869 5.395 4.527 -0.002 0.000 0.313 19 F C -0.407 175.561 175.800 0.280 0.000 1.091 19 F CA -0.992 57.107 58.000 0.165 0.000 0.915 19 F CB 2.128 41.142 39.000 0.022 0.000 1.208 19 F HN 0.344 nan 8.300 nan 0.000 0.453 20 S N 2.208 118.154 115.700 0.409 0.000 2.552 20 S HA 0.890 5.359 4.470 -0.002 0.000 0.314 20 S C -0.474 174.335 174.600 0.348 0.000 1.099 20 S CA 0.210 58.640 58.200 0.383 0.000 1.070 20 S CB 0.578 64.044 63.200 0.444 0.000 0.998 20 S HN 1.716 nan 8.310 nan 0.000 0.474 21 G N 3.292 112.332 108.800 0.400 0.000 2.361 21 G HA2 0.393 4.352 3.960 -0.002 0.000 0.299 21 G HA3 0.393 4.352 3.960 -0.002 0.000 0.299 21 G C -1.366 173.719 174.900 0.308 0.000 1.544 21 G CA -0.392 44.875 45.100 0.280 0.000 0.860 21 G HN 1.088 nan 8.290 nan 0.000 0.610 22 I N -2.678 118.004 120.570 0.187 0.000 3.067 22 I HA 0.908 5.077 4.170 -0.002 0.000 0.312 22 I C 0.584 176.758 176.117 0.095 0.000 1.073 22 I CA -0.782 60.627 61.300 0.182 0.000 1.016 22 I CB 1.980 40.080 38.000 0.166 0.000 1.227 22 I HN 0.718 nan 8.210 nan 0.000 0.456 23 E N 0.538 120.799 120.200 0.101 0.000 3.180 23 E HA -0.283 4.066 4.350 -0.002 0.000 0.321 23 E C 0.702 177.292 176.600 -0.017 0.000 1.452 23 E CA 2.153 58.582 56.400 0.049 0.000 1.710 23 E CB -0.982 28.759 29.700 0.069 0.000 1.867 23 E HN 0.801 nan 8.360 nan 0.000 0.513 24 I N 0.576 121.087 120.570 -0.099 0.000 2.522 24 I HA -0.062 4.107 4.170 -0.002 0.000 0.240 24 I C 2.526 178.532 176.117 -0.186 0.000 1.078 24 I CA 1.019 62.200 61.300 -0.199 0.000 1.422 24 I CB -0.503 37.215 38.000 -0.471 0.000 1.188 24 I HN 0.504 nan 8.210 nan 0.000 0.442 25 A N 1.433 124.138 122.820 -0.192 0.000 1.849 25 A HA -0.171 4.148 4.320 -0.002 0.000 0.217 25 A C 2.372 179.896 177.584 -0.100 0.000 1.202 25 A CA 2.392 54.344 52.037 -0.142 0.000 0.629 25 A CB -1.635 17.285 19.000 -0.133 0.000 0.834 25 A HN 0.478 nan 8.150 nan 0.000 0.447 26 G N -0.426 108.298 108.800 -0.127 0.000 2.414 26 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.215 26 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.215 26 G C -0.272 174.375 174.900 -0.421 0.000 1.188 26 G CA 1.236 46.229 45.100 -0.178 0.000 0.783 26 G HN 0.501 nan 8.290 nan 0.000 0.537 27 P HA -0.107 nan 4.420 nan 0.000 0.216 27 P C 1.532 178.415 177.300 -0.694 0.000 1.150 27 P CA 0.577 63.116 63.100 -0.935 0.000 0.837 27 P CB -0.098 31.341 31.700 -0.434 0.000 0.786 28 F N 0.940 120.618 119.950 -0.453 0.000 2.102 28 F HA -0.165 4.361 4.527 -0.002 0.000 0.298 28 F C 2.197 177.809 175.800 -0.314 0.000 1.105 28 F CA 1.537 59.350 58.000 -0.311 0.000 1.239 28 F CB -0.999 37.882 39.000 -0.199 0.000 0.991 28 F HN -0.137 nan 8.300 nan 0.000 0.474 29 A N 0.193 122.818 122.820 -0.324 0.000 1.908 29 A HA -0.104 4.215 4.320 -0.002 0.000 0.218 29 A C 2.477 179.920 177.584 -0.235 0.000 1.181 29 A CA 1.889 53.746 52.037 -0.300 0.000 0.627 29 A CB -1.790 17.136 19.000 -0.123 0.000 0.818 29 A HN 0.521 nan 8.150 nan 0.000 0.445 30 G N -1.866 106.705 108.800 -0.381 0.000 2.408 30 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.215 30 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.215 30 G C 1.608 176.465 174.900 -0.072 0.000 1.156 30 G CA 0.875 45.877 45.100 -0.163 0.000 0.793 30 G HN 0.443 nan 8.290 nan 0.000 0.535 31 Q N -0.363 119.208 119.800 -0.381 0.000 2.230 31 Q HA 0.026 4.365 4.340 -0.002 0.000 0.202 31 Q C 2.373 178.154 176.000 -0.365 0.000 0.963 31 Q CA 0.786 56.426 55.803 -0.272 0.000 0.866 31 Q CB -0.154 28.381 28.738 -0.339 0.000 0.931 31 Q HN 0.397 nan 8.270 nan 0.000 0.452 32 M N -0.215 119.007 119.600 -0.629 0.000 2.159 32 M HA -0.112 4.367 4.480 -0.002 0.000 0.263 32 M C 1.483 177.214 176.300 -0.948 0.000 1.063 32 M CA 1.345 56.076 55.300 -0.948 0.000 1.110 32 M CB -0.699 31.171 32.600 -1.217 0.000 1.374 32 M HN 0.155 nan 8.290 nan 0.000 0.411 33 F N -0.265 119.373 119.950 -0.520 0.000 2.091 33 F HA -0.266 4.260 4.527 -0.002 0.000 0.299 33 F C 2.366 178.075 175.800 -0.152 0.000 1.103 33 F CA 1.702 59.537 58.000 -0.275 0.000 1.228 33 F CB -1.145 37.778 39.000 -0.128 0.000 0.984 33 F HN 0.268 nan 8.300 nan 0.000 0.477 34 A N -0.371 122.495 122.820 0.076 0.000 1.929 34 A HA -0.119 4.200 4.320 -0.002 0.000 0.216 34 A C 2.113 179.806 177.584 0.182 0.000 1.176 34 A CA 1.194 53.328 52.037 0.161 0.000 0.628 34 A CB -0.489 18.622 19.000 0.185 0.000 0.816 34 A HN 0.274 nan 8.150 nan 0.000 0.444 35 E N -0.653 119.546 120.200 -0.002 0.000 2.171 35 E HA -0.214 4.135 4.350 -0.002 0.000 0.197 35 E C 0.881 177.754 176.600 0.455 0.000 0.997 35 E CA 1.103 57.573 56.400 0.115 0.000 0.810 35 E CB -0.230 29.392 29.700 -0.130 0.000 0.738 35 E HN 0.925 nan 8.360 nan 0.000 0.467 36 W N -0.228 121.103 121.300 0.050 0.000 3.123 36 W HA 0.410 5.069 4.660 -0.002 0.000 0.383 36 W C 1.076 177.373 176.519 -0.370 0.000 1.102 36 W CA 0.201 57.489 57.345 -0.095 0.000 1.865 36 W CB -0.012 29.347 29.460 -0.169 0.000 1.111 36 W HN 0.179 nan 8.180 nan 0.000 0.621 37 G N -0.004 108.588 108.800 -0.347 0.000 2.144 37 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.218 37 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.218 37 G C 0.472 175.112 174.900 -0.433 0.000 0.988 37 G CA -0.295 44.150 45.100 -1.092 0.000 0.659 37 G HN 0.408 nan 8.290 nan 0.000 0.522 38 A N -0.100 122.661 122.820 -0.097 0.000 2.332 38 A HA 0.639 4.958 4.320 -0.002 0.000 0.258 38 A C 0.538 178.171 177.584 0.081 0.000 1.087 38 A CA 0.367 52.414 52.037 0.017 0.000 0.802 38 A CB 0.468 19.556 19.000 0.146 0.000 1.042 38 A HN 0.559 nan 8.150 nan 0.000 0.489 39 E N 1.140 121.379 120.200 0.065 0.000 2.052 39 E HA 0.440 4.789 4.350 -0.002 0.000 0.283 39 E C -1.430 175.269 176.600 0.164 0.000 1.071 39 E CA -0.218 56.261 56.400 0.132 0.000 0.851 39 E CB 0.466 30.167 29.700 0.002 0.000 1.066 39 E HN 0.338 nan 8.360 nan 0.000 0.396 40 V N 6.925 127.040 119.914 0.335 0.000 2.409 40 V HA 0.376 4.495 4.120 -0.002 0.000 0.291 40 V C 0.025 176.319 176.094 0.333 0.000 1.020 40 V CA -0.687 61.787 62.300 0.290 0.000 0.848 40 V CB 1.460 33.472 31.823 0.315 0.000 0.990 40 V HN 0.624 nan 8.190 nan 0.000 0.430 41 I N 4.374 125.049 120.570 0.175 0.000 2.339 41 I HA 0.330 4.499 4.170 -0.002 0.000 0.290 41 I C -0.836 175.215 176.117 -0.111 0.000 0.994 41 I CA -0.318 61.044 61.300 0.103 0.000 1.191 41 I CB 1.359 39.384 38.000 0.042 0.000 1.343 41 I HN 0.688 nan 8.210 nan 0.000 0.458 42 W N 9.318 130.371 121.300 -0.410 0.000 2.316 42 W HA 0.543 5.202 4.660 -0.002 0.000 0.308 42 W C -1.058 175.217 176.519 -0.406 0.000 1.106 42 W CA -1.425 55.400 57.345 -0.868 0.000 1.262 42 W CB 0.489 29.668 29.460 -0.469 0.000 1.233 42 W HN 0.248 nan 8.180 nan 0.000 0.447 43 I N 6.512 126.994 120.570 -0.145 0.000 2.331 43 I HA 0.226 4.395 4.170 -0.002 0.000 0.292 43 I C 0.332 176.398 176.117 -0.085 0.000 0.998 43 I CA -0.500 60.747 61.300 -0.089 0.000 1.267 43 I CB 1.067 39.083 38.000 0.027 0.000 1.386 43 I HN 0.331 nan 8.210 nan 0.000 0.476 44 E N 4.428 124.513 120.200 -0.192 0.000 2.263 44 E HA 0.312 4.661 4.350 -0.002 0.000 0.264 44 E C -0.684 175.914 176.600 -0.003 0.000 0.923 44 E CA -0.891 55.445 56.400 -0.107 0.000 0.802 44 E CB 2.058 31.623 29.700 -0.225 0.000 1.228 44 E HN 0.539 nan 8.360 nan 0.000 0.417 45 N N -0.430 118.287 118.700 0.028 0.000 2.260 45 N HA 0.005 4.744 4.740 -0.002 0.000 0.230 45 N C 0.927 176.497 175.510 0.101 0.000 1.323 45 N CA 0.369 53.442 53.050 0.039 0.000 0.897 45 N CB 0.626 39.133 38.487 0.034 0.000 1.146 45 N HN 0.412 nan 8.380 nan 0.000 0.460 46 V N 0.458 120.408 119.914 0.059 0.000 2.300 46 V HA 0.023 4.142 4.120 -0.002 0.000 0.241 46 V C 1.901 178.063 176.094 0.113 0.000 1.034 46 V CA 2.188 64.524 62.300 0.060 0.000 1.021 46 V CB -1.385 30.440 31.823 0.004 0.000 0.662 46 V HN 0.811 nan 8.190 nan 0.000 0.458 47 A N -1.597 121.264 122.820 0.068 0.000 1.935 47 A HA 0.336 4.655 4.320 -0.002 0.000 0.214 47 A C 1.534 179.150 177.584 0.052 0.000 1.178 47 A CA 1.582 53.654 52.037 0.058 0.000 0.640 47 A CB -0.727 18.292 19.000 0.031 0.000 0.825 47 A HN 1.488 nan 8.150 nan 0.000 0.447 48 W N -1.509 119.806 121.300 0.024 0.000 2.367 48 W HA 0.741 5.400 4.660 -0.002 0.000 0.369 48 W C 0.048 176.466 176.519 -0.168 0.000 1.276 48 W CA -0.891 56.433 57.345 -0.034 0.000 1.415 48 W CB 0.201 29.655 29.460 -0.010 0.000 1.306 48 W HN 0.800 nan 8.180 nan 0.000 0.669 49 A N 0.850 123.515 122.820 -0.259 0.000 2.515 49 A HA 0.536 4.855 4.320 -0.002 0.000 0.296 49 A C -0.512 176.988 177.584 -0.140 0.000 1.094 49 A CA -0.286 51.471 52.037 -0.468 0.000 0.718 49 A CB 1.113 19.666 19.000 -0.745 0.000 1.307 49 A HN 0.950 nan 8.150 nan 0.000 0.408 50 D N 1.300 121.683 120.400 -0.028 0.000 2.658 50 D HA -0.040 4.599 4.640 -0.002 0.000 0.230 50 D C 1.800 178.187 176.300 0.146 0.000 1.118 50 D CA 1.220 55.337 54.000 0.194 0.000 0.848 50 D CB 0.834 41.958 40.800 0.541 0.000 1.160 50 D HN 0.674 nan 8.370 nan 0.000 0.497 51 T N 2.001 116.634 114.554 0.133 0.000 2.849 51 T HA -0.235 4.114 4.350 -0.002 0.000 0.270 51 T C 2.156 176.923 174.700 0.112 0.000 1.066 51 T CA 0.699 62.860 62.100 0.102 0.000 1.130 51 T CB -0.197 68.732 68.868 0.102 0.000 0.864 51 T HN 0.441 nan 8.240 nan 0.000 0.481 52 I N 1.873 122.531 120.570 0.148 0.000 2.248 52 I HA -0.135 4.034 4.170 -0.002 0.000 0.248 52 I C 2.567 178.774 176.117 0.151 0.000 1.107 52 I CA 1.189 62.578 61.300 0.148 0.000 1.373 52 I CB -0.333 37.752 38.000 0.142 0.000 1.055 52 I HN 0.178 nan 8.210 nan 0.000 0.418 53 R N -0.640 119.959 120.500 0.164 0.000 2.316 53 R HA -0.129 4.210 4.340 -0.002 0.000 0.232 53 R C 2.019 178.380 176.300 0.102 0.000 1.137 53 R CA 1.181 57.366 56.100 0.142 0.000 1.012 53 R CB -0.487 29.887 30.300 0.124 0.000 0.859 53 R HN 0.310 nan 8.270 nan 0.000 0.474 54 V N 0.907 120.875 119.914 0.090 0.000 2.871 54 V HA -0.119 4.000 4.120 -0.002 0.000 0.256 54 V C 0.884 177.027 176.094 0.082 0.000 1.082 54 V CA 1.126 63.469 62.300 0.072 0.000 1.105 54 V CB -0.287 31.569 31.823 0.055 0.000 0.713 54 V HN 0.256 nan 8.190 nan 0.000 0.473 55 Q N 1.106 120.971 119.800 0.108 0.000 2.304 55 Q HA 0.160 4.499 4.340 -0.002 0.000 0.260 55 Q C -1.365 174.708 176.000 0.121 0.000 0.965 55 Q CA -1.754 54.125 55.803 0.127 0.000 0.898 55 Q CB 0.467 29.316 28.738 0.185 0.000 1.196 55 Q HN 0.237 nan 8.270 nan 0.000 0.402 56 P HA -0.063 nan 4.420 nan 0.000 0.222 56 P C -0.092 177.263 177.300 0.092 0.000 1.153 56 P CA 1.194 64.346 63.100 0.086 0.000 0.798 56 P CB 0.673 32.415 31.700 0.069 0.000 0.796 57 N N -2.762 116.014 118.700 0.125 0.000 2.428 57 N HA 0.002 4.740 4.740 -0.002 0.000 0.249 57 N C 1.470 177.091 175.510 0.186 0.000 1.092 57 N CA -0.314 52.813 53.050 0.128 0.000 0.833 57 N CB -0.695 37.854 38.487 0.103 0.000 1.575 57 N HN -0.156 nan 8.380 nan 0.000 0.476 58 Y N 3.258 123.614 120.300 0.093 0.000 2.139 58 Y HA -0.082 4.466 4.550 -0.002 0.000 0.282 58 Y C -1.190 174.779 175.900 0.116 0.000 1.179 58 Y CA 1.663 59.828 58.100 0.108 0.000 1.161 58 Y CB -1.092 37.428 38.460 0.099 0.000 0.970 58 Y HN 0.060 nan 8.280 nan 0.000 0.511 59 P HA -0.183 nan 4.420 nan 0.000 0.219 59 P C 1.339 178.598 177.300 -0.069 0.000 1.146 59 P CA 1.795 64.826 63.100 -0.115 0.000 0.808 59 P CB -0.127 31.604 31.700 0.052 0.000 0.779 60 Q N -0.983 118.848 119.800 0.051 0.000 2.124 60 Q HA -0.138 4.201 4.340 -0.002 0.000 0.202 60 Q C 2.111 178.255 176.000 0.240 0.000 0.977 60 Q CA 1.103 57.018 55.803 0.187 0.000 0.850 60 Q CB -1.033 27.854 28.738 0.250 0.000 0.901 60 Q HN 0.316 nan 8.270 nan 0.000 0.429 61 L N 0.786 122.097 121.223 0.147 0.000 2.049 61 L HA -0.060 4.279 4.340 -0.002 0.000 0.203 61 L C 2.233 178.952 176.870 -0.252 0.000 1.074 61 L CA 2.125 56.962 54.840 -0.006 0.000 0.749 61 L CB -0.633 41.485 42.059 0.098 0.000 0.907 61 L HN 0.168 nan 8.230 nan 0.000 0.439 62 S N -1.372 114.048 115.700 -0.466 0.000 2.561 62 S HA 0.049 4.518 4.470 -0.002 0.000 0.225 62 S C 1.545 175.930 174.600 -0.358 0.000 0.977 62 S CA 0.071 57.991 58.200 -0.468 0.000 0.926 62 S CB -0.291 62.423 63.200 -0.809 0.000 0.769 62 S HN 0.446 nan 8.310 nan 0.000 0.533 63 R N 1.509 121.822 120.500 -0.312 0.000 2.565 63 R HA 0.253 4.591 4.340 -0.002 0.000 0.347 63 R C 0.296 176.478 176.300 -0.198 0.000 1.010 63 R CA -0.175 55.735 56.100 -0.316 0.000 1.126 63 R CB 0.076 30.151 30.300 -0.374 0.000 1.331 63 R HN 0.689 nan 8.270 nan 0.000 0.552 64 R N 0.815 121.174 120.500 -0.236 0.000 2.738 64 R HA 0.097 4.436 4.340 -0.002 0.000 0.268 64 R C -0.284 175.826 176.300 -0.316 0.000 1.062 64 R CA -0.194 55.724 56.100 -0.303 0.000 1.158 64 R CB 0.221 30.235 30.300 -0.477 0.000 1.046 64 R HN -0.127 nan 8.270 nan 0.000 0.493 65 N N -1.015 117.382 118.700 -0.506 0.000 2.753 65 N HA -0.163 4.575 4.740 -0.002 0.000 0.251 65 N C -1.060 174.293 175.510 -0.261 0.000 1.097 65 N CA 1.293 53.990 53.050 -0.588 0.000 0.786 65 N CB -1.115 37.315 38.487 -0.095 0.000 1.137 65 N HN 0.533 nan 8.380 nan 0.000 0.566 66 L N 0.330 121.409 121.223 -0.239 0.000 2.334 66 L HA 0.399 4.738 4.340 -0.002 0.000 0.272 66 L C 0.551 177.357 176.870 -0.107 0.000 1.020 66 L CA -0.752 54.085 54.840 -0.004 0.000 0.812 66 L CB 1.272 43.432 42.059 0.169 0.000 1.264 66 L HN 0.124 nan 8.230 nan 0.000 0.439 67 H N 1.160 120.361 119.070 0.218 0.000 2.467 67 H HA 0.500 5.055 4.556 -0.002 0.000 0.326 67 H C -0.482 174.931 175.328 0.141 0.000 1.094 67 H CA -0.653 55.498 56.048 0.170 0.000 1.253 67 H CB 1.962 31.822 29.762 0.163 0.000 1.439 67 H HN 0.646 nan 8.280 nan 0.000 0.479 68 A N 4.609 127.522 122.820 0.156 0.000 2.292 68 A HA 0.447 4.766 4.320 -0.002 0.000 0.319 68 A C -0.599 176.930 177.584 -0.092 0.000 1.206 68 A CA -0.601 51.412 52.037 -0.040 0.000 0.835 68 A CB 0.802 19.706 19.000 -0.160 0.000 1.164 68 A HN 0.535 nan 8.150 nan 0.000 0.505 69 L N 1.925 123.045 121.223 -0.172 0.000 2.381 69 L HA 0.686 5.025 4.340 -0.002 0.000 0.268 69 L C -0.831 175.932 176.870 -0.179 0.000 0.997 69 L CA -0.181 54.578 54.840 -0.135 0.000 0.818 69 L CB 2.195 44.209 42.059 -0.074 0.000 1.310 69 L HN 0.602 nan 8.230 nan 0.000 0.416 70 S N 4.612 120.214 115.700 -0.162 0.000 2.733 70 S HA 0.850 5.319 4.470 -0.002 0.000 0.307 70 S C -0.355 174.180 174.600 -0.107 0.000 1.127 70 S CA -0.330 57.781 58.200 -0.148 0.000 1.097 70 S CB 1.100 64.139 63.200 -0.267 0.000 1.003 70 S HN 0.655 nan 8.310 nan 0.000 0.477 71 L N 3.212 124.383 121.223 -0.085 0.000 2.464 71 L HA 0.729 5.068 4.340 -0.002 0.000 0.266 71 L C -0.257 176.552 176.870 -0.103 0.000 0.965 71 L CA -1.163 53.628 54.840 -0.082 0.000 0.833 71 L CB 1.283 43.302 42.059 -0.067 0.000 1.296 71 L HN 0.624 nan 8.230 nan 0.000 0.405 72 N N 2.374 121.022 118.700 -0.087 0.000 2.406 72 N HA 0.316 5.055 4.740 -0.002 0.000 0.269 72 N C 1.019 176.424 175.510 -0.176 0.000 1.210 72 N CA 0.689 53.680 53.050 -0.097 0.000 0.966 72 N CB 1.248 39.711 38.487 -0.040 0.000 1.293 72 N HN 1.079 nan 8.380 nan 0.000 0.491 73 I N 2.288 122.635 120.570 -0.372 0.000 3.334 73 I HA 0.061 4.230 4.170 -0.002 0.000 0.282 73 I C 1.157 176.844 176.117 -0.716 0.000 1.313 73 I CA 0.823 61.748 61.300 -0.626 0.000 1.396 73 I CB -1.415 35.923 38.000 -1.104 0.000 1.054 73 I HN 0.487 nan 8.210 nan 0.000 0.495 74 F N -0.385 119.436 119.950 -0.215 0.000 2.720 74 F HA 0.288 4.814 4.527 -0.002 0.000 0.301 74 F C 1.250 176.990 175.800 -0.100 0.000 1.103 74 F CA -0.117 57.776 58.000 -0.178 0.000 1.291 74 F CB 0.509 39.384 39.000 -0.209 0.000 1.086 74 F HN -0.069 nan 8.300 nan 0.000 0.592 75 K N 1.639 122.072 120.400 0.054 0.000 2.211 75 K HA 0.165 4.484 4.320 -0.002 0.000 0.275 75 K C -0.224 176.385 176.600 0.016 0.000 1.024 75 K CA -0.186 56.121 56.287 0.034 0.000 0.887 75 K CB 1.457 33.969 32.500 0.019 0.000 1.084 75 K HN 0.049 nan 8.250 nan 0.000 0.463 76 D N 2.139 122.552 120.400 0.021 0.000 3.344 76 D HA -0.415 4.224 4.640 -0.002 0.000 0.544 76 D C 1.567 177.873 176.300 0.010 0.000 0.547 76 D CA 2.619 56.629 54.000 0.016 0.000 1.335 76 D CB -0.350 40.456 40.800 0.010 0.000 0.245 76 D HN 0.782 nan 8.370 nan 0.000 0.211 77 E N 0.406 120.607 120.200 0.001 0.000 2.158 77 E HA 0.197 4.546 4.350 -0.002 0.000 0.191 77 E C 2.274 178.866 176.600 -0.012 0.000 0.982 77 E CA 1.602 58.000 56.400 -0.005 0.000 0.823 77 E CB -1.213 28.483 29.700 -0.008 0.000 0.766 77 E HN 0.543 nan 8.360 nan 0.000 0.468 78 G N 0.543 109.332 108.800 -0.018 0.000 2.440 78 G HA2 -0.324 3.635 3.960 -0.002 0.000 0.218 78 G HA3 -0.324 3.635 3.960 -0.002 0.000 0.218 78 G C 1.860 176.741 174.900 -0.031 0.000 1.154 78 G CA 1.089 46.169 45.100 -0.033 0.000 0.767 78 G HN 0.488 nan 8.290 nan 0.000 0.552 79 R N 0.583 121.068 120.500 -0.024 0.000 2.081 79 R HA -0.026 4.313 4.340 -0.002 0.000 0.235 79 R C 2.798 179.109 176.300 0.018 0.000 1.131 79 R CA 1.920 58.017 56.100 -0.004 0.000 0.960 79 R CB -0.372 29.942 30.300 0.023 0.000 0.856 79 R HN 0.419 nan 8.270 nan 0.000 0.436 80 E N 0.220 120.420 120.200 -0.001 0.000 2.153 80 E HA -0.100 4.249 4.350 -0.002 0.000 0.194 80 E C 1.736 178.300 176.600 -0.059 0.000 0.988 80 E CA 1.274 57.661 56.400 -0.021 0.000 0.811 80 E CB -0.529 29.171 29.700 -0.001 0.000 0.746 80 E HN 0.661 nan 8.360 nan 0.000 0.466 81 A N -0.505 122.291 122.820 -0.040 0.000 1.898 81 A HA 0.214 4.533 4.320 -0.002 0.000 0.214 81 A C 2.165 179.696 177.584 -0.088 0.000 1.183 81 A CA 1.241 53.243 52.037 -0.059 0.000 0.622 81 A CB -0.499 18.479 19.000 -0.037 0.000 0.824 81 A HN 0.601 nan 8.150 nan 0.000 0.444 82 F N 0.764 120.596 119.950 -0.196 0.000 2.120 82 F HA -0.205 4.321 4.527 -0.001 0.000 0.300 82 F C 1.797 177.414 175.800 -0.305 0.000 1.095 82 F CA 1.850 59.701 58.000 -0.249 0.000 1.249 82 F CB -0.096 38.738 39.000 -0.277 0.000 0.995 82 F HN 0.149 nan 8.300 nan 0.000 0.480 83 L N 0.340 121.293 121.223 -0.450 0.000 2.109 83 L HA -0.128 4.211 4.340 -0.002 0.000 0.207 83 L C 2.914 179.405 176.870 -0.631 0.000 1.086 83 L CA 1.341 55.723 54.840 -0.763 0.000 0.760 83 L CB -1.209 40.251 42.059 -0.999 0.000 0.910 83 L HN 0.167 nan 8.230 nan 0.000 0.437 84 K N 0.488 120.675 120.400 -0.355 0.000 2.026 84 K HA -0.205 4.114 4.320 -0.002 0.000 0.208 84 K C 1.998 178.469 176.600 -0.215 0.000 1.048 84 K CA 1.830 58.005 56.287 -0.187 0.000 0.929 84 K CB -1.268 31.168 32.500 -0.106 0.000 0.713 84 K HN 0.187 nan 8.250 nan 0.000 0.439 85 L N 0.476 121.536 121.223 -0.273 0.000 2.013 85 L HA -0.150 4.189 4.340 -0.002 0.000 0.212 85 L C 2.413 179.085 176.870 -0.331 0.000 1.073 85 L CA 2.114 56.790 54.840 -0.274 0.000 0.753 85 L CB -0.418 41.475 42.059 -0.277 0.000 0.890 85 L HN 0.392 nan 8.230 nan 0.000 0.432 86 M N -0.189 119.103 119.600 -0.514 0.000 2.346 86 M HA -0.161 4.318 4.480 -0.002 0.000 0.263 86 M C 2.336 178.508 176.300 -0.214 0.000 1.064 86 M CA 1.885 56.907 55.300 -0.463 0.000 1.083 86 M CB -1.734 30.480 32.600 -0.644 0.000 1.399 86 M HN 0.598 nan 8.290 nan 0.000 0.435 87 E N -0.051 120.057 120.200 -0.153 0.000 2.274 87 E HA -0.025 4.324 4.350 -0.002 0.000 0.194 87 E C 1.847 178.413 176.600 -0.057 0.000 0.996 87 E CA 1.699 58.068 56.400 -0.052 0.000 0.840 87 E CB -1.186 28.509 29.700 -0.009 0.000 0.772 87 E HN 0.715 nan 8.360 nan 0.000 0.491 88 T N -0.647 113.854 114.554 -0.089 0.000 3.040 88 T HA 0.286 4.635 4.350 -0.002 0.000 0.250 88 T C 1.222 175.877 174.700 -0.076 0.000 1.058 88 T CA 0.702 62.758 62.100 -0.073 0.000 0.988 88 T CB 0.125 68.947 68.868 -0.077 0.000 0.993 88 T HN 0.251 nan 8.240 nan 0.000 0.519 89 T N 1.886 116.383 114.554 -0.094 0.000 2.856 89 T HA 0.309 4.658 4.350 -0.002 0.000 0.292 89 T C 0.195 174.867 174.700 -0.047 0.000 0.980 89 T CA -0.613 61.437 62.100 -0.084 0.000 1.091 89 T CB 1.497 70.293 68.868 -0.120 0.000 0.936 89 T HN 0.168 nan 8.240 nan 0.000 0.503 90 D N 1.500 121.874 120.400 -0.043 0.000 2.201 90 D HA 0.158 4.797 4.640 -0.002 0.000 0.209 90 D C 0.449 176.739 176.300 -0.018 0.000 0.961 90 D CA 0.925 54.910 54.000 -0.025 0.000 0.861 90 D CB 0.572 41.352 40.800 -0.034 0.000 0.997 90 D HN 0.422 nan 8.370 nan 0.000 0.486 91 I N 0.334 120.869 120.570 -0.059 0.000 2.534 91 I HA 0.229 4.398 4.170 -0.002 0.000 0.288 91 I C -1.366 174.752 176.117 0.001 0.000 1.077 91 I CA -0.939 60.315 61.300 -0.077 0.000 1.051 91 I CB 2.697 40.534 38.000 -0.271 0.000 1.234 91 I HN -0.262 nan 8.210 nan 0.000 0.425 92 F N 7.918 127.792 119.950 -0.126 0.000 2.477 92 F HA 0.624 5.149 4.527 -0.002 0.000 0.335 92 F C -1.080 174.650 175.800 -0.116 0.000 1.130 92 F CA -0.981 56.961 58.000 -0.098 0.000 0.948 92 F CB 1.047 39.997 39.000 -0.084 0.000 1.154 92 F HN 0.114 nan 8.300 nan 0.000 0.439 93 I N 5.462 125.699 120.570 -0.554 0.000 2.339 93 I HA 0.343 4.512 4.170 -0.002 0.000 0.290 93 I C -0.908 174.696 176.117 -0.855 0.000 0.994 93 I CA -0.621 60.347 61.300 -0.553 0.000 1.191 93 I CB 1.425 39.310 38.000 -0.191 0.000 1.343 93 I HN 0.620 nan 8.210 nan 0.000 0.458 94 E N 5.159 124.842 120.200 -0.861 0.000 2.272 94 E HA 0.761 5.110 4.350 -0.002 0.000 0.269 94 E C -1.418 175.022 176.600 -0.267 0.000 0.877 94 E CA -0.935 55.080 56.400 -0.642 0.000 0.755 94 E CB 2.156 31.200 29.700 -1.093 0.000 1.192 94 E HN 0.618 nan 8.360 nan 0.000 0.422 95 A N 2.617 125.395 122.820 -0.070 0.000 2.285 95 A HA 0.716 5.035 4.320 -0.002 0.000 0.310 95 A C -0.488 177.145 177.584 0.081 0.000 1.266 95 A CA -0.180 51.852 52.037 -0.009 0.000 0.832 95 A CB 0.299 19.284 19.000 -0.025 0.000 1.163 95 A HN 0.939 nan 8.150 nan 0.000 0.499 96 S N 1.572 117.333 115.700 0.101 0.000 2.705 96 S HA 0.600 5.069 4.470 -0.002 0.000 0.280 96 S C -0.755 173.902 174.600 0.094 0.000 1.174 96 S CA -1.050 57.235 58.200 0.142 0.000 0.823 96 S CB 0.741 64.117 63.200 0.294 0.000 1.162 96 S HN 0.451 nan 8.310 nan 0.000 0.487 97 K N 1.906 122.358 120.400 0.087 0.000 2.245 97 K HA 0.480 4.799 4.320 -0.002 0.000 0.281 97 K C 1.133 177.790 176.600 0.094 0.000 1.079 97 K CA 1.047 57.381 56.287 0.078 0.000 1.000 97 K CB -0.657 31.876 32.500 0.055 0.000 1.038 97 K HN 1.077 nan 8.250 nan 0.000 0.430 98 G N 4.590 113.453 108.800 0.105 0.000 2.564 98 G HA2 -0.255 3.704 3.960 -0.002 0.000 0.273 98 G HA3 -0.255 3.704 3.960 -0.002 0.000 0.273 98 G C -2.143 172.809 174.900 0.087 0.000 1.242 98 G CA -0.496 44.660 45.100 0.094 0.000 0.951 98 G HN 0.510 nan 8.290 nan 0.000 0.564 99 P HA 0.436 nan 4.420 nan 0.000 0.218 99 P C 0.734 178.097 177.300 0.105 0.000 1.793 99 P CA 0.889 64.024 63.100 0.058 0.000 0.941 99 P CB 0.281 32.001 31.700 0.032 0.000 1.919 100 A N 0.076 122.993 122.820 0.162 0.000 1.968 100 A HA -0.118 4.201 4.320 -0.002 0.000 0.217 100 A C 1.669 179.320 177.584 0.111 0.000 1.169 100 A CA 0.984 53.087 52.037 0.110 0.000 0.638 100 A CB -1.244 17.826 19.000 0.118 0.000 0.812 100 A HN 0.157 nan 8.150 nan 0.000 0.446 101 F N 0.271 120.292 119.950 0.119 0.000 2.113 101 F HA -0.067 4.459 4.527 -0.002 0.000 0.297 101 F C 2.787 178.668 175.800 0.135 0.000 1.103 101 F CA 1.017 59.156 58.000 0.231 0.000 1.248 101 F CB -0.590 38.620 39.000 0.350 0.000 0.999 101 F HN 0.255 nan 8.300 nan 0.000 0.475 102 A N 0.010 122.991 122.820 0.269 0.000 1.902 102 A HA -0.236 4.083 4.320 -0.002 0.000 0.217 102 A C 2.304 179.926 177.584 0.064 0.000 1.181 102 A CA 1.846 53.968 52.037 0.142 0.000 0.623 102 A CB -0.873 18.177 19.000 0.083 0.000 0.818 102 A HN 0.362 nan 8.150 nan 0.000 0.443 103 R N -0.405 120.111 120.500 0.025 0.000 2.105 103 R HA -0.097 4.242 4.340 -0.002 0.000 0.239 103 R C 1.780 178.027 176.300 -0.088 0.000 1.135 103 R CA 1.698 57.780 56.100 -0.030 0.000 0.967 103 R CB -0.198 30.075 30.300 -0.045 0.000 0.861 103 R HN 0.448 nan 8.270 nan 0.000 0.442 104 R N -1.238 119.161 120.500 -0.168 0.000 2.334 104 R HA 0.133 4.472 4.340 -0.002 0.000 0.220 104 R C 0.747 176.983 176.300 -0.107 0.000 0.917 104 R CA 0.520 56.444 56.100 -0.293 0.000 1.073 104 R CB 0.835 30.631 30.300 -0.839 0.000 1.056 104 R HN 0.595 nan 8.270 nan 0.000 0.506 105 G N 0.805 109.612 108.800 0.010 0.000 2.238 105 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.217 105 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.217 105 G C 0.293 175.284 174.900 0.151 0.000 0.996 105 G CA -0.520 44.625 45.100 0.075 0.000 0.632 105 G HN 0.223 nan 8.290 nan 0.000 0.503 106 I N 3.715 124.428 120.570 0.239 0.000 2.213 106 I HA 0.215 4.384 4.170 -0.002 0.000 0.295 106 I C 0.878 177.177 176.117 0.303 0.000 1.172 106 I CA -0.147 61.346 61.300 0.322 0.000 1.443 106 I CB -0.153 38.136 38.000 0.481 0.000 1.491 106 I HN 0.010 nan 8.210 nan 0.000 0.652 107 T N 2.334 116.997 114.554 0.182 0.000 2.766 107 T HA 0.007 4.356 4.350 -0.002 0.000 0.295 107 T C 1.093 175.812 174.700 0.033 0.000 1.024 107 T CA -0.378 61.790 62.100 0.113 0.000 1.018 107 T CB 0.925 69.840 68.868 0.078 0.000 1.002 107 T HN 0.412 nan 8.240 nan 0.000 0.532 108 D N 1.272 121.615 120.400 -0.096 0.000 2.144 108 D HA -0.016 4.623 4.640 -0.002 0.000 0.200 108 D C 2.432 178.450 176.300 -0.469 0.000 0.978 108 D CA 1.476 55.184 54.000 -0.486 0.000 0.833 108 D CB -0.456 39.930 40.800 -0.691 0.000 0.961 108 D HN 0.794 nan 8.370 nan 0.000 0.470 109 E N 0.827 120.990 120.200 -0.062 0.000 2.077 109 E HA -0.134 4.215 4.350 -0.002 0.000 0.193 109 E C 2.343 179.021 176.600 0.130 0.000 0.989 109 E CA 1.133 57.625 56.400 0.154 0.000 0.800 109 E CB -1.026 28.766 29.700 0.154 0.000 0.746 109 E HN 0.157 nan 8.360 nan 0.000 0.452 110 V N 0.696 120.666 119.914 0.094 0.000 2.295 110 V HA -0.230 3.889 4.120 -0.002 0.000 0.246 110 V C 2.763 178.966 176.094 0.182 0.000 1.049 110 V CA 1.859 64.243 62.300 0.140 0.000 1.024 110 V CB -0.422 31.495 31.823 0.158 0.000 0.648 110 V HN 0.548 nan 8.190 nan 0.000 0.447 111 L N -1.591 119.675 121.223 0.071 0.000 2.046 111 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 111 L C 2.494 179.419 176.870 0.093 0.000 1.077 111 L CA 1.627 56.477 54.840 0.016 0.000 0.747 111 L CB -0.534 41.435 42.059 -0.150 0.000 0.896 111 L HN 0.423 nan 8.230 nan 0.000 0.432 112 W N 0.287 121.645 121.300 0.096 0.000 2.519 112 W HA -0.120 4.539 4.660 -0.001 0.000 0.266 112 W C 2.823 179.355 176.519 0.021 0.000 1.253 112 W CA 1.325 58.702 57.345 0.054 0.000 1.274 112 W CB -1.039 28.451 29.460 0.050 0.000 1.114 112 W HN 0.335 nan 8.180 nan 0.000 0.596 113 Q N -0.277 119.643 119.800 0.200 0.000 2.167 113 Q HA -0.177 4.162 4.340 -0.002 0.000 0.202 113 Q C 1.772 177.711 176.000 -0.102 0.000 0.970 113 Q CA 1.729 57.543 55.803 0.019 0.000 0.855 113 Q CB -1.239 27.462 28.738 -0.063 0.000 0.911 113 Q HN 0.458 nan 8.270 nan 0.000 0.438 114 H N -0.970 118.132 119.070 0.053 0.000 2.482 114 H HA 0.122 4.677 4.556 -0.002 0.000 0.286 114 H C 0.056 175.390 175.328 0.010 0.000 1.017 114 H CA 1.118 57.167 56.048 0.003 0.000 1.322 114 H CB 0.805 30.535 29.762 -0.055 0.000 1.426 114 H HN 0.502 nan 8.280 nan 0.000 0.546 115 N N 0.017 118.818 118.700 0.168 0.000 2.793 115 N HA 0.052 4.791 4.740 -0.002 0.000 0.251 115 N C -2.349 173.300 175.510 0.232 0.000 1.308 115 N CA -1.429 51.705 53.050 0.140 0.000 0.781 115 N CB 1.256 39.798 38.487 0.092 0.000 1.439 115 N HN -0.123 nan 8.380 nan 0.000 0.562 116 P HA -0.107 nan 4.420 nan 0.000 0.223 116 P C 0.501 177.762 177.300 -0.066 0.000 1.144 116 P CA 1.108 64.229 63.100 0.034 0.000 0.783 116 P CB 0.549 32.232 31.700 -0.029 0.000 0.771 117 K N -1.118 119.300 120.400 0.031 0.000 2.356 117 K HA 0.077 4.396 4.320 -0.002 0.000 0.195 117 K C 0.872 177.539 176.600 0.112 0.000 1.037 117 K CA -0.484 55.811 56.287 0.013 0.000 1.014 117 K CB -0.245 32.257 32.500 0.004 0.000 0.815 117 K HN 0.083 nan 8.250 nan 0.000 0.507 118 L N 2.425 123.789 121.223 0.235 0.000 2.615 118 L HA -0.091 4.247 4.340 -0.002 0.000 0.284 118 L C -0.397 176.679 176.870 0.344 0.000 1.237 118 L CA 0.573 55.568 54.840 0.259 0.000 0.905 118 L CB 0.433 42.640 42.059 0.247 0.000 1.149 118 L HN -0.217 nan 8.230 nan 0.000 0.499 119 V N 7.558 127.590 119.914 0.195 0.000 2.406 119 V HA 0.291 4.410 4.120 -0.002 0.000 0.272 119 V C 0.349 176.509 176.094 0.110 0.000 1.043 119 V CA -0.223 62.180 62.300 0.173 0.000 0.915 119 V CB 0.797 32.680 31.823 0.101 0.000 0.988 119 V HN 0.544 nan 8.190 nan 0.000 0.466 120 I N 4.531 125.156 120.570 0.090 0.000 2.355 120 I HA 0.652 4.821 4.170 -0.002 0.000 0.288 120 I C 0.329 176.319 176.117 -0.212 0.000 0.999 120 I CA -0.402 60.832 61.300 -0.109 0.000 1.163 120 I CB 1.648 39.526 38.000 -0.203 0.000 1.316 120 I HN 0.620 nan 8.210 nan 0.000 0.454 121 A N 6.268 128.897 122.820 -0.319 0.000 2.256 121 A HA 0.513 4.832 4.320 -0.002 0.000 0.317 121 A C -0.643 176.703 177.584 -0.396 0.000 1.318 121 A CA -0.520 51.368 52.037 -0.247 0.000 0.894 121 A CB 0.099 19.017 19.000 -0.137 0.000 1.165 121 A HN 0.672 nan 8.150 nan 0.000 0.525 122 H N 3.021 122.020 119.070 -0.117 0.000 2.594 122 H HA 0.363 4.918 4.556 -0.002 0.000 0.304 122 H C -0.995 174.280 175.328 -0.088 0.000 1.068 122 H CA -0.035 55.937 56.048 -0.127 0.000 1.308 122 H CB 1.295 31.018 29.762 -0.065 0.000 1.409 122 H HN 0.508 nan 8.280 nan 0.000 0.460 123 L N 3.259 124.479 121.223 -0.005 0.000 2.296 123 L HA 0.286 4.625 4.340 -0.002 0.000 0.286 123 L C 0.048 176.914 176.870 -0.006 0.000 1.023 123 L CA -0.246 54.581 54.840 -0.021 0.000 0.812 123 L CB 1.251 43.274 42.059 -0.060 0.000 1.223 123 L HN 0.662 nan 8.230 nan 0.000 0.421 124 S N 0.799 116.492 115.700 -0.013 0.000 2.671 124 S HA 0.525 4.994 4.470 -0.002 0.000 0.277 124 S C 0.540 175.104 174.600 -0.060 0.000 1.165 124 S CA -0.205 57.992 58.200 -0.005 0.000 0.822 124 S CB 1.305 64.537 63.200 0.053 0.000 1.150 124 S HN 0.577 nan 8.310 nan 0.000 0.479 125 G N -0.156 108.597 108.800 -0.078 0.000 2.394 125 G HA2 0.116 4.075 3.960 -0.002 0.000 0.215 125 G HA3 0.116 4.075 3.960 -0.002 0.000 0.215 125 G C 0.390 174.996 174.900 -0.490 0.000 1.165 125 G CA 0.540 45.433 45.100 -0.345 0.000 0.784 125 G HN 0.606 nan 8.290 nan 0.000 0.535 126 F N 0.028 120.039 119.950 0.101 0.000 2.798 126 F HA 0.470 4.996 4.527 -0.002 0.000 0.328 126 F C 1.122 177.017 175.800 0.158 0.000 1.098 126 F CA 0.123 58.240 58.000 0.195 0.000 1.172 126 F CB 1.203 40.195 39.000 -0.014 0.000 1.072 126 F HN 0.421 nan 8.300 nan 0.000 0.555 127 G N 0.473 109.371 108.800 0.163 0.000 2.541 127 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.686 127 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.686 127 G C -0.053 174.868 174.900 0.034 0.000 1.286 127 G CA -0.698 44.422 45.100 0.033 0.000 0.894 127 G HN -0.111 nan 8.290 nan 0.000 0.575 128 Q N -0.996 118.812 119.800 0.013 0.000 2.389 128 Q HA 0.163 4.502 4.340 -0.002 0.000 0.204 128 Q C 0.679 176.778 176.000 0.165 0.000 0.944 128 Q CA 1.917 57.757 55.803 0.062 0.000 0.908 128 Q CB 0.119 28.880 28.738 0.038 0.000 1.002 128 Q HN 0.906 nan 8.270 nan 0.000 0.493 129 Y N -4.018 116.320 120.300 0.064 0.000 2.638 129 Y HA 0.673 5.222 4.550 -0.002 0.000 0.335 129 Y C 0.088 176.053 175.900 0.107 0.000 1.155 129 Y CA -0.579 57.563 58.100 0.069 0.000 1.046 129 Y CB 0.802 39.292 38.460 0.051 0.000 1.303 129 Y HN -0.049 nan 8.280 nan 0.000 0.460 130 G N 0.635 109.543 108.800 0.181 0.000 2.579 130 G HA2 0.381 4.340 3.960 -0.002 0.000 0.080 130 G HA3 0.381 4.340 3.960 -0.002 0.000 0.080 130 G C -0.859 174.135 174.900 0.157 0.000 1.040 130 G CA -0.135 45.033 45.100 0.113 0.000 1.118 130 G HN 1.265 nan 8.290 nan 0.000 0.485 131 T N -1.174 113.462 114.554 0.137 0.000 2.944 131 T HA 0.628 4.977 4.350 -0.002 0.000 0.284 131 T C 0.833 175.565 174.700 0.054 0.000 1.010 131 T CA 0.434 62.600 62.100 0.110 0.000 1.025 131 T CB 2.552 71.506 68.868 0.143 0.000 1.079 131 T HN 0.456 nan 8.240 nan 0.000 0.516 132 E N 0.057 120.264 120.200 0.012 0.000 2.153 132 E HA -0.171 4.178 4.350 -0.002 0.000 0.194 132 E C 1.926 178.457 176.600 -0.115 0.000 0.988 132 E CA 1.174 57.553 56.400 -0.035 0.000 0.811 132 E CB 0.025 29.706 29.700 -0.032 0.000 0.746 132 E HN 0.907 nan 8.360 nan 0.000 0.466 133 E N -0.326 119.767 120.200 -0.178 0.000 2.110 133 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 133 E C 1.081 177.307 176.600 -0.624 0.000 0.988 133 E CA 1.217 57.368 56.400 -0.415 0.000 0.804 133 E CB 0.111 29.495 29.700 -0.526 0.000 0.745 133 E HN 0.328 nan 8.360 nan 0.000 0.458 134 Y N -1.111 119.014 120.300 -0.291 0.000 2.581 134 Y HA 0.179 4.728 4.550 -0.002 0.000 0.271 134 Y C 2.374 177.982 175.900 -0.487 0.000 1.100 134 Y CA 0.655 58.394 58.100 -0.603 0.000 1.281 134 Y CB 0.045 38.093 38.460 -0.687 0.000 1.237 134 Y HN -0.033 nan 8.280 nan 0.000 0.514 135 T N 0.591 115.119 114.554 -0.043 0.000 2.759 135 T HA -0.144 4.205 4.350 -0.002 0.000 0.269 135 T C 1.272 176.001 174.700 0.047 0.000 1.042 135 T CA 1.599 63.730 62.100 0.051 0.000 1.140 135 T CB -0.249 68.660 68.868 0.068 0.000 0.864 135 T HN 0.305 nan 8.240 nan 0.000 0.455 136 N N 0.922 119.610 118.700 -0.020 0.000 2.268 136 N HA 0.211 4.950 4.740 -0.002 0.000 0.204 136 N C -0.110 175.393 175.510 -0.011 0.000 1.124 136 N CA 0.008 53.057 53.050 -0.001 0.000 0.838 136 N CB 0.205 38.681 38.487 -0.018 0.000 0.994 136 N HN 0.402 nan 8.380 nan 0.000 0.489 137 L N 2.533 123.725 121.223 -0.053 0.000 2.397 137 L HA 0.244 4.582 4.340 -0.002 0.000 0.271 137 L C -1.746 175.199 176.870 0.124 0.000 1.148 137 L CA -1.394 53.421 54.840 -0.041 0.000 0.825 137 L CB 0.314 42.215 42.059 -0.263 0.000 1.117 137 L HN -0.133 nan 8.230 nan 0.000 0.456 138 P HA 0.284 nan 4.420 nan 0.000 0.274 138 P C -1.243 176.134 177.300 0.128 0.000 1.237 138 P CA -0.348 62.798 63.100 0.077 0.000 0.793 138 P CB 1.358 33.097 31.700 0.065 0.000 0.977 139 A N 1.533 124.334 122.820 -0.030 0.000 2.549 139 A HA 0.725 5.044 4.320 -0.002 0.000 0.297 139 A C -1.766 175.654 177.584 -0.272 0.000 1.061 139 A CA -0.473 51.543 52.037 -0.034 0.000 0.690 139 A CB 1.102 20.038 19.000 -0.106 0.000 1.287 139 A HN 0.455 nan 8.150 nan 0.000 0.402 140 Y N -0.131 120.175 120.300 0.011 0.000 2.665 140 Y HA 0.352 4.901 4.550 -0.002 0.000 0.336 140 Y C 1.593 177.491 175.900 -0.003 0.000 1.085 140 Y CA 0.000 58.091 58.100 -0.015 0.000 1.096 140 Y CB 1.519 39.972 38.460 -0.013 0.000 1.301 140 Y HN 0.930 nan 8.280 nan 0.000 0.493 141 N N -0.244 118.561 118.700 0.175 0.000 2.073 141 N HA -0.272 4.467 4.740 -0.002 0.000 0.199 141 N C 1.329 176.940 175.510 0.168 0.000 1.023 141 N CA 2.959 56.091 53.050 0.138 0.000 0.880 141 N CB -0.437 38.161 38.487 0.186 0.000 1.052 141 N HN 0.722 nan 8.380 nan 0.000 0.449 142 T N -0.412 114.271 114.554 0.214 0.000 2.788 142 T HA -0.025 4.324 4.350 -0.002 0.000 0.268 142 T C 1.675 176.482 174.700 0.179 0.000 1.044 142 T CA 1.160 63.381 62.100 0.201 0.000 1.139 142 T CB -0.241 68.747 68.868 0.200 0.000 0.867 142 T HN 0.176 nan 8.240 nan 0.000 0.454 143 I N 1.542 122.217 120.570 0.175 0.000 2.252 143 I HA -0.054 4.115 4.170 -0.002 0.000 0.245 143 I C 2.607 178.798 176.117 0.122 0.000 1.102 143 I CA 0.777 62.175 61.300 0.164 0.000 1.385 143 I CB -0.783 37.318 38.000 0.169 0.000 1.064 143 I HN 0.154 nan 8.210 nan 0.000 0.414 144 A N -0.514 122.343 122.820 0.061 0.000 1.930 144 A HA -0.212 4.107 4.320 -0.002 0.000 0.217 144 A C 2.247 179.911 177.584 0.134 0.000 1.175 144 A CA 1.301 53.367 52.037 0.049 0.000 0.627 144 A CB -0.534 18.459 19.000 -0.011 0.000 0.815 144 A HN 0.490 nan 8.150 nan 0.000 0.443 145 Q N -0.576 119.313 119.800 0.149 0.000 2.050 145 Q HA -0.130 4.209 4.340 -0.002 0.000 0.202 145 Q C 2.489 178.618 176.000 0.215 0.000 0.980 145 Q CA 1.372 57.299 55.803 0.207 0.000 0.840 145 Q CB -0.396 28.486 28.738 0.240 0.000 0.898 145 Q HN 0.675 nan 8.270 nan 0.000 0.424 146 A N 0.565 123.505 122.820 0.200 0.000 1.883 146 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 146 A C 1.792 179.506 177.584 0.218 0.000 1.186 146 A CA 1.297 53.450 52.037 0.194 0.000 0.624 146 A CB -0.711 18.410 19.000 0.203 0.000 0.822 146 A HN 0.411 nan 8.150 nan 0.000 0.444 147 F N 1.134 121.130 119.950 0.076 0.000 2.615 147 F HA 0.001 4.527 4.527 -0.002 0.000 0.297 147 F C 2.310 178.134 175.800 0.039 0.000 1.124 147 F CA 1.343 59.363 58.000 0.033 0.000 1.451 147 F CB 0.117 39.118 39.000 0.003 0.000 1.103 147 F HN 0.281 nan 8.300 nan 0.000 0.569 148 S N -1.319 114.473 115.700 0.154 0.000 2.556 148 S HA 0.332 4.801 4.470 -0.002 0.000 0.216 148 S C 1.707 176.375 174.600 0.114 0.000 0.970 148 S CA 0.288 58.578 58.200 0.149 0.000 0.912 148 S CB -0.065 63.251 63.200 0.193 0.000 0.790 148 S HN 0.592 nan 8.310 nan 0.000 0.504 149 G N 0.510 109.357 108.800 0.078 0.000 2.162 149 G HA2 -0.391 3.568 3.960 -0.002 0.000 0.260 149 G HA3 -0.391 3.568 3.960 -0.002 0.000 0.260 149 G C 0.311 175.272 174.900 0.102 0.000 0.976 149 G CA 0.532 45.663 45.100 0.051 0.000 0.655 149 G HN 0.555 nan 8.290 nan 0.000 0.533 150 Y N 0.092 120.411 120.300 0.032 0.000 2.243 150 Y HA 0.307 4.856 4.550 -0.002 0.000 0.293 150 Y C 2.708 178.632 175.900 0.040 0.000 1.124 150 Y CA 1.950 60.074 58.100 0.039 0.000 1.159 150 Y CB -0.253 38.242 38.460 0.058 0.000 1.008 150 Y HN 0.308 nan 8.280 nan 0.000 0.527 151 L N -0.682 120.657 121.223 0.193 0.000 1.989 151 L HA -0.234 4.105 4.340 -0.002 0.000 0.211 151 L C 2.243 179.124 176.870 0.018 0.000 1.071 151 L CA 1.575 56.484 54.840 0.116 0.000 0.749 151 L CB -0.512 41.625 42.059 0.130 0.000 0.890 151 L HN 0.269 nan 8.230 nan 0.000 0.431 152 I N -0.100 120.472 120.570 0.003 0.000 2.530 152 I HA -0.333 3.836 4.170 -0.002 0.000 0.257 152 I C 2.272 178.336 176.117 -0.088 0.000 1.179 152 I CA 1.556 62.831 61.300 -0.042 0.000 1.440 152 I CB -0.230 37.740 38.000 -0.049 0.000 1.087 152 I HN 0.402 nan 8.210 nan 0.000 0.440 153 Q N -0.425 119.302 119.800 -0.123 0.000 2.424 153 Q HA 0.073 4.412 4.340 -0.002 0.000 0.204 153 Q C 0.289 176.176 176.000 -0.189 0.000 0.933 153 Q CA 0.121 55.817 55.803 -0.178 0.000 0.929 153 Q CB 0.118 28.718 28.738 -0.229 0.000 1.037 153 Q HN 0.501 nan 8.270 nan 0.000 0.511 154 N N 0.016 118.624 118.700 -0.154 0.000 2.430 154 N HA 0.441 5.180 4.740 -0.002 0.000 0.298 154 N C 0.051 175.512 175.510 -0.081 0.000 1.130 154 N CA 0.656 53.633 53.050 -0.122 0.000 0.894 154 N CB 1.873 40.311 38.487 -0.082 0.000 1.209 154 N HN 0.202 nan 8.380 nan 0.000 0.503 155 G N 0.964 109.718 108.800 -0.076 0.000 2.549 155 G HA2 -0.184 3.775 3.960 -0.002 0.000 0.404 155 G HA3 -0.184 3.775 3.960 -0.002 0.000 0.404 155 G C -1.064 173.785 174.900 -0.084 0.000 1.292 155 G CA -0.700 44.358 45.100 -0.070 0.000 0.935 155 G HN 0.556 nan 8.290 nan 0.000 0.512 156 D N -1.189 119.166 120.400 -0.076 0.000 2.423 156 D HA 0.435 5.074 4.640 -0.002 0.000 0.255 156 D C 2.178 178.430 176.300 -0.080 0.000 1.174 156 D CA 0.108 54.061 54.000 -0.078 0.000 1.008 156 D CB 1.686 42.447 40.800 -0.065 0.000 1.101 156 D HN 0.267 nan 8.370 nan 0.000 0.516 157 V N 1.412 121.278 119.914 -0.080 0.000 2.250 157 V HA -0.269 3.850 4.120 -0.002 0.000 0.253 157 V C 1.557 177.612 176.094 -0.065 0.000 1.065 157 V CA 1.949 64.202 62.300 -0.078 0.000 1.039 157 V CB -0.342 31.440 31.823 -0.068 0.000 0.647 157 V HN 0.575 nan 8.190 nan 0.000 0.446 158 D N -1.373 118.995 120.400 -0.053 0.000 2.350 158 D HA 0.103 4.742 4.640 -0.002 0.000 0.213 158 D C 0.943 177.219 176.300 -0.040 0.000 1.031 158 D CA 0.337 54.311 54.000 -0.043 0.000 0.861 158 D CB 0.490 41.269 40.800 -0.036 0.000 0.926 158 D HN 0.411 nan 8.370 nan 0.000 0.520 159 Q N 1.155 120.928 119.800 -0.046 0.000 2.533 159 Q HA 0.251 4.590 4.340 -0.002 0.000 0.251 159 Q C -2.790 173.184 176.000 -0.044 0.000 0.966 159 Q CA -1.967 53.812 55.803 -0.041 0.000 0.714 159 Q CB 2.299 31.013 28.738 -0.040 0.000 1.284 159 Q HN -0.125 nan 8.270 nan 0.000 0.478 160 P HA 0.293 nan 4.420 nan 0.000 0.274 160 P C -0.643 176.644 177.300 -0.021 0.000 1.231 160 P CA -0.171 62.908 63.100 -0.035 0.000 0.790 160 P CB 0.745 32.428 31.700 -0.028 0.000 0.951 161 M N -0.792 118.800 119.600 -0.014 0.000 2.643 161 M HA 0.559 5.038 4.480 -0.002 0.000 0.276 161 M C -3.300 173.023 176.300 0.038 0.000 1.200 161 M CA -2.567 52.734 55.300 0.002 0.000 0.863 161 M CB 1.820 34.404 32.600 -0.026 0.000 1.711 161 M HN -0.099 nan 8.290 nan 0.000 0.492 162 P HA 0.271 nan 4.420 nan 0.000 0.269 162 P C -0.607 176.791 177.300 0.163 0.000 1.209 162 P CA -0.013 63.175 63.100 0.147 0.000 0.776 162 P CB 0.517 32.326 31.700 0.181 0.000 0.876 163 A N 2.937 125.890 122.820 0.221 0.000 2.445 163 A HA 0.408 4.727 4.320 -0.002 0.000 0.242 163 A C -0.576 177.145 177.584 0.227 0.000 1.075 163 A CA 0.429 52.603 52.037 0.228 0.000 0.777 163 A CB -0.634 18.581 19.000 0.358 0.000 1.013 163 A HN 0.541 nan 8.150 nan 0.000 0.493 164 F N 2.445 122.378 119.950 -0.027 0.000 2.601 164 F HA 0.634 5.160 4.527 -0.002 0.000 0.309 164 F C -2.219 173.486 175.800 -0.160 0.000 1.089 164 F CA -1.793 56.123 58.000 -0.139 0.000 0.940 164 F CB 2.234 41.138 39.000 -0.160 0.000 1.273 164 F HN 0.476 nan 8.300 nan 0.000 0.450 165 P HA 0.299 nan 4.420 nan 0.000 0.293 165 P C -1.401 175.374 177.300 -0.875 0.000 1.313 165 P CA -0.059 61.830 63.100 -2.018 0.000 0.787 165 P CB 0.283 31.037 31.700 -1.577 0.000 0.910 166 Y N 0.278 120.364 120.300 -0.356 0.000 3.491 166 Y HA -0.287 4.262 4.550 -0.002 0.000 0.215 166 Y C 1.759 177.643 175.900 -0.027 0.000 1.219 166 Y CA 0.953 58.982 58.100 -0.117 0.000 1.485 166 Y CB -3.229 35.135 38.460 -0.160 0.000 1.450 166 Y HN 0.328 nan 8.280 nan 0.000 0.603 167 T N -0.875 113.723 114.554 0.074 0.000 2.649 167 T HA -0.334 4.015 4.350 -0.002 0.000 0.268 167 T C 2.061 176.810 174.700 0.082 0.000 1.036 167 T CA 2.203 64.341 62.100 0.062 0.000 1.157 167 T CB -0.342 68.596 68.868 0.116 0.000 0.861 167 T HN 0.738 nan 8.240 nan 0.000 0.445 168 A N 0.803 123.685 122.820 0.102 0.000 2.067 168 A HA 0.342 4.661 4.320 -0.002 0.000 0.219 168 A C 2.547 180.143 177.584 0.020 0.000 1.158 168 A CA 1.514 53.603 52.037 0.087 0.000 0.661 168 A CB -0.751 18.267 19.000 0.030 0.000 0.801 168 A HN 0.538 nan 8.150 nan 0.000 0.452 169 A N -1.247 121.525 122.820 -0.081 0.000 1.930 169 A HA 0.062 4.381 4.320 -0.002 0.000 0.215 169 A C 1.994 179.345 177.584 -0.388 0.000 1.176 169 A CA 1.215 53.102 52.037 -0.250 0.000 0.632 169 A CB -0.652 18.131 19.000 -0.361 0.000 0.819 169 A HN 0.531 nan 8.150 nan 0.000 0.445 170 Y N -1.497 118.634 120.300 -0.282 0.000 2.200 170 Y HA -0.101 4.448 4.550 -0.002 0.000 0.290 170 Y C 2.120 177.890 175.900 -0.216 0.000 1.137 170 Y CA 1.246 59.039 58.100 -0.512 0.000 1.163 170 Y CB -0.698 37.342 38.460 -0.699 0.000 0.988 170 Y HN 0.306 nan 8.280 nan 0.000 0.518 171 F N -0.082 119.870 119.950 0.003 0.000 2.102 171 F HA -0.246 4.280 4.527 -0.002 0.000 0.298 171 F C 2.533 178.330 175.800 -0.005 0.000 1.105 171 F CA 1.699 59.695 58.000 -0.006 0.000 1.239 171 F CB -1.025 37.927 39.000 -0.079 0.000 0.991 171 F HN -0.111 nan 8.300 nan 0.000 0.474 172 S N -0.244 115.545 115.700 0.149 0.000 2.356 172 S HA -0.124 4.345 4.470 -0.002 0.000 0.223 172 S C 2.471 177.108 174.600 0.063 0.000 1.032 172 S CA 1.194 59.428 58.200 0.056 0.000 1.005 172 S CB -1.189 62.002 63.200 -0.015 0.000 0.867 172 S HN 0.484 nan 8.310 nan 0.000 0.449 173 G N 1.663 110.518 108.800 0.091 0.000 2.418 173 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.217 173 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.217 173 G C 1.376 176.384 174.900 0.181 0.000 1.158 173 G CA 0.692 45.888 45.100 0.160 0.000 0.771 173 G HN 0.376 nan 8.290 nan 0.000 0.545 174 L N 1.105 122.505 121.223 0.295 0.000 2.046 174 L HA 0.001 4.340 4.340 -0.002 0.000 0.208 174 L C 2.965 179.893 176.870 0.097 0.000 1.077 174 L CA 2.332 57.291 54.840 0.199 0.000 0.747 174 L CB -0.969 41.264 42.059 0.290 0.000 0.896 174 L HN 0.190 nan 8.230 nan 0.000 0.432 175 T N -0.283 114.340 114.554 0.115 0.000 2.720 175 T HA -0.186 4.163 4.350 -0.002 0.000 0.268 175 T C 1.918 176.645 174.700 0.045 0.000 1.037 175 T CA 1.325 63.469 62.100 0.073 0.000 1.144 175 T CB -0.517 68.386 68.868 0.058 0.000 0.864 175 T HN 0.509 nan 8.240 nan 0.000 0.444 176 A N 1.472 124.312 122.820 0.034 0.000 1.883 176 A HA -0.153 4.166 4.320 -0.002 0.000 0.217 176 A C 2.574 180.189 177.584 0.052 0.000 1.186 176 A CA 2.191 54.244 52.037 0.026 0.000 0.624 176 A CB -1.334 17.665 19.000 -0.002 0.000 0.822 176 A HN 0.487 nan 8.150 nan 0.000 0.444 177 T N 0.008 114.561 114.554 -0.001 0.000 2.720 177 T HA -0.134 4.215 4.350 -0.002 0.000 0.268 177 T C 2.013 176.701 174.700 -0.021 0.000 1.037 177 T CA 2.001 64.050 62.100 -0.086 0.000 1.144 177 T CB -0.647 67.969 68.868 -0.420 0.000 0.864 177 T HN 0.609 nan 8.240 nan 0.000 0.444 178 T N 2.211 116.768 114.554 0.004 0.000 2.674 178 T HA -0.011 4.338 4.350 -0.002 0.000 0.265 178 T C 2.470 177.215 174.700 0.075 0.000 1.039 178 T CA 1.171 63.298 62.100 0.046 0.000 1.150 178 T CB -0.704 68.198 68.868 0.056 0.000 0.864 178 T HN 0.427 nan 8.240 nan 0.000 0.427 179 A N 1.608 124.471 122.820 0.072 0.000 1.940 179 A HA 0.089 4.408 4.320 -0.002 0.000 0.219 179 A C 2.653 180.300 177.584 0.106 0.000 1.176 179 A CA 1.976 54.060 52.037 0.080 0.000 0.631 179 A CB -1.165 17.873 19.000 0.063 0.000 0.814 179 A HN 0.530 nan 8.150 nan 0.000 0.446 180 A N -0.774 122.126 122.820 0.135 0.000 1.902 180 A HA -0.004 4.315 4.320 -0.002 0.000 0.217 180 A C 1.996 179.701 177.584 0.201 0.000 1.181 180 A CA 1.661 53.800 52.037 0.171 0.000 0.623 180 A CB -0.502 18.639 19.000 0.235 0.000 0.818 180 A HN 0.391 nan 8.150 nan 0.000 0.443 181 L N -0.467 120.894 121.223 0.231 0.000 2.083 181 L HA -0.090 4.249 4.340 -0.002 0.000 0.209 181 L C 2.907 179.875 176.870 0.164 0.000 1.083 181 L CA 1.792 56.760 54.840 0.213 0.000 0.752 181 L CB -1.380 40.785 42.059 0.176 0.000 0.899 181 L HN 0.430 nan 8.230 nan 0.000 0.433 182 A N -0.894 122.006 122.820 0.134 0.000 1.898 182 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 182 A C 2.461 180.142 177.584 0.160 0.000 1.181 182 A CA 1.581 53.695 52.037 0.129 0.000 0.620 182 A CB -0.651 18.406 19.000 0.094 0.000 0.819 182 A HN 0.381 nan 8.150 nan 0.000 0.442 183 A N -0.559 122.342 122.820 0.135 0.000 1.929 183 A HA 0.045 4.364 4.320 -0.002 0.000 0.216 183 A C 2.080 179.732 177.584 0.112 0.000 1.176 183 A CA 1.523 53.631 52.037 0.118 0.000 0.628 183 A CB -0.578 18.491 19.000 0.114 0.000 0.816 183 A HN 0.650 nan 8.150 nan 0.000 0.444 184 L N -0.488 120.813 121.223 0.130 0.000 2.042 184 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 184 L C 2.316 179.257 176.870 0.119 0.000 1.076 184 L CA 2.890 57.799 54.840 0.115 0.000 0.749 184 L CB -0.861 41.281 42.059 0.137 0.000 0.893 184 L HN 0.639 nan 8.230 nan 0.000 0.432 185 H N -0.472 118.630 119.070 0.053 0.000 2.319 185 H HA -0.218 4.337 4.556 -0.002 0.000 0.299 185 H C 2.225 177.568 175.328 0.025 0.000 1.092 185 H CA 2.292 58.363 56.048 0.038 0.000 1.302 185 H CB -0.016 29.771 29.762 0.040 0.000 1.373 185 H HN 0.258 nan 8.280 nan 0.000 0.497 186 K N -0.020 120.360 120.400 -0.034 0.000 2.147 186 K HA -0.058 4.261 4.320 -0.002 0.000 0.205 186 K C 2.100 178.640 176.600 -0.100 0.000 1.049 186 K CA 1.303 57.533 56.287 -0.095 0.000 0.936 186 K CB -0.491 32.011 32.500 0.003 0.000 0.722 186 K HN 0.256 nan 8.250 nan 0.000 0.446 187 V N 0.745 120.628 119.914 -0.053 0.000 2.407 187 V HA -0.201 3.918 4.120 -0.002 0.000 0.248 187 V C 2.333 178.385 176.094 -0.071 0.000 1.055 187 V CA 1.966 64.236 62.300 -0.050 0.000 1.049 187 V CB -0.466 31.350 31.823 -0.012 0.000 0.662 187 V HN 0.307 nan 8.190 nan 0.000 0.455 188 R N -0.379 120.070 120.500 -0.086 0.000 2.096 188 R HA -0.151 4.188 4.340 -0.002 0.000 0.235 188 R C 2.453 178.680 176.300 -0.123 0.000 1.127 188 R CA 1.323 57.368 56.100 -0.091 0.000 0.968 188 R CB -0.237 30.017 30.300 -0.077 0.000 0.861 188 R HN 0.514 nan 8.270 nan 0.000 0.440 189 E N -0.040 120.047 120.200 -0.189 0.000 2.107 189 E HA -0.121 4.228 4.350 -0.002 0.000 0.191 189 E C 1.186 177.724 176.600 -0.103 0.000 0.982 189 E CA 1.796 58.098 56.400 -0.163 0.000 0.809 189 E CB 0.330 29.899 29.700 -0.218 0.000 0.756 189 E HN 0.427 nan 8.360 nan 0.000 0.459 190 T N -4.931 109.565 114.554 -0.095 0.000 2.958 190 T HA 0.315 4.663 4.350 -0.002 0.000 0.256 190 T C 1.381 176.036 174.700 -0.076 0.000 0.983 190 T CA 0.679 62.732 62.100 -0.078 0.000 0.924 190 T CB 0.789 69.610 68.868 -0.078 0.000 1.136 190 T HN 0.204 nan 8.240 nan 0.000 0.506 191 G N 1.670 110.425 108.800 -0.075 0.000 2.168 191 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.263 191 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.263 191 G C -0.005 174.840 174.900 -0.092 0.000 0.977 191 G CA 0.233 45.291 45.100 -0.070 0.000 0.659 191 G HN 0.600 nan 8.290 nan 0.000 0.533 192 K N 0.924 121.255 120.400 -0.116 0.000 2.182 192 K HA 0.583 4.902 4.320 -0.002 0.000 0.262 192 K C 1.113 177.600 176.600 -0.189 0.000 0.957 192 K CA 0.172 56.349 56.287 -0.183 0.000 0.842 192 K CB 1.348 33.727 32.500 -0.202 0.000 1.099 192 K HN 0.259 nan 8.250 nan 0.000 0.438 193 G N 1.397 110.022 108.800 -0.292 0.000 2.631 193 G HA2 0.134 4.093 3.960 -0.002 0.000 0.271 193 G HA3 0.134 4.093 3.960 -0.002 0.000 0.271 193 G C -0.535 174.298 174.900 -0.112 0.000 1.302 193 G CA 0.221 45.224 45.100 -0.161 0.000 1.002 193 G HN 0.507 nan 8.290 nan 0.000 0.519 194 E N -1.883 118.460 120.200 0.238 0.000 2.390 194 E HA 0.543 4.892 4.350 -0.002 0.000 0.277 194 E C -1.134 175.805 176.600 0.564 0.000 0.939 194 E CA -0.611 55.981 56.400 0.321 0.000 0.769 194 E CB 2.020 31.824 29.700 0.172 0.000 1.251 194 E HN 0.446 nan 8.360 nan 0.000 0.450 195 S N 3.023 119.035 115.700 0.520 0.000 2.482 195 S HA 0.757 5.226 4.470 -0.002 0.000 0.303 195 S C -0.968 173.785 174.600 0.256 0.000 1.091 195 S CA -0.628 57.783 58.200 0.351 0.000 1.057 195 S CB 0.299 63.711 63.200 0.353 0.000 1.031 195 S HN 0.425 nan 8.310 nan 0.000 0.485 196 I N 3.130 123.821 120.570 0.203 0.000 2.498 196 I HA 0.389 4.558 4.170 -0.002 0.000 0.290 196 I C -1.022 175.202 176.117 0.179 0.000 1.032 196 I CA -0.768 60.625 61.300 0.155 0.000 1.073 196 I CB 2.055 40.109 38.000 0.091 0.000 1.251 196 I HN 0.468 nan 8.210 nan 0.000 0.426 197 D N 7.468 127.956 120.400 0.147 0.000 2.485 197 D HA 0.409 5.048 4.640 -0.002 0.000 0.229 197 D C -0.722 175.607 176.300 0.049 0.000 1.101 197 D CA -0.337 53.735 54.000 0.120 0.000 0.906 197 D CB 0.653 41.531 40.800 0.129 0.000 1.019 197 D HN 0.305 nan 8.370 nan 0.000 0.516 198 I N 2.587 123.176 120.570 0.032 0.000 2.291 198 I HA 0.363 4.532 4.170 -0.002 0.000 0.290 198 I C 0.566 176.648 176.117 -0.057 0.000 1.050 198 I CA -0.550 60.737 61.300 -0.021 0.000 1.245 198 I CB 1.498 39.488 38.000 -0.016 0.000 1.405 198 I HN 0.291 nan 8.210 nan 0.000 0.478 199 A N 6.950 129.694 122.820 -0.126 0.000 2.276 199 A HA 0.493 4.812 4.320 -0.002 0.000 0.300 199 A C 1.245 178.691 177.584 -0.231 0.000 1.235 199 A CA -0.536 51.391 52.037 -0.184 0.000 0.867 199 A CB 0.420 19.239 19.000 -0.301 0.000 1.137 199 A HN 0.846 nan 8.150 nan 0.000 0.527 200 M N 1.750 121.251 119.600 -0.164 0.000 2.106 200 M HA -0.225 4.253 4.480 -0.002 0.000 0.259 200 M C 1.908 178.138 176.300 -0.118 0.000 1.068 200 M CA 2.369 57.588 55.300 -0.135 0.000 1.100 200 M CB -0.766 31.758 32.600 -0.126 0.000 1.351 200 M HN 1.057 nan 8.290 nan 0.000 0.404 201 Y N 0.501 120.714 120.300 -0.145 0.000 2.274 201 Y HA -0.092 4.457 4.550 -0.002 0.000 0.290 201 Y C 1.740 177.627 175.900 -0.023 0.000 1.145 201 Y CA 1.269 59.344 58.100 -0.041 0.000 1.203 201 Y CB -0.890 37.641 38.460 0.118 0.000 0.984 201 Y HN 0.250 nan 8.280 nan 0.000 0.533 202 E N 0.579 120.337 120.200 -0.737 0.000 2.107 202 E HA -0.097 4.252 4.350 -0.002 0.000 0.191 202 E C 2.291 178.739 176.600 -0.253 0.000 0.982 202 E CA 1.213 57.288 56.400 -0.541 0.000 0.809 202 E CB -0.124 29.215 29.700 -0.601 0.000 0.756 202 E HN 0.392 nan 8.360 nan 0.000 0.459 203 V N 1.404 121.187 119.914 -0.218 0.000 2.255 203 V HA -0.304 3.815 4.120 -0.002 0.000 0.247 203 V C 2.295 178.260 176.094 -0.215 0.000 1.051 203 V CA 1.567 63.766 62.300 -0.168 0.000 1.018 203 V CB -0.350 31.403 31.823 -0.116 0.000 0.641 203 V HN 0.346 nan 8.190 nan 0.000 0.445 204 M N -0.911 118.569 119.600 -0.200 0.000 2.296 204 M HA -0.055 4.424 4.480 -0.002 0.000 0.265 204 M C 2.105 178.351 176.300 -0.090 0.000 1.064 204 M CA 1.367 56.515 55.300 -0.254 0.000 1.109 204 M CB -1.444 31.041 32.600 -0.192 0.000 1.396 204 M HN 0.382 nan 8.290 nan 0.000 0.430 205 L N 0.454 121.670 121.223 -0.012 0.000 2.012 205 L HA -0.194 4.145 4.340 -0.002 0.000 0.210 205 L C 2.628 179.527 176.870 0.050 0.000 1.073 205 L CA 1.919 56.801 54.840 0.070 0.000 0.748 205 L CB -0.603 41.506 42.059 0.085 0.000 0.891 205 L HN 0.141 nan 8.230 nan 0.000 0.431 206 R N -0.492 119.989 120.500 -0.031 0.000 2.073 206 R HA -0.130 4.209 4.340 -0.002 0.000 0.234 206 R C 1.961 178.235 176.300 -0.043 0.000 1.134 206 R CA 1.991 58.070 56.100 -0.035 0.000 0.952 206 R CB -0.539 29.716 30.300 -0.075 0.000 0.850 206 R HN 0.345 nan 8.270 nan 0.000 0.433 207 M N -0.656 118.851 119.600 -0.154 0.000 2.549 207 M HA 0.134 4.613 4.480 -0.002 0.000 0.260 207 M C 1.242 177.618 176.300 0.125 0.000 1.076 207 M CA 1.203 56.384 55.300 -0.199 0.000 1.090 207 M CB -0.741 31.395 32.600 -0.773 0.000 1.418 207 M HN 0.321 nan 8.290 nan 0.000 0.486 208 G N -0.619 108.301 108.800 0.199 0.000 3.707 208 G HA2 0.103 4.062 3.960 -0.002 0.000 0.286 208 G HA3 0.103 4.062 3.960 -0.002 0.000 0.286 208 G C 1.069 176.067 174.900 0.163 0.000 1.112 208 G CA -0.104 45.147 45.100 0.251 0.000 0.861 208 G HN 0.237 nan 8.290 nan 0.000 0.534 209 Q N -0.491 119.395 119.800 0.143 0.000 2.408 209 Q HA 0.088 4.427 4.340 -0.002 0.000 0.205 209 Q C 1.461 177.510 176.000 0.082 0.000 0.919 209 Q CA -0.245 55.635 55.803 0.129 0.000 0.932 209 Q CB 0.013 28.821 28.738 0.117 0.000 1.058 209 Q HN 0.648 nan 8.270 nan 0.000 0.517 210 Y N 0.162 120.412 120.300 -0.084 0.000 2.102 210 Y HA -0.291 4.258 4.550 -0.002 0.000 0.280 210 Y C 1.327 176.967 175.900 -0.433 0.000 1.178 210 Y CA 1.985 59.908 58.100 -0.295 0.000 1.146 210 Y CB -0.092 38.105 38.460 -0.439 0.000 0.968 210 Y HN 0.052 nan 8.280 nan 0.000 0.504 211 F N -2.702 117.395 119.950 0.245 0.000 2.678 211 F HA 0.060 4.586 4.527 -0.002 0.000 0.291 211 F C 2.295 178.130 175.800 0.058 0.000 1.123 211 F CA 0.155 58.250 58.000 0.158 0.000 1.395 211 F CB -0.310 38.750 39.000 0.101 0.000 1.121 211 F HN -0.079 nan 8.300 nan 0.000 0.592 212 M N -0.041 119.649 119.600 0.149 0.000 2.279 212 M HA -0.207 4.272 4.480 -0.002 0.000 0.264 212 M C 2.034 178.281 176.300 -0.089 0.000 1.062 212 M CA 1.318 56.592 55.300 -0.043 0.000 1.099 212 M CB -0.070 32.478 32.600 -0.088 0.000 1.394 212 M HN 0.127 nan 8.290 nan 0.000 0.426 213 M N -0.006 119.641 119.600 0.079 0.000 2.279 213 M HA -0.208 4.271 4.480 -0.002 0.000 0.264 213 M C 1.195 177.564 176.300 0.115 0.000 1.062 213 M CA 1.394 56.786 55.300 0.153 0.000 1.099 213 M CB -1.236 31.422 32.600 0.096 0.000 1.394 213 M HN 0.230 nan 8.290 nan 0.000 0.426 214 D N -0.497 119.970 120.400 0.112 0.000 2.084 214 D HA -0.209 4.430 4.640 -0.002 0.000 0.194 214 D C 1.806 178.156 176.300 0.083 0.000 0.990 214 D CA 1.307 55.381 54.000 0.123 0.000 0.826 214 D CB -0.620 40.307 40.800 0.212 0.000 0.971 214 D HN 0.393 nan 8.370 nan 0.000 0.453 215 Y N 0.556 120.809 120.300 -0.078 0.000 2.165 215 Y HA -0.256 4.293 4.550 -0.002 0.000 0.286 215 Y C 1.984 177.835 175.900 -0.082 0.000 1.155 215 Y CA 1.435 59.449 58.100 -0.144 0.000 1.164 215 Y CB -0.401 37.883 38.460 -0.293 0.000 0.978 215 Y HN -0.150 nan 8.280 nan 0.000 0.513 216 F N 0.067 120.067 119.950 0.083 0.000 2.451 216 F HA -0.064 4.462 4.527 -0.002 0.000 0.299 216 F C 0.807 176.563 175.800 -0.073 0.000 1.101 216 F CA 0.853 58.848 58.000 -0.007 0.000 1.436 216 F CB -0.373 38.668 39.000 0.068 0.000 1.074 216 F HN 0.132 nan 8.300 nan 0.000 0.553 217 N N -0.516 118.236 118.700 0.086 0.000 2.644 217 N HA 0.286 5.025 4.740 -0.002 0.000 0.313 217 N C 1.165 176.667 175.510 -0.013 0.000 1.863 217 N CA 0.721 53.793 53.050 0.037 0.000 0.918 217 N CB 1.094 39.616 38.487 0.059 0.000 1.320 217 N HN 0.277 nan 8.380 nan 0.000 0.490 218 G N -0.246 108.511 108.800 -0.070 0.000 2.258 218 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.233 218 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.233 218 G C 0.555 175.416 174.900 -0.064 0.000 1.006 218 G CA -0.068 44.990 45.100 -0.070 0.000 0.620 218 G HN 0.600 nan 8.290 nan 0.000 0.511 219 G N -0.369 108.409 108.800 -0.037 0.000 2.535 219 G HA2 0.535 4.494 3.960 -0.002 0.000 0.282 219 G HA3 0.535 4.494 3.960 -0.002 0.000 0.282 219 G C -0.152 174.777 174.900 0.047 0.000 1.350 219 G CA -0.059 45.050 45.100 0.016 0.000 1.039 219 G HN 0.276 nan 8.290 nan 0.000 0.509 220 E N -0.894 119.370 120.200 0.107 0.000 2.250 220 E HA 0.374 4.723 4.350 -0.002 0.000 0.269 220 E C -0.115 176.607 176.600 0.204 0.000 1.018 220 E CA -0.869 55.625 56.400 0.158 0.000 0.873 220 E CB 1.805 31.575 29.700 0.117 0.000 1.134 220 E HN 0.304 nan 8.360 nan 0.000 0.403 221 M N 1.793 121.497 119.600 0.173 0.000 2.255 221 M HA 0.140 4.619 4.480 -0.002 0.000 0.336 221 M C -0.265 176.045 176.300 0.016 0.000 1.135 221 M CA -0.639 54.702 55.300 0.068 0.000 1.145 221 M CB 0.341 32.887 32.600 -0.090 0.000 1.473 221 M HN 0.645 nan 8.290 nan 0.000 0.462 222 C N 4.805 124.045 119.300 -0.100 0.000 2.657 222 C HA 0.762 5.221 4.460 -0.002 0.000 0.404 222 C C -1.840 172.946 174.990 -0.340 0.000 1.291 222 C CA -1.205 57.566 59.018 -0.412 0.000 2.218 222 C CB -0.449 26.591 27.740 -1.165 0.000 2.687 222 C HN 0.797 nan 8.230 nan 0.000 0.634 223 P HA 0.296 nan 4.420 nan 0.000 0.277 223 P C -0.507 176.610 177.300 -0.306 0.000 1.276 223 P CA -0.287 62.661 63.100 -0.253 0.000 0.788 223 P CB 0.502 32.088 31.700 -0.190 0.000 1.114 224 R N -0.390 119.979 120.500 -0.218 0.000 2.615 224 R HA 0.345 4.684 4.340 -0.002 0.000 0.270 224 R C 0.800 176.977 176.300 -0.205 0.000 1.081 224 R CA -0.600 55.378 56.100 -0.204 0.000 1.154 224 R CB 0.151 30.363 30.300 -0.146 0.000 1.063 224 R HN 0.493 nan 8.270 nan 0.000 0.519 225 M N 0.680 120.164 119.600 -0.192 0.000 2.246 225 M HA -0.063 4.416 4.480 -0.002 0.000 0.327 225 M C 0.533 176.753 176.300 -0.134 0.000 1.090 225 M CA 0.950 56.149 55.300 -0.168 0.000 1.087 225 M CB 0.517 33.031 32.600 -0.145 0.000 1.587 225 M HN 0.393 nan 8.290 nan 0.000 0.444 226 S N 3.054 118.679 115.700 -0.125 0.000 2.461 226 S HA 0.252 4.721 4.470 -0.002 0.000 0.322 226 S C -0.200 174.337 174.600 -0.105 0.000 1.063 226 S CA -0.616 57.523 58.200 -0.101 0.000 1.120 226 S CB 0.015 63.164 63.200 -0.086 0.000 0.968 226 S HN 0.683 nan 8.310 nan 0.000 0.467 227 K N 3.457 123.800 120.400 -0.095 0.000 3.150 227 K HA -0.195 4.124 4.320 -0.002 0.000 0.267 227 K C 0.820 177.338 176.600 -0.136 0.000 1.028 227 K CA 0.574 56.804 56.287 -0.095 0.000 0.753 227 K CB -2.132 30.330 32.500 -0.064 0.000 1.288 227 K HN 1.389 nan 8.250 nan 0.000 0.473 228 G N -0.032 108.686 108.800 -0.138 0.000 2.148 228 G HA2 -0.345 3.614 3.960 -0.002 0.000 0.254 228 G HA3 -0.345 3.614 3.960 -0.002 0.000 0.254 228 G C -0.068 174.746 174.900 -0.144 0.000 0.981 228 G CA 0.817 45.829 45.100 -0.147 0.000 0.670 228 G HN 0.368 nan 8.290 nan 0.000 0.528 229 K N 0.755 121.061 120.400 -0.156 0.000 2.130 229 K HA 0.284 4.603 4.320 -0.002 0.000 0.268 229 K C -0.025 176.515 176.600 -0.100 0.000 0.983 229 K CA -0.787 55.411 56.287 -0.149 0.000 0.893 229 K CB 1.090 33.468 32.500 -0.203 0.000 1.066 229 K HN 0.235 nan 8.250 nan 0.000 0.450 230 D N 3.800 124.177 120.400 -0.038 0.000 2.525 230 D HA -0.049 4.590 4.640 -0.002 0.000 0.235 230 D C -1.373 174.833 176.300 -0.157 0.000 1.137 230 D CA -0.913 53.057 54.000 -0.050 0.000 0.868 230 D CB 1.023 41.869 40.800 0.077 0.000 1.180 230 D HN 0.260 nan 8.370 nan 0.000 0.465 231 P HA -0.124 nan 4.420 nan 0.000 0.226 231 P C 0.495 177.537 177.300 -0.430 0.000 1.153 231 P CA 0.991 63.829 63.100 -0.437 0.000 0.777 231 P CB 0.219 31.502 31.700 -0.695 0.000 0.794 232 Y N -2.348 117.592 120.300 -0.600 0.000 2.589 232 Y HA 0.224 4.773 4.550 -0.002 0.000 0.271 232 Y C 0.658 176.011 175.900 -0.913 0.000 1.107 232 Y CA -0.786 56.719 58.100 -0.992 0.000 1.273 232 Y CB -0.264 37.331 38.460 -1.441 0.000 1.266 232 Y HN -0.209 nan 8.280 nan 0.000 0.504 233 Y N 0.632 120.928 120.300 -0.006 0.000 2.334 233 Y HA 0.651 5.200 4.550 -0.002 0.000 0.336 233 Y C 0.433 176.377 175.900 0.072 0.000 0.960 233 Y CA -2.047 56.072 58.100 0.031 0.000 1.164 233 Y CB 0.594 39.106 38.460 0.087 0.000 1.155 233 Y HN -0.038 nan 8.280 nan 0.000 0.478 234 A N 1.978 124.946 122.820 0.246 0.000 2.498 234 A HA 0.446 4.765 4.320 -0.002 0.000 0.239 234 A C 1.365 179.091 177.584 0.238 0.000 1.068 234 A CA 0.651 52.825 52.037 0.230 0.000 0.766 234 A CB -0.615 18.514 19.000 0.214 0.000 1.003 234 A HN 1.598 nan 8.150 nan 0.000 0.497 235 G N 0.057 109.032 108.800 0.290 0.000 2.143 235 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.248 235 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.248 235 G C 0.080 175.085 174.900 0.174 0.000 0.991 235 G CA 0.230 45.418 45.100 0.148 0.000 0.689 235 G HN 1.266 nan 8.290 nan 0.000 0.522 236 C N 0.209 119.705 119.300 0.327 0.000 2.364 236 C HA 0.921 5.380 4.460 -0.002 0.000 0.324 236 C C 1.008 176.173 174.990 0.291 0.000 1.234 236 C CA 0.449 59.623 59.018 0.260 0.000 1.417 236 C CB 0.628 28.490 27.740 0.203 0.000 2.101 236 C HN 2.046 nan 8.230 nan 0.000 0.466 237 G N 2.382 111.348 108.800 0.277 0.000 2.295 237 G HA2 0.155 4.114 3.960 -0.002 0.000 0.195 237 G HA3 0.155 4.114 3.960 -0.002 0.000 0.195 237 G C -1.464 173.557 174.900 0.203 0.000 1.269 237 G CA -0.713 44.480 45.100 0.155 0.000 1.170 237 G HN 0.763 nan 8.290 nan 0.000 0.511 238 L N 1.135 122.350 121.223 -0.014 0.000 2.313 238 L HA 0.788 5.127 4.340 -0.002 0.000 0.282 238 L C -0.776 176.013 176.870 -0.136 0.000 1.092 238 L CA -0.566 54.250 54.840 -0.040 0.000 0.831 238 L CB -0.020 41.923 42.059 -0.194 0.000 1.159 238 L HN 0.536 nan 8.230 nan 0.000 0.442 239 Y N 3.370 123.761 120.300 0.151 0.000 2.605 239 Y HA 0.527 5.076 4.550 -0.002 0.000 0.343 239 Y C -0.338 175.720 175.900 0.263 0.000 1.036 239 Y CA -0.905 57.312 58.100 0.196 0.000 1.065 239 Y CB 1.702 40.275 38.460 0.188 0.000 1.288 239 Y HN 0.425 nan 8.280 nan 0.000 0.481 240 K N 1.323 121.937 120.400 0.357 0.000 2.323 240 K HA 0.643 4.962 4.320 -0.002 0.000 0.259 240 K C -1.255 175.432 176.600 0.144 0.000 0.947 240 K CA -0.329 56.078 56.287 0.199 0.000 0.819 240 K CB 0.785 33.326 32.500 0.068 0.000 1.109 240 K HN 0.762 nan 8.250 nan 0.000 0.429 241 C N 1.837 121.188 119.300 0.084 0.000 2.478 241 C HA 0.371 4.830 4.460 -0.002 0.000 0.379 241 C C 2.082 177.060 174.990 -0.020 0.000 1.470 241 C CA -0.318 58.717 59.018 0.028 0.000 2.066 241 C CB 0.879 28.623 27.740 0.007 0.000 2.001 241 C HN 1.028 nan 8.230 nan 0.000 0.550 242 A N 0.865 123.658 122.820 -0.045 0.000 2.024 242 A HA -0.136 4.183 4.320 -0.002 0.000 0.220 242 A C 1.206 178.751 177.584 -0.064 0.000 1.164 242 A CA 2.412 54.411 52.037 -0.064 0.000 0.643 242 A CB -0.405 18.542 19.000 -0.088 0.000 0.806 242 A HN 0.964 nan 8.150 nan 0.000 0.451 243 D N -2.981 117.384 120.400 -0.058 0.000 2.673 243 D HA 0.430 5.069 4.640 -0.002 0.000 0.278 243 D C 0.424 176.688 176.300 -0.060 0.000 1.393 243 D CA 0.553 54.518 54.000 -0.058 0.000 0.805 243 D CB -0.301 40.471 40.800 -0.047 0.000 1.110 243 D HN 0.823 nan 8.370 nan 0.000 0.476 244 G N -0.348 108.405 108.800 -0.079 0.000 2.353 244 G HA2 0.033 3.992 3.960 -0.002 0.000 0.424 244 G HA3 0.033 3.992 3.960 -0.002 0.000 0.424 244 G C -1.540 173.347 174.900 -0.022 0.000 1.320 244 G CA -1.252 43.783 45.100 -0.107 0.000 0.995 244 G HN 0.071 nan 8.290 nan 0.000 0.580 245 Y N 0.867 121.189 120.300 0.037 0.000 2.526 245 Y HA 0.408 4.957 4.550 -0.002 0.000 0.330 245 Y C 1.518 177.462 175.900 0.074 0.000 1.156 245 Y CA -0.232 57.903 58.100 0.057 0.000 1.419 245 Y CB 0.721 39.206 38.460 0.042 0.000 1.250 245 Y HN 0.652 nan 8.280 nan 0.000 0.540 246 I N 3.326 124.077 120.570 0.302 0.000 3.067 246 I HA 0.725 4.894 4.170 -0.002 0.000 0.312 246 I C -1.011 175.253 176.117 0.245 0.000 1.073 246 I CA -1.172 60.266 61.300 0.230 0.000 1.016 246 I CB 1.555 39.669 38.000 0.190 0.000 1.227 246 I HN 0.328 nan 8.210 nan 0.000 0.456 247 V N 2.395 122.428 119.914 0.199 0.000 2.769 247 V HA 0.826 4.945 4.120 -0.002 0.000 0.312 247 V C -0.200 176.021 176.094 0.212 0.000 1.058 247 V CA -0.683 61.741 62.300 0.207 0.000 0.952 247 V CB 1.501 33.400 31.823 0.128 0.000 1.019 247 V HN 1.073 nan 8.190 nan 0.000 0.445 248 M N 0.897 120.620 119.600 0.206 0.000 2.578 248 M HA 0.756 5.235 4.480 -0.002 0.000 0.276 248 M C -1.641 174.690 176.300 0.051 0.000 1.245 248 M CA -0.551 54.812 55.300 0.106 0.000 0.871 248 M CB 2.905 35.555 32.600 0.083 0.000 1.722 248 M HN 0.531 nan 8.290 nan 0.000 0.473 249 E N 2.543 122.718 120.200 -0.042 0.000 2.325 249 E HA 0.336 4.685 4.350 -0.002 0.000 0.248 249 E C -1.683 174.842 176.600 -0.125 0.000 0.912 249 E CA -0.634 55.740 56.400 -0.042 0.000 0.782 249 E CB 2.461 32.145 29.700 -0.026 0.000 1.264 249 E HN 0.730 nan 8.360 nan 0.000 0.417 250 L N 4.154 125.310 121.223 -0.111 0.000 2.462 250 L HA 0.161 4.500 4.340 -0.002 0.000 0.283 250 L C -1.038 175.771 176.870 -0.102 0.000 1.166 250 L CA -0.126 54.629 54.840 -0.142 0.000 0.964 250 L CB 0.162 42.169 42.059 -0.087 0.000 1.294 250 L HN 0.181 nan 8.230 nan 0.000 0.449 251 V N 3.909 123.747 119.914 -0.127 0.000 2.686 251 V HA 0.939 5.058 4.120 -0.002 0.000 0.306 251 V C 0.209 176.234 176.094 -0.116 0.000 1.065 251 V CA -0.167 62.065 62.300 -0.113 0.000 0.894 251 V CB 1.344 33.109 31.823 -0.096 0.000 1.004 251 V HN 0.923 nan 8.190 nan 0.000 0.424 252 G N 3.330 112.062 108.800 -0.112 0.000 2.539 252 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.686 252 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.686 252 G C 0.046 174.874 174.900 -0.119 0.000 1.258 252 G CA -0.279 44.759 45.100 -0.104 0.000 0.846 252 G HN 0.638 nan 8.290 nan 0.000 0.647 253 I N 0.189 120.697 120.570 -0.105 0.000 2.142 253 I HA -0.169 4.000 4.170 -0.002 0.000 0.240 253 I C 3.006 179.047 176.117 -0.127 0.000 1.078 253 I CA 2.170 63.402 61.300 -0.114 0.000 1.343 253 I CB -0.593 37.355 38.000 -0.087 0.000 1.046 253 I HN 0.663 nan 8.210 nan 0.000 0.405 254 T N -0.083 114.410 114.554 -0.102 0.000 2.777 254 T HA -0.194 4.155 4.350 -0.002 0.000 0.266 254 T C 1.887 176.520 174.700 -0.111 0.000 1.040 254 T CA 1.401 63.446 62.100 -0.093 0.000 1.141 254 T CB -0.105 68.722 68.868 -0.067 0.000 0.868 254 T HN 0.267 nan 8.240 nan 0.000 0.444 255 Q N 0.551 120.277 119.800 -0.124 0.000 2.096 255 Q HA 0.015 4.354 4.340 -0.002 0.000 0.204 255 Q C 2.191 178.089 176.000 -0.169 0.000 0.982 255 Q CA 1.433 57.145 55.803 -0.151 0.000 0.850 255 Q CB -0.358 28.278 28.738 -0.170 0.000 0.901 255 Q HN 0.529 nan 8.270 nan 0.000 0.422 256 I N 0.172 120.623 120.570 -0.199 0.000 2.202 256 I HA -0.250 3.919 4.170 -0.002 0.000 0.242 256 I C 2.022 177.938 176.117 -0.335 0.000 1.091 256 I CA 1.137 62.261 61.300 -0.293 0.000 1.368 256 I CB -0.263 37.504 38.000 -0.388 0.000 1.058 256 I HN 0.263 nan 8.210 nan 0.000 0.410 257 E N 0.586 120.631 120.200 -0.260 0.000 2.058 257 E HA -0.238 4.111 4.350 -0.002 0.000 0.194 257 E C 2.106 178.654 176.600 -0.086 0.000 0.997 257 E CA 1.213 57.500 56.400 -0.188 0.000 0.801 257 E CB -0.020 29.602 29.700 -0.131 0.000 0.746 257 E HN 0.392 nan 8.360 nan 0.000 0.450 258 E N 0.060 120.214 120.200 -0.078 0.000 2.158 258 E HA -0.119 4.230 4.350 -0.002 0.000 0.191 258 E C 2.124 178.692 176.600 -0.054 0.000 0.982 258 E CA 0.389 56.761 56.400 -0.047 0.000 0.823 258 E CB -0.331 29.344 29.700 -0.042 0.000 0.766 258 E HN 0.279 nan 8.360 nan 0.000 0.468 259 C N 0.221 119.482 119.300 -0.065 0.000 2.476 259 C HA -0.075 4.384 4.460 -0.002 0.000 0.278 259 C C 2.492 177.469 174.990 -0.021 0.000 1.274 259 C CA 0.120 59.076 59.018 -0.103 0.000 1.713 259 C CB -1.301 26.373 27.740 -0.109 0.000 2.039 259 C HN 0.231 nan 8.230 nan 0.000 0.484 260 F N 1.771 121.611 119.950 -0.184 0.000 2.120 260 F HA -0.115 4.411 4.527 -0.002 0.000 0.300 260 F C 2.384 178.099 175.800 -0.141 0.000 1.095 260 F CA 1.973 59.880 58.000 -0.155 0.000 1.249 260 F CB -0.802 38.121 39.000 -0.129 0.000 0.995 260 F HN 0.296 nan 8.300 nan 0.000 0.480 261 K N -0.154 120.288 120.400 0.070 0.000 2.057 261 K HA -0.172 4.147 4.320 -0.002 0.000 0.207 261 K C 1.779 178.360 176.600 -0.031 0.000 1.049 261 K CA 1.602 57.901 56.287 0.019 0.000 0.931 261 K CB -0.265 32.245 32.500 0.017 0.000 0.714 261 K HN 0.109 nan 8.250 nan 0.000 0.440 262 D N 0.797 121.123 120.400 -0.124 0.000 2.117 262 D HA -0.147 4.492 4.640 -0.002 0.000 0.197 262 D C 1.761 177.884 176.300 -0.295 0.000 0.987 262 D CA 1.233 55.099 54.000 -0.222 0.000 0.829 262 D CB -0.106 40.375 40.800 -0.531 0.000 0.961 262 D HN 0.392 nan 8.370 nan 0.000 0.460 263 I N -3.731 116.609 120.570 -0.382 0.000 3.578 263 I HA 0.283 4.452 4.170 -0.002 0.000 0.295 263 I C 1.070 177.152 176.117 -0.060 0.000 1.280 263 I CA 0.658 61.806 61.300 -0.252 0.000 1.347 263 I CB 0.061 37.890 38.000 -0.285 0.000 1.051 263 I HN 0.035 nan 8.210 nan 0.000 0.460 264 G N 2.047 110.821 108.800 -0.044 0.000 2.141 264 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.195 264 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.195 264 G C 0.009 174.926 174.900 0.029 0.000 1.012 264 G CA -0.001 45.115 45.100 0.026 0.000 0.696 264 G HN 0.261 nan 8.290 nan 0.000 0.508 265 L N 0.321 121.495 121.223 -0.081 0.000 2.959 265 L HA 0.634 4.973 4.340 -0.002 0.000 0.259 265 L C 2.492 179.279 176.870 -0.140 0.000 1.185 265 L CA 1.010 55.706 54.840 -0.241 0.000 0.998 265 L CB -0.136 41.563 42.059 -0.600 0.000 1.337 265 L HN 0.466 nan 8.230 nan 0.000 0.555 266 A N 0.379 123.220 122.820 0.035 0.000 1.929 266 A HA -0.308 4.011 4.320 -0.002 0.000 0.221 266 A C 2.111 179.718 177.584 0.039 0.000 1.211 266 A CA 2.502 54.584 52.037 0.075 0.000 0.657 266 A CB -0.978 18.074 19.000 0.087 0.000 0.827 266 A HN 0.708 nan 8.150 nan 0.000 0.462 267 H N -0.722 118.358 119.070 0.016 0.000 2.518 267 H HA 0.034 4.589 4.556 -0.002 0.000 0.289 267 H C 1.713 177.030 175.328 -0.019 0.000 1.051 267 H CA 1.311 57.354 56.048 -0.009 0.000 1.280 267 H CB -0.653 29.090 29.762 -0.032 0.000 1.380 267 H HN 0.501 nan 8.280 nan 0.000 0.566 268 L N 0.853 121.812 121.223 -0.440 0.000 2.240 268 L HA 0.058 4.397 4.340 -0.002 0.000 0.211 268 L C 0.851 177.694 176.870 -0.044 0.000 1.106 268 L CA 0.125 54.809 54.840 -0.259 0.000 0.793 268 L CB -0.101 41.841 42.059 -0.195 0.000 0.927 268 L HN 0.101 nan 8.230 nan 0.000 0.446 269 L N 0.451 121.672 121.223 -0.004 0.000 2.477 269 L HA 0.199 4.538 4.340 -0.002 0.000 0.272 269 L C 1.201 178.054 176.870 -0.028 0.000 1.157 269 L CA 0.572 55.388 54.840 -0.040 0.000 0.889 269 L CB 0.173 42.198 42.059 -0.058 0.000 1.158 269 L HN 0.296 nan 8.230 nan 0.000 0.473 270 G N 1.219 110.001 108.800 -0.030 0.000 2.201 270 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.212 270 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.212 270 G C 0.332 175.234 174.900 0.002 0.000 0.994 270 G CA 0.018 45.109 45.100 -0.015 0.000 0.644 270 G HN 0.742 nan 8.290 nan 0.000 0.508 271 T N -0.667 113.892 114.554 0.009 0.000 2.860 271 T HA 0.524 4.873 4.350 -0.002 0.000 0.299 271 T C -0.470 174.260 174.700 0.049 0.000 1.045 271 T CA -0.367 61.752 62.100 0.032 0.000 1.071 271 T CB 1.630 70.520 68.868 0.036 0.000 0.985 271 T HN -0.058 nan 8.240 nan 0.000 0.537 272 P HA -0.174 nan 4.420 nan 0.000 0.220 272 P C 1.255 178.592 177.300 0.063 0.000 1.155 272 P CA 1.432 64.564 63.100 0.053 0.000 0.880 272 P CB 0.099 31.834 31.700 0.058 0.000 0.790 273 E N -1.419 118.846 120.200 0.108 0.000 2.442 273 E HA 0.070 4.419 4.350 -0.002 0.000 0.195 273 E C 0.436 177.101 176.600 0.108 0.000 1.030 273 E CA 0.260 56.726 56.400 0.110 0.000 0.869 273 E CB -0.167 29.616 29.700 0.139 0.000 0.857 273 E HN 0.196 nan 8.360 nan 0.000 0.505 274 I N 2.266 122.892 120.570 0.095 0.000 2.833 274 I HA 0.283 4.452 4.170 -0.002 0.000 0.286 274 I C -2.332 173.781 176.117 -0.007 0.000 1.287 274 I CA -2.107 59.218 61.300 0.041 0.000 1.046 274 I CB 1.080 39.110 38.000 0.050 0.000 1.612 274 I HN -0.107 nan 8.210 nan 0.000 0.585 275 P HA 0.110 nan 4.420 nan 0.000 0.273 275 P C 0.592 177.865 177.300 -0.044 0.000 1.250 275 P CA -0.050 63.038 63.100 -0.019 0.000 0.793 275 P CB 1.460 33.153 31.700 -0.011 0.000 1.011 276 E N 0.944 121.119 120.200 -0.042 0.000 2.130 276 E HA -0.114 4.235 4.350 -0.002 0.000 0.196 276 E C 1.968 178.529 176.600 -0.066 0.000 0.998 276 E CA 1.958 58.325 56.400 -0.055 0.000 0.806 276 E CB -1.180 28.496 29.700 -0.041 0.000 0.738 276 E HN 0.705 nan 8.360 nan 0.000 0.459 277 G N -0.415 108.352 108.800 -0.054 0.000 3.262 277 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.228 277 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.228 277 G C 0.028 174.888 174.900 -0.067 0.000 1.197 277 G CA -0.051 45.015 45.100 -0.057 0.000 0.819 277 G HN 0.058 nan 8.290 nan 0.000 0.531 278 T N 1.298 115.803 114.554 -0.082 0.000 2.829 278 T HA 0.134 4.483 4.350 -0.002 0.000 0.293 278 T C 1.389 176.024 174.700 -0.108 0.000 0.970 278 T CA 0.394 62.442 62.100 -0.086 0.000 1.168 278 T CB 0.822 69.629 68.868 -0.101 0.000 0.911 278 T HN 0.627 nan 8.240 nan 0.000 0.535 279 Q N 2.056 121.804 119.800 -0.088 0.000 2.217 279 Q HA 0.459 4.798 4.340 -0.002 0.000 0.217 279 Q C -0.320 175.615 176.000 -0.108 0.000 0.844 279 Q CA -0.375 55.368 55.803 -0.100 0.000 0.957 279 Q CB 0.520 29.208 28.738 -0.084 0.000 1.127 279 Q HN 0.330 nan 8.270 nan 0.000 0.503 280 L N 1.949 123.119 121.223 -0.089 0.000 2.549 280 L HA 0.426 4.765 4.340 -0.002 0.000 0.259 280 L C -1.642 175.243 176.870 0.025 0.000 0.934 280 L CA -1.040 53.746 54.840 -0.090 0.000 0.865 280 L CB 2.551 44.478 42.059 -0.220 0.000 1.352 280 L HN 0.260 nan 8.230 nan 0.000 0.410 281 I N 0.433 121.071 120.570 0.113 0.000 2.330 281 I HA 0.380 4.549 4.170 -0.002 0.000 0.289 281 I C -0.472 175.868 176.117 0.372 0.000 1.001 281 I CA -0.516 60.917 61.300 0.222 0.000 1.193 281 I CB 1.329 39.469 38.000 0.235 0.000 1.345 281 I HN 0.620 nan 8.210 nan 0.000 0.461 282 H N 7.081 126.324 119.070 0.289 0.000 2.878 282 H HA 0.212 4.767 4.556 -0.002 0.000 0.290 282 H C 0.758 176.150 175.328 0.107 0.000 1.065 282 H CA 0.341 56.529 56.048 0.232 0.000 1.477 282 H CB 1.352 31.183 29.762 0.116 0.000 1.484 282 H HN 0.726 nan 8.280 nan 0.000 0.504 283 R N 3.945 124.530 120.500 0.141 0.000 2.189 283 R HA -0.028 4.311 4.340 -0.002 0.000 0.218 283 R C 1.242 177.652 176.300 0.182 0.000 1.074 283 R CA 0.879 57.069 56.100 0.150 0.000 0.991 283 R CB 0.327 30.670 30.300 0.071 0.000 0.883 283 R HN 0.626 nan 8.270 nan 0.000 0.457 284 I N -0.932 119.844 120.570 0.343 0.000 2.927 284 I HA -0.044 4.125 4.170 -0.002 0.000 0.268 284 I C 1.672 177.810 176.117 0.035 0.000 1.153 284 I CA 0.456 61.865 61.300 0.182 0.000 1.459 284 I CB 0.039 38.170 38.000 0.219 0.000 1.149 284 I HN 0.022 nan 8.210 nan 0.000 0.443 285 E N 0.045 120.195 120.200 -0.084 0.000 2.204 285 E HA -0.139 4.210 4.350 -0.002 0.000 0.194 285 E C 0.661 177.199 176.600 -0.104 0.000 0.989 285 E CA 0.518 56.778 56.400 -0.234 0.000 0.824 285 E CB 0.193 29.592 29.700 -0.502 0.000 0.756 285 E HN 0.360 nan 8.360 nan 0.000 0.477 286 C N 1.978 121.269 119.300 -0.015 0.000 2.281 286 C HA 0.238 4.697 4.460 -0.002 0.000 0.336 286 C C -1.343 173.559 174.990 -0.147 0.000 1.217 286 C CA -2.330 56.661 59.018 -0.045 0.000 1.730 286 C CB 0.377 28.170 27.740 0.089 0.000 2.338 286 C HN 0.229 nan 8.230 nan 0.000 0.521 287 P HA -0.151 nan 4.420 nan 0.000 0.220 287 P C 0.264 177.327 177.300 -0.394 0.000 1.144 287 P CA 1.756 64.582 63.100 -0.456 0.000 0.800 287 P CB -0.092 31.178 31.700 -0.716 0.000 0.772 288 Y N -1.150 119.180 120.300 0.050 0.000 2.457 288 Y HA 0.335 4.884 4.550 -0.002 0.000 0.263 288 Y C 2.552 178.478 175.900 0.042 0.000 1.164 288 Y CA -0.169 57.954 58.100 0.039 0.000 1.274 288 Y CB -1.329 37.153 38.460 0.037 0.000 1.097 288 Y HN -0.081 nan 8.280 nan 0.000 0.523 289 G N 2.036 110.911 108.800 0.125 0.000 2.514 289 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.217 289 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.217 289 G C -0.500 174.461 174.900 0.101 0.000 1.198 289 G CA 0.955 46.131 45.100 0.126 0.000 0.780 289 G HN 0.274 nan 8.290 nan 0.000 0.565 290 P HA -0.068 nan 4.420 nan 0.000 0.216 290 P C 2.124 179.464 177.300 0.067 0.000 1.150 290 P CA 0.527 63.666 63.100 0.066 0.000 0.837 290 P CB -0.113 31.617 31.700 0.049 0.000 0.786 291 L N -0.606 120.663 121.223 0.077 0.000 2.012 291 L HA -0.182 4.157 4.340 -0.002 0.000 0.210 291 L C 2.148 179.019 176.870 0.002 0.000 1.073 291 L CA 1.788 56.661 54.840 0.055 0.000 0.748 291 L CB -0.747 41.362 42.059 0.083 0.000 0.891 291 L HN -0.118 nan 8.230 nan 0.000 0.431 292 V N -0.118 119.785 119.914 -0.018 0.000 2.282 292 V HA -0.300 3.819 4.120 -0.002 0.000 0.249 292 V C 2.565 178.661 176.094 0.003 0.000 1.057 292 V CA 1.871 64.111 62.300 -0.101 0.000 1.032 292 V CB -0.549 31.248 31.823 -0.043 0.000 0.645 292 V HN 0.477 nan 8.190 nan 0.000 0.447 293 E N -0.212 120.036 120.200 0.080 0.000 2.072 293 E HA -0.242 4.107 4.350 -0.002 0.000 0.191 293 E C 2.220 178.904 176.600 0.140 0.000 0.985 293 E CA 1.443 57.933 56.400 0.149 0.000 0.801 293 E CB -0.244 29.536 29.700 0.134 0.000 0.750 293 E HN 0.792 nan 8.360 nan 0.000 0.452 294 E N 0.830 121.084 120.200 0.091 0.000 2.085 294 E HA -0.199 4.149 4.350 -0.002 0.000 0.194 294 E C 1.765 178.420 176.600 0.093 0.000 0.994 294 E CA 1.125 57.575 56.400 0.085 0.000 0.801 294 E CB 0.215 29.952 29.700 0.062 0.000 0.743 294 E HN -0.040 nan 8.360 nan 0.000 0.453 295 K N 0.622 121.058 120.400 0.060 0.000 2.062 295 K HA -0.073 4.246 4.320 -0.002 0.000 0.205 295 K C 2.342 179.017 176.600 0.126 0.000 1.051 295 K CA 0.505 56.831 56.287 0.064 0.000 0.941 295 K CB -0.569 31.916 32.500 -0.026 0.000 0.719 295 K HN 0.286 nan 8.250 nan 0.000 0.440 296 L N 1.555 122.840 121.223 0.102 0.000 1.989 296 L HA -0.251 4.088 4.340 -0.002 0.000 0.211 296 L C 1.873 178.915 176.870 0.287 0.000 1.071 296 L CA 1.668 56.604 54.840 0.160 0.000 0.749 296 L CB -0.375 41.745 42.059 0.102 0.000 0.890 296 L HN 0.162 nan 8.230 nan 0.000 0.431 297 D N -0.173 120.402 120.400 0.291 0.000 2.133 297 D HA -0.208 4.431 4.640 -0.002 0.000 0.195 297 D C 2.088 178.524 176.300 0.227 0.000 0.997 297 D CA 1.601 55.776 54.000 0.291 0.000 0.840 297 D CB -0.034 40.899 40.800 0.221 0.000 0.947 297 D HN 0.448 nan 8.370 nan 0.000 0.452 298 A N -0.338 122.603 122.820 0.202 0.000 1.898 298 A HA -0.136 4.183 4.320 -0.002 0.000 0.216 298 A C 2.164 179.878 177.584 0.216 0.000 1.181 298 A CA 1.276 53.414 52.037 0.168 0.000 0.620 298 A CB -1.162 17.921 19.000 0.137 0.000 0.819 298 A HN 0.427 nan 8.150 nan 0.000 0.442 299 W N 0.502 121.856 121.300 0.092 0.000 2.388 299 W HA -0.063 4.596 4.660 -0.002 0.000 0.294 299 W C 1.584 178.224 176.519 0.202 0.000 1.212 299 W CA 1.586 59.013 57.345 0.136 0.000 1.271 299 W CB -0.126 29.387 29.460 0.089 0.000 1.126 299 W HN 0.235 nan 8.180 nan 0.000 0.535 300 L N 0.493 121.906 121.223 0.317 0.000 2.156 300 L HA -0.082 4.257 4.340 -0.002 0.000 0.208 300 L C 2.577 179.466 176.870 0.031 0.000 1.095 300 L CA 1.146 56.060 54.840 0.123 0.000 0.770 300 L CB -1.031 41.172 42.059 0.241 0.000 0.914 300 L HN 0.071 nan 8.230 nan 0.000 0.439 301 A N -1.316 121.536 122.820 0.053 0.000 2.167 301 A HA -0.080 4.238 4.320 -0.002 0.000 0.214 301 A C 2.249 179.789 177.584 -0.074 0.000 1.151 301 A CA 1.405 53.444 52.037 0.003 0.000 0.735 301 A CB -0.462 18.553 19.000 0.027 0.000 0.802 301 A HN 0.286 nan 8.150 nan 0.000 0.467 302 T N -0.638 113.833 114.554 -0.138 0.000 3.035 302 T HA 0.085 4.434 4.350 -0.002 0.000 0.259 302 T C 0.214 174.624 174.700 -0.484 0.000 1.078 302 T CA 0.736 62.648 62.100 -0.313 0.000 1.132 302 T CB -0.193 68.428 68.868 -0.412 0.000 0.900 302 T HN 0.647 nan 8.240 nan 0.000 0.480 303 H N 0.102 118.967 119.070 -0.342 0.000 2.533 303 H HA 0.503 5.058 4.556 -0.002 0.000 0.343 303 H C 0.287 175.475 175.328 -0.233 0.000 1.160 303 H CA -0.417 55.420 56.048 -0.352 0.000 1.218 303 H CB 1.201 30.613 29.762 -0.583 0.000 1.566 303 H HN -0.066 nan 8.280 nan 0.000 0.522 304 T N 0.946 115.457 114.554 -0.071 0.000 2.828 304 T HA 0.113 4.462 4.350 -0.002 0.000 0.290 304 T C 1.811 176.475 174.700 -0.060 0.000 1.019 304 T CA -0.333 61.730 62.100 -0.062 0.000 1.031 304 T CB 0.330 69.165 68.868 -0.056 0.000 1.001 304 T HN 0.552 nan 8.240 nan 0.000 0.531 305 I N 2.407 122.953 120.570 -0.040 0.000 2.194 305 I HA -0.217 3.952 4.170 -0.002 0.000 0.246 305 I C 2.758 178.852 176.117 -0.039 0.000 1.093 305 I CA 1.832 63.116 61.300 -0.027 0.000 1.355 305 I CB -0.625 37.379 38.000 0.006 0.000 1.046 305 I HN 0.800 nan 8.210 nan 0.000 0.413 306 A N 0.288 123.090 122.820 -0.031 0.000 1.902 306 A HA -0.237 4.082 4.320 -0.002 0.000 0.217 306 A C 2.201 179.760 177.584 -0.042 0.000 1.181 306 A CA 1.840 53.862 52.037 -0.025 0.000 0.623 306 A CB -0.577 18.413 19.000 -0.016 0.000 0.818 306 A HN 0.475 nan 8.150 nan 0.000 0.443 307 E N -0.468 119.697 120.200 -0.058 0.000 2.072 307 E HA -0.101 4.247 4.350 -0.002 0.000 0.191 307 E C 1.991 178.494 176.600 -0.161 0.000 0.985 307 E CA 1.173 57.532 56.400 -0.069 0.000 0.801 307 E CB -0.260 29.426 29.700 -0.023 0.000 0.750 307 E HN 0.382 nan 8.360 nan 0.000 0.452 308 V N 1.608 121.370 119.914 -0.252 0.000 2.287 308 V HA -0.302 3.817 4.120 -0.002 0.000 0.248 308 V C 2.105 177.984 176.094 -0.358 0.000 1.053 308 V CA 1.899 63.924 62.300 -0.457 0.000 1.027 308 V CB -0.410 31.143 31.823 -0.449 0.000 0.646 308 V HN 0.186 nan 8.190 nan 0.000 0.447 309 K N -0.231 120.087 120.400 -0.137 0.000 2.063 309 K HA -0.262 4.057 4.320 -0.002 0.000 0.208 309 K C 2.266 178.886 176.600 0.033 0.000 1.048 309 K CA 1.965 58.253 56.287 0.001 0.000 0.928 309 K CB -0.222 32.294 32.500 0.027 0.000 0.713 309 K HN 0.578 nan 8.250 nan 0.000 0.442 310 E N 0.865 121.064 120.200 -0.000 0.000 2.051 310 E HA -0.250 4.099 4.350 -0.002 0.000 0.192 310 E C 2.158 178.790 176.600 0.054 0.000 0.991 310 E CA 1.204 57.620 56.400 0.026 0.000 0.799 310 E CB 0.078 29.785 29.700 0.012 0.000 0.748 310 E HN 0.120 nan 8.360 nan 0.000 0.449 311 R N -0.466 120.055 120.500 0.035 0.000 2.090 311 R HA -0.098 4.241 4.340 -0.002 0.000 0.228 311 R C 2.065 178.519 176.300 0.256 0.000 1.110 311 R CA 1.351 57.515 56.100 0.107 0.000 0.973 311 R CB -0.419 29.940 30.300 0.098 0.000 0.869 311 R HN 0.144 nan 8.270 nan 0.000 0.440 312 F N 0.791 120.779 119.950 0.063 0.000 2.234 312 F HA 0.140 4.666 4.527 -0.002 0.000 0.299 312 F C 2.338 178.150 175.800 0.020 0.000 1.087 312 F CA 0.562 58.583 58.000 0.035 0.000 1.340 312 F CB -1.126 37.897 39.000 0.038 0.000 1.031 312 F HN 0.225 nan 8.300 nan 0.000 0.500 313 A N -0.092 122.855 122.820 0.212 0.000 1.972 313 A HA -0.184 4.135 4.320 -0.002 0.000 0.219 313 A C 2.141 179.779 177.584 0.089 0.000 1.169 313 A CA 1.531 53.638 52.037 0.117 0.000 0.635 313 A CB -0.691 18.361 19.000 0.087 0.000 0.810 313 A HN 0.409 nan 8.150 nan 0.000 0.446 314 E N -0.481 119.780 120.200 0.101 0.000 2.204 314 E HA -0.042 4.307 4.350 -0.002 0.000 0.194 314 E C 1.231 177.868 176.600 0.061 0.000 0.989 314 E CA 0.826 57.270 56.400 0.074 0.000 0.824 314 E CB -0.122 29.625 29.700 0.079 0.000 0.756 314 E HN 0.626 nan 8.360 nan 0.000 0.477 315 L N 0.285 121.554 121.223 0.077 0.000 2.640 315 L HA 0.161 4.500 4.340 -0.002 0.000 0.230 315 L C 0.409 177.269 176.870 -0.016 0.000 1.123 315 L CA -0.315 54.541 54.840 0.028 0.000 0.900 315 L CB 0.023 42.102 42.059 0.033 0.000 1.146 315 L HN 0.092 nan 8.230 nan 0.000 0.484 316 N N 1.497 120.199 118.700 0.002 0.000 2.754 316 N HA -0.215 4.524 4.740 -0.002 0.000 0.248 316 N C -0.533 174.935 175.510 -0.071 0.000 1.093 316 N CA 0.509 53.546 53.050 -0.021 0.000 0.699 316 N CB -1.317 37.154 38.487 -0.027 0.000 1.016 316 N HN 0.346 nan 8.380 nan 0.000 0.552 317 I N 0.648 121.155 120.570 -0.105 0.000 2.321 317 I HA 0.417 4.586 4.170 -0.002 0.000 0.291 317 I C 1.033 177.070 176.117 -0.133 0.000 0.998 317 I CA -0.702 60.448 61.300 -0.249 0.000 1.227 317 I CB 1.363 38.955 38.000 -0.681 0.000 1.368 317 I HN 0.300 nan 8.210 nan 0.000 0.466 318 A N 6.578 129.339 122.820 -0.098 0.000 2.488 318 A HA 0.458 4.777 4.320 -0.002 0.000 0.249 318 A C 0.007 177.605 177.584 0.023 0.000 1.083 318 A CA -0.150 51.876 52.037 -0.017 0.000 0.768 318 A CB -0.101 18.888 19.000 -0.017 0.000 1.017 318 A HN 0.994 nan 8.150 nan 0.000 0.496 319 C N -0.419 118.942 119.300 0.102 0.000 3.306 319 C HA 0.971 5.430 4.460 -0.002 0.000 0.335 319 C C -0.388 174.685 174.990 0.138 0.000 1.382 319 C CA -0.140 58.976 59.018 0.163 0.000 1.254 319 C CB 0.902 28.842 27.740 0.333 0.000 1.555 319 C HN 2.369 nan 8.230 nan 0.000 0.463 320 A N 0.929 123.832 122.820 0.138 0.000 2.605 320 A HA 0.746 5.065 4.320 -0.002 0.000 0.294 320 A C -1.109 176.544 177.584 0.115 0.000 1.062 320 A CA -0.461 51.644 52.037 0.112 0.000 0.682 320 A CB 1.071 20.127 19.000 0.093 0.000 1.278 320 A HN 1.233 nan 8.150 nan 0.000 0.410 321 K N 1.108 121.566 120.400 0.098 0.000 2.401 321 K HA 0.381 4.700 4.320 -0.002 0.000 0.278 321 K C -0.415 176.242 176.600 0.095 0.000 1.018 321 K CA -0.193 56.152 56.287 0.096 0.000 0.981 321 K CB 0.431 32.975 32.500 0.073 0.000 0.933 321 K HN 0.464 nan 8.250 nan 0.000 0.477 322 V N 6.947 126.928 119.914 0.112 0.000 2.403 322 V HA 0.045 4.164 4.120 -0.002 0.000 0.265 322 V C 0.335 176.475 176.094 0.078 0.000 1.034 322 V CA -0.024 62.330 62.300 0.091 0.000 1.036 322 V CB -0.291 31.589 31.823 0.095 0.000 1.032 322 V HN 0.614 nan 8.190 nan 0.000 0.478 323 L N 5.282 126.537 121.223 0.055 0.000 2.334 323 L HA 0.501 4.840 4.340 -0.002 0.000 0.277 323 L C 0.869 177.751 176.870 0.020 0.000 1.075 323 L CA -0.341 54.518 54.840 0.032 0.000 0.804 323 L CB 1.640 43.708 42.059 0.016 0.000 1.174 323 L HN 0.718 nan 8.230 nan 0.000 0.438 324 T N -1.395 113.165 114.554 0.009 0.000 2.918 324 T HA 0.265 4.614 4.350 -0.002 0.000 0.283 324 T C 1.296 175.981 174.700 -0.025 0.000 1.001 324 T CA -0.893 61.208 62.100 0.002 0.000 1.041 324 T CB 1.750 70.623 68.868 0.008 0.000 1.028 324 T HN 0.240 nan 8.240 nan 0.000 0.511 325 V N 2.299 122.201 119.914 -0.021 0.000 2.278 325 V HA -0.114 4.005 4.120 -0.002 0.000 0.251 325 V C -0.510 175.550 176.094 -0.057 0.000 1.062 325 V CA 1.927 64.206 62.300 -0.035 0.000 1.038 325 V CB -1.700 30.115 31.823 -0.014 0.000 0.646 325 V HN 0.816 nan 8.190 nan 0.000 0.447 326 P HA -0.082 nan 4.420 nan 0.000 0.231 326 P C 1.165 178.426 177.300 -0.067 0.000 1.158 326 P CA 1.004 64.076 63.100 -0.047 0.000 0.763 326 P CB -0.054 31.629 31.700 -0.028 0.000 0.805 327 E N -1.231 118.919 120.200 -0.082 0.000 2.472 327 E HA 0.084 4.433 4.350 -0.002 0.000 0.196 327 E C 1.606 178.091 176.600 -0.192 0.000 1.033 327 E CA 0.022 56.363 56.400 -0.099 0.000 0.886 327 E CB -0.206 29.456 29.700 -0.063 0.000 0.944 327 E HN 0.264 nan 8.360 nan 0.000 0.492 328 L N 0.737 121.793 121.223 -0.280 0.000 2.044 328 L HA -0.122 4.217 4.340 -0.002 0.000 0.205 328 L C 2.214 178.718 176.870 -0.610 0.000 1.075 328 L CA 1.218 55.683 54.840 -0.626 0.000 0.747 328 L CB -0.401 41.294 42.059 -0.606 0.000 0.903 328 L HN 0.100 nan 8.230 nan 0.000 0.435 329 E N 0.390 120.419 120.200 -0.285 0.000 2.118 329 E HA -0.205 4.144 4.350 -0.002 0.000 0.195 329 E C 2.071 178.625 176.600 -0.077 0.000 0.992 329 E CA 1.757 58.077 56.400 -0.135 0.000 0.804 329 E CB -0.036 29.626 29.700 -0.062 0.000 0.741 329 E HN 0.524 nan 8.360 nan 0.000 0.458 330 S N 0.316 115.965 115.700 -0.085 0.000 2.556 330 S HA 0.010 4.479 4.470 -0.002 0.000 0.216 330 S C 0.627 175.219 174.600 -0.013 0.000 0.970 330 S CA -0.479 57.703 58.200 -0.031 0.000 0.912 330 S CB -0.068 63.116 63.200 -0.026 0.000 0.790 330 S HN 0.098 nan 8.310 nan 0.000 0.504 331 N N 3.066 121.739 118.700 -0.045 0.000 2.447 331 N HA 0.084 4.822 4.740 -0.002 0.000 0.263 331 N C -1.967 173.616 175.510 0.122 0.000 1.226 331 N CA -1.018 52.055 53.050 0.038 0.000 0.906 331 N CB 1.208 39.723 38.487 0.048 0.000 1.060 331 N HN 0.013 nan 8.380 nan 0.000 0.468 332 P HA -0.123 nan 4.420 nan 0.000 0.218 332 P C 1.068 178.429 177.300 0.102 0.000 1.148 332 P CA 1.098 64.248 63.100 0.084 0.000 0.822 332 P CB 0.321 32.056 31.700 0.058 0.000 0.784 333 Q N -1.350 118.527 119.800 0.127 0.000 2.079 333 Q HA -0.182 4.157 4.340 -0.002 0.000 0.200 333 Q C 1.870 177.921 176.000 0.084 0.000 0.974 333 Q CA 1.736 57.593 55.803 0.090 0.000 0.840 333 Q CB -1.085 27.695 28.738 0.070 0.000 0.898 333 Q HN 0.208 nan 8.270 nan 0.000 0.430 334 Y N -0.916 119.396 120.300 0.019 0.000 2.097 334 Y HA -0.235 4.314 4.550 -0.002 0.000 0.282 334 Y C 2.268 178.183 175.900 0.025 0.000 1.152 334 Y CA 1.479 59.593 58.100 0.023 0.000 1.136 334 Y CB -0.591 37.883 38.460 0.025 0.000 0.975 334 Y HN -0.034 nan 8.280 nan 0.000 0.498 335 V N -0.300 119.733 119.914 0.197 0.000 2.261 335 V HA -0.356 3.763 4.120 -0.002 0.000 0.246 335 V C 2.517 178.658 176.094 0.077 0.000 1.047 335 V CA 1.826 64.195 62.300 0.116 0.000 1.015 335 V CB -1.463 30.411 31.823 0.085 0.000 0.642 335 V HN 0.476 nan 8.190 nan 0.000 0.446 336 A N -0.034 122.825 122.820 0.064 0.000 1.940 336 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 336 A C 2.261 179.861 177.584 0.025 0.000 1.176 336 A CA 1.866 53.926 52.037 0.038 0.000 0.631 336 A CB -0.418 18.600 19.000 0.030 0.000 0.814 336 A HN 0.584 nan 8.150 nan 0.000 0.446 337 R N -1.284 119.226 120.500 0.016 0.000 2.334 337 R HA 0.173 4.512 4.340 -0.002 0.000 0.216 337 R C -0.071 176.235 176.300 0.010 0.000 0.905 337 R CA 0.374 56.471 56.100 -0.006 0.000 1.064 337 R CB 0.089 30.359 30.300 -0.050 0.000 1.046 337 R HN 0.642 nan 8.270 nan 0.000 0.508 338 E N 0.966 121.190 120.200 0.040 0.000 2.269 338 E HA -0.242 4.107 4.350 -0.002 0.000 0.223 338 E C -0.065 176.574 176.600 0.066 0.000 1.244 338 E CA 0.140 56.579 56.400 0.064 0.000 0.713 338 E CB -0.676 29.060 29.700 0.061 0.000 1.178 338 E HN 0.233 nan 8.360 nan 0.000 0.370 339 S N -0.548 115.183 115.700 0.052 0.000 2.402 339 S HA -0.009 4.460 4.470 -0.002 0.000 0.229 339 S C 0.992 175.669 174.600 0.129 0.000 1.021 339 S CA 0.773 58.984 58.200 0.019 0.000 0.974 339 S CB 0.188 63.273 63.200 -0.192 0.000 0.800 339 S HN 0.369 nan 8.310 nan 0.000 0.484 340 I N 0.597 121.283 120.570 0.195 0.000 2.404 340 I HA 0.375 4.544 4.170 -0.002 0.000 0.293 340 I C 0.127 176.346 176.117 0.170 0.000 0.992 340 I CA -0.202 61.220 61.300 0.203 0.000 1.149 340 I CB 2.173 40.299 38.000 0.210 0.000 1.315 340 I HN -0.014 nan 8.210 nan 0.000 0.446 341 T N 4.265 118.943 114.554 0.207 0.000 2.669 341 T HA 0.537 4.886 4.350 -0.002 0.000 0.283 341 T C -1.325 173.495 174.700 0.200 0.000 1.019 341 T CA -0.433 61.786 62.100 0.199 0.000 1.039 341 T CB 1.777 70.775 68.868 0.217 0.000 1.374 341 T HN 0.606 nan 8.240 nan 0.000 0.523 342 Q N -0.297 119.614 119.800 0.185 0.000 2.451 342 Q HA 0.676 5.015 4.340 -0.002 0.000 0.281 342 Q C -1.701 174.455 176.000 0.259 0.000 1.099 342 Q CA -0.886 54.954 55.803 0.062 0.000 0.806 342 Q CB 2.558 31.271 28.738 -0.040 0.000 1.419 342 Q HN 0.736 nan 8.270 nan 0.000 0.427 343 W N -0.698 120.604 121.300 0.004 0.000 3.025 343 W HA 0.498 5.158 4.660 -0.002 0.000 0.343 343 W C -1.531 174.983 176.519 -0.009 0.000 1.246 343 W CA -0.875 56.466 57.345 -0.006 0.000 1.178 343 W CB 0.738 30.187 29.460 -0.018 0.000 1.463 343 W HN 0.225 nan 8.180 nan 0.000 0.578 344 Q N 2.191 122.114 119.800 0.204 0.000 2.256 344 Q HA 0.293 4.632 4.340 -0.002 0.000 0.254 344 Q C 0.479 176.583 176.000 0.172 0.000 0.916 344 Q CA -0.331 55.525 55.803 0.088 0.000 0.932 344 Q CB 1.674 30.456 28.738 0.073 0.000 1.207 344 Q HN 0.608 nan 8.270 nan 0.000 0.426 345 T N -1.367 113.230 114.554 0.072 0.000 2.813 345 T HA 0.130 4.479 4.350 -0.002 0.000 0.297 345 T C 1.254 175.995 174.700 0.069 0.000 1.036 345 T CA -0.452 61.708 62.100 0.101 0.000 1.044 345 T CB 0.565 69.464 68.868 0.050 0.000 0.993 345 T HN 0.537 nan 8.240 nan 0.000 0.535 346 M N 1.399 121.035 119.600 0.059 0.000 2.267 346 M HA -0.074 4.405 4.480 -0.002 0.000 0.263 346 M C 1.464 177.785 176.300 0.035 0.000 1.063 346 M CA 1.599 56.922 55.300 0.038 0.000 1.090 346 M CB -0.452 32.167 32.600 0.033 0.000 1.392 346 M HN 0.833 nan 8.290 nan 0.000 0.422 347 D N -2.164 118.256 120.400 0.034 0.000 2.342 347 D HA 0.182 4.821 4.640 -0.002 0.000 0.221 347 D C 1.202 177.513 176.300 0.019 0.000 1.101 347 D CA 0.737 54.753 54.000 0.026 0.000 0.837 347 D CB -0.439 40.375 40.800 0.024 0.000 0.938 347 D HN 0.447 nan 8.370 nan 0.000 0.508 348 G N 0.887 109.699 108.800 0.021 0.000 2.141 348 G HA2 -0.302 3.657 3.960 -0.002 0.000 0.242 348 G HA3 -0.302 3.657 3.960 -0.002 0.000 0.242 348 G C 0.181 175.079 174.900 -0.002 0.000 0.982 348 G CA -0.236 44.873 45.100 0.014 0.000 0.662 348 G HN 0.413 nan 8.290 nan 0.000 0.527 349 R N 0.265 120.757 120.500 -0.013 0.000 2.528 349 R HA 0.582 4.921 4.340 -0.002 0.000 0.271 349 R C 0.327 176.580 176.300 -0.078 0.000 1.056 349 R CA 0.024 56.100 56.100 -0.039 0.000 1.117 349 R CB 0.610 30.886 30.300 -0.041 0.000 1.085 349 R HN 0.147 nan 8.270 nan 0.000 0.530 350 T N 0.751 115.244 114.554 -0.102 0.000 2.817 350 T HA 0.198 4.547 4.350 -0.002 0.000 0.293 350 T C -0.519 174.013 174.700 -0.279 0.000 0.964 350 T CA -0.290 61.712 62.100 -0.163 0.000 1.085 350 T CB 0.622 69.419 68.868 -0.118 0.000 0.921 350 T HN 0.468 nan 8.240 nan 0.000 0.502 351 C N 4.260 123.248 119.300 -0.520 0.000 2.455 351 C HA 0.693 5.152 4.460 -0.002 0.000 0.320 351 C C -0.201 174.176 174.990 -1.020 0.000 1.226 351 C CA -0.858 57.672 59.018 -0.814 0.000 1.569 351 C CB 0.521 27.556 27.740 -1.174 0.000 2.200 351 C HN 0.981 nan 8.230 nan 0.000 0.491 352 K N 3.437 123.431 120.400 -0.677 0.000 2.207 352 K HA 0.773 5.092 4.320 -0.002 0.000 0.255 352 K C -0.084 176.353 176.600 -0.272 0.000 0.941 352 K CA 0.003 56.033 56.287 -0.428 0.000 0.825 352 K CB 1.700 34.091 32.500 -0.182 0.000 1.119 352 K HN 1.109 nan 8.250 nan 0.000 0.430 353 G N 2.635 111.461 108.800 0.044 0.000 2.315 353 G HA2 0.165 4.124 3.960 -0.002 0.000 0.294 353 G HA3 0.165 4.124 3.960 -0.002 0.000 0.294 353 G C -3.213 171.937 174.900 0.417 0.000 1.300 353 G CA -1.017 44.270 45.100 0.312 0.000 0.843 353 G HN 0.373 nan 8.290 nan 0.000 0.527 354 P HA 0.118 nan 4.420 nan 0.000 0.266 354 P C 0.009 177.425 177.300 0.193 0.000 1.195 354 P CA -0.249 62.983 63.100 0.220 0.000 0.768 354 P CB 0.512 32.307 31.700 0.159 0.000 0.838 355 N N 2.078 120.867 118.700 0.149 0.000 2.317 355 N HA 0.077 4.816 4.740 -0.002 0.000 0.245 355 N C 0.037 175.589 175.510 0.070 0.000 1.294 355 N CA -0.273 52.839 53.050 0.104 0.000 0.924 355 N CB 0.130 38.675 38.487 0.096 0.000 1.186 355 N HN 0.153 nan 8.380 nan 0.000 0.495 356 I N 1.697 122.311 120.570 0.073 0.000 2.775 356 I HA -0.083 4.086 4.170 -0.002 0.000 0.290 356 I C 0.642 176.845 176.117 0.143 0.000 1.203 356 I CA 0.426 61.809 61.300 0.137 0.000 1.433 356 I CB -0.978 37.147 38.000 0.209 0.000 1.354 356 I HN 0.526 nan 8.210 nan 0.000 0.579 357 M N 8.315 128.030 119.600 0.193 0.000 2.572 357 M HA 0.790 5.269 4.480 -0.002 0.000 0.299 357 M C -2.851 173.617 176.300 0.281 0.000 1.205 357 M CA -1.506 53.879 55.300 0.142 0.000 0.876 357 M CB 1.564 34.210 32.600 0.076 0.000 1.728 357 M HN 0.169 nan 8.290 nan 0.000 0.458 358 P HA 0.333 nan 4.420 nan 0.000 0.302 358 P C -1.255 175.866 177.300 -0.299 0.000 1.307 358 P CA -0.438 62.539 63.100 -0.206 0.000 0.754 358 P CB 0.502 31.975 31.700 -0.378 0.000 1.298 359 K N 0.150 120.368 120.400 -0.302 0.000 2.263 359 K HA 0.333 4.652 4.320 -0.002 0.000 0.282 359 K C -0.551 175.849 176.600 -0.334 0.000 1.089 359 K CA -0.203 55.960 56.287 -0.206 0.000 0.907 359 K CB -0.171 32.265 32.500 -0.108 0.000 1.148 359 K HN 0.293 nan 8.250 nan 0.000 0.470 360 F N 2.578 122.446 119.950 -0.136 0.000 2.438 360 F HA 0.085 4.611 4.527 -0.002 0.000 0.356 360 F C 1.694 177.447 175.800 -0.078 0.000 1.099 360 F CA -0.300 57.614 58.000 -0.143 0.000 1.185 360 F CB 0.985 39.872 39.000 -0.188 0.000 1.115 360 F HN 0.475 nan 8.300 nan 0.000 0.526 361 K N 2.179 122.625 120.400 0.077 0.000 1.973 361 K HA -0.153 4.166 4.320 -0.002 0.000 0.210 361 K C 1.594 178.231 176.600 0.060 0.000 1.045 361 K CA 1.710 58.023 56.287 0.044 0.000 0.937 361 K CB -0.002 32.506 32.500 0.013 0.000 0.721 361 K HN 0.505 nan 8.250 nan 0.000 0.438 362 N N 0.508 119.245 118.700 0.061 0.000 2.300 362 N HA -0.062 4.677 4.740 -0.002 0.000 0.179 362 N C -0.242 175.293 175.510 0.041 0.000 1.016 362 N CA 0.789 53.863 53.050 0.040 0.000 0.876 362 N CB 0.051 38.552 38.487 0.023 0.000 0.979 362 N HN 0.227 nan 8.380 nan 0.000 0.432 363 N N 1.083 119.813 118.700 0.049 0.000 2.765 363 N HA 0.212 4.951 4.740 -0.002 0.000 0.277 363 N C -2.809 172.741 175.510 0.066 0.000 1.750 363 N CA -0.839 52.224 53.050 0.020 0.000 0.827 363 N CB 2.010 40.449 38.487 -0.079 0.000 1.200 363 N HN 0.132 nan 8.380 nan 0.000 0.494 364 P HA 0.041 nan 4.420 nan 0.000 0.268 364 P C 0.798 178.262 177.300 0.274 0.000 1.205 364 P CA 0.172 63.395 63.100 0.206 0.000 0.771 364 P CB 0.925 32.709 31.700 0.141 0.000 0.858 365 G N 2.499 111.510 108.800 0.352 0.000 2.699 365 G HA2 0.354 4.313 3.960 -0.002 0.000 0.246 365 G HA3 0.354 4.313 3.960 -0.002 0.000 0.246 365 G C -0.365 174.693 174.900 0.263 0.000 1.219 365 G CA -0.231 45.180 45.100 0.518 0.000 0.866 365 G HN 0.764 nan 8.290 nan 0.000 0.572 366 Q N -1.566 118.278 119.800 0.073 0.000 2.522 366 Q HA 0.482 4.821 4.340 -0.002 0.000 0.285 366 Q C -1.604 174.299 176.000 -0.161 0.000 0.982 366 Q CA -0.964 54.719 55.803 -0.200 0.000 0.805 366 Q CB 1.338 29.790 28.738 -0.478 0.000 1.457 366 Q HN 0.423 nan 8.270 nan 0.000 0.394 367 I N 3.053 123.550 120.570 -0.122 0.000 2.291 367 I HA 0.223 4.392 4.170 -0.002 0.000 0.290 367 I C 0.440 176.513 176.117 -0.073 0.000 1.050 367 I CA -0.555 60.652 61.300 -0.155 0.000 1.245 367 I CB 0.368 38.208 38.000 -0.266 0.000 1.405 367 I HN 0.744 nan 8.210 nan 0.000 0.478 368 W N 5.147 126.340 121.300 -0.179 0.000 2.993 368 W HA 0.450 5.110 4.660 -0.001 0.000 0.290 368 W C 0.217 176.712 176.519 -0.040 0.000 1.203 368 W CA -0.047 57.231 57.345 -0.112 0.000 1.582 368 W CB -0.134 29.261 29.460 -0.110 0.000 1.033 368 W HN 0.406 nan 8.180 nan 0.000 0.594 369 R N 1.235 121.256 120.500 -0.798 0.000 2.626 369 R HA 0.578 4.917 4.340 -0.002 0.000 0.274 369 R C -0.049 175.981 176.300 -0.451 0.000 1.031 369 R CA -0.130 55.562 56.100 -0.680 0.000 0.898 369 R CB 0.180 29.764 30.300 -1.194 0.000 1.222 369 R HN 0.197 nan 8.270 nan 0.000 0.455 370 G N 0.316 109.007 108.800 -0.183 0.000 2.653 370 G HA2 0.463 4.422 3.960 -0.002 0.000 0.265 370 G HA3 0.463 4.422 3.960 -0.002 0.000 0.265 370 G C 0.500 175.352 174.900 -0.080 0.000 1.237 370 G CA -0.361 44.719 45.100 -0.034 0.000 0.946 370 G HN 0.965 nan 8.290 nan 0.000 0.522 371 M N 1.942 121.554 119.600 0.020 0.000 2.284 371 M HA 0.122 4.601 4.480 -0.002 0.000 0.351 371 M C -1.857 174.502 176.300 0.099 0.000 1.443 371 M CA -0.919 54.424 55.300 0.071 0.000 1.031 371 M CB 0.752 33.426 32.600 0.123 0.000 1.893 371 M HN 0.209 nan 8.290 nan 0.000 0.456 372 P HA 0.194 nan 4.420 nan 0.000 0.277 372 P C -1.029 176.340 177.300 0.115 0.000 1.240 372 P CA -0.455 62.706 63.100 0.101 0.000 0.798 372 P CB 0.752 32.503 31.700 0.085 0.000 0.979 373 S N 0.451 116.183 115.700 0.053 0.000 2.624 373 S HA 0.071 4.540 4.470 -0.002 0.000 0.263 373 S C 0.350 174.943 174.600 -0.011 0.000 1.287 373 S CA -0.538 57.686 58.200 0.040 0.000 0.990 373 S CB -0.187 63.033 63.200 0.034 0.000 0.950 373 S HN 0.601 nan 8.310 nan 0.000 0.561 374 H N 0.234 119.227 119.070 -0.128 0.000 3.145 374 H HA 0.232 4.787 4.556 -0.002 0.000 0.288 374 H C 1.603 176.831 175.328 -0.166 0.000 0.969 374 H CA 0.792 56.719 56.048 -0.201 0.000 1.444 374 H CB -0.611 29.067 29.762 -0.141 0.000 1.500 374 H HN 1.168 nan 8.280 nan 0.000 0.552 375 G N 2.984 111.590 108.800 -0.323 0.000 2.155 375 G HA2 -0.473 3.486 3.960 -0.002 0.000 0.257 375 G HA3 -0.473 3.486 3.960 -0.002 0.000 0.257 375 G C 1.354 176.151 174.900 -0.171 0.000 0.983 375 G CA 0.775 45.684 45.100 -0.319 0.000 0.676 375 G HN 0.802 nan 8.290 nan 0.000 0.528 376 M N -1.874 117.659 119.600 -0.110 0.000 2.143 376 M HA 0.178 4.657 4.480 -0.002 0.000 0.258 376 M C 2.153 178.443 176.300 -0.018 0.000 1.071 376 M CA 3.544 58.816 55.300 -0.045 0.000 1.088 376 M CB -1.431 31.163 32.600 -0.010 0.000 1.360 376 M HN 1.603 nan 8.290 nan 0.000 0.404 377 D N -2.042 118.351 120.400 -0.011 0.000 2.469 377 D HA 0.464 5.103 4.640 -0.002 0.000 0.215 377 D C 1.732 178.028 176.300 -0.007 0.000 1.154 377 D CA 1.312 55.329 54.000 0.029 0.000 0.832 377 D CB -1.212 39.658 40.800 0.117 0.000 1.008 377 D HN 0.805 nan 8.370 nan 0.000 0.506 378 T N -0.547 113.975 114.554 -0.052 0.000 2.759 378 T HA 0.223 4.572 4.350 -0.002 0.000 0.269 378 T C 2.341 177.012 174.700 -0.050 0.000 1.042 378 T CA 2.502 64.561 62.100 -0.068 0.000 1.140 378 T CB -0.306 68.495 68.868 -0.111 0.000 0.864 378 T HN 0.611 nan 8.240 nan 0.000 0.455 379 A N 0.737 123.532 122.820 -0.041 0.000 2.016 379 A HA 0.564 4.883 4.320 -0.002 0.000 0.217 379 A C 2.754 180.326 177.584 -0.020 0.000 1.162 379 A CA 1.511 53.529 52.037 -0.031 0.000 0.662 379 A CB -0.545 18.438 19.000 -0.028 0.000 0.812 379 A HN 0.714 nan 8.150 nan 0.000 0.450 380 A N -0.345 122.470 122.820 -0.009 0.000 2.021 380 A HA 0.301 4.620 4.320 -0.002 0.000 0.216 380 A C 2.199 179.775 177.584 -0.014 0.000 1.163 380 A CA 1.382 53.419 52.037 -0.000 0.000 0.676 380 A CB -0.806 18.209 19.000 0.025 0.000 0.818 380 A HN 0.999 nan 8.150 nan 0.000 0.453 381 I N -0.907 119.649 120.570 -0.023 0.000 2.333 381 I HA 0.249 4.418 4.170 -0.002 0.000 0.246 381 I C 2.805 178.896 176.117 -0.044 0.000 1.106 381 I CA 1.814 63.090 61.300 -0.040 0.000 1.411 381 I CB -1.739 36.236 38.000 -0.042 0.000 1.082 381 I HN 0.524 nan 8.210 nan 0.000 0.420 382 L N 0.783 121.982 121.223 -0.040 0.000 2.083 382 L HA 0.024 4.363 4.340 -0.002 0.000 0.209 382 L C 2.900 179.748 176.870 -0.035 0.000 1.083 382 L CA 3.131 57.947 54.840 -0.040 0.000 0.752 382 L CB -2.320 39.715 42.059 -0.038 0.000 0.899 382 L HN 0.793 nan 8.230 nan 0.000 0.433 383 K N 0.269 120.651 120.400 -0.030 0.000 2.155 383 K HA -0.052 4.267 4.320 -0.002 0.000 0.203 383 K C 2.126 178.709 176.600 -0.027 0.000 1.052 383 K CA 1.903 58.175 56.287 -0.025 0.000 0.948 383 K CB -2.144 30.345 32.500 -0.018 0.000 0.728 383 K HN 0.980 nan 8.250 nan 0.000 0.448 384 N N 0.515 119.195 118.700 -0.033 0.000 2.270 384 N HA 0.115 4.854 4.740 -0.002 0.000 0.181 384 N C 2.095 177.579 175.510 -0.043 0.000 1.016 384 N CA 1.814 54.841 53.050 -0.038 0.000 0.870 384 N CB -0.724 37.734 38.487 -0.047 0.000 0.979 384 N HN 0.824 nan 8.380 nan 0.000 0.431 385 I N -0.778 119.763 120.570 -0.048 0.000 3.680 385 I HA 0.573 4.742 4.170 -0.002 0.000 0.306 385 I C 2.114 178.206 176.117 -0.042 0.000 1.260 385 I CA 0.972 62.240 61.300 -0.053 0.000 1.201 385 I CB -1.604 36.357 38.000 -0.066 0.000 1.009 385 I HN 1.058 nan 8.210 nan 0.000 0.467 386 G N -2.208 106.572 108.800 -0.034 0.000 2.195 386 G HA2 0.037 3.996 3.960 -0.002 0.000 0.246 386 G HA3 0.037 3.996 3.960 -0.002 0.000 0.246 386 G C 0.405 175.291 174.900 -0.023 0.000 0.984 386 G CA 0.180 45.264 45.100 -0.026 0.000 0.633 386 G HN 2.280 nan 8.290 nan 0.000 0.525 387 Y N 0.761 121.045 120.300 -0.026 0.000 2.511 387 Y HA 0.768 5.317 4.550 -0.002 0.000 0.332 387 Y C 1.104 176.992 175.900 -0.020 0.000 1.177 387 Y CA 0.181 58.267 58.100 -0.023 0.000 1.422 387 Y CB -0.247 38.197 38.460 -0.027 0.000 1.271 387 Y HN 1.706 nan 8.280 nan 0.000 0.550 388 S N 1.527 117.218 115.700 -0.016 0.000 2.580 388 S HA 0.420 4.889 4.470 -0.002 0.000 0.266 388 S C 1.603 176.194 174.600 -0.015 0.000 1.354 388 S CA 0.262 58.453 58.200 -0.014 0.000 1.008 388 S CB -0.289 62.904 63.200 -0.012 0.000 0.898 388 S HN 1.734 nan 8.310 nan 0.000 0.555 389 E N 0.421 120.614 120.200 -0.013 0.000 2.077 389 E HA -0.138 4.211 4.350 -0.002 0.000 0.193 389 E C 2.196 178.788 176.600 -0.013 0.000 0.989 389 E CA 2.123 58.516 56.400 -0.012 0.000 0.800 389 E CB -2.016 27.678 29.700 -0.010 0.000 0.746 389 E HN 1.016 nan 8.360 nan 0.000 0.452 390 N N 0.867 119.560 118.700 -0.011 0.000 2.106 390 N HA -0.091 4.648 4.740 -0.002 0.000 0.188 390 N C 2.302 177.804 175.510 -0.013 0.000 1.029 390 N CA 2.589 55.633 53.050 -0.011 0.000 0.848 390 N CB -1.552 36.930 38.487 -0.009 0.000 1.007 390 N HN 0.778 nan 8.380 nan 0.000 0.423 391 D N -0.122 120.270 120.400 -0.013 0.000 2.149 391 D HA 0.040 4.679 4.640 -0.002 0.000 0.194 391 D C 2.190 178.479 176.300 -0.018 0.000 1.001 391 D CA 3.109 57.100 54.000 -0.015 0.000 0.849 391 D CB -1.143 39.648 40.800 -0.015 0.000 0.939 391 D HN 0.948 nan 8.370 nan 0.000 0.449 392 I N -0.063 120.494 120.570 -0.020 0.000 2.546 392 I HA 0.312 4.481 4.170 -0.002 0.000 0.255 392 I C 2.946 179.048 176.117 -0.025 0.000 1.163 392 I CA 2.325 63.610 61.300 -0.025 0.000 1.457 392 I CB -1.801 36.183 38.000 -0.027 0.000 1.092 392 I HN 0.688 nan 8.210 nan 0.000 0.434 393 Q N 0.463 120.251 119.800 -0.021 0.000 2.119 393 Q HA -0.154 4.185 4.340 -0.002 0.000 0.201 393 Q C 2.171 178.159 176.000 -0.019 0.000 0.972 393 Q CA 2.598 58.389 55.803 -0.020 0.000 0.847 393 Q CB -1.492 27.236 28.738 -0.016 0.000 0.903 393 Q HN 1.093 nan 8.270 nan 0.000 0.433 394 E N 0.010 120.200 120.200 -0.017 0.000 2.208 394 E HA 0.228 4.577 4.350 -0.002 0.000 0.193 394 E C 2.389 178.979 176.600 -0.017 0.000 0.988 394 E CA 1.793 58.184 56.400 -0.015 0.000 0.828 394 E CB -1.265 28.427 29.700 -0.012 0.000 0.763 394 E HN 1.188 nan 8.360 nan 0.000 0.478 395 L N 0.702 121.912 121.223 -0.021 0.000 2.056 395 L HA 0.342 4.681 4.340 -0.002 0.000 0.207 395 L C 3.313 180.166 176.870 -0.029 0.000 1.078 395 L CA 2.654 57.479 54.840 -0.025 0.000 0.749 395 L CB -1.718 40.323 42.059 -0.030 0.000 0.901 395 L HN 0.653 nan 8.230 nan 0.000 0.433 396 V N -0.427 119.468 119.914 -0.032 0.000 2.252 396 V HA -0.230 3.889 4.120 -0.002 0.000 0.249 396 V C 3.008 179.085 176.094 -0.028 0.000 1.056 396 V CA 4.284 66.563 62.300 -0.036 0.000 1.022 396 V CB -1.393 30.408 31.823 -0.037 0.000 0.641 396 V HN 0.801 nan 8.190 nan 0.000 0.445 397 S N 0.486 116.173 115.700 -0.022 0.000 2.359 397 S HA -0.172 4.297 4.470 -0.002 0.000 0.224 397 S C 2.288 176.880 174.600 -0.014 0.000 1.035 397 S CA 3.065 61.255 58.200 -0.016 0.000 1.018 397 S CB -0.668 62.524 63.200 -0.013 0.000 0.876 397 S HN 1.102 nan 8.310 nan 0.000 0.448 398 K N 0.490 120.882 120.400 -0.014 0.000 2.555 398 K HA 0.407 4.726 4.320 -0.002 0.000 0.193 398 K C 1.787 178.380 176.600 -0.012 0.000 1.032 398 K CA 1.128 57.408 56.287 -0.011 0.000 1.004 398 K CB -1.586 30.907 32.500 -0.010 0.000 0.804 398 K HN 1.818 nan 8.250 nan 0.000 0.496 399 G N -2.897 105.894 108.800 -0.016 0.000 2.148 399 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.254 399 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.254 399 G C 1.365 176.254 174.900 -0.019 0.000 0.981 399 G CA 0.993 46.083 45.100 -0.016 0.000 0.670 399 G HN 1.389 nan 8.290 nan 0.000 0.528 400 L N -1.518 119.691 121.223 -0.023 0.000 2.095 400 L HA 0.785 5.124 4.340 -0.002 0.000 0.204 400 L C 1.875 178.720 176.870 -0.042 0.000 1.080 400 L CA 2.255 57.078 54.840 -0.028 0.000 0.759 400 L CB -0.997 41.047 42.059 -0.025 0.000 0.914 400 L HN 1.941 nan 8.230 nan 0.000 0.439 401 A N -1.002 121.790 122.820 -0.047 0.000 2.325 401 A HA 0.825 5.144 4.320 -0.002 0.000 0.333 401 A C 0.079 177.615 177.584 -0.080 0.000 1.155 401 A CA 0.232 52.229 52.037 -0.066 0.000 0.814 401 A CB 0.669 19.630 19.000 -0.064 0.000 1.206 401 A HN 1.145 nan 8.150 nan 0.000 0.482 402 K N -0.407 119.920 120.400 -0.122 0.000 2.399 402 K HA 0.997 5.316 4.320 -0.002 0.000 0.260 402 K C 1.011 177.448 176.600 -0.272 0.000 1.049 402 K CA 0.352 56.546 56.287 -0.155 0.000 0.890 402 K CB -0.186 32.248 32.500 -0.110 0.000 1.430 402 K HN 2.467 nan 8.250 nan 0.000 0.459 403 V N -1.023 118.729 119.914 -0.271 0.000 0.682 403 V HA -0.066 4.053 4.120 -0.002 0.000 0.092 403 V C 1.869 177.859 176.094 -0.173 0.000 0.911 403 V CA 5.442 67.585 62.300 -0.261 0.000 3.124 403 V CB -2.151 29.380 31.823 -0.486 0.000 0.267 403 V HN 2.974 nan 8.190 nan 0.000 0.218 404 E N -0.867 119.219 120.200 -0.189 0.000 2.442 404 E HA 0.393 4.742 4.350 -0.002 0.000 0.256 404 E C 0.846 177.402 176.600 -0.074 0.000 1.095 404 E CA 2.377 58.708 56.400 -0.114 0.000 0.747 404 E CB -2.734 26.913 29.700 -0.089 0.000 1.310 404 E HN 3.024 nan 8.360 nan 0.000 0.396 405 D N 0.000 120.357 120.400 -0.072 0.000 6.856 405 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 405 D CA 0.000 53.978 54.000 -0.036 0.000 0.868 405 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683