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 2b92_1_B DATA FIRST_RESID 6 DATA SEQUENCE HMTGPMCLIE NTNGRLMANP EALKILSAIT QPMVVVAIVG LYRTGKSYLM DATA SEQUENCE NKLAGKKKGF SLGSTVQSHT KGIWMWCVPH PKKPGHILVL LDTEGLGDVE DATA SEQUENCE KGDNQNDSWI FALAVLLSST FVYNSIGTIN QQAMDQLYYV TELTHRIRSK DATA SEQUENCE SSXXXXXXXX XXXXXFVSFF PDFVWTLRDF SLDLEADGQP LTPDEYLTYS DATA SEQUENCE LKLKKGTSQK DETFNLPRLC IRKFFPKKKC FVFDRPVHRR KLAQLEKLQD DATA SEQUENCE EELDPEFVQQ VADFCSYIFS NSKTKTLSGG IQVNGPRLES LVLTYVNAIS DATA SEQUENCE SGD 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.378 175.328 0.083 0.000 0.993 6 H CA 0.000 56.079 56.048 0.052 0.000 1.023 6 H CB 0.000 29.786 29.762 0.040 0.000 1.292 7 M N 2.880 122.697 119.600 0.362 0.000 2.077 7 M HA 0.133 4.612 4.480 -0.000 0.000 0.348 7 M C 1.209 177.751 176.300 0.403 0.000 1.252 7 M CA 0.388 55.892 55.300 0.341 0.000 1.096 7 M CB 1.094 33.932 32.600 0.397 0.000 1.568 7 M HN 0.559 nan 8.290 nan 0.000 0.456 8 T N 0.879 115.595 114.554 0.269 0.000 3.042 8 T HA 0.360 4.709 4.350 -0.000 0.000 0.245 8 T C 0.598 175.387 174.700 0.147 0.000 1.029 8 T CA 0.531 62.758 62.100 0.212 0.000 1.120 8 T CB 0.405 69.321 68.868 0.080 0.000 0.917 8 T HN 0.706 nan 8.240 nan 0.000 0.467 9 G N 1.018 109.749 108.800 -0.114 0.000 2.727 9 G HA2 0.654 4.614 3.960 -0.000 0.000 0.289 9 G HA3 0.654 4.614 3.960 -0.000 0.000 0.289 9 G C -3.261 171.096 174.900 -0.905 0.000 1.418 9 G CA -1.483 43.183 45.100 -0.724 0.000 0.818 9 G HN 0.064 nan 8.290 nan 0.000 0.486 10 P HA 0.458 nan 4.420 nan 0.000 0.275 10 P C -0.463 176.838 177.300 0.002 0.000 1.270 10 P CA -0.318 62.410 63.100 -0.621 0.000 0.791 10 P CB 0.659 31.997 31.700 -0.602 0.000 1.089 11 M N 0.075 119.810 119.600 0.224 0.000 2.325 11 M HA 0.286 4.766 4.480 -0.000 0.000 0.285 11 M C -1.240 174.850 176.300 -0.350 0.000 1.119 11 M CA -0.804 54.501 55.300 0.008 0.000 0.959 11 M CB 1.216 33.807 32.600 -0.016 0.000 1.737 11 M HN 0.398 nan 8.290 nan 0.000 0.486 12 C N 5.053 123.660 119.300 -1.155 0.000 2.590 12 C HA 0.142 4.602 4.460 -0.000 0.000 0.411 12 C C 1.231 175.920 174.990 -0.502 0.000 1.420 12 C CA -0.017 58.224 59.018 -1.295 0.000 1.643 12 C CB -0.437 26.550 27.740 -1.254 0.000 2.528 12 C HN 0.967 nan 8.230 nan 0.000 0.606 13 L N 6.920 127.951 121.223 -0.319 0.000 2.349 13 L HA 0.512 4.852 4.340 -0.000 0.000 0.200 13 L C 0.568 177.379 176.870 -0.099 0.000 1.064 13 L CA 1.338 56.103 54.840 -0.124 0.000 0.821 13 L CB -0.058 41.996 42.059 -0.008 0.000 1.027 13 L HN 0.667 nan 8.230 nan 0.000 0.476 14 I N 1.482 121.994 120.570 -0.096 0.000 2.382 14 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 14 I C -0.401 175.669 176.117 -0.079 0.000 1.007 14 I CA -0.439 60.829 61.300 -0.053 0.000 1.142 14 I CB 1.181 39.189 38.000 0.013 0.000 1.289 14 I HN 0.194 nan 8.210 nan 0.000 0.453 15 E N 4.443 124.597 120.200 -0.077 0.000 2.373 15 E HA 0.075 4.425 4.350 -0.000 0.000 0.267 15 E C -0.142 176.456 176.600 -0.004 0.000 1.032 15 E CA -0.024 56.342 56.400 -0.056 0.000 0.889 15 E CB 0.827 30.495 29.700 -0.054 0.000 0.984 15 E HN 0.318 nan 8.360 nan 0.000 0.425 16 N N 2.082 120.793 118.700 0.019 0.000 2.569 16 N HA 0.191 4.931 4.740 -0.000 0.000 0.254 16 N C -1.851 173.681 175.510 0.037 0.000 1.004 16 N CA -0.372 52.703 53.050 0.042 0.000 0.904 16 N CB 1.135 39.661 38.487 0.065 0.000 1.165 16 N HN 0.260 nan 8.380 nan 0.000 0.513 17 T N 1.734 116.308 114.554 0.032 0.000 2.881 17 T HA 0.353 4.703 4.350 -0.000 0.000 0.291 17 T C 0.035 174.753 174.700 0.030 0.000 0.990 17 T CA -0.778 61.338 62.100 0.027 0.000 0.976 17 T CB 0.230 69.108 68.868 0.017 0.000 0.970 17 T HN 0.575 nan 8.240 nan 0.000 0.438 18 N N 1.889 120.607 118.700 0.031 0.000 2.716 18 N HA -0.237 4.503 4.740 -0.000 0.000 0.250 18 N C 1.129 176.665 175.510 0.043 0.000 1.033 18 N CA 0.647 53.716 53.050 0.032 0.000 0.727 18 N CB -0.973 37.530 38.487 0.025 0.000 0.950 18 N HN 1.279 nan 8.380 nan 0.000 0.541 19 G N -0.831 108.002 108.800 0.056 0.000 2.162 19 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.260 19 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.260 19 G C 0.109 175.066 174.900 0.096 0.000 0.976 19 G CA 0.577 45.728 45.100 0.085 0.000 0.655 19 G HN 0.484 nan 8.290 nan 0.000 0.533 20 R N 0.141 120.679 120.500 0.063 0.000 2.310 20 R HA 0.708 5.047 4.340 -0.000 0.000 0.324 20 R C 0.413 176.733 176.300 0.034 0.000 0.955 20 R CA -0.694 55.432 56.100 0.044 0.000 0.830 20 R CB 0.443 30.758 30.300 0.024 0.000 1.154 20 R HN 0.240 nan 8.270 nan 0.000 0.458 21 L N 4.101 125.341 121.223 0.028 0.000 2.375 21 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 21 L C 0.248 177.116 176.870 -0.003 0.000 1.107 21 L CA -0.316 54.537 54.840 0.021 0.000 0.806 21 L CB 1.088 43.167 42.059 0.035 0.000 1.146 21 L HN 0.535 nan 8.230 nan 0.000 0.447 22 M N 2.056 121.653 119.600 -0.006 0.000 2.322 22 M HA 0.583 5.063 4.480 -0.000 0.000 0.285 22 M C -1.060 175.228 176.300 -0.021 0.000 1.119 22 M CA -0.459 54.832 55.300 -0.015 0.000 0.953 22 M CB 1.995 34.585 32.600 -0.016 0.000 1.701 22 M HN 0.719 nan 8.290 nan 0.000 0.479 23 A N 3.095 125.904 122.820 -0.018 0.000 2.483 23 A HA 0.244 4.564 4.320 -0.000 0.000 0.238 23 A C -0.289 177.272 177.584 -0.039 0.000 1.070 23 A CA -0.029 51.994 52.037 -0.023 0.000 0.770 23 A CB -0.003 18.989 19.000 -0.013 0.000 1.008 23 A HN 0.812 nan 8.150 nan 0.000 0.497 24 N N 2.570 121.236 118.700 -0.056 0.000 2.462 24 N HA 0.273 5.013 4.740 -0.000 0.000 0.242 24 N C -1.767 173.715 175.510 -0.047 0.000 1.010 24 N CA -2.391 50.619 53.050 -0.067 0.000 0.939 24 N CB 1.098 39.517 38.487 -0.114 0.000 1.127 24 N HN 0.178 nan 8.380 nan 0.000 0.509 25 P HA -0.186 nan 4.420 nan 0.000 0.216 25 P C 0.711 177.999 177.300 -0.021 0.000 1.154 25 P CA 1.253 64.338 63.100 -0.024 0.000 0.865 25 P CB 0.455 32.143 31.700 -0.021 0.000 0.789 26 E N -0.863 119.320 120.200 -0.028 0.000 2.409 26 E HA -0.034 4.316 4.350 -0.000 0.000 0.198 26 E C 1.885 178.476 176.600 -0.014 0.000 1.024 26 E CA 0.900 57.287 56.400 -0.020 0.000 0.861 26 E CB -0.815 28.869 29.700 -0.026 0.000 0.788 26 E HN 0.179 nan 8.360 nan 0.000 0.521 27 A N -0.606 122.200 122.820 -0.023 0.000 2.044 27 A HA 0.096 4.416 4.320 -0.000 0.000 0.213 27 A C 1.888 179.479 177.584 0.012 0.000 1.169 27 A CA 0.171 52.203 52.037 -0.008 0.000 0.724 27 A CB -0.118 18.863 19.000 -0.033 0.000 0.840 27 A HN 0.237 nan 8.150 nan 0.000 0.463 28 L N -0.682 120.543 121.223 0.003 0.000 2.072 28 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 28 L C 2.431 179.310 176.870 0.013 0.000 1.079 28 L CA 1.596 56.441 54.840 0.009 0.000 0.752 28 L CB -0.581 41.478 42.059 -0.001 0.000 0.906 28 L HN 0.317 nan 8.230 nan 0.000 0.436 29 K N 0.916 121.322 120.400 0.010 0.000 2.089 29 K HA -0.223 4.097 4.320 -0.000 0.000 0.210 29 K C 1.999 178.618 176.600 0.031 0.000 1.048 29 K CA 1.687 57.983 56.287 0.015 0.000 0.926 29 K CB -0.144 32.362 32.500 0.010 0.000 0.714 29 K HN 0.214 nan 8.250 nan 0.000 0.448 30 I N 0.283 120.877 120.570 0.040 0.000 2.193 30 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 30 I C 2.089 178.244 176.117 0.065 0.000 1.084 30 I CA 0.922 62.263 61.300 0.068 0.000 1.365 30 I CB -0.174 37.875 38.000 0.082 0.000 1.064 30 I HN 0.142 nan 8.210 nan 0.000 0.410 31 L N 0.539 121.793 121.223 0.052 0.000 2.081 31 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 31 L C 2.713 179.600 176.870 0.029 0.000 1.080 31 L CA 1.777 56.642 54.840 0.043 0.000 0.754 31 L CB -0.638 41.446 42.059 0.041 0.000 0.893 31 L HN 0.398 nan 8.230 nan 0.000 0.433 32 S N -0.434 115.281 115.700 0.025 0.000 2.481 32 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 32 S C 1.864 176.474 174.600 0.017 0.000 0.996 32 S CA 0.664 58.873 58.200 0.015 0.000 0.942 32 S CB -0.051 63.155 63.200 0.010 0.000 0.768 32 S HN 0.342 nan 8.310 nan 0.000 0.520 33 A N 0.595 123.433 122.820 0.029 0.000 2.195 33 A HA 0.478 4.798 4.320 -0.000 0.000 0.210 33 A C 0.731 178.324 177.584 0.016 0.000 1.165 33 A CA -0.153 51.904 52.037 0.033 0.000 0.806 33 A CB -0.303 18.736 19.000 0.064 0.000 0.847 33 A HN 0.581 nan 8.150 nan 0.000 0.482 34 I N 0.975 121.548 120.570 0.005 0.000 2.325 34 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 34 I C 1.313 177.417 176.117 -0.022 0.000 1.019 34 I CA 0.183 61.469 61.300 -0.024 0.000 1.302 34 I CB 1.732 39.716 38.000 -0.027 0.000 1.401 34 I HN 0.240 nan 8.210 nan 0.000 0.485 35 T N 0.701 115.234 114.554 -0.034 0.000 3.003 35 T HA 0.236 4.586 4.350 -0.000 0.000 0.261 35 T C 0.596 175.267 174.700 -0.048 0.000 1.003 35 T CA -0.353 61.727 62.100 -0.033 0.000 0.917 35 T CB 0.061 68.911 68.868 -0.031 0.000 1.084 35 T HN 0.478 nan 8.240 nan 0.000 0.522 36 Q N 3.019 122.784 119.800 -0.059 0.000 2.368 36 Q HA 0.415 4.755 4.340 -0.000 0.000 0.237 36 Q C -2.458 173.500 176.000 -0.069 0.000 0.987 36 Q CA -1.919 53.834 55.803 -0.085 0.000 0.896 36 Q CB 0.294 28.979 28.738 -0.088 0.000 1.241 36 Q HN 0.243 nan 8.270 nan 0.000 0.485 37 P HA -0.024 nan 4.420 nan 0.000 0.270 37 P C -0.970 176.371 177.300 0.068 0.000 1.223 37 P CA 0.399 63.466 63.100 -0.054 0.000 0.785 37 P CB 0.612 32.207 31.700 -0.175 0.000 0.923 38 M N 0.904 120.582 119.600 0.130 0.000 2.204 38 M HA 0.268 4.748 4.480 -0.000 0.000 0.293 38 M C -0.772 175.639 176.300 0.185 0.000 0.994 38 M CA -1.016 54.375 55.300 0.152 0.000 0.925 38 M CB 2.339 35.004 32.600 0.109 0.000 1.577 38 M HN -0.038 nan 8.290 nan 0.000 0.439 39 V N 4.196 124.236 119.914 0.210 0.000 2.461 39 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 39 V C -0.111 176.073 176.094 0.150 0.000 1.047 39 V CA -0.554 61.856 62.300 0.182 0.000 0.955 39 V CB 1.401 33.359 31.823 0.225 0.000 0.988 39 V HN 0.613 nan 8.190 nan 0.000 0.471 40 V N 5.952 125.956 119.914 0.151 0.000 2.378 40 V HA 0.459 4.579 4.120 -0.000 0.000 0.288 40 V C -0.259 175.927 176.094 0.153 0.000 1.016 40 V CA -0.507 61.885 62.300 0.154 0.000 0.840 40 V CB 1.864 33.791 31.823 0.173 0.000 0.994 40 V HN 0.608 nan 8.190 nan 0.000 0.431 41 V N 4.236 124.227 119.914 0.128 0.000 2.448 41 V HA 0.872 4.992 4.120 -0.000 0.000 0.295 41 V C 0.305 176.451 176.094 0.087 0.000 1.025 41 V CA -0.363 61.998 62.300 0.102 0.000 0.859 41 V CB 1.623 33.476 31.823 0.050 0.000 0.988 41 V HN 0.982 nan 8.190 nan 0.000 0.431 42 A N 5.246 128.105 122.820 0.064 0.000 2.354 42 A HA 0.979 5.299 4.320 -0.000 0.000 0.321 42 A C -0.980 176.477 177.584 -0.212 0.000 1.125 42 A CA -0.721 51.313 52.037 -0.004 0.000 0.799 42 A CB 1.631 20.707 19.000 0.127 0.000 1.293 42 A HN 0.886 nan 8.150 nan 0.000 0.452 43 I N 1.050 121.451 120.570 -0.282 0.000 2.656 43 I HA 0.655 4.825 4.170 -0.000 0.000 0.292 43 I C -1.294 174.538 176.117 -0.476 0.000 1.144 43 I CA -0.738 60.298 61.300 -0.440 0.000 1.038 43 I CB 1.924 39.728 38.000 -0.326 0.000 1.244 43 I HN 0.859 nan 8.210 nan 0.000 0.420 44 V N 5.429 124.929 119.914 -0.689 0.000 3.188 44 V HA 1.108 5.228 4.120 -0.000 0.000 0.305 44 V C -0.736 174.818 176.094 -0.900 0.000 1.232 44 V CA 0.352 62.252 62.300 -0.667 0.000 1.043 44 V CB 1.785 33.197 31.823 -0.685 0.000 1.068 44 V HN 1.207 nan 8.190 nan 0.000 0.439 45 G N 1.449 109.809 108.800 -0.733 0.000 2.339 45 G HA2 0.342 4.302 3.960 -0.000 0.000 0.302 45 G HA3 0.342 4.302 3.960 -0.000 0.000 0.302 45 G C -1.278 173.451 174.900 -0.285 0.000 1.425 45 G CA -0.644 44.032 45.100 -0.707 0.000 0.899 45 G HN 1.191 nan 8.290 nan 0.000 0.619 46 L N 0.670 121.825 121.223 -0.113 0.000 2.536 46 L HA 0.129 4.469 4.340 -0.000 0.000 0.294 46 L C 1.207 178.137 176.870 0.100 0.000 1.257 46 L CA -0.178 54.702 54.840 0.067 0.000 0.850 46 L CB 0.192 42.325 42.059 0.123 0.000 1.105 46 L HN 0.756 nan 8.230 nan 0.000 0.517 47 Y N 1.419 121.682 120.300 -0.061 0.000 2.357 47 Y HA 0.290 4.840 4.550 -0.000 0.000 0.340 47 Y C 0.506 176.378 175.900 -0.047 0.000 1.260 47 Y CA -1.471 56.595 58.100 -0.056 0.000 1.425 47 Y CB 0.511 38.953 38.460 -0.030 0.000 1.326 47 Y HN 0.534 nan 8.280 nan 0.000 0.580 48 R N 1.238 121.638 120.500 -0.167 0.000 3.201 48 R HA -0.163 4.177 4.340 -0.000 0.000 0.254 48 R C -0.154 176.026 176.300 -0.200 0.000 0.978 48 R CA 0.904 56.842 56.100 -0.271 0.000 0.661 48 R CB -2.544 27.448 30.300 -0.513 0.000 1.170 48 R HN 0.992 nan 8.270 nan 0.000 0.430 49 T N -1.501 112.972 114.554 -0.135 0.000 3.192 49 T HA 0.315 4.664 4.350 -0.000 0.000 0.295 49 T C 0.893 175.526 174.700 -0.111 0.000 0.947 49 T CA 0.972 63.004 62.100 -0.113 0.000 0.916 49 T CB 0.447 69.257 68.868 -0.096 0.000 1.169 49 T HN 0.831 nan 8.240 nan 0.000 0.540 50 G N 2.269 111.004 108.800 -0.108 0.000 2.149 50 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 50 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 50 G C 0.818 175.678 174.900 -0.067 0.000 1.018 50 G CA 0.678 45.731 45.100 -0.079 0.000 0.728 50 G HN 0.506 nan 8.290 nan 0.000 0.508 51 K N 0.184 120.518 120.400 -0.110 0.000 2.001 51 K HA -0.013 4.307 4.320 -0.000 0.000 0.208 51 K C 2.677 179.195 176.600 -0.136 0.000 1.048 51 K CA 1.586 57.776 56.287 -0.161 0.000 0.932 51 K CB -0.290 32.091 32.500 -0.198 0.000 0.715 51 K HN 0.337 nan 8.250 nan 0.000 0.437 52 S N 0.742 116.380 115.700 -0.104 0.000 2.383 52 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 52 S C 1.777 176.400 174.600 0.038 0.000 1.030 52 S CA 1.217 59.362 58.200 -0.092 0.000 1.002 52 S CB -0.452 62.720 63.200 -0.046 0.000 0.829 52 S HN 0.310 nan 8.310 nan 0.000 0.467 53 Y N 2.190 122.457 120.300 -0.057 0.000 2.097 53 Y HA -0.148 4.402 4.550 -0.000 0.000 0.282 53 Y C 2.168 178.062 175.900 -0.010 0.000 1.152 53 Y CA 1.346 59.435 58.100 -0.018 0.000 1.136 53 Y CB -0.694 37.738 38.460 -0.047 0.000 0.975 53 Y HN 0.193 nan 8.280 nan 0.000 0.498 54 L N -0.335 120.831 121.223 -0.094 0.000 2.127 54 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 54 L C 2.201 178.986 176.870 -0.141 0.000 1.089 54 L CA 1.828 56.528 54.840 -0.235 0.000 0.757 54 L CB -0.871 40.993 42.059 -0.325 0.000 0.899 54 L HN 0.349 nan 8.230 nan 0.000 0.434 55 M N -0.199 119.358 119.600 -0.072 0.000 2.117 55 M HA -0.174 4.306 4.480 -0.000 0.000 0.262 55 M C 1.940 178.359 176.300 0.198 0.000 1.065 55 M CA 1.410 56.733 55.300 0.037 0.000 1.114 55 M CB -0.868 31.664 32.600 -0.113 0.000 1.361 55 M HN 0.316 nan 8.290 nan 0.000 0.408 56 N N -0.026 118.798 118.700 0.206 0.000 2.272 56 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 56 N C 1.430 176.976 175.510 0.060 0.000 1.014 56 N CA 0.922 54.108 53.050 0.227 0.000 0.870 56 N CB -0.303 38.273 38.487 0.148 0.000 0.975 56 N HN 0.347 nan 8.380 nan 0.000 0.433 57 K N 0.764 121.127 120.400 -0.062 0.000 2.211 57 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 57 K C 1.997 178.598 176.600 0.003 0.000 1.050 57 K CA 0.313 56.554 56.287 -0.078 0.000 0.945 57 K CB -0.215 32.189 32.500 -0.160 0.000 0.732 57 K HN 0.276 nan 8.250 nan 0.000 0.451 58 L N 0.294 121.534 121.223 0.028 0.000 2.291 58 L HA -0.040 4.300 4.340 -0.000 0.000 0.214 58 L C 2.136 179.083 176.870 0.128 0.000 1.120 58 L CA 0.648 55.511 54.840 0.039 0.000 0.799 58 L CB -0.267 41.786 42.059 -0.010 0.000 0.925 58 L HN 0.032 nan 8.230 nan 0.000 0.446 59 A N -0.455 122.365 122.820 -0.001 0.000 2.218 59 A HA 0.279 4.599 4.320 -0.000 0.000 0.209 59 A C 1.652 179.166 177.584 -0.117 0.000 1.168 59 A CA 0.572 52.491 52.037 -0.197 0.000 0.804 59 A CB -0.418 18.260 19.000 -0.537 0.000 0.834 59 A HN 0.423 nan 8.150 nan 0.000 0.482 60 G N -0.468 108.333 108.800 0.001 0.000 2.323 60 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.292 60 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.292 60 G C 0.009 174.917 174.900 0.013 0.000 1.040 60 G CA 1.061 46.169 45.100 0.014 0.000 0.942 60 G HN 0.583 nan 8.290 nan 0.000 0.506 61 K N -0.847 119.580 120.400 0.044 0.000 2.400 61 K HA 0.726 5.046 4.320 -0.000 0.000 0.246 61 K C 0.186 176.842 176.600 0.093 0.000 0.995 61 K CA -0.774 55.569 56.287 0.094 0.000 0.840 61 K CB 1.487 34.106 32.500 0.198 0.000 1.293 61 K HN 0.170 nan 8.250 nan 0.000 0.445 62 K N 1.399 121.855 120.400 0.093 0.000 2.118 62 K HA 0.376 4.696 4.320 -0.000 0.000 0.254 62 K C -1.284 175.375 176.600 0.099 0.000 0.961 62 K CA -0.900 55.443 56.287 0.093 0.000 0.876 62 K CB 1.446 33.998 32.500 0.086 0.000 1.077 62 K HN 0.492 nan 8.250 nan 0.000 0.440 63 K N 0.286 120.739 120.400 0.088 0.000 7.314 63 K HA -0.241 4.079 4.320 -0.000 0.000 0.694 63 K C -0.474 176.142 176.600 0.027 0.000 2.568 63 K CA 0.881 57.195 56.287 0.045 0.000 1.889 63 K CB -0.596 31.915 32.500 0.019 0.000 2.060 63 K HN 1.026 nan 8.250 nan 0.000 0.284 64 G N 3.675 112.421 108.800 -0.090 0.000 2.693 64 G HA2 0.138 4.098 3.960 -0.000 0.000 0.119 64 G HA3 0.138 4.098 3.960 -0.000 0.000 0.119 64 G C -0.809 173.818 174.900 -0.455 0.000 1.063 64 G CA -0.371 44.484 45.100 -0.408 0.000 1.405 64 G HN 0.399 nan 8.290 nan 0.000 0.626 65 F N 2.984 122.792 119.950 -0.238 0.000 2.602 65 F HA 0.398 4.925 4.527 -0.000 0.000 0.385 65 F C 1.448 177.133 175.800 -0.192 0.000 1.063 65 F CA 0.555 58.418 58.000 -0.228 0.000 1.233 65 F CB 1.019 39.976 39.000 -0.071 0.000 1.067 65 F HN 0.327 nan 8.300 nan 0.000 0.564 66 S N 4.737 120.390 115.700 -0.078 0.000 2.646 66 S HA 0.518 4.988 4.470 -0.000 0.000 0.276 66 S C 0.431 175.044 174.600 0.021 0.000 1.222 66 S CA -0.902 57.273 58.200 -0.042 0.000 1.014 66 S CB 1.289 64.458 63.200 -0.052 0.000 0.991 66 S HN 0.676 nan 8.310 nan 0.000 0.533 67 L N 1.529 122.678 121.223 -0.122 0.000 2.546 67 L HA 0.427 4.767 4.340 -0.000 0.000 0.182 67 L C 1.311 177.892 176.870 -0.483 0.000 1.167 67 L CA 0.530 55.258 54.840 -0.186 0.000 0.845 67 L CB -1.232 40.757 42.059 -0.118 0.000 1.134 67 L HN 1.100 nan 8.230 nan 0.000 0.500 68 G N 0.623 109.019 108.800 -0.673 0.000 2.981 68 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 68 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 68 G C 0.277 175.006 174.900 -0.284 0.000 1.068 68 G CA 0.121 44.834 45.100 -0.645 0.000 0.806 68 G HN 0.458 nan 8.290 nan 0.000 0.568 69 S N -0.232 115.349 115.700 -0.198 0.000 2.603 69 S HA 0.497 4.967 4.470 -0.000 0.000 0.232 69 S C 1.159 175.692 174.600 -0.112 0.000 1.016 69 S CA 1.038 59.150 58.200 -0.147 0.000 0.976 69 S CB 0.513 63.636 63.200 -0.128 0.000 0.921 69 S HN 1.988 nan 8.310 nan 0.000 0.516 70 T N -0.455 114.043 114.554 -0.094 0.000 2.893 70 T HA 0.532 4.882 4.350 -0.000 0.000 0.281 70 T C 1.370 176.029 174.700 -0.068 0.000 1.027 70 T CA 0.053 62.116 62.100 -0.063 0.000 0.953 70 T CB 0.724 69.574 68.868 -0.030 0.000 1.434 70 T HN 0.434 nan 8.240 nan 0.000 0.597 71 V N -2.359 117.528 119.914 -0.045 0.000 3.506 71 V HA 0.272 4.392 4.120 -0.000 0.000 0.263 71 V C 0.923 177.015 176.094 -0.003 0.000 1.203 71 V CA 0.091 62.357 62.300 -0.056 0.000 1.133 71 V CB -1.291 30.512 31.823 -0.033 0.000 0.802 71 V HN 0.753 nan 8.190 nan 0.000 0.459 72 Q N 2.127 121.951 119.800 0.040 0.000 2.354 72 Q HA 0.401 4.741 4.340 -0.000 0.000 0.244 72 Q C 0.589 176.675 176.000 0.143 0.000 0.969 72 Q CA 0.309 56.177 55.803 0.108 0.000 0.885 72 Q CB 1.262 30.054 28.738 0.090 0.000 1.241 72 Q HN 0.774 nan 8.270 nan 0.000 0.461 73 S N -0.021 115.815 115.700 0.228 0.000 2.603 73 S HA 0.110 4.580 4.470 -0.000 0.000 0.268 73 S C -0.077 174.642 174.600 0.199 0.000 1.317 73 S CA -0.231 58.122 58.200 0.256 0.000 1.012 73 S CB 1.330 64.694 63.200 0.274 0.000 0.926 73 S HN 0.808 nan 8.310 nan 0.000 0.539 74 H N 0.806 119.906 119.070 0.050 0.000 2.143 74 H HA 0.296 4.852 4.556 -0.000 0.000 0.238 74 H C 0.097 175.424 175.328 -0.002 0.000 0.914 74 H CA 0.862 56.914 56.048 0.006 0.000 1.154 74 H CB -0.090 29.654 29.762 -0.031 0.000 1.359 74 H HN 0.661 nan 8.280 nan 0.000 0.493 75 T N 4.072 118.626 114.554 -0.001 0.000 2.784 75 T HA 0.191 4.541 4.350 -0.000 0.000 0.291 75 T C -0.417 174.314 174.700 0.051 0.000 0.942 75 T CA -0.219 61.849 62.100 -0.054 0.000 1.161 75 T CB 0.358 69.204 68.868 -0.038 0.000 0.885 75 T HN 0.120 nan 8.240 nan 0.000 0.534 76 K N 2.397 122.879 120.400 0.137 0.000 2.156 76 K HA 0.690 5.010 4.320 -0.000 0.000 0.254 76 K C 1.019 177.778 176.600 0.264 0.000 0.950 76 K CA -0.387 56.000 56.287 0.168 0.000 0.849 76 K CB 1.591 34.162 32.500 0.118 0.000 1.100 76 K HN 0.801 nan 8.250 nan 0.000 0.434 77 G N 1.807 110.701 108.800 0.157 0.000 2.547 77 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.271 77 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.271 77 G C -0.500 174.495 174.900 0.158 0.000 1.209 77 G CA -0.234 44.936 45.100 0.117 0.000 0.959 77 G HN 0.532 nan 8.290 nan 0.000 0.563 78 I N -0.728 119.900 120.570 0.097 0.000 2.478 78 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 78 I C -0.922 175.256 176.117 0.103 0.000 1.042 78 I CA -0.462 60.928 61.300 0.151 0.000 1.067 78 I CB 1.826 39.897 38.000 0.118 0.000 1.233 78 I HN 0.467 nan 8.210 nan 0.000 0.431 79 W N 7.250 128.627 121.300 0.127 0.000 2.496 79 W HA 0.634 5.294 4.660 -0.000 0.000 0.327 79 W C 0.174 176.901 176.519 0.347 0.000 1.086 79 W CA -0.604 56.884 57.345 0.239 0.000 1.222 79 W CB 1.362 31.040 29.460 0.362 0.000 1.304 79 W HN 0.298 nan 8.180 nan 0.000 0.547 80 M N 2.479 122.355 119.600 0.461 0.000 2.664 80 M HA 0.735 5.215 4.480 -0.000 0.000 0.314 80 M C -1.753 174.846 176.300 0.499 0.000 1.200 80 M CA -0.536 55.029 55.300 0.441 0.000 0.916 80 M CB 2.966 35.720 32.600 0.258 0.000 1.717 80 M HN 0.530 nan 8.290 nan 0.000 0.470 81 W N 3.122 124.551 121.300 0.216 0.000 3.268 81 W HA 0.560 5.220 4.660 -0.000 0.000 0.330 81 W C -2.377 174.188 176.519 0.077 0.000 1.074 81 W CA -1.163 56.225 57.345 0.072 0.000 1.263 81 W CB 1.293 30.667 29.460 -0.143 0.000 1.250 81 W HN 0.930 nan 8.180 nan 0.000 0.425 82 C N 5.368 124.829 119.300 0.268 0.000 2.358 82 C HA 0.900 5.359 4.460 -0.000 0.000 0.342 82 C C 0.499 175.432 174.990 -0.096 0.000 1.234 82 C CA -0.401 58.657 59.018 0.067 0.000 1.969 82 C CB 0.383 28.184 27.740 0.101 0.000 2.346 82 C HN 0.548 nan 8.230 nan 0.000 0.525 83 V N -0.188 119.642 119.914 -0.140 0.000 3.177 83 V HA 0.534 4.654 4.120 -0.000 0.000 0.287 83 V C -3.293 172.722 176.094 -0.132 0.000 1.465 83 V CA -1.996 60.186 62.300 -0.196 0.000 1.020 83 V CB 1.077 32.661 31.823 -0.397 0.000 1.152 83 V HN 0.558 nan 8.190 nan 0.000 0.448 84 P HA 0.096 nan 4.420 nan 0.000 0.266 84 P C -0.711 176.535 177.300 -0.089 0.000 1.186 84 P CA 0.514 63.572 63.100 -0.070 0.000 0.767 84 P CB 0.036 31.689 31.700 -0.078 0.000 0.820 85 H N 5.553 124.545 119.070 -0.130 0.000 2.646 85 H HA 0.115 4.671 4.556 -0.000 0.000 0.325 85 H C -1.381 173.789 175.328 -0.265 0.000 1.075 85 H CA -1.729 54.208 56.048 -0.184 0.000 1.421 85 H CB 0.908 30.607 29.762 -0.105 0.000 1.461 85 H HN 0.303 nan 8.280 nan 0.000 0.525 86 P HA 0.031 nan 4.420 nan 0.000 0.231 86 P C 0.679 177.883 177.300 -0.160 0.000 1.168 86 P CA 0.771 63.680 63.100 -0.319 0.000 0.779 86 P CB 0.886 32.154 31.700 -0.721 0.000 0.844 87 K N -0.649 119.758 120.400 0.011 0.000 2.436 87 K HA 0.174 4.493 4.320 -0.000 0.000 0.198 87 K C 0.684 177.183 176.600 -0.170 0.000 1.174 87 K CA 0.150 56.400 56.287 -0.062 0.000 0.951 87 K CB 0.808 33.312 32.500 0.007 0.000 1.040 87 K HN -0.002 nan 8.250 nan 0.000 0.536 88 K N 2.874 123.055 120.400 -0.365 0.000 2.419 88 K HA 0.235 4.555 4.320 -0.000 0.000 0.244 88 K C -2.696 173.821 176.600 -0.138 0.000 1.045 88 K CA -2.004 54.020 56.287 -0.437 0.000 1.004 88 K CB 1.591 33.466 32.500 -1.042 0.000 1.376 88 K HN -0.056 nan 8.250 nan 0.000 0.460 89 P HA -0.045 nan 4.420 nan 0.000 0.265 89 P C 0.625 177.967 177.300 0.070 0.000 1.193 89 P CA 0.768 63.875 63.100 0.011 0.000 0.765 89 P CB 0.844 32.539 31.700 -0.009 0.000 0.823 90 G N 1.362 110.176 108.800 0.023 0.000 2.179 90 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 90 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 90 G C -0.057 174.777 174.900 -0.110 0.000 0.977 90 G CA 0.112 45.183 45.100 -0.047 0.000 0.641 90 G HN 0.703 nan 8.290 nan 0.000 0.533 91 H N -0.683 118.354 119.070 -0.054 0.000 2.567 91 H HA 0.712 5.268 4.556 -0.000 0.000 0.345 91 H C 0.194 175.535 175.328 0.021 0.000 1.169 91 H CA -0.748 55.286 56.048 -0.023 0.000 1.227 91 H CB 1.209 30.936 29.762 -0.058 0.000 1.607 91 H HN 0.079 nan 8.280 nan 0.000 0.534 92 I N 2.438 123.110 120.570 0.170 0.000 2.377 92 I HA 0.076 4.246 4.170 -0.000 0.000 0.293 92 I C -0.516 175.681 176.117 0.133 0.000 0.987 92 I CA -0.794 60.567 61.300 0.101 0.000 1.185 92 I CB 1.250 39.272 38.000 0.037 0.000 1.341 92 I HN 0.330 nan 8.210 nan 0.000 0.455 93 L N 8.518 129.773 121.223 0.054 0.000 2.319 93 L HA 0.353 4.692 4.340 -0.000 0.000 0.280 93 L C -0.395 176.481 176.870 0.010 0.000 1.099 93 L CA 0.099 54.934 54.840 -0.008 0.000 0.828 93 L CB 0.962 42.903 42.059 -0.196 0.000 1.150 93 L HN 0.277 nan 8.230 nan 0.000 0.442 94 V N 6.838 126.794 119.914 0.070 0.000 2.417 94 V HA 0.422 4.541 4.120 -0.000 0.000 0.291 94 V C 0.063 176.248 176.094 0.151 0.000 1.024 94 V CA -0.664 61.705 62.300 0.115 0.000 0.861 94 V CB 1.433 33.337 31.823 0.136 0.000 0.985 94 V HN 0.576 nan 8.190 nan 0.000 0.436 95 L N 5.920 127.280 121.223 0.228 0.000 2.295 95 L HA 0.607 4.947 4.340 -0.000 0.000 0.285 95 L C -0.645 176.451 176.870 0.377 0.000 1.035 95 L CA -0.490 54.535 54.840 0.308 0.000 0.806 95 L CB 1.506 43.842 42.059 0.461 0.000 1.214 95 L HN 0.405 nan 8.230 nan 0.000 0.426 96 L N 2.983 124.337 121.223 0.218 0.000 2.353 96 L HA 0.358 4.698 4.340 -0.000 0.000 0.270 96 L C -0.854 176.014 176.870 -0.004 0.000 1.003 96 L CA -0.448 54.497 54.840 0.175 0.000 0.862 96 L CB 1.730 43.886 42.059 0.162 0.000 1.221 96 L HN 0.537 nan 8.230 nan 0.000 0.430 97 D N 2.450 122.779 120.400 -0.119 0.000 2.249 97 D HA 0.338 4.978 4.640 -0.000 0.000 0.246 97 D C -0.059 176.209 176.300 -0.053 0.000 1.114 97 D CA 0.061 53.863 54.000 -0.329 0.000 0.854 97 D CB 1.466 41.703 40.800 -0.938 0.000 1.132 97 D HN 0.489 nan 8.370 nan 0.000 0.461 98 T N 0.532 115.036 114.554 -0.083 0.000 2.925 98 T HA 0.389 4.739 4.350 -0.000 0.000 0.285 98 T C 0.309 175.009 174.700 -0.001 0.000 1.021 98 T CA -1.007 61.090 62.100 -0.005 0.000 1.042 98 T CB 1.195 70.034 68.868 -0.048 0.000 1.037 98 T HN 0.377 nan 8.240 nan 0.000 0.481 99 E N 0.961 121.193 120.200 0.055 0.000 2.585 99 E HA 0.240 4.589 4.350 -0.000 0.000 0.252 99 E C 0.878 177.476 176.600 -0.003 0.000 0.981 99 E CA -0.210 56.215 56.400 0.042 0.000 0.943 99 E CB -0.078 29.658 29.700 0.060 0.000 0.923 99 E HN 0.859 nan 8.360 nan 0.000 0.486 100 G N 4.164 112.972 108.800 0.014 0.000 2.491 100 G HA2 0.170 4.130 3.960 -0.000 0.000 0.238 100 G HA3 0.170 4.130 3.960 -0.000 0.000 0.238 100 G C -0.066 174.827 174.900 -0.011 0.000 1.277 100 G CA -0.569 44.542 45.100 0.018 0.000 0.851 100 G HN 0.502 nan 8.290 nan 0.000 0.573 101 L N 1.159 122.366 121.223 -0.026 0.000 2.452 101 L HA 0.443 4.783 4.340 -0.000 0.000 0.267 101 L C 1.623 178.436 176.870 -0.096 0.000 1.188 101 L CA 0.825 55.645 54.840 -0.034 0.000 0.821 101 L CB 0.868 42.942 42.059 0.025 0.000 1.102 101 L HN 0.946 nan 8.230 nan 0.000 0.470 102 G N 0.284 108.981 108.800 -0.172 0.000 2.176 102 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.253 102 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.253 102 G C 0.202 174.788 174.900 -0.525 0.000 0.979 102 G CA 0.026 45.010 45.100 -0.192 0.000 0.641 102 G HN 0.740 nan 8.290 nan 0.000 0.530 103 D N 0.658 120.482 120.400 -0.960 0.000 2.772 103 D HA 0.129 4.769 4.640 -0.000 0.000 0.227 103 D C 2.011 178.084 176.300 -0.378 0.000 1.114 103 D CA 0.946 54.358 54.000 -0.981 0.000 0.832 103 D CB 1.023 41.499 40.800 -0.539 0.000 1.154 103 D HN 0.858 nan 8.370 nan 0.000 0.514 104 V N 1.685 121.485 119.914 -0.191 0.000 2.788 104 V HA -0.053 4.067 4.120 -0.000 0.000 0.251 104 V C 2.052 178.125 176.094 -0.035 0.000 1.068 104 V CA 1.181 63.450 62.300 -0.052 0.000 1.090 104 V CB -0.493 31.347 31.823 0.029 0.000 0.710 104 V HN 0.540 nan 8.190 nan 0.000 0.467 105 E N 0.818 121.002 120.200 -0.027 0.000 2.085 105 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 105 E C 2.237 178.820 176.600 -0.028 0.000 0.994 105 E CA 1.924 58.317 56.400 -0.011 0.000 0.801 105 E CB -0.026 29.680 29.700 0.010 0.000 0.743 105 E HN 0.705 nan 8.360 nan 0.000 0.453 106 K N -0.667 119.697 120.400 -0.059 0.000 2.067 106 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 106 K C 0.593 177.165 176.600 -0.047 0.000 1.048 106 K CA 0.852 57.109 56.287 -0.050 0.000 0.954 106 K CB 0.061 32.520 32.500 -0.069 0.000 0.737 106 K HN 0.224 nan 8.250 nan 0.000 0.444 107 G N 2.478 111.238 108.800 -0.066 0.000 2.352 107 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.283 107 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.283 107 G C -0.724 174.147 174.900 -0.049 0.000 0.946 107 G CA 0.912 45.980 45.100 -0.054 0.000 1.317 107 G HN 0.496 nan 8.290 nan 0.000 0.478 108 D N 0.385 120.748 120.400 -0.061 0.000 2.634 108 D HA 0.136 4.776 4.640 -0.000 0.000 0.236 108 D C 1.168 177.420 176.300 -0.080 0.000 1.323 108 D CA -0.552 53.415 54.000 -0.056 0.000 0.884 108 D CB -0.228 40.554 40.800 -0.030 0.000 1.496 108 D HN 0.085 nan 8.370 nan 0.000 0.525 109 N N 1.566 120.203 118.700 -0.105 0.000 2.142 109 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 109 N C 1.811 177.198 175.510 -0.206 0.000 1.023 109 N CA 1.308 54.274 53.050 -0.139 0.000 0.852 109 N CB -0.120 38.269 38.487 -0.164 0.000 0.998 109 N HN 0.641 nan 8.380 nan 0.000 0.424 110 Q N 0.784 120.432 119.800 -0.254 0.000 2.170 110 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 110 Q C 1.600 177.256 176.000 -0.574 0.000 0.976 110 Q CA 1.676 57.195 55.803 -0.473 0.000 0.858 110 Q CB -0.378 28.128 28.738 -0.386 0.000 0.907 110 Q HN 0.244 nan 8.270 nan 0.000 0.433 111 N N 0.789 119.373 118.700 -0.193 0.000 2.142 111 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 111 N C 1.022 176.557 175.510 0.042 0.000 1.023 111 N CA 1.633 54.693 53.050 0.017 0.000 0.852 111 N CB -0.176 38.355 38.487 0.073 0.000 0.998 111 N HN 0.271 nan 8.380 nan 0.000 0.424 112 D N -0.652 119.738 120.400 -0.016 0.000 2.106 112 D HA -0.109 4.531 4.640 -0.000 0.000 0.191 112 D C 1.955 178.324 176.300 0.115 0.000 0.997 112 D CA 1.116 55.143 54.000 0.046 0.000 0.834 112 D CB -0.538 40.273 40.800 0.017 0.000 0.956 112 D HN 0.172 nan 8.370 nan 0.000 0.448 113 S N -0.486 115.204 115.700 -0.016 0.000 2.368 113 S HA -0.150 4.319 4.470 -0.000 0.000 0.225 113 S C 1.888 176.588 174.600 0.167 0.000 1.030 113 S CA 0.810 59.018 58.200 0.014 0.000 0.999 113 S CB -0.491 62.596 63.200 -0.188 0.000 0.844 113 S HN 0.454 nan 8.310 nan 0.000 0.459 114 W N 1.213 122.585 121.300 0.119 0.000 2.325 114 W HA -0.105 4.555 4.660 -0.000 0.000 0.299 114 W C 2.019 178.614 176.519 0.127 0.000 1.215 114 W CA 0.135 57.538 57.345 0.096 0.000 1.244 114 W CB -0.317 29.186 29.460 0.073 0.000 1.140 114 W HN 0.281 nan 8.180 nan 0.000 0.523 115 I N -1.448 119.348 120.570 0.377 0.000 2.339 115 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 115 I C 2.270 178.577 176.117 0.315 0.000 1.096 115 I CA 0.824 62.294 61.300 0.283 0.000 1.408 115 I CB -0.627 37.493 38.000 0.201 0.000 1.092 115 I HN -0.085 nan 8.210 nan 0.000 0.423 116 F N 1.503 121.555 119.950 0.169 0.000 2.063 116 F HA -0.448 4.079 4.527 -0.000 0.000 0.297 116 F C 2.514 178.423 175.800 0.181 0.000 1.099 116 F CA 1.787 59.905 58.000 0.196 0.000 1.220 116 F CB -0.036 39.059 39.000 0.157 0.000 0.972 116 F HN 0.106 nan 8.300 nan 0.000 0.487 117 A N -0.193 122.874 122.820 0.412 0.000 1.929 117 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 117 A C 2.069 179.756 177.584 0.172 0.000 1.176 117 A CA 1.305 53.470 52.037 0.213 0.000 0.628 117 A CB -0.884 18.228 19.000 0.188 0.000 0.816 117 A HN 0.469 nan 8.150 nan 0.000 0.444 118 L N -0.720 120.631 121.223 0.213 0.000 2.056 118 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 118 L C 3.115 180.127 176.870 0.237 0.000 1.078 118 L CA 0.981 55.930 54.840 0.182 0.000 0.749 118 L CB -0.597 41.577 42.059 0.191 0.000 0.901 118 L HN 0.419 nan 8.230 nan 0.000 0.433 119 A N -0.055 122.946 122.820 0.302 0.000 1.873 119 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 119 A C 2.339 180.202 177.584 0.464 0.000 1.193 119 A CA 2.207 54.472 52.037 0.380 0.000 0.629 119 A CB -1.049 18.210 19.000 0.433 0.000 0.826 119 A HN 0.192 nan 8.150 nan 0.000 0.447 120 V N -0.104 120.039 119.914 0.382 0.000 2.392 120 V HA -0.262 3.857 4.120 -0.000 0.000 0.249 120 V C 2.522 178.755 176.094 0.232 0.000 1.059 120 V CA 2.013 64.411 62.300 0.164 0.000 1.051 120 V CB -0.673 31.073 31.823 -0.128 0.000 0.658 120 V HN 0.557 nan 8.190 nan 0.000 0.455 121 L N -1.095 120.230 121.223 0.170 0.000 2.179 121 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 121 L C 2.027 179.063 176.870 0.277 0.000 1.096 121 L CA 1.135 56.047 54.840 0.119 0.000 0.779 121 L CB -0.179 41.756 42.059 -0.207 0.000 0.922 121 L HN 0.303 nan 8.230 nan 0.000 0.443 122 L N -1.041 120.357 121.223 0.293 0.000 2.592 122 L HA 0.092 4.432 4.340 -0.000 0.000 0.227 122 L C 1.034 178.064 176.870 0.267 0.000 1.127 122 L CA -0.247 54.772 54.840 0.298 0.000 0.884 122 L CB -0.084 42.136 42.059 0.268 0.000 1.065 122 L HN 0.202 nan 8.230 nan 0.000 0.457 123 S N -1.716 114.159 115.700 0.293 0.000 2.651 123 S HA 0.372 4.842 4.470 -0.000 0.000 0.291 123 S C 0.811 175.574 174.600 0.272 0.000 1.141 123 S CA -0.127 58.252 58.200 0.297 0.000 1.027 123 S CB 1.842 65.280 63.200 0.397 0.000 1.043 123 S HN 0.155 nan 8.310 nan 0.000 0.530 124 S N -0.316 115.531 115.700 0.245 0.000 2.526 124 S HA 0.273 4.743 4.470 -0.000 0.000 0.220 124 S C 0.149 174.904 174.600 0.258 0.000 1.017 124 S CA -0.239 58.096 58.200 0.227 0.000 0.930 124 S CB -0.057 63.249 63.200 0.177 0.000 0.856 124 S HN 0.727 nan 8.310 nan 0.000 0.497 125 T N 2.448 117.162 114.554 0.267 0.000 2.949 125 T HA 0.491 4.841 4.350 -0.000 0.000 0.300 125 T C -1.773 173.113 174.700 0.310 0.000 0.988 125 T CA -0.344 61.926 62.100 0.283 0.000 0.993 125 T CB 1.079 70.059 68.868 0.186 0.000 0.984 125 T HN 0.289 nan 8.240 nan 0.000 0.442 126 F N 4.480 124.564 119.950 0.223 0.000 2.404 126 F HA 0.642 5.169 4.527 -0.000 0.000 0.354 126 F C -0.624 175.187 175.800 0.017 0.000 1.122 126 F CA -0.782 57.334 58.000 0.192 0.000 1.080 126 F CB 0.797 40.022 39.000 0.374 0.000 1.131 126 F HN 0.265 nan 8.300 nan 0.000 0.471 127 V N 7.790 127.324 119.914 -0.634 0.000 2.357 127 V HA 0.197 4.317 4.120 -0.000 0.000 0.284 127 V C -1.062 174.555 176.094 -0.794 0.000 1.018 127 V CA -0.887 61.090 62.300 -0.539 0.000 0.841 127 V CB 0.925 32.593 31.823 -0.258 0.000 0.991 127 V HN 0.675 nan 8.190 nan 0.000 0.437 128 Y N 4.820 124.654 120.300 -0.776 0.000 2.353 128 Y HA 0.542 5.092 4.550 -0.000 0.000 0.340 128 Y C 0.113 175.595 175.900 -0.696 0.000 0.972 128 Y CA -0.296 57.361 58.100 -0.737 0.000 1.157 128 Y CB 1.205 39.291 38.460 -0.624 0.000 1.157 128 Y HN 0.738 nan 8.280 nan 0.000 0.495 129 N N 3.562 121.684 118.700 -0.964 0.000 2.408 129 N HA 0.534 5.274 4.740 -0.000 0.000 0.280 129 N C -1.573 173.760 175.510 -0.296 0.000 1.002 129 N CA -0.228 52.541 53.050 -0.467 0.000 0.907 129 N CB 1.116 39.356 38.487 -0.411 0.000 1.161 129 N HN 0.604 nan 8.380 nan 0.000 0.488 130 S N 2.621 118.368 115.700 0.079 0.000 2.579 130 S HA 0.538 5.008 4.470 -0.000 0.000 0.272 130 S C -0.918 173.840 174.600 0.264 0.000 1.141 130 S CA -0.934 57.418 58.200 0.253 0.000 0.843 130 S CB 0.605 64.173 63.200 0.614 0.000 1.122 130 S HN 0.406 nan 8.310 nan 0.000 0.468 131 I N 2.628 123.326 120.570 0.214 0.000 2.325 131 I HA 0.518 4.688 4.170 -0.000 0.000 0.291 131 I C 1.440 177.696 176.117 0.231 0.000 1.019 131 I CA 0.721 62.131 61.300 0.184 0.000 1.302 131 I CB 0.612 38.675 38.000 0.105 0.000 1.401 131 I HN 1.234 nan 8.210 nan 0.000 0.485 132 G N 5.185 114.154 108.800 0.282 0.000 3.329 132 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 132 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 132 G C 0.325 175.447 174.900 0.370 0.000 1.358 132 G CA 0.334 45.593 45.100 0.266 0.000 0.856 132 G HN 0.773 nan 8.290 nan 0.000 0.551 133 T N -1.177 113.564 114.554 0.311 0.000 2.896 133 T HA 0.733 5.083 4.350 -0.000 0.000 0.297 133 T C -0.108 174.715 174.700 0.205 0.000 1.108 133 T CA -0.489 61.799 62.100 0.314 0.000 1.004 133 T CB 2.336 71.345 68.868 0.235 0.000 1.159 133 T HN 0.747 nan 8.240 nan 0.000 0.499 134 I N 2.586 123.159 120.570 0.005 0.000 2.575 134 I HA 0.458 4.628 4.170 -0.000 0.000 0.285 134 I C 0.217 176.291 176.117 -0.073 0.000 1.085 134 I CA -0.047 61.060 61.300 -0.321 0.000 1.403 134 I CB 0.654 38.114 38.000 -0.901 0.000 1.409 134 I HN 0.833 nan 8.210 nan 0.000 0.557 135 N N 3.925 122.620 118.700 -0.009 0.000 2.537 135 N HA 0.107 4.846 4.740 -0.000 0.000 0.281 135 N C -0.044 175.507 175.510 0.068 0.000 1.097 135 N CA -0.582 52.513 53.050 0.074 0.000 0.964 135 N CB 1.379 39.960 38.487 0.157 0.000 1.588 135 N HN 0.444 nan 8.380 nan 0.000 0.511 136 Q N 1.824 121.636 119.800 0.020 0.000 2.112 136 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 136 Q C 0.992 177.001 176.000 0.016 0.000 0.987 136 Q CA 2.152 57.945 55.803 -0.017 0.000 0.858 136 Q CB 0.035 28.753 28.738 -0.033 0.000 0.905 136 Q HN 0.796 nan 8.270 nan 0.000 0.420 137 Q N -0.745 119.084 119.800 0.048 0.000 2.170 137 Q HA -0.132 4.208 4.340 -0.000 0.000 0.203 137 Q C 1.998 178.053 176.000 0.092 0.000 0.976 137 Q CA 1.245 57.083 55.803 0.059 0.000 0.858 137 Q CB -0.318 28.461 28.738 0.068 0.000 0.907 137 Q HN 0.474 nan 8.270 nan 0.000 0.433 138 A N 1.504 124.406 122.820 0.136 0.000 1.841 138 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 138 A C 2.145 179.755 177.584 0.043 0.000 1.195 138 A CA 1.243 53.364 52.037 0.141 0.000 0.611 138 A CB -0.570 18.582 19.000 0.255 0.000 0.835 138 A HN 0.261 nan 8.150 nan 0.000 0.443 139 M N -0.688 118.956 119.600 0.073 0.000 2.108 139 M HA -0.197 4.283 4.480 -0.000 0.000 0.261 139 M C 1.588 177.883 176.300 -0.009 0.000 1.066 139 M CA 1.925 57.234 55.300 0.015 0.000 1.107 139 M CB -0.558 32.019 32.600 -0.039 0.000 1.356 139 M HN 0.387 nan 8.290 nan 0.000 0.406 140 D N -0.017 120.383 120.400 -0.000 0.000 2.103 140 D HA -0.258 4.382 4.640 -0.000 0.000 0.190 140 D C 1.791 178.128 176.300 0.062 0.000 0.997 140 D CA 1.555 55.575 54.000 0.035 0.000 0.833 140 D CB -0.419 40.391 40.800 0.015 0.000 0.961 140 D HN 0.453 nan 8.370 nan 0.000 0.447 141 Q N -0.384 119.433 119.800 0.027 0.000 2.084 141 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 141 Q C 2.130 178.039 176.000 -0.152 0.000 0.978 141 Q CA 0.824 56.620 55.803 -0.013 0.000 0.844 141 Q CB -0.220 28.573 28.738 0.092 0.000 0.898 141 Q HN 0.182 nan 8.270 nan 0.000 0.426 142 L N 0.244 121.402 121.223 -0.108 0.000 2.043 142 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 142 L C 2.117 178.846 176.870 -0.234 0.000 1.075 142 L CA 2.044 56.765 54.840 -0.198 0.000 0.752 142 L CB -1.092 40.889 42.059 -0.129 0.000 0.891 142 L HN 0.441 nan 8.230 nan 0.000 0.432 143 Y N -1.078 119.086 120.300 -0.227 0.000 2.114 143 Y HA -0.329 4.221 4.550 -0.000 0.000 0.284 143 Y C 2.586 178.334 175.900 -0.254 0.000 1.143 143 Y CA 2.057 60.018 58.100 -0.231 0.000 1.135 143 Y CB -1.077 37.288 38.460 -0.157 0.000 0.980 143 Y HN 0.371 nan 8.280 nan 0.000 0.499 144 Y N 0.148 120.170 120.300 -0.465 0.000 2.114 144 Y HA -0.289 4.261 4.550 -0.000 0.000 0.282 144 Y C 2.256 177.811 175.900 -0.574 0.000 1.165 144 Y CA 2.541 60.316 58.100 -0.541 0.000 1.148 144 Y CB -0.658 37.609 38.460 -0.321 0.000 0.972 144 Y HN 0.018 nan 8.280 nan 0.000 0.504 145 V N -0.959 118.653 119.914 -0.504 0.000 2.453 145 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 145 V C 2.323 178.010 176.094 -0.679 0.000 1.048 145 V CA 2.158 64.093 62.300 -0.609 0.000 1.049 145 V CB -1.024 30.267 31.823 -0.886 0.000 0.672 145 V HN 0.448 nan 8.190 nan 0.000 0.457 146 T N -0.180 113.912 114.554 -0.770 0.000 2.635 146 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 146 T C 1.799 175.922 174.700 -0.962 0.000 1.040 146 T CA 1.630 63.159 62.100 -0.952 0.000 1.156 146 T CB -0.249 68.059 68.868 -0.933 0.000 0.863 146 T HN 0.486 nan 8.240 nan 0.000 0.430 147 E N 0.548 120.208 120.200 -0.900 0.000 2.418 147 E HA -0.011 4.339 4.350 -0.000 0.000 0.197 147 E C 1.976 178.223 176.600 -0.588 0.000 1.026 147 E CA 0.278 56.206 56.400 -0.786 0.000 0.862 147 E CB -0.130 29.152 29.700 -0.697 0.000 0.799 147 E HN 0.317 nan 8.360 nan 0.000 0.518 148 L N 0.636 121.485 121.223 -0.623 0.000 2.162 148 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 148 L C 2.176 178.914 176.870 -0.220 0.000 1.086 148 L CA 1.561 56.155 54.840 -0.409 0.000 0.778 148 L CB -0.764 41.028 42.059 -0.445 0.000 0.928 148 L HN -0.078 nan 8.230 nan 0.000 0.446 149 T N -0.705 113.683 114.554 -0.276 0.000 2.624 149 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 149 T C 1.781 176.506 174.700 0.042 0.000 1.041 149 T CA 2.033 64.056 62.100 -0.128 0.000 1.159 149 T CB -0.344 68.456 68.868 -0.114 0.000 0.863 149 T HN 0.473 nan 8.240 nan 0.000 0.434 150 H N 1.151 120.210 119.070 -0.019 0.000 2.353 150 H HA -0.002 4.554 4.556 -0.000 0.000 0.298 150 H C 2.522 177.855 175.328 0.008 0.000 1.103 150 H CA 1.258 57.322 56.048 0.027 0.000 1.293 150 H CB -0.300 29.462 29.762 -0.001 0.000 1.372 150 H HN 0.365 nan 8.280 nan 0.000 0.501 151 R N -0.111 120.441 120.500 0.087 0.000 2.092 151 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 151 R C 2.537 178.868 176.300 0.051 0.000 1.119 151 R CA 1.058 57.188 56.100 0.050 0.000 0.970 151 R CB -0.273 30.029 30.300 0.003 0.000 0.864 151 R HN 0.278 nan 8.270 nan 0.000 0.440 152 I N 0.524 121.114 120.570 0.033 0.000 2.252 152 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 152 I C 2.694 178.853 176.117 0.070 0.000 1.102 152 I CA 1.200 62.512 61.300 0.019 0.000 1.385 152 I CB -0.210 37.758 38.000 -0.054 0.000 1.064 152 I HN 0.070 nan 8.210 nan 0.000 0.414 153 R N 0.450 121.003 120.500 0.088 0.000 2.096 153 R HA -0.182 4.157 4.340 -0.000 0.000 0.240 153 R C 2.514 178.900 176.300 0.143 0.000 1.139 153 R CA 2.104 58.309 56.100 0.175 0.000 0.952 153 R CB -0.395 30.024 30.300 0.199 0.000 0.854 153 R HN 0.400 nan 8.270 nan 0.000 0.436 154 S N 1.137 116.899 115.700 0.103 0.000 2.365 154 S HA -0.212 4.258 4.470 -0.000 0.000 0.221 154 S C 1.578 176.216 174.600 0.063 0.000 1.037 154 S CA 1.183 59.426 58.200 0.072 0.000 1.060 154 S CB -0.404 62.830 63.200 0.058 0.000 0.974 154 S HN 0.285 nan 8.310 nan 0.000 0.427 155 K N 1.242 121.677 120.400 0.058 0.000 2.674 155 K HA -0.041 4.279 4.320 -0.000 0.000 0.195 155 K C 0.427 177.059 176.600 0.053 0.000 1.039 155 K CA 0.622 56.937 56.287 0.045 0.000 0.926 155 K CB -0.265 32.256 32.500 0.034 0.000 0.775 155 K HN 0.227 nan 8.250 nan 0.000 0.498 156 S N -0.475 115.267 115.700 0.070 0.000 2.794 156 S HA 0.200 4.670 4.470 -0.000 0.000 0.244 156 S C -1.211 173.413 174.600 0.040 0.000 1.045 156 S CA -0.584 57.652 58.200 0.060 0.000 1.114 156 S CB 0.584 63.842 63.200 0.096 0.000 1.085 156 S HN 0.219 nan 8.310 nan 0.000 0.488 172 V N 1.471 121.369 119.914 -0.026 0.000 3.906 172 V HA -0.106 4.014 4.120 -0.000 0.000 0.429 172 V C -0.664 175.363 176.094 -0.111 0.000 0.673 172 V CA 0.951 63.227 62.300 -0.039 0.000 1.832 172 V CB -1.225 30.605 31.823 0.013 0.000 2.254 172 V HN 0.884 nan 8.190 nan 0.000 0.488 173 S N 5.714 121.355 115.700 -0.098 0.000 2.851 173 S HA 0.940 5.410 4.470 -0.000 0.000 0.317 173 S C -0.084 174.548 174.600 0.053 0.000 1.144 173 S CA 0.015 58.175 58.200 -0.067 0.000 0.862 173 S CB 1.918 65.028 63.200 -0.150 0.000 1.259 173 S HN 1.617 nan 8.310 nan 0.000 0.564 174 F N -1.485 118.268 119.950 -0.328 0.000 2.960 174 F HA 0.571 5.098 4.527 -0.000 0.000 0.345 174 F C -0.561 175.056 175.800 -0.307 0.000 1.147 174 F CA -0.909 56.928 58.000 -0.271 0.000 1.099 174 F CB -0.217 38.617 39.000 -0.278 0.000 1.219 174 F HN 0.306 nan 8.300 nan 0.000 0.525 175 F N 4.676 124.166 119.950 -0.767 0.000 2.563 175 F HA 0.299 4.826 4.527 -0.000 0.000 0.363 175 F C -1.621 174.012 175.800 -0.278 0.000 1.123 175 F CA -1.844 55.666 58.000 -0.816 0.000 1.307 175 F CB 0.074 38.422 39.000 -1.088 0.000 1.115 175 F HN -0.134 nan 8.300 nan 0.000 0.592 176 P HA -0.001 nan 4.420 nan 0.000 0.269 176 P C -0.827 176.798 177.300 0.542 0.000 1.215 176 P CA -0.174 63.153 63.100 0.377 0.000 0.780 176 P CB 0.703 32.731 31.700 0.548 0.000 0.898 177 D N 0.802 121.474 120.400 0.453 0.000 2.354 177 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 177 D C -0.594 176.038 176.300 0.552 0.000 1.138 177 D CA 0.430 54.718 54.000 0.480 0.000 0.958 177 D CB 0.489 41.490 40.800 0.335 0.000 1.144 177 D HN 0.242 nan 8.370 nan 0.000 0.458 178 F N 0.796 120.930 119.950 0.307 0.000 2.518 178 F HA 0.395 4.922 4.527 -0.000 0.000 0.323 178 F C -1.266 174.640 175.800 0.178 0.000 1.129 178 F CA -0.666 57.423 58.000 0.148 0.000 0.920 178 F CB 1.326 40.234 39.000 -0.153 0.000 1.160 178 F HN -0.022 nan 8.300 nan 0.000 0.440 179 V N 5.989 125.506 119.914 -0.662 0.000 2.531 179 V HA 0.228 4.348 4.120 -0.000 0.000 0.301 179 V C -1.141 174.517 176.094 -0.726 0.000 1.034 179 V CA -0.889 61.137 62.300 -0.455 0.000 0.865 179 V CB 1.871 33.711 31.823 0.029 0.000 0.995 179 V HN 0.783 nan 8.190 nan 0.000 0.424 180 W N 4.916 125.874 121.300 -0.570 0.000 2.338 180 W HA 0.546 5.206 4.660 -0.000 0.000 0.307 180 W C 0.130 176.626 176.519 -0.038 0.000 1.167 180 W CA -0.351 56.862 57.345 -0.220 0.000 1.208 180 W CB 1.735 31.168 29.460 -0.046 0.000 1.228 180 W HN 0.687 nan 8.180 nan 0.000 0.499 181 T N 4.349 119.085 114.554 0.303 0.000 2.779 181 T HA 0.666 5.016 4.350 -0.000 0.000 0.280 181 T C -0.550 174.428 174.700 0.463 0.000 0.987 181 T CA -0.762 61.547 62.100 0.349 0.000 0.966 181 T CB 1.544 70.478 68.868 0.110 0.000 0.933 181 T HN 0.312 nan 8.240 nan 0.000 0.442 182 L N 3.718 125.199 121.223 0.431 0.000 2.305 182 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 182 L C 0.304 177.418 176.870 0.407 0.000 1.013 182 L CA -1.123 53.945 54.840 0.380 0.000 0.819 182 L CB 1.338 43.530 42.059 0.222 0.000 1.227 182 L HN 0.478 nan 8.230 nan 0.000 0.417 183 R N 1.706 122.404 120.500 0.330 0.000 2.668 183 R HA 0.303 4.643 4.340 -0.000 0.000 0.279 183 R C -0.502 175.942 176.300 0.240 0.000 0.976 183 R CA -0.929 55.328 56.100 0.261 0.000 0.978 183 R CB 1.029 31.392 30.300 0.105 0.000 1.133 183 R HN 0.567 nan 8.270 nan 0.000 0.484 184 D N 0.714 121.230 120.400 0.193 0.000 2.708 184 D HA -0.239 4.401 4.640 -0.000 0.000 0.236 184 D C -0.559 175.842 176.300 0.168 0.000 1.146 184 D CA 0.817 54.891 54.000 0.122 0.000 0.662 184 D CB -1.394 39.430 40.800 0.039 0.000 1.059 184 D HN 0.370 nan 8.370 nan 0.000 0.428 185 F N 0.589 120.597 119.950 0.096 0.000 2.504 185 F HA 0.221 4.748 4.527 -0.000 0.000 0.369 185 F C 1.422 177.244 175.800 0.037 0.000 1.082 185 F CA 0.298 58.345 58.000 0.079 0.000 1.216 185 F CB 0.788 39.846 39.000 0.096 0.000 1.108 185 F HN -0.128 nan 8.300 nan 0.000 0.554 186 S N 4.723 120.073 115.700 -0.583 0.000 2.566 186 S HA 0.263 4.733 4.470 -0.000 0.000 0.234 186 S C 0.451 174.737 174.600 -0.523 0.000 1.075 186 S CA -0.253 57.713 58.200 -0.391 0.000 0.926 186 S CB -0.032 63.025 63.200 -0.238 0.000 0.811 186 S HN 0.430 nan 8.310 nan 0.000 0.518 187 L N 2.737 123.467 121.223 -0.823 0.000 2.464 187 L HA 0.256 4.596 4.340 -0.000 0.000 0.264 187 L C -0.368 176.304 176.870 -0.331 0.000 1.199 187 L CA -0.618 53.929 54.840 -0.487 0.000 0.818 187 L CB 0.086 41.901 42.059 -0.408 0.000 1.102 187 L HN 0.069 nan 8.230 nan 0.000 0.473 188 D N 1.958 122.263 120.400 -0.158 0.000 2.487 188 D HA 0.100 4.740 4.640 -0.000 0.000 0.243 188 D C -0.012 176.260 176.300 -0.047 0.000 1.154 188 D CA 0.397 54.354 54.000 -0.071 0.000 0.876 188 D CB 0.530 41.289 40.800 -0.069 0.000 1.161 188 D HN 0.270 nan 8.370 nan 0.000 0.478 189 L N 3.048 124.284 121.223 0.022 0.000 2.415 189 L HA 0.148 4.487 4.340 -0.000 0.000 0.269 189 L C 0.722 177.528 176.870 -0.106 0.000 1.244 189 L CA 0.360 55.172 54.840 -0.047 0.000 1.113 189 L CB -0.293 41.754 42.059 -0.021 0.000 1.352 189 L HN 0.334 nan 8.230 nan 0.000 0.433 190 E N 2.284 122.395 120.200 -0.149 0.000 2.352 190 E HA 0.791 5.141 4.350 -0.000 0.000 0.280 190 E C -1.702 174.784 176.600 -0.190 0.000 0.930 190 E CA -0.708 55.608 56.400 -0.139 0.000 0.765 190 E CB 2.446 32.089 29.700 -0.096 0.000 1.219 190 E HN 0.399 nan 8.360 nan 0.000 0.434 191 A N 3.139 125.838 122.820 -0.203 0.000 2.566 191 A HA 0.436 4.756 4.320 -0.000 0.000 0.297 191 A C -0.625 176.849 177.584 -0.185 0.000 1.059 191 A CA -0.323 51.563 52.037 -0.251 0.000 0.691 191 A CB 1.123 19.820 19.000 -0.504 0.000 1.282 191 A HN 0.777 nan 8.150 nan 0.000 0.401 192 D N 0.545 120.868 120.400 -0.129 0.000 2.997 192 D HA -0.253 4.387 4.640 -0.000 0.000 0.226 192 D C 1.196 177.458 176.300 -0.064 0.000 1.189 192 D CA 3.186 57.141 54.000 -0.075 0.000 0.834 192 D CB -1.139 39.622 40.800 -0.066 0.000 1.105 192 D HN 2.211 nan 8.370 nan 0.000 0.415 193 G N -0.708 108.049 108.800 -0.071 0.000 2.259 193 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 193 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 193 G C 0.163 175.028 174.900 -0.058 0.000 1.001 193 G CA 0.198 45.266 45.100 -0.054 0.000 0.627 193 G HN 0.414 nan 8.290 nan 0.000 0.501 194 Q N 1.482 121.238 119.800 -0.073 0.000 2.322 194 Q HA 0.575 4.914 4.340 -0.000 0.000 0.265 194 Q C -2.281 173.670 176.000 -0.082 0.000 0.985 194 Q CA -1.858 53.906 55.803 -0.066 0.000 0.849 194 Q CB 2.286 30.989 28.738 -0.057 0.000 1.274 194 Q HN 0.157 nan 8.270 nan 0.000 0.449 195 P HA -0.114 nan 4.420 nan 0.000 0.271 195 P C -1.031 176.221 177.300 -0.080 0.000 1.197 195 P CA 0.628 63.688 63.100 -0.067 0.000 0.777 195 P CB 0.483 32.156 31.700 -0.045 0.000 0.827 196 L N 0.596 121.768 121.223 -0.085 0.000 2.408 196 L HA 0.402 4.742 4.340 -0.000 0.000 0.268 196 L C 0.648 177.479 176.870 -0.066 0.000 0.986 196 L CA -0.729 54.061 54.840 -0.083 0.000 0.820 196 L CB 2.289 44.270 42.059 -0.129 0.000 1.303 196 L HN 0.362 nan 8.230 nan 0.000 0.411 197 T N -1.432 113.091 114.554 -0.051 0.000 2.899 197 T HA 0.339 4.689 4.350 -0.000 0.000 0.284 197 T C -2.056 172.604 174.700 -0.066 0.000 1.004 197 T CA -1.854 60.207 62.100 -0.065 0.000 1.043 197 T CB 1.538 70.368 68.868 -0.062 0.000 1.013 197 T HN 0.285 nan 8.240 nan 0.000 0.518 198 P HA -0.100 nan 4.420 nan 0.000 0.217 198 P C 0.943 178.186 177.300 -0.095 0.000 1.148 198 P CA 1.045 64.064 63.100 -0.135 0.000 0.828 198 P CB 0.048 31.579 31.700 -0.281 0.000 0.783 199 D N -0.657 119.667 120.400 -0.127 0.000 2.123 199 D HA -0.113 4.527 4.640 -0.000 0.000 0.200 199 D C 1.809 178.108 176.300 -0.002 0.000 0.976 199 D CA 0.969 54.916 54.000 -0.088 0.000 0.831 199 D CB -0.471 40.269 40.800 -0.100 0.000 0.974 199 D HN 0.333 nan 8.370 nan 0.000 0.469 200 E N -0.341 119.871 120.200 0.019 0.000 2.265 200 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 200 E C 1.772 178.470 176.600 0.163 0.000 0.996 200 E CA 0.445 56.882 56.400 0.062 0.000 0.832 200 E CB -0.083 29.631 29.700 0.023 0.000 0.756 200 E HN 0.320 nan 8.360 nan 0.000 0.491 201 Y N 1.450 121.738 120.300 -0.021 0.000 2.184 201 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 201 Y C 2.082 178.003 175.900 0.035 0.000 1.129 201 Y CA 0.815 58.933 58.100 0.030 0.000 1.144 201 Y CB -0.500 37.930 38.460 -0.051 0.000 0.995 201 Y HN 0.025 nan 8.280 nan 0.000 0.513 202 L N 0.369 121.524 121.223 -0.112 0.000 2.083 202 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 202 L C 2.491 179.307 176.870 -0.090 0.000 1.083 202 L CA 2.771 57.463 54.840 -0.247 0.000 0.752 202 L CB -1.335 40.650 42.059 -0.125 0.000 0.899 202 L HN 0.496 nan 8.230 nan 0.000 0.433 203 T N -3.822 110.746 114.554 0.023 0.000 3.043 203 T HA -0.192 4.157 4.350 -0.000 0.000 0.263 203 T C 1.923 176.684 174.700 0.101 0.000 1.094 203 T CA 0.837 62.969 62.100 0.054 0.000 1.127 203 T CB -0.814 68.096 68.868 0.070 0.000 0.905 203 T HN 0.434 nan 8.240 nan 0.000 0.490 204 Y N 3.111 123.424 120.300 0.021 0.000 2.207 204 Y HA -0.101 4.448 4.550 -0.000 0.000 0.287 204 Y C 2.651 178.570 175.900 0.033 0.000 1.156 204 Y CA 1.488 59.621 58.100 0.056 0.000 1.182 204 Y CB -0.696 37.842 38.460 0.131 0.000 0.979 204 Y HN 0.411 nan 8.280 nan 0.000 0.521 205 S N -0.709 114.862 115.700 -0.215 0.000 2.470 205 S HA -0.026 4.444 4.470 -0.000 0.000 0.225 205 S C 1.464 175.913 174.600 -0.251 0.000 1.006 205 S CA 0.936 58.909 58.200 -0.378 0.000 0.934 205 S CB -0.650 62.291 63.200 -0.430 0.000 0.778 205 S HN 0.456 nan 8.310 nan 0.000 0.517 206 L N 0.923 122.057 121.223 -0.148 0.000 2.628 206 L HA 0.355 4.695 4.340 -0.000 0.000 0.229 206 L C 0.955 177.810 176.870 -0.025 0.000 1.137 206 L CA -0.207 54.572 54.840 -0.101 0.000 0.909 206 L CB -0.042 41.980 42.059 -0.062 0.000 1.137 206 L HN 0.170 nan 8.230 nan 0.000 0.470 207 K N 2.150 122.553 120.400 0.004 0.000 2.436 207 K HA 0.150 4.470 4.320 -0.000 0.000 0.282 207 K C -0.263 176.420 176.600 0.137 0.000 1.044 207 K CA -0.211 56.117 56.287 0.068 0.000 1.028 207 K CB 0.500 33.051 32.500 0.086 0.000 0.919 207 K HN 0.122 nan 8.250 nan 0.000 0.474 208 L N 3.738 125.028 121.223 0.111 0.000 2.439 208 L HA 0.157 4.497 4.340 -0.000 0.000 0.269 208 L C 0.594 177.519 176.870 0.093 0.000 1.179 208 L CA -0.055 54.870 54.840 0.141 0.000 0.828 208 L CB 0.304 42.411 42.059 0.080 0.000 1.106 208 L HN 0.513 nan 8.230 nan 0.000 0.467 209 K N 0.945 121.384 120.400 0.064 0.000 2.218 209 K HA 0.067 4.386 4.320 -0.000 0.000 0.276 209 K C 0.769 177.333 176.600 -0.060 0.000 1.022 209 K CA -0.361 55.855 56.287 -0.118 0.000 0.946 209 K CB 1.141 33.423 32.500 -0.364 0.000 1.000 209 K HN 0.263 nan 8.250 nan 0.000 0.468 210 K N 1.029 121.385 120.400 -0.073 0.000 2.318 210 K HA -0.233 4.087 4.320 -0.000 0.000 0.204 210 K C 0.778 177.364 176.600 -0.023 0.000 1.044 210 K CA 2.103 58.367 56.287 -0.037 0.000 0.932 210 K CB -0.036 32.439 32.500 -0.041 0.000 0.734 210 K HN 0.870 nan 8.250 nan 0.000 0.473 211 G N -2.245 106.538 108.800 -0.028 0.000 1.924 211 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.077 211 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.077 211 G C 0.431 175.323 174.900 -0.014 0.000 1.448 211 G CA 0.020 45.112 45.100 -0.013 0.000 1.087 211 G HN 0.375 nan 8.290 nan 0.000 0.304 212 T N -0.625 113.918 114.554 -0.017 0.000 3.768 212 T HA 0.523 4.873 4.350 -0.000 0.000 0.372 212 T C 1.373 176.065 174.700 -0.014 0.000 1.243 212 T CA 2.056 64.148 62.100 -0.012 0.000 0.944 212 T CB 0.480 69.341 68.868 -0.012 0.000 1.883 212 T HN 2.693 nan 8.240 nan 0.000 0.541 213 S N -0.461 115.232 115.700 -0.012 0.000 3.443 213 S HA -0.268 4.202 4.470 -0.000 0.000 0.635 213 S C 0.726 175.323 174.600 -0.006 0.000 2.555 213 S CA 1.525 59.718 58.200 -0.012 0.000 2.778 213 S CB -1.619 61.569 63.200 -0.020 0.000 0.331 213 S HN 1.409 nan 8.310 nan 0.000 1.765 214 Q N 1.219 121.016 119.800 -0.004 0.000 2.619 214 Q HA 0.370 4.710 4.340 -0.000 0.000 0.195 214 Q C 1.929 177.934 176.000 0.009 0.000 0.910 214 Q CA 1.643 57.447 55.803 0.003 0.000 0.862 214 Q CB -0.492 28.247 28.738 0.003 0.000 1.123 214 Q HN 0.782 nan 8.270 nan 0.000 0.636 215 K N 0.673 121.077 120.400 0.007 0.000 2.442 215 K HA -0.099 4.221 4.320 -0.000 0.000 0.198 215 K C 0.787 177.401 176.600 0.023 0.000 1.044 215 K CA 1.179 57.478 56.287 0.019 0.000 0.948 215 K CB -0.085 32.422 32.500 0.012 0.000 0.762 215 K HN 0.233 nan 8.250 nan 0.000 0.472 216 D N 1.934 122.331 120.400 -0.006 0.000 2.144 216 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 216 D C 1.347 177.675 176.300 0.047 0.000 0.984 216 D CA 1.165 55.152 54.000 -0.021 0.000 0.834 216 D CB 0.120 40.897 40.800 -0.039 0.000 0.955 216 D HN 0.465 nan 8.370 nan 0.000 0.465 217 E N -1.068 119.156 120.200 0.040 0.000 2.476 217 E HA 0.051 4.401 4.350 -0.000 0.000 0.199 217 E C 1.424 178.043 176.600 0.032 0.000 1.021 217 E CA 0.028 56.452 56.400 0.040 0.000 0.907 217 E CB 0.517 30.227 29.700 0.018 0.000 0.974 217 E HN 0.050 nan 8.360 nan 0.000 0.489 218 T N 0.675 115.255 114.554 0.044 0.000 2.809 218 T HA -0.045 4.305 4.350 -0.000 0.000 0.260 218 T C 0.756 175.472 174.700 0.026 0.000 1.039 218 T CA 0.317 62.430 62.100 0.022 0.000 1.141 218 T CB -0.182 68.703 68.868 0.029 0.000 0.869 218 T HN 0.069 nan 8.240 nan 0.000 0.437 219 F N 2.331 122.237 119.950 -0.073 0.000 2.650 219 F HA -0.215 4.312 4.527 -0.000 0.000 0.255 219 F C 1.787 177.520 175.800 -0.111 0.000 1.090 219 F CA 1.120 59.067 58.000 -0.089 0.000 1.228 219 F CB 0.044 39.003 39.000 -0.069 0.000 1.190 219 F HN 0.159 nan 8.300 nan 0.000 0.572 220 N N -0.949 117.776 118.700 0.042 0.000 2.502 220 N HA -0.360 4.380 4.740 -0.000 0.000 0.217 220 N C 1.143 176.576 175.510 -0.129 0.000 0.320 220 N CA 2.091 55.159 53.050 0.030 0.000 4.005 220 N CB -1.381 37.173 38.487 0.112 0.000 0.857 220 N HN 0.569 nan 8.380 nan 0.000 0.254 221 L N 2.442 123.573 121.223 -0.154 0.000 2.081 221 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 221 L C -0.749 175.849 176.870 -0.453 0.000 1.080 221 L CA 2.342 57.052 54.840 -0.217 0.000 0.754 221 L CB -0.852 41.099 42.059 -0.181 0.000 0.893 221 L HN 0.326 nan 8.230 nan 0.000 0.433 222 P HA -0.087 nan 4.420 nan 0.000 0.222 222 P C 1.331 178.411 177.300 -0.367 0.000 1.157 222 P CA 1.192 63.775 63.100 -0.861 0.000 0.816 222 P CB -0.055 31.191 31.700 -0.757 0.000 0.813 223 R N -0.593 119.729 120.500 -0.298 0.000 2.148 223 R HA 0.079 4.419 4.340 -0.000 0.000 0.223 223 R C 2.512 178.755 176.300 -0.095 0.000 1.088 223 R CA 0.601 56.588 56.100 -0.188 0.000 0.985 223 R CB -0.739 29.442 30.300 -0.198 0.000 0.880 223 R HN 0.211 nan 8.270 nan 0.000 0.451 224 L N -0.337 120.832 121.223 -0.091 0.000 1.988 224 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 224 L C 2.325 179.195 176.870 0.001 0.000 1.071 224 L CA 1.223 56.045 54.840 -0.029 0.000 0.744 224 L CB -0.297 41.747 42.059 -0.024 0.000 0.893 224 L HN 0.307 nan 8.230 nan 0.000 0.433 225 C N -0.458 118.846 119.300 0.006 0.000 2.432 225 C HA -0.099 4.361 4.460 -0.000 0.000 0.280 225 C C 2.662 177.684 174.990 0.054 0.000 1.353 225 C CA 0.302 59.365 59.018 0.076 0.000 1.766 225 C CB -0.702 27.171 27.740 0.221 0.000 1.924 225 C HN 0.434 nan 8.230 nan 0.000 0.509 226 I N 0.289 120.881 120.570 0.037 0.000 2.333 226 I HA -0.130 4.040 4.170 -0.000 0.000 0.246 226 I C 2.745 178.937 176.117 0.125 0.000 1.106 226 I CA 1.301 62.645 61.300 0.073 0.000 1.411 226 I CB -0.334 37.670 38.000 0.005 0.000 1.082 226 I HN 0.237 nan 8.210 nan 0.000 0.420 227 R N 0.484 121.026 120.500 0.070 0.000 2.115 227 R HA -0.182 4.158 4.340 -0.000 0.000 0.230 227 R C 2.231 178.588 176.300 0.094 0.000 1.111 227 R CA 1.199 57.352 56.100 0.088 0.000 0.976 227 R CB -0.121 30.213 30.300 0.057 0.000 0.870 227 R HN 0.192 nan 8.270 nan 0.000 0.445 228 K N 0.065 120.503 120.400 0.064 0.000 2.001 228 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 228 K C 1.746 178.313 176.600 -0.056 0.000 1.048 228 K CA 1.379 57.687 56.287 0.035 0.000 0.932 228 K CB -0.209 32.310 32.500 0.031 0.000 0.715 228 K HN 0.054 nan 8.250 nan 0.000 0.437 229 F N 0.260 120.029 119.950 -0.300 0.000 2.102 229 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 229 F C 0.035 175.469 175.800 -0.610 0.000 1.105 229 F CA 0.994 58.582 58.000 -0.686 0.000 1.239 229 F CB 0.135 38.605 39.000 -0.884 0.000 0.991 229 F HN -0.134 nan 8.300 nan 0.000 0.474 230 F N 1.413 121.509 119.950 0.242 0.000 2.371 230 F HA 0.298 4.825 4.527 -0.000 0.000 0.363 230 F C -1.654 174.243 175.800 0.162 0.000 1.122 230 F CA -2.347 55.804 58.000 0.252 0.000 1.129 230 F CB 0.471 39.633 39.000 0.270 0.000 1.173 230 F HN -0.164 nan 8.300 nan 0.000 0.489 231 P HA -0.119 nan 4.420 nan 0.000 0.208 231 P C -0.094 177.351 177.300 0.243 0.000 1.200 231 P CA 1.105 64.326 63.100 0.202 0.000 0.924 231 P CB 0.245 32.036 31.700 0.152 0.000 0.774 232 K N 0.637 121.199 120.400 0.268 0.000 2.218 232 K HA 0.252 4.572 4.320 -0.000 0.000 0.276 232 K C -0.090 176.717 176.600 0.345 0.000 1.022 232 K CA 0.101 56.553 56.287 0.274 0.000 0.946 232 K CB 0.466 33.123 32.500 0.260 0.000 1.000 232 K HN 0.051 nan 8.250 nan 0.000 0.468 233 K N 2.744 123.323 120.400 0.299 0.000 2.427 233 K HA 0.380 4.699 4.320 -0.000 0.000 0.252 233 K C -1.018 175.695 176.600 0.188 0.000 0.931 233 K CA -0.946 55.536 56.287 0.325 0.000 0.793 233 K CB 2.234 34.934 32.500 0.334 0.000 1.211 233 K HN 0.228 nan 8.250 nan 0.000 0.426 234 K N 0.847 121.307 120.400 0.100 0.000 2.512 234 K HA 0.604 4.924 4.320 -0.000 0.000 0.263 234 K C -1.909 174.581 176.600 -0.183 0.000 0.966 234 K CA -0.625 55.571 56.287 -0.152 0.000 0.851 234 K CB 2.115 34.363 32.500 -0.420 0.000 1.395 234 K HN 0.718 nan 8.250 nan 0.000 0.440 235 C N 2.896 121.956 119.300 -0.400 0.000 2.698 235 C HA 0.785 5.245 4.460 -0.000 0.000 0.309 235 C C -1.775 172.817 174.990 -0.664 0.000 1.186 235 C CA -0.653 58.186 59.018 -0.298 0.000 1.474 235 C CB 0.108 27.735 27.740 -0.188 0.000 2.020 235 C HN 0.709 nan 8.230 nan 0.000 0.474 236 F N 4.310 124.174 119.950 -0.143 0.000 2.547 236 F HA 0.552 5.079 4.527 -0.000 0.000 0.316 236 F C 0.424 175.941 175.800 -0.472 0.000 1.121 236 F CA -0.627 57.162 58.000 -0.351 0.000 0.911 236 F CB 1.900 40.662 39.000 -0.396 0.000 1.179 236 F HN 0.656 nan 8.300 nan 0.000 0.443 237 V N 0.141 119.794 119.914 -0.435 0.000 2.997 237 V HA 0.648 4.767 4.120 -0.000 0.000 0.311 237 V C -1.036 174.737 176.094 -0.535 0.000 1.066 237 V CA -0.776 61.262 62.300 -0.436 0.000 1.039 237 V CB 1.749 33.226 31.823 -0.576 0.000 1.081 237 V HN 0.628 nan 8.190 nan 0.000 0.467 238 F N 0.153 120.155 119.950 0.087 0.000 2.839 238 F HA 0.374 4.901 4.527 -0.000 0.000 0.344 238 F C -0.568 175.390 175.800 0.264 0.000 1.242 238 F CA -0.772 57.332 58.000 0.174 0.000 1.091 238 F CB 1.617 40.711 39.000 0.156 0.000 1.374 238 F HN 0.502 nan 8.300 nan 0.000 0.553 239 D N 3.280 123.940 120.400 0.433 0.000 2.317 239 D HA 0.145 4.785 4.640 -0.000 0.000 0.252 239 D C 0.364 176.745 176.300 0.134 0.000 1.174 239 D CA -0.339 53.816 54.000 0.259 0.000 0.866 239 D CB 0.930 41.837 40.800 0.178 0.000 1.127 239 D HN 0.360 nan 8.370 nan 0.000 0.467 240 R N 3.766 124.269 120.500 0.005 0.000 3.506 240 R HA -0.181 4.159 4.340 -0.000 0.000 0.162 240 R C -1.759 174.318 176.300 -0.372 0.000 0.702 240 R CA -0.078 55.916 56.100 -0.176 0.000 0.882 240 R CB -0.133 30.068 30.300 -0.166 0.000 1.058 240 R HN 0.290 nan 8.270 nan 0.000 0.311 241 P HA -0.104 nan 4.420 nan 0.000 0.215 241 P C -0.311 176.724 177.300 -0.441 0.000 1.157 241 P CA 0.933 63.469 63.100 -0.940 0.000 0.868 241 P CB 0.297 31.410 31.700 -0.978 0.000 0.788 242 V N -1.814 117.899 119.914 -0.335 0.000 2.769 242 V HA 0.178 4.298 4.120 -0.000 0.000 0.312 242 V C 0.978 176.974 176.094 -0.165 0.000 1.061 242 V CA -0.419 61.774 62.300 -0.179 0.000 0.931 242 V CB 1.550 33.305 31.823 -0.115 0.000 1.010 242 V HN -0.019 nan 8.190 nan 0.000 0.433 243 H N 1.118 120.146 119.070 -0.069 0.000 2.372 243 H HA 0.147 4.703 4.556 -0.000 0.000 0.301 243 H C 1.589 176.885 175.328 -0.052 0.000 1.065 243 H CA 1.275 57.293 56.048 -0.050 0.000 1.364 243 H CB 0.156 29.900 29.762 -0.030 0.000 1.406 243 H HN 0.419 nan 8.280 nan 0.000 0.521 244 R N 0.721 121.261 120.500 0.067 0.000 2.696 244 R HA 0.198 4.538 4.340 -0.000 0.000 0.218 244 R C 0.304 176.583 176.300 -0.035 0.000 1.202 244 R CA -0.376 55.727 56.100 0.006 0.000 1.043 244 R CB 0.450 30.750 30.300 -0.000 0.000 1.292 244 R HN 0.238 nan 8.270 nan 0.000 0.521 245 R N 0.902 121.374 120.500 -0.046 0.000 3.026 245 R HA 0.196 4.536 4.340 -0.000 0.000 0.317 245 R C -0.380 175.879 176.300 -0.069 0.000 1.278 245 R CA -0.210 55.847 56.100 -0.072 0.000 1.407 245 R CB 0.396 30.651 30.300 -0.075 0.000 1.368 245 R HN 0.330 nan 8.270 nan 0.000 0.612 246 K N 0.949 121.312 120.400 -0.062 0.000 2.706 246 K HA 0.155 4.475 4.320 -0.000 0.000 0.217 246 K C 1.182 177.724 176.600 -0.098 0.000 1.019 246 K CA -0.046 56.202 56.287 -0.064 0.000 1.181 246 K CB -0.012 32.462 32.500 -0.044 0.000 0.940 246 K HN 0.380 nan 8.250 nan 0.000 0.491 247 L N -0.527 120.620 121.223 -0.126 0.000 2.265 247 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 247 L C 1.986 178.743 176.870 -0.188 0.000 1.117 247 L CA 1.038 55.766 54.840 -0.186 0.000 0.782 247 L CB -0.132 41.812 42.059 -0.192 0.000 0.914 247 L HN 0.312 nan 8.230 nan 0.000 0.441 248 A N -1.344 121.393 122.820 -0.138 0.000 2.140 248 A HA 0.092 4.412 4.320 -0.000 0.000 0.209 248 A C 0.711 178.230 177.584 -0.109 0.000 1.181 248 A CA -0.120 51.840 52.037 -0.129 0.000 0.824 248 A CB 0.150 19.087 19.000 -0.105 0.000 0.879 248 A HN 0.323 nan 8.150 nan 0.000 0.480 249 Q N -0.849 118.898 119.800 -0.089 0.000 2.274 249 Q HA 0.638 4.978 4.340 -0.000 0.000 0.256 249 Q C -0.173 175.779 176.000 -0.080 0.000 0.927 249 Q CA -0.125 55.636 55.803 -0.070 0.000 0.939 249 Q CB 1.959 30.671 28.738 -0.045 0.000 1.201 249 Q HN 0.225 nan 8.270 nan 0.000 0.426 250 L N 1.303 122.486 121.223 -0.065 0.000 2.726 250 L HA 0.103 4.443 4.340 -0.000 0.000 0.287 250 L C 1.073 177.988 176.870 0.074 0.000 1.047 250 L CA 0.833 55.631 54.840 -0.069 0.000 1.304 250 L CB 0.356 42.254 42.059 -0.267 0.000 2.440 250 L HN 0.682 nan 8.230 nan 0.000 0.569 251 E N 1.022 121.267 120.200 0.075 0.000 2.284 251 E HA -0.246 4.104 4.350 -0.000 0.000 0.200 251 E C 0.916 177.572 176.600 0.094 0.000 1.008 251 E CA 1.489 57.959 56.400 0.117 0.000 0.829 251 E CB 0.023 29.756 29.700 0.055 0.000 0.744 251 E HN 0.478 nan 8.360 nan 0.000 0.491 252 K N -0.012 120.426 120.400 0.063 0.000 2.536 252 K HA 0.182 4.502 4.320 -0.000 0.000 0.203 252 K C -0.142 176.487 176.600 0.047 0.000 1.063 252 K CA -0.124 56.191 56.287 0.047 0.000 1.063 252 K CB 0.465 32.979 32.500 0.022 0.000 0.843 252 K HN -0.064 nan 8.250 nan 0.000 0.521 253 L N 3.134 124.396 121.223 0.064 0.000 2.309 253 L HA 0.318 4.658 4.340 -0.000 0.000 0.282 253 L C 0.193 177.115 176.870 0.086 0.000 1.036 253 L CA -0.950 53.927 54.840 0.062 0.000 0.806 253 L CB 1.710 43.798 42.059 0.049 0.000 1.220 253 L HN 0.249 nan 8.230 nan 0.000 0.429 254 Q N 1.338 121.181 119.800 0.071 0.000 2.212 254 Q HA 0.192 4.532 4.340 -0.000 0.000 0.238 254 Q C -0.463 175.590 176.000 0.089 0.000 0.955 254 Q CA -0.891 54.958 55.803 0.077 0.000 0.906 254 Q CB 1.440 30.212 28.738 0.058 0.000 1.215 254 Q HN 0.470 nan 8.270 nan 0.000 0.478 255 D N 1.091 121.547 120.400 0.093 0.000 2.264 255 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 255 D C 1.275 177.636 176.300 0.102 0.000 0.966 255 D CA 1.003 55.071 54.000 0.114 0.000 0.864 255 D CB 0.181 41.042 40.800 0.102 0.000 0.933 255 D HN 0.565 nan 8.370 nan 0.000 0.499 256 E N 1.088 121.334 120.200 0.077 0.000 2.086 256 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 256 E C 1.833 178.477 176.600 0.073 0.000 1.012 256 E CA 1.112 57.553 56.400 0.067 0.000 0.812 256 E CB -0.150 29.580 29.700 0.050 0.000 0.743 256 E HN 0.384 nan 8.360 nan 0.000 0.453 257 E N 0.035 120.277 120.200 0.070 0.000 2.347 257 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 257 E C 0.058 176.707 176.600 0.081 0.000 1.008 257 E CA 0.020 56.458 56.400 0.062 0.000 0.852 257 E CB 0.094 29.822 29.700 0.047 0.000 0.783 257 E HN 0.194 nan 8.360 nan 0.000 0.505 258 L N 1.302 122.589 121.223 0.106 0.000 2.418 258 L HA 0.109 4.449 4.340 -0.000 0.000 0.265 258 L C 0.654 177.620 176.870 0.159 0.000 1.143 258 L CA -0.749 54.163 54.840 0.120 0.000 0.809 258 L CB 0.345 42.518 42.059 0.190 0.000 1.124 258 L HN -0.040 nan 8.230 nan 0.000 0.456 259 D N 3.526 124.016 120.400 0.150 0.000 2.581 259 D HA -0.052 4.588 4.640 -0.000 0.000 0.238 259 D C -1.624 174.806 176.300 0.216 0.000 1.145 259 D CA -0.735 53.382 54.000 0.195 0.000 0.866 259 D CB 1.205 42.026 40.800 0.034 0.000 1.151 259 D HN 0.301 nan 8.370 nan 0.000 0.500 260 P HA -0.010 nan 4.420 nan 0.000 0.245 260 P C 0.772 178.159 177.300 0.144 0.000 1.212 260 P CA 0.476 63.669 63.100 0.154 0.000 0.774 260 P CB 0.360 32.130 31.700 0.115 0.000 0.999 261 E N -1.224 119.074 120.200 0.165 0.000 2.400 261 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 261 E C 1.377 178.086 176.600 0.181 0.000 1.012 261 E CA 0.007 56.492 56.400 0.141 0.000 0.875 261 E CB -0.199 29.577 29.700 0.127 0.000 0.859 261 E HN 0.088 nan 8.360 nan 0.000 0.498 262 F N 0.263 120.267 119.950 0.090 0.000 2.234 262 F HA -0.077 4.450 4.527 -0.000 0.000 0.296 262 F C 1.764 177.646 175.800 0.137 0.000 1.089 262 F CA 0.735 58.812 58.000 0.128 0.000 1.343 262 F CB -0.134 38.928 39.000 0.105 0.000 1.040 262 F HN -0.166 nan 8.300 nan 0.000 0.498 263 V N 0.692 120.678 119.914 0.121 0.000 2.255 263 V HA -0.352 3.768 4.120 -0.000 0.000 0.247 263 V C 2.463 178.531 176.094 -0.044 0.000 1.051 263 V CA 2.283 64.588 62.300 0.009 0.000 1.018 263 V CB -0.866 31.019 31.823 0.104 0.000 0.641 263 V HN 0.368 nan 8.190 nan 0.000 0.445 264 Q N 0.125 119.932 119.800 0.011 0.000 2.096 264 Q HA -0.281 4.059 4.340 -0.000 0.000 0.208 264 Q C 2.178 178.159 176.000 -0.031 0.000 0.993 264 Q CA 2.228 58.034 55.803 0.006 0.000 0.862 264 Q CB -0.384 28.373 28.738 0.032 0.000 0.915 264 Q HN 0.738 nan 8.270 nan 0.000 0.416 265 Q N -1.416 118.344 119.800 -0.066 0.000 2.187 265 Q HA -0.016 4.324 4.340 -0.000 0.000 0.199 265 Q C 2.099 178.049 176.000 -0.084 0.000 0.957 265 Q CA 1.171 56.911 55.803 -0.104 0.000 0.857 265 Q CB 0.228 28.886 28.738 -0.133 0.000 0.929 265 Q HN 0.238 nan 8.270 nan 0.000 0.453 266 V N 1.064 120.896 119.914 -0.137 0.000 2.358 266 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 266 V C 2.290 178.359 176.094 -0.042 0.000 1.047 266 V CA 1.809 64.050 62.300 -0.099 0.000 1.035 266 V CB -0.969 30.647 31.823 -0.344 0.000 0.658 266 V HN 0.379 nan 8.190 nan 0.000 0.452 267 A N -0.065 122.718 122.820 -0.062 0.000 1.940 267 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 267 A C 1.957 179.512 177.584 -0.049 0.000 1.176 267 A CA 2.213 54.228 52.037 -0.036 0.000 0.631 267 A CB -0.618 18.376 19.000 -0.009 0.000 0.814 267 A HN 0.530 nan 8.150 nan 0.000 0.446 268 D N -1.694 118.679 120.400 -0.046 0.000 2.224 268 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 268 D C 1.489 177.691 176.300 -0.163 0.000 0.965 268 D CA 0.972 54.955 54.000 -0.028 0.000 0.852 268 D CB -0.234 40.593 40.800 0.044 0.000 0.947 268 D HN 0.562 nan 8.370 nan 0.000 0.494 269 F N 0.202 119.827 119.950 -0.541 0.000 2.270 269 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 269 F C 2.031 177.487 175.800 -0.573 0.000 1.087 269 F CA 0.681 58.099 58.000 -0.970 0.000 1.365 269 F CB -0.276 38.224 39.000 -0.833 0.000 1.056 269 F HN -0.089 nan 8.300 nan 0.000 0.506 270 C N 0.169 119.146 119.300 -0.538 0.000 2.413 270 C HA -0.171 4.289 4.460 -0.000 0.000 0.276 270 C C 3.252 177.758 174.990 -0.807 0.000 1.248 270 C CA 1.700 60.193 59.018 -0.875 0.000 1.742 270 C CB -1.364 26.057 27.740 -0.531 0.000 2.017 270 C HN 0.720 nan 8.230 nan 0.000 0.481 271 S N -0.925 114.585 115.700 -0.317 0.000 2.382 271 S HA -0.223 4.247 4.470 -0.000 0.000 0.228 271 S C 1.769 176.336 174.600 -0.056 0.000 1.027 271 S CA 1.594 59.747 58.200 -0.079 0.000 0.991 271 S CB -0.552 62.659 63.200 0.019 0.000 0.823 271 S HN 0.704 nan 8.310 nan 0.000 0.469 272 Y N 1.685 121.843 120.300 -0.237 0.000 2.184 272 Y HA -0.012 4.538 4.550 -0.000 0.000 0.290 272 Y C 2.042 177.830 175.900 -0.188 0.000 1.129 272 Y CA 1.686 59.715 58.100 -0.118 0.000 1.144 272 Y CB -0.249 38.229 38.460 0.029 0.000 0.995 272 Y HN 0.222 nan 8.280 nan 0.000 0.513 273 I N 0.002 120.400 120.570 -0.287 0.000 2.127 273 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 273 I C 2.396 178.427 176.117 -0.143 0.000 1.075 273 I CA 1.870 62.962 61.300 -0.347 0.000 1.334 273 I CB -1.727 35.850 38.000 -0.704 0.000 1.040 273 I HN 0.291 nan 8.210 nan 0.000 0.405 274 F N 0.940 120.789 119.950 -0.168 0.000 2.161 274 F HA -0.209 4.318 4.527 -0.000 0.000 0.300 274 F C 2.747 178.549 175.800 0.003 0.000 1.089 274 F CA 0.992 58.962 58.000 -0.049 0.000 1.282 274 F CB -0.383 38.581 39.000 -0.061 0.000 1.010 274 F HN 0.041 nan 8.300 nan 0.000 0.485 275 S N -0.699 115.055 115.700 0.090 0.000 2.436 275 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 275 S C 1.421 175.951 174.600 -0.116 0.000 1.014 275 S CA 0.691 58.882 58.200 -0.014 0.000 0.950 275 S CB -0.066 63.111 63.200 -0.039 0.000 0.784 275 S HN 0.377 nan 8.310 nan 0.000 0.504 276 N N 0.028 118.597 118.700 -0.218 0.000 2.325 276 N HA 0.149 4.889 4.740 -0.000 0.000 0.220 276 N C -0.396 175.023 175.510 -0.151 0.000 1.176 276 N CA 0.094 52.967 53.050 -0.295 0.000 0.861 276 N CB 0.318 38.386 38.487 -0.697 0.000 1.230 276 N HN 0.062 nan 8.380 nan 0.000 0.479 277 S N 2.811 118.460 115.700 -0.085 0.000 2.544 277 S HA 0.005 4.475 4.470 -0.000 0.000 0.290 277 S C 0.642 175.265 174.600 0.037 0.000 1.276 277 S CA 0.161 58.374 58.200 0.022 0.000 1.075 277 S CB 0.360 63.597 63.200 0.062 0.000 0.849 277 S HN 0.245 nan 8.310 nan 0.000 0.494 278 K N 1.830 122.263 120.400 0.054 0.000 2.102 278 K HA 0.337 4.657 4.320 -0.000 0.000 0.244 278 K C -0.363 176.278 176.600 0.067 0.000 1.021 278 K CA -0.733 55.580 56.287 0.042 0.000 0.913 278 K CB 0.156 32.693 32.500 0.062 0.000 1.062 278 K HN 0.308 nan 8.250 nan 0.000 0.485 279 T N 1.646 116.240 114.554 0.067 0.000 2.870 279 T HA 0.030 4.380 4.350 -0.000 0.000 0.300 279 T C -0.032 174.741 174.700 0.121 0.000 0.989 279 T CA -0.189 61.984 62.100 0.122 0.000 1.139 279 T CB 0.602 69.572 68.868 0.169 0.000 0.920 279 T HN 0.501 nan 8.240 nan 0.000 0.537 280 K N 2.568 123.049 120.400 0.135 0.000 2.448 280 K HA 0.197 4.517 4.320 -0.000 0.000 0.278 280 K C -0.382 176.291 176.600 0.121 0.000 1.009 280 K CA 0.324 56.695 56.287 0.139 0.000 0.995 280 K CB 0.363 32.952 32.500 0.148 0.000 0.917 280 K HN 0.535 nan 8.250 nan 0.000 0.481 281 T N 4.983 119.621 114.554 0.139 0.000 2.991 281 T HA 0.322 4.672 4.350 -0.000 0.000 0.303 281 T C -0.646 174.117 174.700 0.106 0.000 1.015 281 T CA -0.742 61.418 62.100 0.101 0.000 1.007 281 T CB 0.467 69.387 68.868 0.087 0.000 1.034 281 T HN 0.469 nan 8.240 nan 0.000 0.446 282 L N 2.412 123.634 121.223 -0.002 0.000 2.479 282 L HA 0.322 4.662 4.340 -0.000 0.000 0.270 282 L C 1.287 177.938 176.870 -0.365 0.000 1.236 282 L CA -0.593 54.167 54.840 -0.132 0.000 0.823 282 L CB 0.181 42.170 42.059 -0.117 0.000 1.098 282 L HN 0.700 nan 8.230 nan 0.000 0.500 283 S N -0.314 114.968 115.700 -0.697 0.000 2.585 283 S HA 0.405 4.875 4.470 -0.000 0.000 0.273 283 S C 1.040 175.420 174.600 -0.366 0.000 1.339 283 S CA -0.175 57.558 58.200 -0.777 0.000 1.028 283 S CB 1.257 63.866 63.200 -0.985 0.000 0.906 283 S HN 1.083 nan 8.310 nan 0.000 0.528 284 G N 0.841 109.474 108.800 -0.277 0.000 2.179 284 G HA2 0.093 4.053 3.960 -0.000 0.000 0.260 284 G HA3 0.093 4.053 3.960 -0.000 0.000 0.260 284 G C 1.084 175.910 174.900 -0.123 0.000 0.977 284 G CA 0.542 45.544 45.100 -0.163 0.000 0.641 284 G HN 2.345 nan 8.290 nan 0.000 0.533 285 G N -1.070 107.648 108.800 -0.136 0.000 2.238 285 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 285 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 285 G C 0.449 175.315 174.900 -0.056 0.000 0.996 285 G CA 0.155 45.207 45.100 -0.080 0.000 0.632 285 G HN 1.330 nan 8.290 nan 0.000 0.503 286 I N 2.172 122.701 120.570 -0.068 0.000 2.683 286 I HA 0.145 4.315 4.170 -0.000 0.000 0.286 286 I C 1.113 177.216 176.117 -0.023 0.000 1.175 286 I CA 0.384 61.657 61.300 -0.045 0.000 1.429 286 I CB 0.618 38.586 38.000 -0.053 0.000 1.371 286 I HN 0.228 nan 8.210 nan 0.000 0.569 287 Q N 4.222 124.017 119.800 -0.009 0.000 2.327 287 Q HA 0.289 4.628 4.340 -0.000 0.000 0.254 287 Q C -0.728 175.279 176.000 0.011 0.000 0.952 287 Q CA -0.446 55.365 55.803 0.013 0.000 0.884 287 Q CB 1.521 30.266 28.738 0.012 0.000 1.224 287 Q HN 0.439 nan 8.270 nan 0.000 0.422 288 V N 4.324 124.259 119.914 0.035 0.000 2.461 288 V HA 0.126 4.246 4.120 -0.000 0.000 0.275 288 V C 0.126 176.238 176.094 0.030 0.000 1.047 288 V CA -0.325 61.996 62.300 0.034 0.000 0.955 288 V CB 0.735 32.595 31.823 0.061 0.000 0.988 288 V HN 0.841 nan 8.190 nan 0.000 0.471 289 N N 4.002 122.710 118.700 0.012 0.000 2.815 289 N HA 0.469 5.209 4.740 -0.000 0.000 0.315 289 N C 1.191 176.709 175.510 0.013 0.000 1.320 289 N CA -0.102 52.952 53.050 0.007 0.000 0.846 289 N CB 0.706 39.185 38.487 -0.014 0.000 1.344 289 N HN 0.451 nan 8.380 nan 0.000 0.593 290 G N 0.212 109.018 108.800 0.010 0.000 2.833 290 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 290 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 290 G C -1.028 173.880 174.900 0.012 0.000 1.228 290 G CA 1.638 46.747 45.100 0.015 0.000 0.779 290 G HN 0.619 nan 8.290 nan 0.000 0.651 291 P HA -0.005 nan 4.420 nan 0.000 0.217 291 P C 1.896 179.189 177.300 -0.012 0.000 1.150 291 P CA 1.192 64.289 63.100 -0.005 0.000 0.832 291 P CB -0.081 31.613 31.700 -0.010 0.000 0.787 292 R N -1.333 119.160 120.500 -0.012 0.000 2.189 292 R HA -0.028 4.311 4.340 -0.000 0.000 0.223 292 R C 2.028 178.319 176.300 -0.014 0.000 1.092 292 R CA 0.553 56.641 56.100 -0.020 0.000 0.989 292 R CB -0.845 29.445 30.300 -0.017 0.000 0.876 292 R HN 0.180 nan 8.270 nan 0.000 0.457 293 L N 1.230 122.458 121.223 0.009 0.000 2.068 293 L HA -0.096 4.243 4.340 -0.000 0.000 0.204 293 L C 2.316 179.191 176.870 0.009 0.000 1.076 293 L CA 1.758 56.613 54.840 0.024 0.000 0.753 293 L CB -0.483 41.608 42.059 0.054 0.000 0.910 293 L HN 0.124 nan 8.230 nan 0.000 0.439 294 E N -1.104 119.100 120.200 0.006 0.000 2.136 294 E HA -0.321 4.029 4.350 -0.000 0.000 0.202 294 E C 2.022 178.607 176.600 -0.024 0.000 1.019 294 E CA 1.785 58.184 56.400 -0.001 0.000 0.819 294 E CB -0.260 29.439 29.700 -0.002 0.000 0.739 294 E HN 0.520 nan 8.360 nan 0.000 0.458 295 S N -0.958 114.717 115.700 -0.042 0.000 2.524 295 S HA 0.090 4.560 4.470 -0.000 0.000 0.216 295 S C 1.855 176.378 174.600 -0.128 0.000 0.987 295 S CA -0.190 57.969 58.200 -0.069 0.000 0.909 295 S CB 0.017 63.179 63.200 -0.062 0.000 0.781 295 S HN 0.386 nan 8.310 nan 0.000 0.521 296 L N 0.826 121.964 121.223 -0.142 0.000 2.131 296 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 296 L C 2.406 179.134 176.870 -0.238 0.000 1.087 296 L CA 0.795 55.459 54.840 -0.295 0.000 0.767 296 L CB -0.274 41.670 42.059 -0.191 0.000 0.917 296 L HN 0.247 nan 8.230 nan 0.000 0.441 297 V N 0.164 120.045 119.914 -0.055 0.000 2.295 297 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 297 V C 2.362 178.460 176.094 0.007 0.000 1.049 297 V CA 1.584 63.902 62.300 0.030 0.000 1.024 297 V CB -0.262 31.587 31.823 0.044 0.000 0.648 297 V HN 0.334 nan 8.190 nan 0.000 0.447 298 L N -0.575 120.629 121.223 -0.032 0.000 2.017 298 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 298 L C 2.662 179.506 176.870 -0.043 0.000 1.073 298 L CA 2.033 56.854 54.840 -0.032 0.000 0.745 298 L CB -0.838 41.198 42.059 -0.039 0.000 0.894 298 L HN 0.343 nan 8.230 nan 0.000 0.432 299 T N -1.256 113.236 114.554 -0.103 0.000 2.652 299 T HA -0.239 4.111 4.350 -0.000 0.000 0.267 299 T C 1.714 176.413 174.700 -0.001 0.000 1.039 299 T CA 1.600 63.633 62.100 -0.112 0.000 1.153 299 T CB -0.392 68.329 68.868 -0.245 0.000 0.863 299 T HN 0.324 nan 8.240 nan 0.000 0.428 300 Y N 0.355 120.655 120.300 0.000 0.000 2.314 300 Y HA -0.084 4.466 4.550 -0.000 0.000 0.293 300 Y C 2.634 178.506 175.900 -0.048 0.000 1.129 300 Y CA -0.044 58.053 58.100 -0.005 0.000 1.201 300 Y CB -0.136 38.344 38.460 0.033 0.000 0.999 300 Y HN 0.017 nan 8.280 nan 0.000 0.541 301 V N 0.345 120.323 119.914 0.106 0.000 2.307 301 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 301 V C 1.604 177.675 176.094 -0.037 0.000 1.045 301 V CA 1.897 64.207 62.300 0.017 0.000 1.024 301 V CB -0.600 31.233 31.823 0.016 0.000 0.651 301 V HN 0.427 nan 8.190 nan 0.000 0.449 302 N N 0.970 119.657 118.700 -0.021 0.000 2.205 302 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 302 N C 1.672 177.150 175.510 -0.052 0.000 1.015 302 N CA 1.565 54.593 53.050 -0.037 0.000 0.862 302 N CB -0.516 37.956 38.487 -0.025 0.000 0.986 302 N HN 0.517 nan 8.380 nan 0.000 0.429 303 A N -0.266 122.534 122.820 -0.033 0.000 2.119 303 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 303 A C 2.115 179.610 177.584 -0.149 0.000 1.152 303 A CA 0.519 52.531 52.037 -0.042 0.000 0.708 303 A CB -0.271 18.755 19.000 0.043 0.000 0.805 303 A HN 0.223 nan 8.150 nan 0.000 0.460 304 I N -0.985 119.440 120.570 -0.241 0.000 2.867 304 I HA -0.026 4.144 4.170 -0.000 0.000 0.265 304 I C 0.798 176.677 176.117 -0.396 0.000 1.162 304 I CA 0.470 61.461 61.300 -0.515 0.000 1.471 304 I CB 0.332 37.922 38.000 -0.683 0.000 1.123 304 I HN 0.054 nan 8.210 nan 0.000 0.440 305 S N 0.554 116.122 115.700 -0.221 0.000 3.456 305 S HA 0.174 4.644 4.470 -0.000 0.000 0.229 305 S C 0.762 175.314 174.600 -0.081 0.000 1.416 305 S CA -0.136 57.987 58.200 -0.130 0.000 1.197 305 S CB -0.107 63.043 63.200 -0.084 0.000 1.201 305 S HN 0.296 nan 8.310 nan 0.000 0.479 306 S N 0.502 116.152 115.700 -0.083 0.000 3.600 306 S HA 0.615 5.085 4.470 -0.000 0.000 0.179 306 S C 0.923 175.517 174.600 -0.011 0.000 0.816 306 S CA -0.061 58.117 58.200 -0.036 0.000 0.916 306 S CB 0.466 63.648 63.200 -0.030 0.000 1.164 306 S HN 0.552 nan 8.310 nan 0.000 0.709 307 G N 3.533 112.332 108.800 -0.001 0.000 3.678 307 G HA2 0.185 4.145 3.960 -0.000 0.000 0.235 307 G HA3 0.185 4.145 3.960 -0.000 0.000 0.235 307 G C -0.949 173.987 174.900 0.060 0.000 3.905 307 G CA -0.400 44.725 45.100 0.042 0.000 0.513 307 G HN 0.470 nan 8.290 nan 0.000 0.266 308 D N 0.000 120.441 120.400 0.069 0.000 6.856 308 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 308 D CA 0.000 54.056 54.000 0.092 0.000 0.868 308 D CB 0.000 40.844 40.800 0.073 0.000 0.688 308 D HN 0.000 nan 8.370 nan 0.000 0.683