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 3a7g_1_B DATA FIRST_RESID 8 DATA SEQUENCE SGLPGMQNLK ADPEELFTKL EKIGKGSFGE VFKGIDNRTQ KVVAIKIIDL DATA SEQUENCE EEAEDEIEDI QQEITVLSQC DSPYVTKYYG SYLKDTKLWI IMEYLGGGSA DATA SEQUENCE LDLLEPGPLD ETQIATILRE ILKGLDYLHS EKKIHRDIKA ANVLLSEHGE DATA SEQUENCE VKLADFGVAG QLTDTQIKRN XFVGTPFWMA PEVIKQSAYD SKADIWSLGI DATA SEQUENCE TAIELARGEP PHSELHPMKV LFLIPKNNPP TLEGNYSKPL KEFVEACLNK DATA SEQUENCE EPSFRPTAKE LLKHKFILRN AKKTSYLTEL IDRYKRWKAE Q 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 8 S HA 0.000 nan 4.470 nan 0.000 0.327 8 S C 0.000 174.606 174.600 0.011 0.000 1.055 8 S CA 0.000 58.205 58.200 0.008 0.000 1.107 8 S CB 0.000 63.205 63.200 0.009 0.000 0.593 9 G N 1.198 110.004 108.800 0.011 0.000 2.434 9 G HA2 0.263 4.226 3.960 0.005 0.000 0.671 9 G HA3 0.263 4.226 3.960 0.005 0.000 0.671 9 G C -1.368 173.542 174.900 0.016 0.000 1.280 9 G CA -0.523 44.585 45.100 0.015 0.000 0.975 9 G HN 1.075 nan 8.290 nan 0.000 0.510 10 L N 1.829 123.066 121.223 0.023 0.000 2.281 10 L HA 0.651 4.994 4.340 0.005 0.000 0.285 10 L C -1.810 175.087 176.870 0.045 0.000 1.074 10 L CA -1.738 53.118 54.840 0.027 0.000 0.817 10 L CB 0.729 42.812 42.059 0.039 0.000 1.168 10 L HN 0.398 nan 8.230 nan 0.000 0.434 11 P HA 0.261 nan 4.420 nan 0.000 0.268 11 P C 0.573 177.988 177.300 0.191 0.000 1.205 11 P CA 0.713 63.863 63.100 0.082 0.000 0.771 11 P CB 0.750 32.487 31.700 0.061 0.000 0.858 12 G N 1.666 110.556 108.800 0.150 0.000 2.184 12 G HA2 -0.265 3.698 3.960 0.005 0.000 0.264 12 G HA3 -0.265 3.698 3.960 0.005 0.000 0.264 12 G C 0.371 175.270 174.900 -0.002 0.000 0.975 12 G CA -0.363 44.801 45.100 0.108 0.000 0.642 12 G HN 0.442 nan 8.290 nan 0.000 0.536 13 M N 0.905 120.518 119.600 0.022 0.000 2.251 13 M HA 0.173 4.656 4.480 0.005 0.000 0.343 13 M C 0.757 176.981 176.300 -0.127 0.000 1.245 13 M CA 0.830 56.102 55.300 -0.047 0.000 1.061 13 M CB 0.526 33.125 32.600 -0.002 0.000 1.723 13 M HN 0.293 nan 8.290 nan 0.000 0.449 14 Q N 1.913 121.560 119.800 -0.255 0.000 2.195 14 Q HA 0.280 4.623 4.340 0.005 0.000 0.250 14 Q C -0.393 175.570 176.000 -0.062 0.000 0.988 14 Q CA -0.726 54.942 55.803 -0.226 0.000 0.911 14 Q CB 0.478 28.907 28.738 -0.515 0.000 1.258 14 Q HN 0.618 nan 8.270 nan 0.000 0.475 15 N N 0.570 119.270 118.700 -0.000 0.000 2.301 15 N HA -0.114 4.629 4.740 0.005 0.000 0.267 15 N C 0.636 176.181 175.510 0.058 0.000 1.304 15 N CA -0.028 53.040 53.050 0.030 0.000 0.851 15 N CB 0.290 38.799 38.487 0.036 0.000 1.070 15 N HN 0.402 nan 8.380 nan 0.000 0.483 16 L N 2.372 123.619 121.223 0.041 0.000 2.700 16 L HA -0.053 4.290 4.340 0.005 0.000 0.240 16 L C 1.662 178.554 176.870 0.036 0.000 1.162 16 L CA 0.501 55.370 54.840 0.048 0.000 0.874 16 L CB -0.341 41.738 42.059 0.034 0.000 1.001 16 L HN 0.547 nan 8.230 nan 0.000 0.447 17 K N 0.757 121.176 120.400 0.032 0.000 2.361 17 K HA 0.238 4.561 4.320 0.005 0.000 0.194 17 K C 0.719 177.323 176.600 0.007 0.000 1.032 17 K CA 0.011 56.305 56.287 0.012 0.000 1.048 17 K CB 0.339 32.842 32.500 0.005 0.000 0.842 17 K HN 0.154 nan 8.250 nan 0.000 0.526 18 A N 1.342 124.189 122.820 0.046 0.000 2.409 18 A HA 0.161 4.484 4.320 0.005 0.000 0.267 18 A C -0.707 176.861 177.584 -0.027 0.000 1.127 18 A CA -0.231 51.830 52.037 0.040 0.000 0.795 18 A CB 0.122 19.233 19.000 0.185 0.000 1.061 18 A HN 0.194 nan 8.150 nan 0.000 0.502 19 D N 3.965 124.282 120.400 -0.137 0.000 2.412 19 D HA 0.316 4.959 4.640 0.005 0.000 0.224 19 D C -1.417 174.646 176.300 -0.395 0.000 1.093 19 D CA -2.114 51.749 54.000 -0.228 0.000 0.850 19 D CB 1.333 42.027 40.800 -0.177 0.000 1.046 19 D HN 0.213 nan 8.370 nan 0.000 0.507 20 P HA -0.158 nan 4.420 nan 0.000 0.219 20 P C 0.752 177.621 177.300 -0.718 0.000 1.146 20 P CA 0.971 63.578 63.100 -0.822 0.000 0.808 20 P CB 0.485 31.372 31.700 -1.356 0.000 0.779 21 E N 0.046 119.820 120.200 -0.711 0.000 2.268 21 E HA -0.144 4.209 4.350 0.005 0.000 0.195 21 E C 1.841 178.335 176.600 -0.177 0.000 0.995 21 E CA 0.814 57.010 56.400 -0.341 0.000 0.836 21 E CB -0.085 29.498 29.700 -0.194 0.000 0.763 21 E HN 0.518 nan 8.360 nan 0.000 0.491 22 E N 0.172 120.239 120.200 -0.221 0.000 2.216 22 E HA 0.026 4.379 4.350 0.005 0.000 0.192 22 E C 2.048 178.513 176.600 -0.225 0.000 0.973 22 E CA 0.134 56.429 56.400 -0.174 0.000 0.851 22 E CB 0.267 29.872 29.700 -0.159 0.000 0.804 22 E HN 0.194 nan 8.360 nan 0.000 0.477 23 L N -0.044 120.982 121.223 -0.328 0.000 2.240 23 L HA 0.071 4.414 4.340 0.005 0.000 0.211 23 L C 0.186 176.578 176.870 -0.797 0.000 1.106 23 L CA 0.580 55.073 54.840 -0.578 0.000 0.793 23 L CB 0.130 41.731 42.059 -0.763 0.000 0.927 23 L HN -0.017 nan 8.230 nan 0.000 0.446 24 F N -1.415 118.441 119.950 -0.157 0.000 2.565 24 F HA 0.318 4.848 4.527 0.005 0.000 0.313 24 F C 0.231 176.041 175.800 0.017 0.000 1.091 24 F CA -0.769 57.210 58.000 -0.034 0.000 0.915 24 F CB 1.766 40.806 39.000 0.066 0.000 1.208 24 F HN -0.425 nan 8.300 nan 0.000 0.453 25 T N 2.438 117.104 114.554 0.187 0.000 2.744 25 T HA 0.224 4.577 4.350 0.005 0.000 0.291 25 T C -0.357 174.430 174.700 0.145 0.000 0.957 25 T CA -0.671 61.502 62.100 0.123 0.000 1.002 25 T CB 0.643 69.544 68.868 0.055 0.000 0.919 25 T HN 0.454 nan 8.240 nan 0.000 0.468 26 K N 4.955 125.424 120.400 0.115 0.000 2.258 26 K HA 0.483 4.806 4.320 0.005 0.000 0.284 26 K C -0.329 176.290 176.600 0.033 0.000 1.051 26 K CA -0.487 55.815 56.287 0.026 0.000 0.923 26 K CB 0.430 32.840 32.500 -0.149 0.000 1.046 26 K HN 0.507 nan 8.250 nan 0.000 0.474 27 L N 1.766 123.032 121.223 0.072 0.000 2.731 27 L HA 0.302 4.644 4.340 0.005 0.000 0.199 27 L C 0.567 177.537 176.870 0.167 0.000 1.976 27 L CA -0.935 53.954 54.840 0.082 0.000 2.802 27 L CB -0.036 42.047 42.059 0.040 0.000 2.882 27 L HN 0.741 nan 8.230 nan 0.000 0.651 28 E N 1.887 122.165 120.200 0.130 0.000 2.373 28 E HA 0.021 4.374 4.350 0.005 0.000 0.263 28 E C -0.785 175.891 176.600 0.127 0.000 1.073 28 E CA -0.456 56.030 56.400 0.143 0.000 0.894 28 E CB 0.983 30.721 29.700 0.064 0.000 1.008 28 E HN 0.302 nan 8.360 nan 0.000 0.420 29 K N 3.049 123.442 120.400 -0.012 0.000 2.416 29 K HA 0.064 4.387 4.320 0.005 0.000 0.283 29 K C 0.947 177.398 176.600 -0.250 0.000 1.037 29 K CA -0.029 55.982 56.287 -0.460 0.000 0.995 29 K CB 0.097 32.281 32.500 -0.528 0.000 0.938 29 K HN 0.700 nan 8.250 nan 0.000 0.475 30 I N 0.521 120.935 120.570 -0.260 0.000 4.139 30 I HA 0.409 4.582 4.170 0.005 0.000 0.335 30 I C 0.534 176.583 176.117 -0.113 0.000 1.327 30 I CA -0.387 60.853 61.300 -0.100 0.000 1.112 30 I CB 0.634 38.650 38.000 0.026 0.000 1.058 30 I HN 0.682 nan 8.210 nan 0.000 0.396 31 G N 1.501 110.179 108.800 -0.203 0.000 2.315 31 G HA2 0.232 4.194 3.960 0.005 0.000 0.294 31 G HA3 0.232 4.194 3.960 0.005 0.000 0.294 31 G C -2.062 172.730 174.900 -0.180 0.000 1.300 31 G CA -0.815 44.195 45.100 -0.149 0.000 0.843 31 G HN 0.096 nan 8.290 nan 0.000 0.527 32 K N 0.119 120.443 120.400 -0.128 0.000 2.358 32 K HA 0.617 4.940 4.320 0.005 0.000 0.260 32 K C 0.637 177.164 176.600 -0.120 0.000 0.956 32 K CA -0.198 56.017 56.287 -0.119 0.000 0.834 32 K CB 1.406 33.852 32.500 -0.091 0.000 1.102 32 K HN 0.822 nan 8.250 nan 0.000 0.431 33 G N 0.923 109.644 108.800 -0.131 0.000 2.509 33 G HA2 0.012 3.975 3.960 0.005 0.000 0.269 33 G HA3 0.012 3.975 3.960 0.005 0.000 0.269 33 G C 0.744 175.481 174.900 -0.272 0.000 1.416 33 G CA -0.373 44.626 45.100 -0.167 0.000 1.052 33 G HN 0.617 nan 8.290 nan 0.000 0.542 34 S N -1.058 114.363 115.700 -0.466 0.000 2.351 34 S HA -0.069 4.404 4.470 0.005 0.000 0.220 34 S C 1.266 175.299 174.600 -0.946 0.000 1.035 34 S CA 1.672 59.323 58.200 -0.915 0.000 1.031 34 S CB -0.356 61.901 63.200 -1.571 0.000 0.928 34 S HN 0.433 nan 8.310 nan 0.000 0.433 35 F N -0.194 119.754 119.950 -0.003 0.000 2.791 35 F HA 0.560 5.089 4.527 0.004 0.000 0.316 35 F C 0.674 176.478 175.800 0.006 0.000 1.134 35 F CA -0.426 57.575 58.000 0.002 0.000 1.222 35 F CB 0.508 39.511 39.000 0.005 0.000 1.034 35 F HN 0.225 nan 8.300 nan 0.000 0.516 36 G N -0.089 108.730 108.800 0.033 0.000 3.085 36 G HA2 0.673 4.636 3.960 0.005 0.000 0.264 36 G HA3 0.673 4.636 3.960 0.005 0.000 0.264 36 G C -1.358 173.536 174.900 -0.011 0.000 1.206 36 G CA -0.621 44.504 45.100 0.041 0.000 0.809 36 G HN 0.009 nan 8.290 nan 0.000 0.592 37 E N -0.903 119.298 120.200 0.002 0.000 2.317 37 E HA 0.558 4.911 4.350 0.005 0.000 0.270 37 E C -1.433 175.113 176.600 -0.089 0.000 0.885 37 E CA -0.728 55.620 56.400 -0.087 0.000 0.760 37 E CB 3.045 32.720 29.700 -0.042 0.000 1.227 37 E HN 0.207 nan 8.360 nan 0.000 0.434 38 V N 2.525 122.274 119.914 -0.275 0.000 2.495 38 V HA 0.520 4.643 4.120 0.005 0.000 0.298 38 V C -0.973 174.924 176.094 -0.328 0.000 1.031 38 V CA -0.686 61.530 62.300 -0.140 0.000 0.871 38 V CB 0.638 32.414 31.823 -0.078 0.000 0.988 38 V HN 0.503 nan 8.190 nan 0.000 0.432 39 F N 1.754 121.666 119.950 -0.063 0.000 2.588 39 F HA 0.557 5.087 4.527 0.005 0.000 0.314 39 F C 0.121 175.910 175.800 -0.019 0.000 1.069 39 F CA -1.085 56.885 58.000 -0.050 0.000 0.931 39 F CB 1.941 40.877 39.000 -0.108 0.000 1.260 39 F HN 0.305 nan 8.300 nan 0.000 0.465 40 K N 0.942 121.439 120.400 0.163 0.000 2.298 40 K HA 0.659 4.981 4.320 0.005 0.000 0.280 40 K C -0.154 176.468 176.600 0.038 0.000 1.032 40 K CA -0.091 56.198 56.287 0.003 0.000 0.958 40 K CB 0.677 33.104 32.500 -0.122 0.000 0.978 40 K HN 0.907 nan 8.250 nan 0.000 0.472 41 G N 2.829 111.634 108.800 0.009 0.000 2.725 41 G HA2 0.574 4.537 3.960 0.005 0.000 0.288 41 G HA3 0.574 4.537 3.960 0.005 0.000 0.288 41 G C -1.500 173.448 174.900 0.081 0.000 1.399 41 G CA -0.683 44.463 45.100 0.076 0.000 0.859 41 G HN 0.443 nan 8.290 nan 0.000 0.479 42 I N 0.986 121.642 120.570 0.143 0.000 2.509 42 I HA 0.300 4.473 4.170 0.005 0.000 0.293 42 I C -1.086 175.143 176.117 0.186 0.000 1.020 42 I CA -0.928 60.439 61.300 0.112 0.000 1.088 42 I CB 1.866 39.892 38.000 0.042 0.000 1.267 42 I HN 0.440 nan 8.210 nan 0.000 0.430 43 D N 5.167 125.646 120.400 0.133 0.000 2.325 43 D HA 0.093 4.736 4.640 0.005 0.000 0.251 43 D C 0.808 177.009 176.300 -0.166 0.000 1.196 43 D CA -0.007 53.950 54.000 -0.071 0.000 0.866 43 D CB 0.898 41.694 40.800 -0.008 0.000 1.101 43 D HN 0.305 nan 8.370 nan 0.000 0.476 44 N N 3.533 122.070 118.700 -0.273 0.000 2.309 44 N HA -0.143 4.599 4.740 0.005 0.000 0.182 44 N C 1.617 177.031 175.510 -0.161 0.000 1.018 44 N CA 0.491 53.432 53.050 -0.182 0.000 0.876 44 N CB -0.032 38.341 38.487 -0.190 0.000 0.972 44 N HN 0.556 nan 8.380 nan 0.000 0.434 45 R N 0.595 120.974 120.500 -0.202 0.000 2.057 45 R HA -0.062 4.280 4.340 0.005 0.000 0.229 45 R C 1.944 178.179 176.300 -0.108 0.000 1.136 45 R CA 1.914 57.924 56.100 -0.150 0.000 0.952 45 R CB -0.212 29.988 30.300 -0.166 0.000 0.848 45 R HN 0.328 nan 8.270 nan 0.000 0.430 46 T N -2.644 111.846 114.554 -0.106 0.000 3.051 46 T HA 0.080 4.433 4.350 0.005 0.000 0.255 46 T C 0.591 175.260 174.700 -0.052 0.000 1.085 46 T CA 0.043 62.099 62.100 -0.073 0.000 1.109 46 T CB 0.449 69.272 68.868 -0.074 0.000 0.921 46 T HN 0.245 nan 8.240 nan 0.000 0.488 47 Q N -0.150 119.619 119.800 -0.051 0.000 2.465 47 Q HA -0.117 4.226 4.340 0.005 0.000 0.248 47 Q C -0.471 175.524 176.000 -0.009 0.000 0.819 47 Q CA 0.886 56.672 55.803 -0.028 0.000 1.219 47 Q CB -1.930 26.794 28.738 -0.023 0.000 1.472 47 Q HN 0.671 nan 8.270 nan 0.000 0.630 48 K N 0.166 120.561 120.400 -0.008 0.000 2.185 48 K HA 0.485 4.808 4.320 0.005 0.000 0.271 48 K C 0.334 176.958 176.600 0.040 0.000 1.013 48 K CA -0.394 55.901 56.287 0.014 0.000 0.943 48 K CB 1.180 33.680 32.500 -0.001 0.000 0.998 48 K HN -0.127 nan 8.250 nan 0.000 0.468 49 V N 3.267 123.207 119.914 0.044 0.000 2.649 49 V HA 0.194 4.317 4.120 0.005 0.000 0.292 49 V C 0.136 176.292 176.094 0.103 0.000 1.055 49 V CA -0.336 61.968 62.300 0.008 0.000 1.023 49 V CB 1.078 32.836 31.823 -0.109 0.000 0.992 49 V HN 0.601 nan 8.190 nan 0.000 0.480 50 V N 1.491 121.472 119.914 0.112 0.000 3.160 50 V HA 1.014 5.137 4.120 0.005 0.000 0.310 50 V C -0.253 175.959 176.094 0.197 0.000 1.181 50 V CA -1.066 61.371 62.300 0.228 0.000 1.047 50 V CB 1.874 33.849 31.823 0.254 0.000 1.068 50 V HN 1.034 nan 8.190 nan 0.000 0.441 51 A N 1.821 124.794 122.820 0.255 0.000 2.304 51 A HA 0.895 5.218 4.320 0.005 0.000 0.323 51 A C -0.591 177.074 177.584 0.135 0.000 1.195 51 A CA -0.608 51.566 52.037 0.227 0.000 0.826 51 A CB 0.434 19.580 19.000 0.243 0.000 1.184 51 A HN 0.871 nan 8.150 nan 0.000 0.496 52 I N 2.272 122.904 120.570 0.104 0.000 2.382 52 I HA 0.285 4.458 4.170 0.005 0.000 0.285 52 I C 0.044 176.187 176.117 0.043 0.000 1.007 52 I CA -0.363 60.950 61.300 0.022 0.000 1.142 52 I CB 1.694 39.632 38.000 -0.104 0.000 1.289 52 I HN 0.669 nan 8.210 nan 0.000 0.453 53 K N 7.507 127.929 120.400 0.037 0.000 2.248 53 K HA 0.588 4.911 4.320 0.005 0.000 0.281 53 K C -0.988 175.595 176.600 -0.029 0.000 1.054 53 K CA -0.333 55.973 56.287 0.032 0.000 0.903 53 K CB 0.857 33.382 32.500 0.042 0.000 1.077 53 K HN 0.556 nan 8.250 nan 0.000 0.474 54 I N 6.581 127.115 120.570 -0.060 0.000 2.355 54 I HA 0.317 4.490 4.170 0.005 0.000 0.288 54 I C -0.441 175.673 176.117 -0.004 0.000 0.999 54 I CA -0.761 60.441 61.300 -0.164 0.000 1.163 54 I CB 1.361 39.086 38.000 -0.458 0.000 1.316 54 I HN 0.502 nan 8.210 nan 0.000 0.454 55 I N 5.163 125.765 120.570 0.053 0.000 2.404 55 I HA 0.235 4.408 4.170 0.005 0.000 0.293 55 I C -0.211 175.970 176.117 0.106 0.000 0.992 55 I CA -0.513 60.847 61.300 0.099 0.000 1.149 55 I CB 1.771 39.850 38.000 0.133 0.000 1.315 55 I HN 0.494 nan 8.210 nan 0.000 0.446 56 D N 6.809 127.267 120.400 0.097 0.000 2.380 56 D HA 0.205 4.848 4.640 0.005 0.000 0.230 56 D C 0.866 177.213 176.300 0.077 0.000 1.154 56 D CA -0.098 53.955 54.000 0.089 0.000 0.859 56 D CB 1.283 42.129 40.800 0.076 0.000 1.045 56 D HN 0.481 nan 8.370 nan 0.000 0.495 57 L N 2.819 124.088 121.223 0.077 0.000 2.291 57 L HA -0.036 4.306 4.340 0.005 0.000 0.214 57 L C 2.167 179.059 176.870 0.037 0.000 1.120 57 L CA 0.578 55.451 54.840 0.055 0.000 0.799 57 L CB -0.040 42.056 42.059 0.061 0.000 0.925 57 L HN 0.478 nan 8.230 nan 0.000 0.446 58 E N 0.524 120.749 120.200 0.043 0.000 2.216 58 E HA -0.157 4.196 4.350 0.005 0.000 0.192 58 E C 1.204 177.819 176.600 0.025 0.000 0.988 58 E CA 0.551 56.970 56.400 0.032 0.000 0.834 58 E CB 0.317 30.040 29.700 0.038 0.000 0.772 58 E HN 0.466 nan 8.360 nan 0.000 0.479 59 E N -0.298 119.921 120.200 0.032 0.000 2.419 59 E HA 0.222 4.575 4.350 0.005 0.000 0.190 59 E C -0.790 175.819 176.600 0.014 0.000 1.040 59 E CA -0.363 56.054 56.400 0.028 0.000 0.900 59 E CB 1.094 30.820 29.700 0.043 0.000 1.054 59 E HN 0.099 nan 8.360 nan 0.000 0.462 60 A N 0.238 123.055 122.820 -0.005 0.000 2.539 60 A HA 0.516 4.838 4.320 0.005 0.000 0.296 60 A C -0.236 177.309 177.584 -0.065 0.000 1.073 60 A CA -0.680 51.326 52.037 -0.052 0.000 0.700 60 A CB 1.534 20.498 19.000 -0.060 0.000 1.296 60 A HN -0.031 nan 8.150 nan 0.000 0.405 61 E N 0.016 120.152 120.200 -0.105 0.000 3.161 61 E HA 0.076 4.429 4.350 0.005 0.000 0.197 61 E C 0.294 176.826 176.600 -0.113 0.000 1.204 61 E CA 0.109 56.458 56.400 -0.085 0.000 1.180 61 E CB -0.355 29.307 29.700 -0.064 0.000 2.346 61 E HN 0.666 nan 8.360 nan 0.000 0.537 62 D N 1.391 121.710 120.400 -0.135 0.000 2.218 62 D HA -0.125 4.518 4.640 0.005 0.000 0.204 62 D C 1.411 177.588 176.300 -0.205 0.000 0.976 62 D CA 0.876 54.792 54.000 -0.139 0.000 0.853 62 D CB 0.215 40.941 40.800 -0.124 0.000 0.939 62 D HN 0.144 nan 8.370 nan 0.000 0.481 63 E N 0.512 120.498 120.200 -0.356 0.000 2.150 63 E HA -0.079 4.274 4.350 0.005 0.000 0.193 63 E C 2.230 178.684 176.600 -0.243 0.000 0.985 63 E CA 0.187 56.248 56.400 -0.565 0.000 0.814 63 E CB -0.315 28.652 29.700 -1.220 0.000 0.752 63 E HN 0.380 nan 8.360 nan 0.000 0.466 64 I N 1.047 121.527 120.570 -0.150 0.000 2.151 64 I HA -0.340 3.833 4.170 0.005 0.000 0.243 64 I C 1.908 178.006 176.117 -0.032 0.000 1.080 64 I CA 1.523 62.789 61.300 -0.055 0.000 1.339 64 I CB -0.317 37.661 38.000 -0.035 0.000 1.039 64 I HN 0.058 nan 8.210 nan 0.000 0.409 65 E N 0.936 121.110 120.200 -0.043 0.000 2.085 65 E HA -0.221 4.132 4.350 0.005 0.000 0.194 65 E C 1.834 178.431 176.600 -0.006 0.000 0.994 65 E CA 1.470 57.857 56.400 -0.022 0.000 0.801 65 E CB -0.272 29.413 29.700 -0.025 0.000 0.743 65 E HN 0.481 nan 8.360 nan 0.000 0.453 66 D N 0.131 120.528 120.400 -0.006 0.000 2.144 66 D HA -0.097 4.546 4.640 0.005 0.000 0.200 66 D C 2.076 178.422 176.300 0.077 0.000 0.978 66 D CA 0.799 54.825 54.000 0.044 0.000 0.833 66 D CB -0.087 40.761 40.800 0.079 0.000 0.961 66 D HN 0.216 nan 8.370 nan 0.000 0.470 67 I N 0.973 121.595 120.570 0.086 0.000 2.142 67 I HA -0.299 3.874 4.170 0.005 0.000 0.240 67 I C 2.770 178.901 176.117 0.023 0.000 1.078 67 I CA 1.084 62.443 61.300 0.097 0.000 1.343 67 I CB -0.350 37.718 38.000 0.114 0.000 1.046 67 I HN -0.033 nan 8.210 nan 0.000 0.405 68 Q N 0.710 120.516 119.800 0.010 0.000 2.112 68 Q HA -0.328 4.015 4.340 0.005 0.000 0.206 68 Q C 2.216 178.201 176.000 -0.026 0.000 0.987 68 Q CA 2.179 57.974 55.803 -0.013 0.000 0.858 68 Q CB -0.076 28.660 28.738 -0.004 0.000 0.905 68 Q HN 0.354 nan 8.270 nan 0.000 0.420 69 Q N 0.634 120.430 119.800 -0.008 0.000 2.119 69 Q HA -0.202 4.141 4.340 0.005 0.000 0.201 69 Q C 1.659 177.649 176.000 -0.016 0.000 0.972 69 Q CA 2.083 57.882 55.803 -0.007 0.000 0.847 69 Q CB -0.122 28.622 28.738 0.010 0.000 0.903 69 Q HN 0.567 nan 8.270 nan 0.000 0.433 70 E N -0.401 119.793 120.200 -0.010 0.000 2.047 70 E HA -0.164 4.189 4.350 0.005 0.000 0.191 70 E C 1.915 178.450 176.600 -0.108 0.000 0.987 70 E CA 1.265 57.656 56.400 -0.014 0.000 0.799 70 E CB -0.260 29.450 29.700 0.016 0.000 0.752 70 E HN 0.518 nan 8.360 nan 0.000 0.449 71 I N 0.943 121.409 120.570 -0.174 0.000 2.226 71 I HA -0.256 3.917 4.170 0.005 0.000 0.245 71 I C 2.363 178.291 176.117 -0.314 0.000 1.100 71 I CA 1.505 62.577 61.300 -0.380 0.000 1.374 71 I CB -0.289 37.469 38.000 -0.404 0.000 1.057 71 I HN 0.226 nan 8.210 nan 0.000 0.413 72 T N 0.297 114.755 114.554 -0.160 0.000 2.746 72 T HA -0.143 4.209 4.350 0.005 0.000 0.267 72 T C 1.993 176.641 174.700 -0.087 0.000 1.039 72 T CA 1.350 63.393 62.100 -0.095 0.000 1.142 72 T CB -0.328 68.514 68.868 -0.043 0.000 0.866 72 T HN 0.108 nan 8.240 nan 0.000 0.444 73 V N 1.562 121.429 119.914 -0.079 0.000 2.295 73 V HA -0.138 3.985 4.120 0.005 0.000 0.246 73 V C 2.525 178.513 176.094 -0.178 0.000 1.049 73 V CA 1.474 63.731 62.300 -0.071 0.000 1.024 73 V CB -0.742 31.086 31.823 0.008 0.000 0.648 73 V HN 0.433 nan 8.190 nan 0.000 0.447 74 L N 0.867 121.932 121.223 -0.264 0.000 2.013 74 L HA -0.225 4.117 4.340 0.005 0.000 0.212 74 L C 2.784 179.555 176.870 -0.165 0.000 1.073 74 L CA 2.124 56.766 54.840 -0.330 0.000 0.753 74 L CB -0.845 41.017 42.059 -0.328 0.000 0.890 74 L HN 0.597 nan 8.230 nan 0.000 0.432 75 S N -0.539 115.097 115.700 -0.106 0.000 2.400 75 S HA -0.268 4.205 4.470 0.005 0.000 0.232 75 S C 1.715 176.339 174.600 0.039 0.000 1.025 75 S CA 1.246 59.485 58.200 0.065 0.000 0.993 75 S CB -0.453 62.811 63.200 0.106 0.000 0.808 75 S HN 0.555 nan 8.310 nan 0.000 0.478 76 Q N -0.128 119.674 119.800 0.004 0.000 2.451 76 Q HA 0.232 4.574 4.340 0.005 0.000 0.206 76 Q C 0.061 176.103 176.000 0.070 0.000 0.947 76 Q CA 0.016 55.839 55.803 0.034 0.000 0.937 76 Q CB -0.122 28.631 28.738 0.026 0.000 1.025 76 Q HN 0.516 nan 8.270 nan 0.000 0.511 77 C N 1.471 120.793 119.300 0.036 0.000 2.388 77 C HA 0.353 4.816 4.460 0.005 0.000 0.362 77 C C 0.112 175.119 174.990 0.028 0.000 1.266 77 C CA -0.804 58.284 59.018 0.116 0.000 2.028 77 C CB 0.487 28.223 27.740 -0.007 0.000 2.440 77 C HN 0.274 nan 8.230 nan 0.000 0.547 78 D N 1.608 122.025 120.400 0.029 0.000 2.364 78 D HA 0.400 5.043 4.640 0.005 0.000 0.251 78 D C -0.785 175.289 176.300 -0.376 0.000 1.282 78 D CA 0.386 54.322 54.000 -0.107 0.000 0.927 78 D CB 0.833 41.642 40.800 0.015 0.000 1.267 78 D HN 0.576 nan 8.370 nan 0.000 0.531 79 S N 2.565 117.958 115.700 -0.512 0.000 2.541 79 S HA 0.553 5.026 4.470 0.005 0.000 0.271 79 S C -2.282 172.047 174.600 -0.451 0.000 1.133 79 S CA -1.193 56.631 58.200 -0.628 0.000 0.876 79 S CB 1.911 64.420 63.200 -1.152 0.000 1.105 79 S HN 0.103 nan 8.310 nan 0.000 0.470 80 P HA 0.054 nan 4.420 nan 0.000 0.233 80 P C 0.150 177.008 177.300 -0.736 0.000 1.167 80 P CA 0.751 63.485 63.100 -0.610 0.000 0.770 80 P CB -0.179 31.098 31.700 -0.704 0.000 0.837 81 Y N -1.008 119.227 120.300 -0.107 0.000 2.458 81 Y HA 0.211 4.763 4.550 0.005 0.000 0.256 81 Y C 1.000 176.889 175.900 -0.017 0.000 1.159 81 Y CA -0.362 57.709 58.100 -0.048 0.000 1.261 81 Y CB 0.144 38.592 38.460 -0.020 0.000 1.119 81 Y HN -0.301 nan 8.280 nan 0.000 0.524 82 V N 0.725 120.612 119.914 -0.044 0.000 2.531 82 V HA 0.225 4.348 4.120 0.005 0.000 0.301 82 V C 0.062 176.124 176.094 -0.055 0.000 1.034 82 V CA -1.494 60.819 62.300 0.022 0.000 0.865 82 V CB 1.661 33.464 31.823 -0.033 0.000 0.995 82 V HN 0.322 nan 8.190 nan 0.000 0.424 83 T N 2.629 117.189 114.554 0.008 0.000 2.800 83 T HA 0.071 4.424 4.350 0.005 0.000 0.283 83 T C 0.072 174.694 174.700 -0.131 0.000 0.999 83 T CA -0.313 61.763 62.100 -0.041 0.000 1.176 83 T CB 0.018 68.891 68.868 0.008 0.000 0.973 83 T HN 0.456 nan 8.240 nan 0.000 0.519 84 K N 2.728 123.015 120.400 -0.189 0.000 2.202 84 K HA 0.205 4.528 4.320 0.005 0.000 0.264 84 K C -0.416 175.940 176.600 -0.406 0.000 1.010 84 K CA -0.394 55.703 56.287 -0.317 0.000 0.940 84 K CB 0.798 33.040 32.500 -0.431 0.000 0.983 84 K HN 0.876 nan 8.250 nan 0.000 0.475 85 Y N 0.651 120.663 120.300 -0.479 0.000 2.364 85 Y HA 0.195 4.748 4.550 0.005 0.000 0.340 85 Y C -0.230 175.451 175.900 -0.365 0.000 0.975 85 Y CA -0.496 57.386 58.100 -0.364 0.000 1.089 85 Y CB 0.930 39.281 38.460 -0.183 0.000 1.192 85 Y HN 0.590 nan 8.280 nan 0.000 0.454 86 Y N 4.136 124.191 120.300 -0.409 0.000 2.467 86 Y HA 0.495 5.048 4.550 0.005 0.000 0.250 86 Y C 0.956 176.497 175.900 -0.599 0.000 1.155 86 Y CA 0.010 57.883 58.100 -0.379 0.000 1.249 86 Y CB 1.154 39.569 38.460 -0.075 0.000 1.146 86 Y HN 0.914 nan 8.280 nan 0.000 0.524 87 G N -0.162 107.939 108.800 -1.164 0.000 2.357 87 G HA2 0.144 4.106 3.960 0.005 0.000 0.643 87 G HA3 0.144 4.106 3.960 0.005 0.000 0.643 87 G C -1.280 173.455 174.900 -0.276 0.000 1.358 87 G CA -0.947 43.711 45.100 -0.737 0.000 0.986 87 G HN -0.063 nan 8.290 nan 0.000 0.620 88 S N -0.671 114.926 115.700 -0.172 0.000 2.570 88 S HA 0.888 5.361 4.470 0.005 0.000 0.286 88 S C -1.414 173.053 174.600 -0.222 0.000 1.099 88 S CA -0.595 57.627 58.200 0.036 0.000 0.913 88 S CB 1.774 65.099 63.200 0.209 0.000 1.085 88 S HN 0.650 nan 8.310 nan 0.000 0.480 89 Y N 0.567 120.953 120.300 0.145 0.000 2.545 89 Y HA 0.672 5.225 4.550 0.005 0.000 0.348 89 Y C -0.820 175.125 175.900 0.075 0.000 1.002 89 Y CA -1.120 57.021 58.100 0.069 0.000 1.039 89 Y CB 1.197 39.648 38.460 -0.015 0.000 1.271 89 Y HN 0.414 nan 8.280 nan 0.000 0.467 90 L N 3.075 124.408 121.223 0.184 0.000 2.341 90 L HA 0.644 4.987 4.340 0.005 0.000 0.278 90 L C -1.182 175.719 176.870 0.052 0.000 1.005 90 L CA -1.108 53.809 54.840 0.128 0.000 0.818 90 L CB 1.329 43.446 42.059 0.096 0.000 1.259 90 L HN 0.667 nan 8.230 nan 0.000 0.418 91 K N 4.230 124.661 120.400 0.051 0.000 2.637 91 K HA 0.486 4.809 4.320 0.005 0.000 0.248 91 K C -0.169 176.473 176.600 0.070 0.000 0.971 91 K CA -0.249 56.036 56.287 -0.003 0.000 0.858 91 K CB 0.686 33.113 32.500 -0.121 0.000 1.170 91 K HN 0.742 nan 8.250 nan 0.000 0.443 92 D N 1.040 121.469 120.400 0.049 0.000 3.740 92 D HA -0.305 4.338 4.640 0.005 0.000 0.147 92 D C 0.553 176.898 176.300 0.075 0.000 0.885 92 D CA 2.725 56.759 54.000 0.057 0.000 1.051 92 D CB -0.973 39.863 40.800 0.059 0.000 0.480 92 D HN 0.687 nan 8.370 nan 0.000 0.469 93 T N -1.663 112.943 114.554 0.086 0.000 3.086 93 T HA 0.131 4.484 4.350 0.005 0.000 0.250 93 T C 0.611 175.381 174.700 0.117 0.000 1.074 93 T CA 0.018 62.171 62.100 0.088 0.000 0.988 93 T CB 0.364 69.274 68.868 0.069 0.000 0.988 93 T HN 0.097 nan 8.240 nan 0.000 0.530 94 K N 1.764 122.263 120.400 0.165 0.000 2.183 94 K HA 0.448 4.771 4.320 0.005 0.000 0.274 94 K C -0.917 175.869 176.600 0.309 0.000 1.009 94 K CA -0.878 55.545 56.287 0.226 0.000 0.888 94 K CB 2.142 34.819 32.500 0.294 0.000 1.078 94 K HN 0.171 nan 8.250 nan 0.000 0.459 95 L N 3.534 124.915 121.223 0.262 0.000 2.264 95 L HA 0.334 4.677 4.340 0.005 0.000 0.289 95 L C -1.368 175.729 176.870 0.379 0.000 1.044 95 L CA -0.270 54.745 54.840 0.292 0.000 0.807 95 L CB 0.286 42.457 42.059 0.187 0.000 1.192 95 L HN 0.413 nan 8.230 nan 0.000 0.425 96 W N 7.023 128.393 121.300 0.117 0.000 2.308 96 W HA 0.489 5.152 4.660 0.006 0.000 0.311 96 W C -0.354 176.246 176.519 0.136 0.000 1.088 96 W CA -0.568 56.838 57.345 0.101 0.000 1.309 96 W CB 0.467 29.970 29.460 0.072 0.000 1.229 96 W HN 0.316 nan 8.180 nan 0.000 0.427 97 I N 6.200 126.932 120.570 0.270 0.000 2.321 97 I HA 0.227 4.400 4.170 0.005 0.000 0.291 97 I C -0.161 176.081 176.117 0.209 0.000 0.998 97 I CA -0.930 60.529 61.300 0.266 0.000 1.227 97 I CB 0.764 38.887 38.000 0.205 0.000 1.368 97 I HN 0.028 nan 8.210 nan 0.000 0.466 98 I N 7.174 127.872 120.570 0.212 0.000 2.304 98 I HA 0.387 4.560 4.170 0.005 0.000 0.291 98 I C 0.113 176.344 176.117 0.189 0.000 1.018 98 I CA -0.117 61.263 61.300 0.134 0.000 1.260 98 I CB 0.701 38.759 38.000 0.096 0.000 1.390 98 I HN 0.507 nan 8.210 nan 0.000 0.475 99 M N 3.891 123.596 119.600 0.176 0.000 2.761 99 M HA 0.398 4.881 4.480 0.005 0.000 0.305 99 M C 0.076 176.471 176.300 0.158 0.000 1.235 99 M CA -0.814 54.533 55.300 0.079 0.000 0.850 99 M CB 1.753 34.401 32.600 0.080 0.000 1.744 99 M HN 0.472 nan 8.290 nan 0.000 0.480 100 E N 0.884 121.095 120.200 0.018 0.000 2.360 100 E HA 0.062 4.415 4.350 0.005 0.000 0.269 100 E C -1.712 175.015 176.600 0.212 0.000 1.022 100 E CA -0.051 56.462 56.400 0.187 0.000 0.887 100 E CB 0.747 30.474 29.700 0.044 0.000 0.990 100 E HN 0.469 nan 8.360 nan 0.000 0.426 101 Y N 5.043 125.427 120.300 0.140 0.000 2.308 101 Y HA 0.410 4.963 4.550 0.004 0.000 0.329 101 Y C -1.149 174.796 175.900 0.076 0.000 1.111 101 Y CA -0.606 57.552 58.100 0.098 0.000 1.179 101 Y CB 0.658 39.181 38.460 0.105 0.000 1.201 101 Y HN 0.445 nan 8.280 nan 0.000 0.483 102 L N 6.275 127.126 121.223 -0.620 0.000 2.457 102 L HA 0.374 4.717 4.340 0.005 0.000 0.266 102 L C 0.631 177.042 176.870 -0.766 0.000 0.979 102 L CA -0.437 54.110 54.840 -0.489 0.000 0.857 102 L CB 1.963 43.893 42.059 -0.215 0.000 1.213 102 L HN 0.975 nan 8.230 nan 0.000 0.418 103 G N 0.915 109.262 108.800 -0.756 0.000 3.189 103 G HA2 0.083 4.046 3.960 0.005 0.000 0.225 103 G HA3 0.083 4.046 3.960 0.005 0.000 0.225 103 G C 1.135 175.948 174.900 -0.146 0.000 1.159 103 G CA 0.564 45.381 45.100 -0.473 0.000 0.763 103 G HN 0.764 nan 8.290 nan 0.000 0.549 104 G N -0.175 108.541 108.800 -0.139 0.000 2.572 104 G HA2 0.422 4.385 3.960 0.005 0.000 0.216 104 G HA3 0.422 4.385 3.960 0.005 0.000 0.216 104 G C 0.948 175.813 174.900 -0.058 0.000 1.133 104 G CA 0.623 45.686 45.100 -0.062 0.000 0.791 104 G HN 1.275 nan 8.290 nan 0.000 0.538 105 G N -0.752 107.985 108.800 -0.105 0.000 2.661 105 G HA2 0.243 4.206 3.960 0.005 0.000 0.685 105 G HA3 0.243 4.206 3.960 0.005 0.000 0.685 105 G C 0.056 174.838 174.900 -0.198 0.000 1.298 105 G CA -0.043 44.957 45.100 -0.166 0.000 0.855 105 G HN 1.298 nan 8.290 nan 0.000 0.560 106 S N -0.212 115.353 115.700 -0.225 0.000 2.669 106 S HA 0.758 5.231 4.470 0.005 0.000 0.270 106 S C 1.826 176.299 174.600 -0.213 0.000 1.225 106 S CA 0.555 58.642 58.200 -0.187 0.000 0.991 106 S CB 1.642 64.742 63.200 -0.167 0.000 0.987 106 S HN 2.367 nan 8.310 nan 0.000 0.552 107 A N 0.434 123.155 122.820 -0.164 0.000 1.933 107 A HA -0.015 4.308 4.320 0.005 0.000 0.218 107 A C 2.012 179.492 177.584 -0.173 0.000 1.175 107 A CA 1.450 53.396 52.037 -0.151 0.000 0.628 107 A CB -1.034 17.899 19.000 -0.112 0.000 0.814 107 A HN 0.885 nan 8.150 nan 0.000 0.444 108 L N 0.104 121.227 121.223 -0.168 0.000 2.046 108 L HA -0.161 4.182 4.340 0.005 0.000 0.208 108 L C 1.607 178.346 176.870 -0.218 0.000 1.077 108 L CA 2.380 57.129 54.840 -0.152 0.000 0.747 108 L CB -0.615 41.371 42.059 -0.121 0.000 0.896 108 L HN 0.328 nan 8.230 nan 0.000 0.432 109 D N -0.332 119.880 120.400 -0.313 0.000 2.123 109 D HA -0.182 4.461 4.640 0.005 0.000 0.196 109 D C 2.168 178.060 176.300 -0.681 0.000 0.992 109 D CA 1.643 55.319 54.000 -0.540 0.000 0.833 109 D CB -0.218 40.079 40.800 -0.839 0.000 0.954 109 D HN 0.389 nan 8.370 nan 0.000 0.455 110 L N 0.135 121.043 121.223 -0.524 0.000 2.551 110 L HA -0.002 4.341 4.340 0.005 0.000 0.228 110 L C 2.135 178.867 176.870 -0.229 0.000 1.153 110 L CA 0.094 54.722 54.840 -0.353 0.000 0.851 110 L CB -0.124 41.800 42.059 -0.225 0.000 0.959 110 L HN -0.010 nan 8.230 nan 0.000 0.451 111 L N -0.789 120.296 121.223 -0.229 0.000 2.446 111 L HA -0.027 4.316 4.340 0.005 0.000 0.219 111 L C 2.464 179.183 176.870 -0.251 0.000 1.116 111 L CA 0.313 55.042 54.840 -0.183 0.000 0.844 111 L CB -0.167 41.810 42.059 -0.138 0.000 0.970 111 L HN 0.205 nan 8.230 nan 0.000 0.457 112 E N 0.482 120.471 120.200 -0.351 0.000 2.130 112 E HA -0.217 4.136 4.350 0.005 0.000 0.196 112 E C -0.560 175.510 176.600 -0.883 0.000 0.998 112 E CA 1.379 57.437 56.400 -0.570 0.000 0.806 112 E CB -1.055 28.232 29.700 -0.689 0.000 0.738 112 E HN 0.481 nan 8.360 nan 0.000 0.459 113 P HA 0.072 nan 4.420 nan 0.000 0.241 113 P C 0.152 177.287 177.300 -0.275 0.000 1.191 113 P CA 0.847 63.467 63.100 -0.799 0.000 0.771 113 P CB 0.553 31.956 31.700 -0.496 0.000 0.929 114 G N -1.603 107.070 108.800 -0.211 0.000 2.343 114 G HA2 0.182 4.144 3.960 0.005 0.000 0.289 114 G HA3 0.182 4.144 3.960 0.005 0.000 0.289 114 G C -3.365 171.487 174.900 -0.080 0.000 1.295 114 G CA -0.862 44.178 45.100 -0.100 0.000 0.869 114 G HN -0.345 nan 8.290 nan 0.000 0.522 115 P HA 0.515 nan 4.420 nan 0.000 0.274 115 P C -0.098 177.190 177.300 -0.019 0.000 1.237 115 P CA -0.386 62.701 63.100 -0.022 0.000 0.793 115 P CB 0.599 32.301 31.700 0.005 0.000 0.977 116 L N 1.360 122.579 121.223 -0.006 0.000 2.360 116 L HA 0.388 4.731 4.340 0.005 0.000 0.271 116 L C 0.711 177.597 176.870 0.027 0.000 1.057 116 L CA -0.806 54.033 54.840 -0.002 0.000 0.803 116 L CB 0.881 42.935 42.059 -0.009 0.000 1.207 116 L HN 0.459 nan 8.230 nan 0.000 0.445 117 D N -0.704 119.709 120.400 0.022 0.000 2.423 117 D HA 0.078 4.721 4.640 0.005 0.000 0.255 117 D C 0.533 176.876 176.300 0.072 0.000 1.174 117 D CA -0.520 53.504 54.000 0.039 0.000 1.008 117 D CB 0.703 41.510 40.800 0.012 0.000 1.101 117 D HN 0.479 nan 8.370 nan 0.000 0.516 118 E N -0.922 119.342 120.200 0.107 0.000 2.204 118 E HA -0.120 4.233 4.350 0.005 0.000 0.194 118 E C 1.547 178.209 176.600 0.103 0.000 0.989 118 E CA 1.173 57.690 56.400 0.195 0.000 0.824 118 E CB -0.141 29.727 29.700 0.280 0.000 0.756 118 E HN 0.525 nan 8.360 nan 0.000 0.477 119 T N 1.213 115.774 114.554 0.011 0.000 2.857 119 T HA -0.138 4.215 4.350 0.005 0.000 0.266 119 T C 1.827 176.507 174.700 -0.033 0.000 1.048 119 T CA 0.964 63.031 62.100 -0.055 0.000 1.139 119 T CB -0.055 68.772 68.868 -0.069 0.000 0.874 119 T HN 0.194 nan 8.240 nan 0.000 0.455 120 Q N 0.287 120.086 119.800 -0.001 0.000 2.046 120 Q HA 0.016 4.359 4.340 0.005 0.000 0.200 120 Q C 2.349 178.353 176.000 0.006 0.000 0.975 120 Q CA 1.166 56.972 55.803 0.005 0.000 0.836 120 Q CB -0.354 28.387 28.738 0.005 0.000 0.896 120 Q HN 0.490 nan 8.270 nan 0.000 0.428 121 I N 0.879 121.472 120.570 0.038 0.000 2.127 121 I HA -0.312 3.861 4.170 0.005 0.000 0.241 121 I C 2.483 178.637 176.117 0.062 0.000 1.075 121 I CA 1.182 62.514 61.300 0.055 0.000 1.334 121 I CB -0.451 37.610 38.000 0.101 0.000 1.040 121 I HN 0.170 nan 8.210 nan 0.000 0.405 122 A N 0.123 122.970 122.820 0.045 0.000 1.908 122 A HA -0.220 4.103 4.320 0.005 0.000 0.218 122 A C 2.388 179.878 177.584 -0.156 0.000 1.181 122 A CA 2.529 54.435 52.037 -0.218 0.000 0.627 122 A CB -1.172 17.372 19.000 -0.760 0.000 0.818 122 A HN 0.411 nan 8.150 nan 0.000 0.445 123 T N 0.189 114.686 114.554 -0.095 0.000 2.746 123 T HA -0.095 4.258 4.350 0.005 0.000 0.267 123 T C 1.782 176.460 174.700 -0.037 0.000 1.039 123 T CA 1.605 63.675 62.100 -0.051 0.000 1.142 123 T CB -0.373 68.494 68.868 -0.002 0.000 0.866 123 T HN 0.433 nan 8.240 nan 0.000 0.444 124 I N 0.444 120.996 120.570 -0.031 0.000 2.286 124 I HA -0.066 4.107 4.170 0.005 0.000 0.245 124 I C 2.215 178.311 176.117 -0.036 0.000 1.104 124 I CA 0.937 62.220 61.300 -0.027 0.000 1.397 124 I CB -0.311 37.671 38.000 -0.030 0.000 1.072 124 I HN 0.177 nan 8.210 nan 0.000 0.417 125 L N 0.297 121.492 121.223 -0.047 0.000 2.042 125 L HA -0.236 4.107 4.340 0.005 0.000 0.210 125 L C 2.773 179.624 176.870 -0.033 0.000 1.076 125 L CA 1.357 56.169 54.840 -0.047 0.000 0.749 125 L CB -0.605 41.376 42.059 -0.129 0.000 0.893 125 L HN 0.242 nan 8.230 nan 0.000 0.432 126 R N 0.096 120.560 120.500 -0.060 0.000 2.081 126 R HA -0.171 4.172 4.340 0.005 0.000 0.235 126 R C 2.169 178.416 176.300 -0.087 0.000 1.131 126 R CA 1.437 57.502 56.100 -0.058 0.000 0.960 126 R CB 0.015 30.270 30.300 -0.074 0.000 0.856 126 R HN 0.337 nan 8.270 nan 0.000 0.436 127 E N 0.475 120.631 120.200 -0.073 0.000 2.107 127 E HA -0.151 4.202 4.350 0.005 0.000 0.191 127 E C 2.097 178.640 176.600 -0.095 0.000 0.982 127 E CA 0.923 57.267 56.400 -0.093 0.000 0.809 127 E CB -0.136 29.579 29.700 0.024 0.000 0.756 127 E HN 0.473 nan 8.360 nan 0.000 0.459 128 I N 0.965 121.506 120.570 -0.048 0.000 2.286 128 I HA -0.255 3.918 4.170 0.005 0.000 0.248 128 I C 2.443 178.526 176.117 -0.058 0.000 1.115 128 I CA 0.806 62.083 61.300 -0.040 0.000 1.392 128 I CB -0.187 37.793 38.000 -0.035 0.000 1.065 128 I HN 0.041 nan 8.210 nan 0.000 0.418 129 L N 0.319 121.511 121.223 -0.052 0.000 2.093 129 L HA -0.213 4.130 4.340 0.005 0.000 0.208 129 L C 2.506 179.306 176.870 -0.116 0.000 1.085 129 L CA 1.416 56.232 54.840 -0.040 0.000 0.755 129 L CB -0.362 41.710 42.059 0.022 0.000 0.904 129 L HN 0.163 nan 8.230 nan 0.000 0.435 130 K N -0.355 119.896 120.400 -0.250 0.000 2.057 130 K HA -0.107 4.216 4.320 0.005 0.000 0.206 130 K C 2.086 178.535 176.600 -0.252 0.000 1.050 130 K CA 1.266 57.292 56.287 -0.436 0.000 0.935 130 K CB -0.440 31.383 32.500 -1.128 0.000 0.715 130 K HN 0.365 nan 8.250 nan 0.000 0.439 131 G N 0.992 109.719 108.800 -0.120 0.000 2.422 131 G HA2 -0.216 3.747 3.960 0.005 0.000 0.218 131 G HA3 -0.216 3.747 3.960 0.005 0.000 0.218 131 G C 1.431 176.397 174.900 0.110 0.000 1.146 131 G CA 0.534 45.730 45.100 0.159 0.000 0.769 131 G HN 0.103 nan 8.290 nan 0.000 0.547 132 L N 0.182 121.368 121.223 -0.061 0.000 2.141 132 L HA -0.022 4.321 4.340 0.005 0.000 0.209 132 L C 2.499 179.136 176.870 -0.387 0.000 1.094 132 L CA 1.243 55.899 54.840 -0.307 0.000 0.763 132 L CB -0.265 41.589 42.059 -0.341 0.000 0.908 132 L HN 0.195 nan 8.230 nan 0.000 0.437 133 D N -0.585 119.736 120.400 -0.132 0.000 2.117 133 D HA -0.278 4.365 4.640 0.005 0.000 0.198 133 D C 2.067 178.391 176.300 0.040 0.000 0.982 133 D CA 1.236 55.217 54.000 -0.031 0.000 0.828 133 D CB -0.069 40.734 40.800 0.006 0.000 0.967 133 D HN 0.302 nan 8.370 nan 0.000 0.464 134 Y N 0.724 121.031 120.300 0.012 0.000 2.145 134 Y HA -0.133 4.420 4.550 0.005 0.000 0.286 134 Y C 1.983 177.935 175.900 0.087 0.000 1.145 134 Y CA 1.584 59.731 58.100 0.078 0.000 1.148 134 Y CB -0.382 38.164 38.460 0.143 0.000 0.981 134 Y HN 0.013 nan 8.280 nan 0.000 0.507 135 L N -0.658 120.609 121.223 0.073 0.000 2.046 135 L HA -0.266 4.077 4.340 0.005 0.000 0.208 135 L C 2.422 179.346 176.870 0.090 0.000 1.077 135 L CA 1.888 56.764 54.840 0.060 0.000 0.747 135 L CB -0.813 41.407 42.059 0.268 0.000 0.896 135 L HN 0.366 nan 8.230 nan 0.000 0.432 136 H N -1.148 117.940 119.070 0.030 0.000 2.423 136 H HA -0.113 4.446 4.556 0.005 0.000 0.297 136 H C 2.491 177.807 175.328 -0.020 0.000 1.075 136 H CA 1.009 57.072 56.048 0.025 0.000 1.342 136 H CB 0.136 29.928 29.762 0.050 0.000 1.395 136 H HN 0.413 nan 8.280 nan 0.000 0.530 137 S N 0.531 116.259 115.700 0.045 0.000 2.481 137 S HA -0.071 4.402 4.470 0.005 0.000 0.231 137 S C 1.440 175.990 174.600 -0.082 0.000 0.996 137 S CA 0.688 58.876 58.200 -0.020 0.000 0.942 137 S CB 0.212 63.386 63.200 -0.044 0.000 0.768 137 S HN 0.322 nan 8.310 nan 0.000 0.520 138 E N 1.206 121.316 120.200 -0.150 0.000 2.451 138 E HA 0.174 4.527 4.350 0.005 0.000 0.194 138 E C -0.288 176.288 176.600 -0.040 0.000 1.027 138 E CA -0.118 56.192 56.400 -0.150 0.000 0.914 138 E CB 0.061 29.581 29.700 -0.300 0.000 1.054 138 E HN 0.473 nan 8.360 nan 0.000 0.461 139 K N 0.947 121.350 120.400 0.006 0.000 3.071 139 K HA -0.195 4.128 4.320 0.005 0.000 0.265 139 K C -0.218 176.417 176.600 0.059 0.000 1.060 139 K CA 0.841 57.147 56.287 0.031 0.000 0.767 139 K CB -1.453 31.055 32.500 0.012 0.000 1.241 139 K HN 0.190 nan 8.250 nan 0.000 0.486 140 K N 0.306 120.773 120.400 0.110 0.000 2.259 140 K HA 0.615 4.938 4.320 0.005 0.000 0.249 140 K C 0.177 176.923 176.600 0.243 0.000 0.942 140 K CA -0.822 55.562 56.287 0.161 0.000 0.816 140 K CB 1.559 34.173 32.500 0.189 0.000 1.155 140 K HN 0.031 nan 8.250 nan 0.000 0.428 141 I N 2.084 122.783 120.570 0.215 0.000 2.436 141 I HA 0.114 4.287 4.170 0.005 0.000 0.289 141 I C 1.276 177.529 176.117 0.227 0.000 1.010 141 I CA -0.643 60.797 61.300 0.235 0.000 1.098 141 I CB 1.573 39.673 38.000 0.167 0.000 1.266 141 I HN 0.768 nan 8.210 nan 0.000 0.434 142 H N 6.697 125.841 119.070 0.124 0.000 2.326 142 H HA 0.001 4.560 4.556 0.005 0.000 0.301 142 H C 1.071 176.345 175.328 -0.090 0.000 1.081 142 H CA 2.044 58.027 56.048 -0.109 0.000 1.334 142 H CB 0.460 30.087 29.762 -0.225 0.000 1.385 142 H HN 0.634 nan 8.280 nan 0.000 0.504 143 R N -0.937 119.671 120.500 0.179 0.000 3.749 143 R HA -0.177 4.166 4.340 0.005 0.000 0.476 143 R C -0.415 175.948 176.300 0.104 0.000 0.814 143 R CA 1.297 57.461 56.100 0.107 0.000 1.494 143 R CB -1.401 28.940 30.300 0.068 0.000 2.164 143 R HN 0.311 nan 8.270 nan 0.000 0.473 144 D N 0.296 120.835 120.400 0.232 0.000 2.952 144 D HA 0.219 4.862 4.640 0.005 0.000 0.373 144 D C -0.559 175.727 176.300 -0.023 0.000 1.360 144 D CA -0.245 53.813 54.000 0.098 0.000 0.788 144 D CB 0.335 41.138 40.800 0.005 0.000 1.192 144 D HN 0.047 nan 8.370 nan 0.000 0.462 145 I N 2.417 122.910 120.570 -0.128 0.000 2.471 145 I HA 0.218 4.391 4.170 0.005 0.000 0.286 145 I C 0.584 176.478 176.117 -0.372 0.000 1.079 145 I CA 0.286 61.391 61.300 -0.325 0.000 1.398 145 I CB 0.142 38.029 38.000 -0.188 0.000 1.403 145 I HN 0.228 nan 8.210 nan 0.000 0.530 146 K N 3.885 123.988 120.400 -0.495 0.000 2.660 146 K HA 0.532 4.855 4.320 0.005 0.000 0.285 146 K C -0.139 176.212 176.600 -0.415 0.000 0.997 146 K CA -0.577 55.266 56.287 -0.740 0.000 0.861 146 K CB 0.751 32.196 32.500 -1.758 0.000 1.469 146 K HN 0.230 nan 8.250 nan 0.000 0.395 147 A N 1.064 123.727 122.820 -0.261 0.000 1.978 147 A HA -0.111 4.212 4.320 0.005 0.000 0.220 147 A C 2.190 179.655 177.584 -0.199 0.000 1.170 147 A CA 2.316 54.256 52.037 -0.161 0.000 0.636 147 A CB -1.034 17.922 19.000 -0.073 0.000 0.810 147 A HN 0.861 nan 8.150 nan 0.000 0.448 148 A N -0.256 122.407 122.820 -0.261 0.000 2.070 148 A HA -0.118 4.205 4.320 0.005 0.000 0.220 148 A C 1.494 178.961 177.584 -0.195 0.000 1.159 148 A CA 1.502 53.408 52.037 -0.217 0.000 0.656 148 A CB -0.353 18.507 19.000 -0.233 0.000 0.800 148 A HN 0.507 nan 8.150 nan 0.000 0.453 149 N N -0.418 118.145 118.700 -0.227 0.000 2.251 149 N HA 0.180 4.922 4.740 0.005 0.000 0.217 149 N C -0.784 174.646 175.510 -0.133 0.000 1.124 149 N CA 0.215 53.169 53.050 -0.160 0.000 0.843 149 N CB 0.966 39.359 38.487 -0.157 0.000 1.024 149 N HN 0.150 nan 8.380 nan 0.000 0.501 150 V N 2.339 122.170 119.914 -0.138 0.000 2.334 150 V HA 0.397 4.520 4.120 0.005 0.000 0.281 150 V C 0.003 176.044 176.094 -0.089 0.000 1.016 150 V CA -0.581 61.657 62.300 -0.102 0.000 0.832 150 V CB 1.483 33.241 31.823 -0.108 0.000 0.999 150 V HN 0.017 nan 8.190 nan 0.000 0.439 151 L N 5.816 127.001 121.223 -0.062 0.000 2.334 151 L HA 0.694 5.037 4.340 0.005 0.000 0.273 151 L C -0.896 175.935 176.870 -0.065 0.000 1.013 151 L CA -0.774 54.020 54.840 -0.077 0.000 0.816 151 L CB 1.928 43.944 42.059 -0.072 0.000 1.278 151 L HN 0.379 nan 8.230 nan 0.000 0.431 152 L N 0.937 122.109 121.223 -0.085 0.000 2.354 152 L HA 0.487 4.829 4.340 0.005 0.000 0.269 152 L C 0.307 177.126 176.870 -0.085 0.000 1.005 152 L CA -0.159 54.643 54.840 -0.064 0.000 0.819 152 L CB 2.095 44.121 42.059 -0.055 0.000 1.311 152 L HN 0.695 nan 8.230 nan 0.000 0.423 153 S N -0.039 115.630 115.700 -0.052 0.000 2.624 153 S HA 0.232 4.705 4.470 0.005 0.000 0.263 153 S C 0.746 175.309 174.600 -0.062 0.000 1.287 153 S CA -0.352 57.817 58.200 -0.052 0.000 0.990 153 S CB 0.645 63.860 63.200 0.024 0.000 0.950 153 S HN 0.693 nan 8.310 nan 0.000 0.561 154 E N -0.080 120.060 120.200 -0.100 0.000 2.333 154 E HA -0.123 4.230 4.350 0.005 0.000 0.198 154 E C 0.875 177.290 176.600 -0.308 0.000 1.007 154 E CA 0.955 57.238 56.400 -0.195 0.000 0.845 154 E CB -0.190 29.375 29.700 -0.225 0.000 0.766 154 E HN 0.633 nan 8.360 nan 0.000 0.507 155 H N -1.034 118.047 119.070 0.019 0.000 2.526 155 H HA 0.174 4.733 4.556 0.005 0.000 0.274 155 H C 1.301 176.630 175.328 0.002 0.000 0.999 155 H CA 0.768 56.823 56.048 0.012 0.000 1.157 155 H CB 1.000 30.766 29.762 0.008 0.000 1.407 155 H HN 0.331 nan 8.280 nan 0.000 0.568 156 G N 1.395 110.228 108.800 0.055 0.000 2.175 156 G HA2 -0.256 3.707 3.960 0.005 0.000 0.244 156 G HA3 -0.256 3.707 3.960 0.005 0.000 0.244 156 G C 0.016 174.940 174.900 0.039 0.000 0.982 156 G CA -0.050 45.074 45.100 0.039 0.000 0.641 156 G HN 0.416 nan 8.290 nan 0.000 0.527 157 E N -0.255 119.974 120.200 0.048 0.000 2.383 157 E HA 0.484 4.837 4.350 0.005 0.000 0.264 157 E C 0.165 176.786 176.600 0.034 0.000 1.050 157 E CA -0.197 56.230 56.400 0.045 0.000 0.896 157 E CB 1.728 31.447 29.700 0.031 0.000 0.982 157 E HN 0.185 nan 8.360 nan 0.000 0.424 158 V N 3.004 122.956 119.914 0.062 0.000 2.384 158 V HA 0.370 4.493 4.120 0.005 0.000 0.287 158 V C -0.296 175.855 176.094 0.094 0.000 1.020 158 V CA -0.694 61.639 62.300 0.056 0.000 0.850 158 V CB 1.243 33.097 31.823 0.052 0.000 0.987 158 V HN 0.582 nan 8.190 nan 0.000 0.436 159 K N 4.081 124.513 120.400 0.053 0.000 2.435 159 K HA 0.703 5.026 4.320 0.005 0.000 0.251 159 K C -1.208 175.436 176.600 0.073 0.000 0.954 159 K CA -0.662 55.671 56.287 0.076 0.000 0.820 159 K CB 2.499 35.020 32.500 0.036 0.000 1.292 159 K HN 0.483 nan 8.250 nan 0.000 0.436 160 L N 1.902 123.207 121.223 0.137 0.000 2.371 160 L HA 0.645 4.988 4.340 0.005 0.000 0.272 160 L C 0.058 177.111 176.870 0.305 0.000 1.124 160 L CA -0.403 54.533 54.840 0.160 0.000 0.816 160 L CB 1.117 43.304 42.059 0.212 0.000 1.129 160 L HN 0.757 nan 8.230 nan 0.000 0.448 161 A N 1.560 124.532 122.820 0.253 0.000 2.524 161 A HA 0.487 4.810 4.320 0.005 0.000 0.286 161 A C -0.555 177.182 177.584 0.255 0.000 1.203 161 A CA -0.402 51.806 52.037 0.286 0.000 0.736 161 A CB 1.313 20.375 19.000 0.104 0.000 1.322 161 A HN 0.832 nan 8.150 nan 0.000 0.424 162 D N -1.032 119.485 120.400 0.195 0.000 3.357 162 D HA -0.151 4.492 4.640 0.005 0.000 0.238 162 D C -0.862 175.321 176.300 -0.196 0.000 1.126 162 D CA 0.633 54.657 54.000 0.039 0.000 0.984 162 D CB -0.848 39.936 40.800 -0.026 0.000 0.925 162 D HN 0.472 nan 8.370 nan 0.000 0.414 163 F N 0.165 119.989 119.950 -0.209 0.000 2.701 163 F HA 0.268 4.798 4.527 0.005 0.000 0.295 163 F C 2.329 178.014 175.800 -0.191 0.000 1.165 163 F CA 0.158 57.965 58.000 -0.321 0.000 1.399 163 F CB 0.483 39.364 39.000 -0.199 0.000 0.996 163 F HN 0.342 nan 8.300 nan 0.000 0.513 164 G N 0.155 108.917 108.800 -0.063 0.000 2.479 164 G HA2 -0.183 3.780 3.960 0.005 0.000 0.220 164 G HA3 -0.183 3.780 3.960 0.005 0.000 0.220 164 G C 1.252 176.140 174.900 -0.019 0.000 1.115 164 G CA 1.461 46.550 45.100 -0.018 0.000 0.757 164 G HN 0.374 nan 8.290 nan 0.000 0.560 165 V N -3.361 116.510 119.914 -0.072 0.000 3.078 165 V HA 0.772 4.894 4.120 0.005 0.000 0.344 165 V C 0.812 176.890 176.094 -0.028 0.000 1.409 165 V CA -0.577 61.705 62.300 -0.029 0.000 1.146 165 V CB -0.275 31.537 31.823 -0.019 0.000 1.126 165 V HN 0.371 nan 8.190 nan 0.000 0.513 166 A N 0.787 123.572 122.820 -0.058 0.000 2.531 166 A HA 0.642 4.965 4.320 0.005 0.000 0.236 166 A C 0.779 178.403 177.584 0.067 0.000 1.062 166 A CA 0.824 52.856 52.037 -0.008 0.000 0.760 166 A CB -0.052 19.012 19.000 0.107 0.000 0.995 166 A HN 1.129 nan 8.150 nan 0.000 0.501 167 G N 0.378 109.236 108.800 0.098 0.000 2.454 167 G HA2 0.565 4.528 3.960 0.005 0.000 0.329 167 G HA3 0.565 4.528 3.960 0.005 0.000 0.329 167 G C -0.794 174.157 174.900 0.085 0.000 1.177 167 G CA -0.486 44.668 45.100 0.091 0.000 0.951 167 G HN 0.718 nan 8.290 nan 0.000 0.485 168 Q N 0.626 120.457 119.800 0.051 0.000 2.347 168 Q HA 0.236 4.579 4.340 0.005 0.000 0.265 168 Q C -1.171 174.837 176.000 0.014 0.000 1.024 168 Q CA -0.799 55.029 55.803 0.041 0.000 0.731 168 Q CB 2.472 31.231 28.738 0.035 0.000 1.245 168 Q HN 0.264 nan 8.270 nan 0.000 0.472 169 L N 2.685 123.915 121.223 0.012 0.000 2.387 169 L HA 0.213 4.556 4.340 0.005 0.000 0.267 169 L C 0.059 176.924 176.870 -0.007 0.000 1.197 169 L CA 0.630 55.463 54.840 -0.012 0.000 1.070 169 L CB 0.619 42.669 42.059 -0.015 0.000 1.349 169 L HN 0.410 nan 8.230 nan 0.000 0.422 170 T N 0.475 115.024 114.554 -0.008 0.000 2.888 170 T HA 0.233 4.585 4.350 0.005 0.000 0.284 170 T C 0.936 175.630 174.700 -0.009 0.000 1.017 170 T CA -0.473 61.624 62.100 -0.005 0.000 1.022 170 T CB 0.825 69.693 68.868 0.000 0.000 1.013 170 T HN 0.671 nan 8.240 nan 0.000 0.465 171 D N 1.367 121.763 120.400 -0.006 0.000 3.341 171 D HA -0.292 4.350 4.640 0.005 0.000 0.555 171 D C 1.434 177.728 176.300 -0.011 0.000 1.144 171 D CA 2.764 56.760 54.000 -0.007 0.000 1.558 171 D CB -0.921 39.877 40.800 -0.004 0.000 0.293 171 D HN 0.786 nan 8.370 nan 0.000 0.645 172 T N -1.852 112.695 114.554 -0.012 0.000 3.169 172 T HA 0.140 4.493 4.350 0.005 0.000 0.250 172 T C 0.355 175.041 174.700 -0.023 0.000 1.111 172 T CA 0.081 62.171 62.100 -0.016 0.000 1.010 172 T CB 0.149 69.009 68.868 -0.013 0.000 0.984 172 T HN 0.227 nan 8.240 nan 0.000 0.537 173 Q N 1.257 121.040 119.800 -0.027 0.000 3.412 173 Q HA 0.415 4.758 4.340 0.005 0.000 0.219 173 Q C 0.804 176.777 176.000 -0.046 0.000 0.913 173 Q CA -0.323 55.456 55.803 -0.041 0.000 0.722 173 Q CB 0.572 29.284 28.738 -0.044 0.000 1.385 173 Q HN 0.560 nan 8.270 nan 0.000 0.461 174 I N -2.856 117.688 120.570 -0.044 0.000 3.291 174 I HA 0.126 4.298 4.170 0.005 0.000 0.279 174 I C -0.127 175.954 176.117 -0.059 0.000 1.294 174 I CA 0.557 61.833 61.300 -0.041 0.000 1.428 174 I CB 0.163 38.145 38.000 -0.029 0.000 1.070 174 I HN 0.084 nan 8.210 nan 0.000 0.478 175 K N 1.583 121.928 120.400 -0.092 0.000 2.502 175 K HA 0.566 4.889 4.320 0.005 0.000 0.257 175 K C -0.875 175.575 176.600 -0.251 0.000 0.938 175 K CA -0.867 55.329 56.287 -0.151 0.000 0.819 175 K CB 2.603 35.022 32.500 -0.134 0.000 1.333 175 K HN -0.061 nan 8.250 nan 0.000 0.434 176 R N 1.764 121.978 120.500 -0.477 0.000 2.720 176 R HA 0.450 4.793 4.340 0.005 0.000 0.272 176 R C 0.105 175.796 176.300 -1.016 0.000 0.991 176 R CA -0.568 55.128 56.100 -0.672 0.000 1.010 176 R CB 1.073 30.944 30.300 -0.715 0.000 1.141 176 R HN 0.927 nan 8.270 nan 0.000 0.494 180 V N 3.360 123.365 119.914 0.151 0.000 3.167 180 V HA 1.037 5.160 4.120 0.005 0.000 0.310 180 V C 0.027 176.113 176.094 -0.013 0.000 1.207 180 V CA 0.473 62.769 62.300 -0.007 0.000 1.059 180 V CB 1.894 33.743 31.823 0.043 0.000 1.079 180 V HN 1.157 nan 8.190 nan 0.000 0.446 181 G N 1.669 110.449 108.800 -0.032 0.000 2.422 181 G HA2 0.038 4.001 3.960 0.005 0.000 0.607 181 G HA3 0.038 4.001 3.960 0.005 0.000 0.607 181 G C -0.553 174.351 174.900 0.005 0.000 1.270 181 G CA -0.217 44.885 45.100 0.003 0.000 0.992 181 G HN 1.089 nan 8.290 nan 0.000 0.499 182 T N 3.503 118.118 114.554 0.101 0.000 2.756 182 T HA 0.581 4.934 4.350 0.005 0.000 0.290 182 T C -0.539 174.297 174.700 0.226 0.000 0.985 182 T CA -0.421 61.786 62.100 0.179 0.000 0.955 182 T CB 2.141 71.204 68.868 0.325 0.000 0.930 182 T HN 0.551 nan 8.240 nan 0.000 0.451 183 P HA -0.279 nan 4.420 nan 0.000 0.222 183 P C 1.215 178.446 177.300 -0.115 0.000 1.159 183 P CA 1.842 64.852 63.100 -0.150 0.000 0.920 183 P CB -0.060 31.422 31.700 -0.362 0.000 0.793 184 F N -2.079 117.879 119.950 0.013 0.000 2.216 184 F HA -0.098 4.431 4.527 0.004 0.000 0.300 184 F C 2.622 178.265 175.800 -0.262 0.000 1.085 184 F CA 0.721 58.571 58.000 -0.250 0.000 1.326 184 F CB -0.813 37.765 39.000 -0.703 0.000 1.027 184 F HN -0.013 nan 8.300 nan 0.000 0.497 185 W N -0.544 120.905 121.300 0.248 0.000 3.211 185 W HA 0.246 4.908 4.660 0.004 0.000 0.292 185 W C 0.321 176.991 176.519 0.251 0.000 1.268 185 W CA -0.129 57.349 57.345 0.222 0.000 1.702 185 W CB -0.348 29.192 29.460 0.133 0.000 1.092 185 W HN -0.069 nan 8.180 nan 0.000 0.643 186 M N 0.741 120.521 119.600 0.300 0.000 2.228 186 M HA 0.263 4.746 4.480 0.005 0.000 0.351 186 M C 0.741 176.958 176.300 -0.138 0.000 1.233 186 M CA 0.008 55.372 55.300 0.107 0.000 1.129 186 M CB 0.805 33.424 32.600 0.032 0.000 1.604 186 M HN -0.241 nan 8.290 nan 0.000 0.457 187 A N 5.641 128.241 122.820 -0.367 0.000 2.445 187 A HA 0.303 4.626 4.320 0.005 0.000 0.242 187 A C -1.515 175.594 177.584 -0.793 0.000 1.075 187 A CA -1.274 50.178 52.037 -0.975 0.000 0.777 187 A CB -0.380 18.303 19.000 -0.529 0.000 1.013 187 A HN 0.671 nan 8.150 nan 0.000 0.493 188 P HA -0.242 nan 4.420 nan 0.000 0.215 188 P C 1.121 178.201 177.300 -0.366 0.000 1.157 188 P CA 1.763 64.517 63.100 -0.576 0.000 0.868 188 P CB -0.042 31.314 31.700 -0.575 0.000 0.788 189 E N 0.378 120.374 120.200 -0.340 0.000 2.265 189 E HA -0.094 4.258 4.350 0.005 0.000 0.196 189 E C 1.889 178.396 176.600 -0.154 0.000 0.996 189 E CA 1.042 57.327 56.400 -0.192 0.000 0.832 189 E CB -1.347 28.285 29.700 -0.113 0.000 0.756 189 E HN 0.117 nan 8.360 nan 0.000 0.491 190 V N 1.509 121.236 119.914 -0.311 0.000 2.407 190 V HA -0.170 3.953 4.120 0.005 0.000 0.245 190 V C 2.544 178.593 176.094 -0.075 0.000 1.041 190 V CA 1.274 63.394 62.300 -0.298 0.000 1.040 190 V CB -0.386 31.168 31.823 -0.447 0.000 0.671 190 V HN 0.176 nan 8.190 nan 0.000 0.455 191 I N -0.149 120.350 120.570 -0.118 0.000 2.179 191 I HA -0.232 3.941 4.170 0.005 0.000 0.242 191 I C 2.233 178.085 176.117 -0.442 0.000 1.088 191 I CA 1.560 62.763 61.300 -0.163 0.000 1.357 191 I CB -0.395 37.559 38.000 -0.077 0.000 1.051 191 I HN 0.221 nan 8.210 nan 0.000 0.409 192 K N 0.681 120.924 120.400 -0.262 0.000 2.574 192 K HA -0.143 4.179 4.320 0.005 0.000 0.193 192 K C 0.922 177.407 176.600 -0.191 0.000 1.035 192 K CA 0.342 56.497 56.287 -0.221 0.000 0.982 192 K CB -0.119 32.291 32.500 -0.151 0.000 0.795 192 K HN 0.310 nan 8.250 nan 0.000 0.491 193 Q N 0.129 119.822 119.800 -0.179 0.000 2.348 193 Q HA -0.204 4.139 4.340 0.005 0.000 0.221 193 Q C -0.717 175.275 176.000 -0.013 0.000 0.735 193 Q CA 0.478 56.233 55.803 -0.079 0.000 1.351 193 Q CB -1.206 27.441 28.738 -0.152 0.000 1.640 193 Q HN 0.205 nan 8.270 nan 0.000 0.667 194 S N -0.267 115.433 115.700 -0.000 0.000 2.576 194 S HA 0.427 4.900 4.470 0.005 0.000 0.272 194 S C 0.265 174.890 174.600 0.042 0.000 1.352 194 S CA -0.007 58.195 58.200 0.003 0.000 1.021 194 S CB 0.874 64.067 63.200 -0.013 0.000 0.887 194 S HN 0.508 nan 8.310 nan 0.000 0.542 195 A N 1.621 124.425 122.820 -0.026 0.000 2.462 195 A HA 0.526 4.849 4.320 0.005 0.000 0.243 195 A C -0.427 177.157 177.584 -0.001 0.000 1.076 195 A CA -0.030 51.949 52.037 -0.097 0.000 0.773 195 A CB -0.382 18.566 19.000 -0.087 0.000 1.010 195 A HN 0.825 nan 8.150 nan 0.000 0.493 196 Y N -0.325 119.946 120.300 -0.048 0.000 2.670 196 Y HA 0.729 5.282 4.550 0.005 0.000 0.334 196 Y C -0.727 175.146 175.900 -0.044 0.000 1.185 196 Y CA -1.255 56.814 58.100 -0.052 0.000 1.053 196 Y CB 0.923 39.348 38.460 -0.058 0.000 1.298 196 Y HN 0.690 nan 8.280 nan 0.000 0.459 197 D N -1.288 119.271 120.400 0.264 0.000 3.225 197 D HA 0.249 4.892 4.640 0.005 0.000 0.294 197 D C 0.970 177.308 176.300 0.062 0.000 1.306 197 D CA 0.041 54.115 54.000 0.123 0.000 1.019 197 D CB -0.025 40.784 40.800 0.016 0.000 1.344 197 D HN 0.601 nan 8.370 nan 0.000 0.615 198 S N -0.633 114.994 115.700 -0.122 0.000 2.407 198 S HA -0.271 4.201 4.470 0.005 0.000 0.235 198 S C 1.499 175.931 174.600 -0.280 0.000 1.036 198 S CA 0.996 58.923 58.200 -0.456 0.000 1.013 198 S CB -0.638 62.059 63.200 -0.839 0.000 0.820 198 S HN 0.377 nan 8.310 nan 0.000 0.476 199 K N 1.895 122.239 120.400 -0.092 0.000 2.218 199 K HA 0.050 4.372 4.320 0.005 0.000 0.205 199 K C 2.423 179.051 176.600 0.047 0.000 1.046 199 K CA 1.225 57.514 56.287 0.004 0.000 0.933 199 K CB -1.198 31.319 32.500 0.029 0.000 0.728 199 K HN 0.595 nan 8.250 nan 0.000 0.454 200 A N 1.912 124.736 122.820 0.007 0.000 1.940 200 A HA -0.201 4.122 4.320 0.005 0.000 0.219 200 A C 1.757 179.396 177.584 0.092 0.000 1.176 200 A CA 1.906 53.923 52.037 -0.033 0.000 0.631 200 A CB -0.323 18.542 19.000 -0.224 0.000 0.814 200 A HN 0.193 nan 8.150 nan 0.000 0.446 201 D N -0.184 120.285 120.400 0.116 0.000 2.219 201 D HA -0.084 4.559 4.640 0.005 0.000 0.205 201 D C 1.788 178.210 176.300 0.203 0.000 0.970 201 D CA 0.698 54.816 54.000 0.197 0.000 0.851 201 D CB -0.163 40.847 40.800 0.350 0.000 0.943 201 D HN 0.342 nan 8.370 nan 0.000 0.488 202 I N 0.266 120.950 120.570 0.191 0.000 2.315 202 I HA -0.194 3.979 4.170 0.005 0.000 0.248 202 I C 2.306 178.498 176.117 0.125 0.000 1.117 202 I CA 0.600 61.983 61.300 0.139 0.000 1.404 202 I CB -1.105 36.957 38.000 0.104 0.000 1.071 202 I HN 0.267 nan 8.210 nan 0.000 0.419 203 W N 2.225 123.526 121.300 0.003 0.000 2.378 203 W HA -0.184 4.478 4.660 0.004 0.000 0.313 203 W C 2.485 179.024 176.519 0.034 0.000 1.197 203 W CA 1.689 59.031 57.345 -0.004 0.000 1.304 203 W CB -0.491 28.956 29.460 -0.022 0.000 1.148 203 W HN 0.078 nan 8.180 nan 0.000 0.494 204 S N 1.535 117.457 115.700 0.370 0.000 2.383 204 S HA -0.249 4.224 4.470 0.005 0.000 0.229 204 S C 1.759 176.470 174.600 0.184 0.000 1.030 204 S CA 1.601 59.995 58.200 0.323 0.000 1.002 204 S CB -0.815 62.554 63.200 0.281 0.000 0.829 204 S HN 0.298 nan 8.310 nan 0.000 0.467 205 L N 1.955 123.241 121.223 0.105 0.000 2.083 205 L HA 0.018 4.360 4.340 0.005 0.000 0.209 205 L C 2.238 179.127 176.870 0.032 0.000 1.083 205 L CA 1.846 56.729 54.840 0.072 0.000 0.752 205 L CB -1.098 41.007 42.059 0.077 0.000 0.899 205 L HN 0.302 nan 8.230 nan 0.000 0.433 206 G N -0.254 108.490 108.800 -0.094 0.000 2.408 206 G HA2 -0.191 3.772 3.960 0.005 0.000 0.217 206 G HA3 -0.191 3.772 3.960 0.005 0.000 0.217 206 G C 1.487 176.255 174.900 -0.220 0.000 1.150 206 G CA 0.826 45.804 45.100 -0.203 0.000 0.776 206 G HN 0.352 nan 8.290 nan 0.000 0.542 207 I N 1.604 122.041 120.570 -0.222 0.000 2.315 207 I HA -0.090 4.083 4.170 0.005 0.000 0.248 207 I C 2.781 178.896 176.117 -0.004 0.000 1.117 207 I CA 1.309 62.501 61.300 -0.180 0.000 1.404 207 I CB -1.420 36.500 38.000 -0.133 0.000 1.071 207 I HN 0.099 nan 8.210 nan 0.000 0.419 208 T N 1.217 115.867 114.554 0.160 0.000 2.867 208 T HA -0.023 4.330 4.350 0.005 0.000 0.268 208 T C 2.054 176.776 174.700 0.037 0.000 1.057 208 T CA 1.215 63.427 62.100 0.186 0.000 1.136 208 T CB -0.129 68.814 68.868 0.125 0.000 0.874 208 T HN 0.422 nan 8.240 nan 0.000 0.466 209 A N 1.267 124.082 122.820 -0.009 0.000 1.898 209 A HA 0.047 4.370 4.320 0.005 0.000 0.216 209 A C 2.267 179.750 177.584 -0.168 0.000 1.181 209 A CA 0.959 52.950 52.037 -0.078 0.000 0.620 209 A CB -0.696 18.297 19.000 -0.011 0.000 0.819 209 A HN 0.480 nan 8.150 nan 0.000 0.442 210 I N -0.519 119.941 120.570 -0.184 0.000 2.179 210 I HA -0.276 3.897 4.170 0.005 0.000 0.242 210 I C 2.620 178.619 176.117 -0.197 0.000 1.088 210 I CA 1.874 63.025 61.300 -0.248 0.000 1.357 210 I CB -0.331 37.513 38.000 -0.260 0.000 1.051 210 I HN 0.562 nan 8.210 nan 0.000 0.409 211 E N 1.309 121.442 120.200 -0.112 0.000 2.085 211 E HA -0.242 4.111 4.350 0.005 0.000 0.194 211 E C 2.314 178.880 176.600 -0.057 0.000 0.994 211 E CA 1.311 57.684 56.400 -0.045 0.000 0.801 211 E CB -0.054 29.730 29.700 0.140 0.000 0.743 211 E HN 0.480 nan 8.360 nan 0.000 0.453 212 L N 0.005 121.189 121.223 -0.066 0.000 2.201 212 L HA -0.077 4.266 4.340 0.005 0.000 0.212 212 L C 2.528 179.340 176.870 -0.097 0.000 1.105 212 L CA 0.835 55.630 54.840 -0.074 0.000 0.775 212 L CB -0.265 41.754 42.059 -0.066 0.000 0.913 212 L HN 0.191 nan 8.230 nan 0.000 0.440 213 A N -0.023 122.694 122.820 -0.172 0.000 1.935 213 A HA -0.034 4.289 4.320 0.005 0.000 0.214 213 A C 2.286 179.803 177.584 -0.112 0.000 1.178 213 A CA 0.855 52.759 52.037 -0.222 0.000 0.640 213 A CB -0.092 18.534 19.000 -0.625 0.000 0.825 213 A HN 0.298 nan 8.150 nan 0.000 0.447 214 R N -2.500 117.921 120.500 -0.132 0.000 2.344 214 R HA 0.295 4.638 4.340 0.005 0.000 0.209 214 R C 1.248 177.511 176.300 -0.062 0.000 0.886 214 R CA 0.701 56.762 56.100 -0.063 0.000 1.040 214 R CB 0.560 30.801 30.300 -0.099 0.000 1.114 214 R HN 0.616 nan 8.270 nan 0.000 0.547 215 G N 0.276 109.031 108.800 -0.074 0.000 2.232 215 G HA2 -0.194 3.769 3.960 0.005 0.000 0.226 215 G HA3 -0.194 3.769 3.960 0.005 0.000 0.226 215 G C -0.093 174.768 174.900 -0.065 0.000 0.996 215 G CA -0.161 44.900 45.100 -0.064 0.000 0.626 215 G HN 0.234 nan 8.290 nan 0.000 0.509 216 E N 0.300 120.440 120.200 -0.100 0.000 2.413 216 E HA 0.437 4.790 4.350 0.005 0.000 0.277 216 E C -2.876 173.585 176.600 -0.232 0.000 0.958 216 E CA -1.460 54.854 56.400 -0.143 0.000 0.779 216 E CB 3.099 32.687 29.700 -0.186 0.000 1.278 216 E HN 0.175 nan 8.360 nan 0.000 0.456 217 P HA 0.336 nan 4.420 nan 0.000 0.277 217 P C -2.612 174.407 177.300 -0.468 0.000 1.271 217 P CA -1.612 61.179 63.100 -0.514 0.000 0.795 217 P CB -0.339 30.756 31.700 -1.007 0.000 1.101 218 P HA 0.030 nan 4.420 nan 0.000 0.269 218 P C 0.003 177.085 177.300 -0.363 0.000 1.215 218 P CA 0.708 63.544 63.100 -0.439 0.000 0.780 218 P CB -0.271 31.114 31.700 -0.524 0.000 0.898 219 H N -0.619 118.368 119.070 -0.139 0.000 3.047 219 H HA -0.150 4.409 4.556 0.004 0.000 0.263 219 H C 1.191 176.431 175.328 -0.147 0.000 1.168 219 H CA 1.158 57.173 56.048 -0.055 0.000 1.152 219 H CB -2.165 27.645 29.762 0.081 0.000 1.278 219 H HN 0.526 nan 8.280 nan 0.000 0.339 220 S N -0.320 115.166 115.700 -0.356 0.000 2.500 220 S HA -0.095 4.378 4.470 0.005 0.000 0.239 220 S C 1.655 176.082 174.600 -0.288 0.000 0.989 220 S CA 1.413 59.183 58.200 -0.717 0.000 0.951 220 S CB 0.277 63.093 63.200 -0.639 0.000 0.759 220 S HN 0.241 nan 8.310 nan 0.000 0.523 221 E N 0.634 120.784 120.200 -0.083 0.000 2.447 221 E HA 0.366 4.719 4.350 0.005 0.000 0.195 221 E C 0.394 177.049 176.600 0.091 0.000 1.028 221 E CA -0.034 56.369 56.400 0.004 0.000 0.876 221 E CB -0.044 29.657 29.700 0.001 0.000 0.885 221 E HN 0.616 nan 8.360 nan 0.000 0.500 222 L N -0.022 121.295 121.223 0.157 0.000 2.439 222 L HA 0.295 4.638 4.340 0.005 0.000 0.259 222 L C 0.593 177.609 176.870 0.243 0.000 1.129 222 L CA -0.866 54.085 54.840 0.185 0.000 0.803 222 L CB 0.411 42.555 42.059 0.141 0.000 1.161 222 L HN 0.051 nan 8.230 nan 0.000 0.462 223 H N 1.447 120.581 119.070 0.107 0.000 2.683 223 H HA 0.099 4.658 4.556 0.004 0.000 0.339 223 H C -1.881 173.439 175.328 -0.013 0.000 1.081 223 H CA -1.039 55.055 56.048 0.076 0.000 1.432 223 H CB 1.270 31.064 29.762 0.053 0.000 1.462 223 H HN 0.236 nan 8.280 nan 0.000 0.557 224 P HA -0.275 nan 4.420 nan 0.000 0.218 224 P C 1.389 178.580 177.300 -0.182 0.000 1.152 224 P CA 1.841 64.636 63.100 -0.507 0.000 0.857 224 P CB 0.109 31.485 31.700 -0.540 0.000 0.787 225 M N -1.567 118.152 119.600 0.198 0.000 2.175 225 M HA -0.159 4.324 4.480 0.005 0.000 0.264 225 M C 2.028 178.435 176.300 0.179 0.000 1.063 225 M CA 1.698 57.126 55.300 0.214 0.000 1.119 225 M CB -0.490 32.274 32.600 0.273 0.000 1.377 225 M HN -0.092 nan 8.290 nan 0.000 0.415 226 K N -0.094 120.412 120.400 0.177 0.000 2.057 226 K HA -0.115 4.208 4.320 0.005 0.000 0.207 226 K C 1.793 178.143 176.600 -0.417 0.000 1.049 226 K CA 1.223 57.573 56.287 0.105 0.000 0.931 226 K CB -0.135 32.426 32.500 0.103 0.000 0.714 226 K HN 0.157 nan 8.250 nan 0.000 0.440 227 V N 1.489 121.213 119.914 -0.317 0.000 2.407 227 V HA -0.235 3.888 4.120 0.005 0.000 0.248 227 V C 2.154 178.033 176.094 -0.357 0.000 1.055 227 V CA 1.348 63.383 62.300 -0.442 0.000 1.049 227 V CB -0.395 31.218 31.823 -0.351 0.000 0.662 227 V HN 0.237 nan 8.190 nan 0.000 0.455 228 L N -0.039 121.073 121.223 -0.185 0.000 2.081 228 L HA -0.214 4.129 4.340 0.005 0.000 0.212 228 L C 2.244 179.095 176.870 -0.031 0.000 1.080 228 L CA 2.408 57.225 54.840 -0.039 0.000 0.754 228 L CB -0.560 41.559 42.059 0.100 0.000 0.893 228 L HN 0.615 nan 8.230 nan 0.000 0.433 229 F N -3.119 116.802 119.950 -0.048 0.000 2.530 229 F HA 0.116 4.645 4.527 0.004 0.000 0.292 229 F C 1.788 177.548 175.800 -0.067 0.000 1.109 229 F CA 0.451 58.421 58.000 -0.052 0.000 1.450 229 F CB -0.814 38.163 39.000 -0.038 0.000 1.114 229 F HN -0.151 nan 8.300 nan 0.000 0.560 230 L N 0.554 121.186 121.223 -0.985 0.000 2.093 230 L HA -0.132 4.210 4.340 0.005 0.000 0.208 230 L C 2.493 179.204 176.870 -0.265 0.000 1.085 230 L CA 1.257 55.682 54.840 -0.692 0.000 0.755 230 L CB -0.604 40.910 42.059 -0.908 0.000 0.904 230 L HN 0.213 nan 8.230 nan 0.000 0.435 231 I N -0.072 120.368 120.570 -0.217 0.000 2.179 231 I HA -0.190 3.983 4.170 0.005 0.000 0.242 231 I C -0.336 175.729 176.117 -0.087 0.000 1.088 231 I CA 1.377 62.635 61.300 -0.070 0.000 1.357 231 I CB -1.357 36.599 38.000 -0.074 0.000 1.051 231 I HN 0.199 nan 8.210 nan 0.000 0.409 232 P HA -0.143 nan 4.420 nan 0.000 0.219 232 P C 1.492 178.768 177.300 -0.041 0.000 1.150 232 P CA 1.276 64.315 63.100 -0.102 0.000 0.814 232 P CB 0.007 31.653 31.700 -0.090 0.000 0.787 233 K N -0.562 119.835 120.400 -0.005 0.000 1.984 233 K HA -0.059 4.264 4.320 0.005 0.000 0.209 233 K C 0.639 177.263 176.600 0.041 0.000 1.046 233 K CA 1.045 57.356 56.287 0.039 0.000 0.934 233 K CB -0.289 32.277 32.500 0.110 0.000 0.717 233 K HN 0.051 nan 8.250 nan 0.000 0.438 234 N N 1.584 120.309 118.700 0.041 0.000 2.354 234 N HA 0.007 4.750 4.740 0.005 0.000 0.246 234 N C -0.300 175.262 175.510 0.087 0.000 1.285 234 N CA -0.192 52.900 53.050 0.069 0.000 0.925 234 N CB 0.112 38.654 38.487 0.091 0.000 1.174 234 N HN 0.157 nan 8.380 nan 0.000 0.478 235 N N 1.276 120.026 118.700 0.082 0.000 2.453 235 N HA 0.147 4.890 4.740 0.005 0.000 0.253 235 N C -2.196 173.387 175.510 0.121 0.000 1.252 235 N CA -0.558 52.544 53.050 0.086 0.000 0.917 235 N CB -0.126 38.396 38.487 0.060 0.000 1.117 235 N HN 0.376 nan 8.380 nan 0.000 0.442 236 P HA 0.195 nan 4.420 nan 0.000 0.269 236 P C -2.494 174.814 177.300 0.014 0.000 1.215 236 P CA -0.756 62.448 63.100 0.173 0.000 0.780 236 P CB -0.449 31.348 31.700 0.163 0.000 0.898 237 P HA 0.140 nan 4.420 nan 0.000 0.269 237 P C -0.065 177.129 177.300 -0.175 0.000 1.215 237 P CA 0.318 63.327 63.100 -0.153 0.000 0.780 237 P CB 0.161 31.714 31.700 -0.245 0.000 0.898 238 T N -1.012 113.452 114.554 -0.150 0.000 2.907 238 T HA 0.591 4.944 4.350 0.005 0.000 0.290 238 T C -0.766 173.842 174.700 -0.153 0.000 1.066 238 T CA -0.973 61.043 62.100 -0.139 0.000 1.012 238 T CB 0.939 69.755 68.868 -0.085 0.000 1.184 238 T HN 0.212 nan 8.240 nan 0.000 0.522 239 L N 1.348 122.479 121.223 -0.154 0.000 2.275 239 L HA 0.555 4.898 4.340 0.005 0.000 0.288 239 L C -0.308 176.517 176.870 -0.074 0.000 1.046 239 L CA -0.102 54.632 54.840 -0.177 0.000 0.805 239 L CB 0.405 42.295 42.059 -0.280 0.000 1.193 239 L HN 0.779 nan 8.230 nan 0.000 0.426 240 E N 3.542 123.720 120.200 -0.037 0.000 2.248 240 E HA 0.825 5.178 4.350 0.005 0.000 0.272 240 E C 0.124 176.828 176.600 0.175 0.000 1.008 240 E CA -0.266 56.157 56.400 0.039 0.000 0.856 240 E CB 1.347 31.048 29.700 0.001 0.000 1.120 240 E HN 0.978 nan 8.360 nan 0.000 0.397 241 G N 1.826 110.700 108.800 0.124 0.000 2.409 241 G HA2 -0.206 3.757 3.960 0.005 0.000 0.421 241 G HA3 -0.206 3.757 3.960 0.005 0.000 0.421 241 G C -0.982 173.877 174.900 -0.069 0.000 1.259 241 G CA -0.815 44.324 45.100 0.066 0.000 1.011 241 G HN 0.505 nan 8.290 nan 0.000 0.497 242 N N 0.655 119.150 118.700 -0.342 0.000 2.968 242 N HA 0.512 5.254 4.740 0.005 0.000 0.271 242 N C -0.992 174.154 175.510 -0.607 0.000 1.174 242 N CA -0.058 52.778 53.050 -0.356 0.000 1.096 242 N CB -0.707 37.603 38.487 -0.295 0.000 1.403 242 N HN 0.467 nan 8.380 nan 0.000 0.522 243 Y N -0.422 119.852 120.300 -0.042 0.000 2.524 243 Y HA 0.335 4.888 4.550 0.004 0.000 0.344 243 Y C 0.904 176.786 175.900 -0.031 0.000 1.012 243 Y CA -1.119 56.952 58.100 -0.049 0.000 1.068 243 Y CB 1.288 39.692 38.460 -0.093 0.000 1.249 243 Y HN 0.251 nan 8.280 nan 0.000 0.468 244 S N 0.989 116.769 115.700 0.134 0.000 2.566 244 S HA 0.012 4.485 4.470 0.005 0.000 0.280 244 S C 1.102 175.759 174.600 0.094 0.000 1.343 244 S CA -0.416 57.847 58.200 0.106 0.000 1.036 244 S CB 0.958 64.249 63.200 0.152 0.000 0.866 244 S HN 0.891 nan 8.310 nan 0.000 0.526 245 K N 1.766 122.215 120.400 0.082 0.000 2.057 245 K HA -0.034 4.289 4.320 0.005 0.000 0.207 245 K C -0.910 175.755 176.600 0.108 0.000 1.049 245 K CA 1.329 57.661 56.287 0.075 0.000 0.931 245 K CB -1.185 31.352 32.500 0.062 0.000 0.714 245 K HN 0.500 nan 8.250 nan 0.000 0.440 246 P HA -0.173 nan 4.420 nan 0.000 0.218 246 P C 1.135 178.573 177.300 0.229 0.000 1.148 246 P CA 0.878 64.149 63.100 0.285 0.000 0.822 246 P CB 0.088 31.995 31.700 0.345 0.000 0.784 247 L N 0.061 121.260 121.223 -0.040 0.000 2.072 247 L HA -0.067 4.276 4.340 0.005 0.000 0.205 247 L C 1.869 178.567 176.870 -0.287 0.000 1.079 247 L CA 1.970 56.435 54.840 -0.626 0.000 0.752 247 L CB -1.178 40.367 42.059 -0.857 0.000 0.906 247 L HN -0.211 nan 8.230 nan 0.000 0.436 248 K N -0.309 120.017 120.400 -0.124 0.000 2.152 248 K HA -0.182 4.141 4.320 0.005 0.000 0.206 248 K C 1.937 178.509 176.600 -0.046 0.000 1.048 248 K CA 1.836 58.072 56.287 -0.085 0.000 0.933 248 K CB -0.119 32.368 32.500 -0.022 0.000 0.721 248 K HN 0.518 nan 8.250 nan 0.000 0.447 249 E N -0.244 119.975 120.200 0.032 0.000 2.158 249 E HA -0.134 4.219 4.350 0.005 0.000 0.191 249 E C 1.727 178.343 176.600 0.027 0.000 0.982 249 E CA 0.544 56.996 56.400 0.088 0.000 0.823 249 E CB -0.056 29.768 29.700 0.206 0.000 0.766 249 E HN 0.233 nan 8.360 nan 0.000 0.468 250 F N 1.359 121.152 119.950 -0.262 0.000 2.102 250 F HA -0.211 4.319 4.527 0.005 0.000 0.298 250 F C 2.082 177.681 175.800 -0.336 0.000 1.105 250 F CA 1.058 58.700 58.000 -0.596 0.000 1.239 250 F CB -0.243 38.374 39.000 -0.638 0.000 0.991 250 F HN -0.225 nan 8.300 nan 0.000 0.474 251 V N 0.669 120.524 119.914 -0.098 0.000 2.261 251 V HA -0.311 3.812 4.120 0.005 0.000 0.246 251 V C 2.343 178.294 176.094 -0.238 0.000 1.047 251 V CA 2.372 64.564 62.300 -0.178 0.000 1.015 251 V CB -0.721 30.992 31.823 -0.183 0.000 0.642 251 V HN 0.354 nan 8.190 nan 0.000 0.446 252 E N -0.062 120.038 120.200 -0.166 0.000 2.070 252 E HA -0.289 4.064 4.350 0.005 0.000 0.197 252 E C 2.314 178.835 176.600 -0.132 0.000 1.004 252 E CA 1.516 57.839 56.400 -0.128 0.000 0.805 252 E CB -0.354 29.310 29.700 -0.060 0.000 0.744 252 E HN 0.606 nan 8.360 nan 0.000 0.451 253 A N 0.623 123.349 122.820 -0.155 0.000 1.908 253 A HA -0.233 4.090 4.320 0.005 0.000 0.218 253 A C 2.458 179.944 177.584 -0.165 0.000 1.181 253 A CA 1.516 53.473 52.037 -0.133 0.000 0.627 253 A CB -0.895 18.019 19.000 -0.144 0.000 0.818 253 A HN 0.399 nan 8.150 nan 0.000 0.445 254 C N -0.890 118.231 119.300 -0.300 0.000 2.429 254 C HA 0.047 4.510 4.460 0.005 0.000 0.277 254 C C 1.534 176.407 174.990 -0.195 0.000 1.262 254 C CA 0.275 59.140 59.018 -0.256 0.000 1.733 254 C CB -1.289 26.240 27.740 -0.352 0.000 2.010 254 C HN 0.512 nan 8.230 nan 0.000 0.483 255 L N 2.352 123.384 121.223 -0.317 0.000 2.648 255 L HA 0.221 4.564 4.340 0.005 0.000 0.238 255 L C 0.072 176.903 176.870 -0.064 0.000 1.316 255 L CA 0.065 54.599 54.840 -0.510 0.000 1.241 255 L CB -0.949 40.656 42.059 -0.756 0.000 1.499 255 L HN 0.423 nan 8.230 nan 0.000 0.411 256 N N 1.327 120.134 118.700 0.178 0.000 2.400 256 N HA 0.139 4.881 4.740 0.005 0.000 0.288 256 N C 0.787 176.502 175.510 0.342 0.000 1.024 256 N CA -0.447 52.738 53.050 0.226 0.000 0.894 256 N CB 1.583 40.190 38.487 0.200 0.000 1.173 256 N HN 0.133 nan 8.380 nan 0.000 0.487 257 K N 1.179 121.734 120.400 0.259 0.000 2.152 257 K HA -0.155 4.168 4.320 0.005 0.000 0.206 257 K C 0.149 176.721 176.600 -0.046 0.000 1.048 257 K CA 0.988 57.338 56.287 0.105 0.000 0.933 257 K CB -0.142 32.383 32.500 0.042 0.000 0.721 257 K HN 0.585 nan 8.250 nan 0.000 0.447 258 E N 2.428 122.567 120.200 -0.101 0.000 2.070 258 E HA 0.044 4.397 4.350 0.005 0.000 0.282 258 E C -1.829 174.638 176.600 -0.221 0.000 1.104 258 E CA -2.307 53.891 56.400 -0.337 0.000 0.876 258 E CB 1.088 30.243 29.700 -0.908 0.000 1.055 258 E HN -0.117 nan 8.360 nan 0.000 0.401 259 P HA -0.186 nan 4.420 nan 0.000 0.216 259 P C 0.786 178.080 177.300 -0.009 0.000 1.150 259 P CA 1.098 64.173 63.100 -0.042 0.000 0.843 259 P CB 0.287 31.962 31.700 -0.041 0.000 0.787 260 S N -1.077 114.574 115.700 -0.082 0.000 2.442 260 S HA -0.049 4.424 4.470 0.005 0.000 0.236 260 S C 1.295 176.100 174.600 0.343 0.000 1.007 260 S CA 0.786 59.027 58.200 0.068 0.000 0.965 260 S CB -0.711 62.511 63.200 0.036 0.000 0.773 260 S HN 0.066 nan 8.310 nan 0.000 0.504 261 F N 1.711 121.679 119.950 0.030 0.000 2.797 261 F HA 0.284 4.814 4.527 0.005 0.000 0.302 261 F C 1.078 176.893 175.800 0.025 0.000 1.130 261 F CA -0.383 57.633 58.000 0.027 0.000 1.387 261 F CB -0.616 38.402 39.000 0.029 0.000 1.107 261 F HN -0.047 nan 8.300 nan 0.000 0.577 262 R N 2.041 122.671 120.500 0.216 0.000 2.357 262 R HA 0.246 4.589 4.340 0.005 0.000 0.296 262 R C -2.229 174.125 176.300 0.090 0.000 1.052 262 R CA -1.615 54.559 56.100 0.123 0.000 0.988 262 R CB 0.327 30.692 30.300 0.107 0.000 1.025 262 R HN -0.091 nan 8.270 nan 0.000 0.469 263 P HA -0.013 nan 4.420 nan 0.000 0.272 263 P C -0.249 177.085 177.300 0.056 0.000 1.240 263 P CA -0.286 62.842 63.100 0.046 0.000 0.791 263 P CB 0.606 32.320 31.700 0.023 0.000 0.978 264 T N -2.565 112.031 114.554 0.071 0.000 2.788 264 T HA 0.361 4.713 4.350 0.005 0.000 0.287 264 T C 1.532 176.291 174.700 0.098 0.000 1.007 264 T CA -0.015 62.146 62.100 0.102 0.000 1.005 264 T CB 0.206 69.132 68.868 0.097 0.000 1.012 264 T HN 0.419 nan 8.240 nan 0.000 0.530 265 A N 0.474 123.371 122.820 0.128 0.000 1.898 265 A HA -0.017 4.306 4.320 0.005 0.000 0.216 265 A C 2.363 179.988 177.584 0.067 0.000 1.181 265 A CA 1.776 53.862 52.037 0.082 0.000 0.620 265 A CB -0.957 18.063 19.000 0.034 0.000 0.819 265 A HN 0.983 nan 8.150 nan 0.000 0.442 266 K N -0.425 120.015 120.400 0.067 0.000 2.034 266 K HA -0.227 4.096 4.320 0.005 0.000 0.214 266 K C 1.917 178.555 176.600 0.063 0.000 1.051 266 K CA 1.858 58.179 56.287 0.056 0.000 0.931 266 K CB -0.116 32.418 32.500 0.056 0.000 0.715 266 K HN 0.400 nan 8.250 nan 0.000 0.446 267 E N 0.529 120.770 120.200 0.068 0.000 2.106 267 E HA -0.151 4.202 4.350 0.005 0.000 0.192 267 E C 2.076 178.741 176.600 0.108 0.000 0.984 267 E CA 0.904 57.348 56.400 0.074 0.000 0.806 267 E CB -0.096 29.641 29.700 0.062 0.000 0.750 267 E HN 0.387 nan 8.360 nan 0.000 0.458 268 L N 0.391 121.683 121.223 0.114 0.000 2.275 268 L HA -0.096 4.247 4.340 0.005 0.000 0.215 268 L C 2.357 179.379 176.870 0.253 0.000 1.119 268 L CA 0.365 55.316 54.840 0.185 0.000 0.790 268 L CB -0.286 41.828 42.059 0.091 0.000 0.919 268 L HN 0.065 nan 8.230 nan 0.000 0.443 269 L N -0.369 120.945 121.223 0.152 0.000 2.456 269 L HA -0.176 4.167 4.340 0.005 0.000 0.224 269 L C 1.825 178.759 176.870 0.108 0.000 1.148 269 L CA 1.168 56.075 54.840 0.111 0.000 0.825 269 L CB -0.186 41.902 42.059 0.048 0.000 0.937 269 L HN 0.224 nan 8.230 nan 0.000 0.450 270 K N -2.284 118.192 120.400 0.126 0.000 2.358 270 K HA 0.084 4.407 4.320 0.005 0.000 0.200 270 K C 0.505 177.178 176.600 0.122 0.000 1.030 270 K CA -0.245 56.097 56.287 0.093 0.000 1.097 270 K CB 0.221 32.756 32.500 0.058 0.000 0.862 270 K HN 0.128 nan 8.250 nan 0.000 0.534 271 H N 2.815 121.963 119.070 0.129 0.000 2.972 271 H HA -0.048 4.511 4.556 0.005 0.000 0.343 271 H C 1.144 176.559 175.328 0.146 0.000 1.054 271 H CA 0.917 57.071 56.048 0.177 0.000 1.412 271 H CB 1.078 31.055 29.762 0.358 0.000 1.385 271 H HN 0.087 nan 8.280 nan 0.000 0.600 272 K N 5.000 125.360 120.400 -0.068 0.000 2.103 272 K HA -0.205 4.118 4.320 0.005 0.000 0.207 272 K C 1.841 178.559 176.600 0.196 0.000 1.048 272 K CA 1.375 57.687 56.287 0.043 0.000 0.930 272 K CB -0.721 31.759 32.500 -0.032 0.000 0.716 272 K HN 0.499 nan 8.250 nan 0.000 0.444 273 F N 2.773 122.947 119.950 0.373 0.000 2.095 273 F HA -0.173 4.357 4.527 0.005 0.000 0.298 273 F C 2.103 177.929 175.800 0.043 0.000 1.104 273 F CA 1.096 59.204 58.000 0.181 0.000 1.232 273 F CB -0.150 38.917 39.000 0.113 0.000 0.987 273 F HN -0.130 nan 8.300 nan 0.000 0.475 274 I N 0.420 120.895 120.570 -0.159 0.000 2.202 274 I HA -0.278 3.895 4.170 0.005 0.000 0.242 274 I C 2.551 178.545 176.117 -0.204 0.000 1.091 274 I CA 1.303 62.433 61.300 -0.283 0.000 1.368 274 I CB -1.498 36.488 38.000 -0.023 0.000 1.058 274 I HN 0.248 nan 8.210 nan 0.000 0.410 275 L N 0.052 121.231 121.223 -0.073 0.000 2.083 275 L HA -0.168 4.175 4.340 0.005 0.000 0.209 275 L C 2.727 179.546 176.870 -0.086 0.000 1.083 275 L CA 1.223 56.028 54.840 -0.059 0.000 0.752 275 L CB -0.578 41.472 42.059 -0.015 0.000 0.899 275 L HN 0.223 nan 8.230 nan 0.000 0.433 276 R N 0.006 120.443 120.500 -0.106 0.000 2.153 276 R HA -0.054 4.289 4.340 0.005 0.000 0.218 276 R C 1.410 177.622 176.300 -0.146 0.000 1.072 276 R CA 1.360 57.402 56.100 -0.097 0.000 0.990 276 R CB -0.103 30.165 30.300 -0.053 0.000 0.889 276 R HN 0.494 nan 8.270 nan 0.000 0.452 277 N N -0.214 118.319 118.700 -0.278 0.000 2.382 277 N HA 0.112 4.854 4.740 0.005 0.000 0.200 277 N C -0.234 175.129 175.510 -0.246 0.000 1.122 277 N CA 0.049 52.923 53.050 -0.293 0.000 0.870 277 N CB 0.521 38.720 38.487 -0.481 0.000 1.176 277 N HN 0.033 nan 8.380 nan 0.000 0.474 278 A N 1.023 123.682 122.820 -0.268 0.000 2.462 278 A HA 0.344 4.667 4.320 0.005 0.000 0.243 278 A C 0.301 177.850 177.584 -0.058 0.000 1.076 278 A CA 0.480 52.418 52.037 -0.165 0.000 0.773 278 A CB 0.314 19.217 19.000 -0.163 0.000 1.010 278 A HN 0.150 nan 8.150 nan 0.000 0.493 279 K N 0.416 120.826 120.400 0.017 0.000 2.126 279 K HA 0.392 4.715 4.320 0.005 0.000 0.245 279 K C -0.372 176.309 176.600 0.134 0.000 1.068 279 K CA -0.974 55.390 56.287 0.127 0.000 0.877 279 K CB 1.186 33.837 32.500 0.252 0.000 1.406 279 K HN 0.671 nan 8.250 nan 0.000 0.490 280 K N 1.413 121.904 120.400 0.152 0.000 2.484 280 K HA -0.061 4.262 4.320 0.005 0.000 0.280 280 K C 0.789 177.352 176.600 -0.062 0.000 1.013 280 K CA 0.517 56.749 56.287 -0.092 0.000 1.029 280 K CB 0.537 32.757 32.500 -0.466 0.000 0.902 280 K HN 0.679 nan 8.250 nan 0.000 0.481 281 T N -0.729 113.800 114.554 -0.041 0.000 2.929 281 T HA -0.180 4.173 4.350 0.005 0.000 0.271 281 T C 1.812 176.498 174.700 -0.022 0.000 1.085 281 T CA 1.510 63.609 62.100 -0.001 0.000 1.125 281 T CB -0.256 68.625 68.868 0.023 0.000 0.874 281 T HN 0.626 nan 8.240 nan 0.000 0.494 282 S N 0.673 116.303 115.700 -0.116 0.000 2.442 282 S HA -0.126 4.347 4.470 0.005 0.000 0.236 282 S C 1.699 176.257 174.600 -0.071 0.000 1.007 282 S CA 0.474 58.608 58.200 -0.111 0.000 0.965 282 S CB -1.206 61.882 63.200 -0.187 0.000 0.773 282 S HN 0.739 nan 8.310 nan 0.000 0.504 283 Y N 1.226 121.538 120.300 0.020 0.000 2.571 283 Y HA 0.240 4.792 4.550 0.005 0.000 0.294 283 Y C 1.901 177.808 175.900 0.011 0.000 1.141 283 Y CA 0.127 58.235 58.100 0.013 0.000 1.308 283 Y CB -0.261 38.200 38.460 0.002 0.000 1.002 283 Y HN 0.260 nan 8.280 nan 0.000 0.551 284 L N -0.112 121.196 121.223 0.142 0.000 2.552 284 L HA -0.104 4.238 4.340 0.005 0.000 0.227 284 L C 2.376 179.285 176.870 0.066 0.000 1.146 284 L CA 1.076 55.967 54.840 0.085 0.000 0.858 284 L CB -0.634 41.455 42.059 0.049 0.000 0.969 284 L HN 0.339 nan 8.230 nan 0.000 0.451 285 T N -3.569 111.030 114.554 0.074 0.000 2.915 285 T HA -0.196 4.157 4.350 0.005 0.000 0.269 285 T C 1.661 176.399 174.700 0.063 0.000 1.071 285 T CA 1.153 63.286 62.100 0.055 0.000 1.132 285 T CB -0.046 68.855 68.868 0.055 0.000 0.878 285 T HN 0.183 nan 8.240 nan 0.000 0.479 286 E N 1.104 121.352 120.200 0.080 0.000 2.106 286 E HA -0.040 4.313 4.350 0.005 0.000 0.192 286 E C 1.899 178.533 176.600 0.058 0.000 0.984 286 E CA 0.680 57.121 56.400 0.068 0.000 0.806 286 E CB -0.722 29.018 29.700 0.067 0.000 0.750 286 E HN 0.464 nan 8.360 nan 0.000 0.458 287 L N 0.108 121.362 121.223 0.052 0.000 2.093 287 L HA 0.021 4.364 4.340 0.005 0.000 0.208 287 L C 2.146 179.055 176.870 0.064 0.000 1.085 287 L CA 1.428 56.292 54.840 0.040 0.000 0.755 287 L CB -0.388 41.681 42.059 0.017 0.000 0.904 287 L HN 0.240 nan 8.230 nan 0.000 0.435 288 I N -0.488 120.119 120.570 0.060 0.000 2.179 288 I HA -0.278 3.895 4.170 0.005 0.000 0.242 288 I C 1.977 178.167 176.117 0.122 0.000 1.088 288 I CA 1.373 62.723 61.300 0.084 0.000 1.357 288 I CB -0.482 37.541 38.000 0.038 0.000 1.051 288 I HN 0.231 nan 8.210 nan 0.000 0.409 289 D N 0.379 120.828 120.400 0.082 0.000 2.144 289 D HA -0.200 4.443 4.640 0.005 0.000 0.199 289 D C 2.172 178.526 176.300 0.091 0.000 0.984 289 D CA 0.959 55.003 54.000 0.073 0.000 0.834 289 D CB -0.338 40.495 40.800 0.055 0.000 0.955 289 D HN 0.223 nan 8.370 nan 0.000 0.465 290 R N -0.559 120.001 120.500 0.100 0.000 2.105 290 R HA -0.208 4.135 4.340 0.005 0.000 0.239 290 R C 2.232 178.632 176.300 0.167 0.000 1.135 290 R CA 1.039 57.205 56.100 0.109 0.000 0.967 290 R CB -0.345 30.003 30.300 0.080 0.000 0.861 290 R HN 0.240 nan 8.270 nan 0.000 0.442 291 Y N 1.383 121.717 120.300 0.056 0.000 2.263 291 Y HA -0.088 4.464 4.550 0.004 0.000 0.292 291 Y C 1.790 177.798 175.900 0.180 0.000 1.130 291 Y CA 1.343 59.496 58.100 0.089 0.000 1.179 291 Y CB 0.092 38.562 38.460 0.018 0.000 0.998 291 Y HN -0.086 nan 8.280 nan 0.000 0.532 292 K N 0.357 120.749 120.400 -0.014 0.000 2.026 292 K HA -0.153 4.170 4.320 0.005 0.000 0.208 292 K C 2.173 178.731 176.600 -0.069 0.000 1.048 292 K CA 1.579 57.809 56.287 -0.095 0.000 0.929 292 K CB -0.307 32.199 32.500 0.011 0.000 0.713 292 K HN 0.397 nan 8.250 nan 0.000 0.439 293 R N -0.281 120.227 120.500 0.014 0.000 2.073 293 R HA -0.173 4.170 4.340 0.005 0.000 0.234 293 R C 2.200 178.518 176.300 0.029 0.000 1.134 293 R CA 1.660 57.772 56.100 0.021 0.000 0.952 293 R CB -0.508 29.822 30.300 0.051 0.000 0.850 293 R HN 0.313 nan 8.270 nan 0.000 0.433 294 W N 2.456 123.685 121.300 -0.118 0.000 2.318 294 W HA -0.275 4.387 4.660 0.004 0.000 0.313 294 W C 2.173 178.588 176.519 -0.174 0.000 1.221 294 W CA 1.788 59.064 57.345 -0.114 0.000 1.266 294 W CB -0.134 29.283 29.460 -0.073 0.000 1.150 294 W HN -0.120 nan 8.180 nan 0.000 0.496 295 K N 0.828 121.177 120.400 -0.085 0.000 2.283 295 K HA -0.005 4.317 4.320 0.005 0.000 0.202 295 K C 1.524 177.964 176.600 -0.266 0.000 1.048 295 K CA 1.391 57.510 56.287 -0.281 0.000 0.948 295 K CB -0.705 31.556 32.500 -0.398 0.000 0.742 295 K HN 0.073 nan 8.250 nan 0.000 0.458 296 A N 0.293 122.995 122.820 -0.196 0.000 2.346 296 A HA 0.154 4.477 4.320 0.005 0.000 0.242 296 A C -0.009 177.471 177.584 -0.173 0.000 1.323 296 A CA 0.144 52.093 52.037 -0.147 0.000 0.940 296 A CB -0.264 18.683 19.000 -0.089 0.000 0.943 296 A HN 0.298 nan 8.150 nan 0.000 0.501 297 E N -0.310 119.725 120.200 -0.275 0.000 3.918 297 E HA 0.139 4.491 4.350 0.005 0.000 0.183 297 E C -0.471 175.915 176.600 -0.356 0.000 1.021 297 E CA -0.070 56.163 56.400 -0.278 0.000 1.431 297 E CB 0.296 29.830 29.700 -0.276 0.000 1.140 297 E HN 0.497 nan 8.360 nan 0.000 0.435 298 Q N 0.000 119.610 119.800 -0.317 0.000 2.315 298 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 298 Q CA 0.000 55.627 55.803 -0.294 0.000 1.022 298 Q CB 0.000 28.520 28.738 -0.363 0.000 1.108 298 Q HN 0.000 nan 8.270 nan 0.000 0.481