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 2btq_1_B DATA FIRST_RESID 2 DATA SEQUENCE REILSIHVGQ CGNQIADSFW RLALREHGLT EAGTLKEXXX XXXXSNMEVF DATA SEQUENCE FHKVRDGKYV PRAVLVDLEP XXXXXXXXXX XXQLFDESSI VRKIPGAANN DATA SEQUENCE WARGYNVEGE KVIDQIMNVI DSAVEKTKGL QGFLMTHSIG GGSGSGLGSL DATA SEQUENCE ILERLRQAYP KKRIFTFSVV PSPLISDSAV EPYNAILTLQ RILDNADGAV DATA SEQUENCE LLDNEALFRI AKAKLNRSPN YMDLNNIIAL IVSSVTASLR FPGKLNTDLS DATA SEQUENCE EFVTNLVPFP GNHFLTASFA PMXXXXXXXX XXXNFPDLAR ETFAQDNFTA DATA SEQUENCE AIDWQQGVYL AASALFRGDX XXXDVDENMA TIRKSLNYAS YMPASGGLKL DATA SEQUENCE GYAETAPEGF ASSGLALVNH TGIAAVFERL IAQFDIMFDN HAYTHWYENA DATA SEQUENCE GVSRDMMAKA RNQIATLAQS YRDAS 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.324 176.300 0.041 0.000 0.893 2 R CA 0.000 56.114 56.100 0.023 0.000 0.921 2 R CB 0.000 30.325 30.300 0.042 0.000 0.687 3 E N 1.371 121.576 120.200 0.009 0.000 2.249 3 E HA 0.507 4.857 4.350 -0.000 0.000 0.280 3 E C -0.356 176.203 176.600 -0.069 0.000 1.016 3 E CA -0.546 55.864 56.400 0.016 0.000 0.830 3 E CB 1.746 31.459 29.700 0.022 0.000 1.081 3 E HN 0.234 nan 8.360 nan 0.000 0.395 4 I N 3.633 124.158 120.570 -0.076 0.000 2.382 4 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 4 I C -0.549 175.437 176.117 -0.218 0.000 1.002 4 I CA -0.699 60.477 61.300 -0.207 0.000 1.135 4 I CB 0.978 38.824 38.000 -0.257 0.000 1.288 4 I HN 0.351 nan 8.210 nan 0.000 0.448 5 L N 5.841 126.963 121.223 -0.168 0.000 2.305 5 L HA 0.418 4.758 4.340 -0.000 0.000 0.281 5 L C -0.217 176.687 176.870 0.057 0.000 1.085 5 L CA 0.106 54.955 54.840 0.015 0.000 0.813 5 L CB 1.255 43.441 42.059 0.211 0.000 1.157 5 L HN 0.614 nan 8.230 nan 0.000 0.436 6 S N 6.168 121.885 115.700 0.029 0.000 2.475 6 S HA 0.610 5.080 4.470 -0.000 0.000 0.298 6 S C -0.356 174.140 174.600 -0.173 0.000 1.119 6 S CA -0.556 57.612 58.200 -0.054 0.000 1.085 6 S CB 1.694 64.937 63.200 0.072 0.000 1.028 6 S HN 0.458 nan 8.310 nan 0.000 0.489 7 I N 3.887 124.279 120.570 -0.296 0.000 2.410 7 I HA 0.326 4.496 4.170 -0.000 0.000 0.286 7 I C -0.669 175.204 176.117 -0.406 0.000 1.009 7 I CA -0.590 60.537 61.300 -0.288 0.000 1.111 7 I CB 1.146 39.051 38.000 -0.158 0.000 1.262 7 I HN 0.560 nan 8.210 nan 0.000 0.443 8 H N 5.804 124.898 119.070 0.039 0.000 2.511 8 H HA 0.512 5.068 4.556 -0.000 0.000 0.328 8 H C -0.649 174.692 175.328 0.022 0.000 1.044 8 H CA -0.628 55.450 56.048 0.050 0.000 1.212 8 H CB 2.713 32.517 29.762 0.069 0.000 1.428 8 H HN 0.388 nan 8.280 nan 0.000 0.483 9 V N 1.374 121.375 119.914 0.144 0.000 2.588 9 V HA 0.816 4.936 4.120 -0.000 0.000 0.304 9 V C 0.191 176.357 176.094 0.121 0.000 1.042 9 V CA 0.590 62.949 62.300 0.098 0.000 0.877 9 V CB 1.259 33.116 31.823 0.057 0.000 0.996 9 V HN 1.145 nan 8.190 nan 0.000 0.425 10 G N 3.752 112.596 108.800 0.073 0.000 2.712 10 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.683 10 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.683 10 G C 0.146 175.081 174.900 0.058 0.000 1.320 10 G CA 0.536 45.673 45.100 0.062 0.000 0.847 10 G HN 1.228 nan 8.290 nan 0.000 0.553 11 Q N -1.085 118.740 119.800 0.042 0.000 1.975 11 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 11 Q C 2.948 178.988 176.000 0.066 0.000 0.990 11 Q CA 2.907 58.731 55.803 0.036 0.000 0.845 11 Q CB -0.447 28.300 28.738 0.016 0.000 0.913 11 Q HN 0.967 nan 8.270 nan 0.000 0.420 12 C N 0.127 119.481 119.300 0.089 0.000 2.411 12 C HA -0.102 4.358 4.460 -0.000 0.000 0.279 12 C C 2.604 177.670 174.990 0.127 0.000 1.288 12 C CA 1.137 60.225 59.018 0.118 0.000 1.764 12 C CB -1.481 26.335 27.740 0.126 0.000 1.974 12 C HN 0.756 nan 8.230 nan 0.000 0.498 13 G N 0.362 109.249 108.800 0.144 0.000 2.433 13 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 13 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 13 G C 1.408 176.404 174.900 0.160 0.000 1.186 13 G CA 1.249 46.465 45.100 0.194 0.000 0.779 13 G HN 0.645 nan 8.290 nan 0.000 0.543 14 N N -0.091 118.666 118.700 0.096 0.000 2.331 14 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 14 N C 2.045 177.563 175.510 0.014 0.000 1.019 14 N CA 0.927 53.987 53.050 0.017 0.000 0.881 14 N CB -0.163 38.315 38.487 -0.015 0.000 0.972 14 N HN 0.279 nan 8.380 nan 0.000 0.435 15 Q N 0.737 120.568 119.800 0.051 0.000 2.061 15 Q HA -0.037 4.303 4.340 -0.000 0.000 0.204 15 Q C 1.642 177.683 176.000 0.069 0.000 0.984 15 Q CA 1.290 57.131 55.803 0.063 0.000 0.846 15 Q CB -0.152 28.636 28.738 0.084 0.000 0.902 15 Q HN 0.279 nan 8.270 nan 0.000 0.421 16 I N 0.336 120.948 120.570 0.070 0.000 2.179 16 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 16 I C 2.208 178.363 176.117 0.063 0.000 1.088 16 I CA 1.328 62.665 61.300 0.062 0.000 1.357 16 I CB -1.890 36.143 38.000 0.055 0.000 1.051 16 I HN 0.280 nan 8.210 nan 0.000 0.409 17 A N 1.182 123.975 122.820 -0.044 0.000 1.870 17 A HA -0.351 3.969 4.320 -0.000 0.000 0.219 17 A C 2.226 179.977 177.584 0.279 0.000 1.224 17 A CA 2.564 54.513 52.037 -0.147 0.000 0.650 17 A CB -1.204 17.456 19.000 -0.567 0.000 0.836 17 A HN 0.548 nan 8.150 nan 0.000 0.454 18 D N -0.661 119.854 120.400 0.192 0.000 2.242 18 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 18 D C 2.119 178.555 176.300 0.226 0.000 1.005 18 D CA 2.344 56.494 54.000 0.249 0.000 0.856 18 D CB -0.320 40.569 40.800 0.149 0.000 1.001 18 D HN 0.364 nan 8.370 nan 0.000 0.452 19 S N -0.295 115.495 115.700 0.150 0.000 2.378 19 S HA -0.233 4.237 4.470 -0.000 0.000 0.229 19 S C 1.739 176.408 174.600 0.114 0.000 1.052 19 S CA 1.647 59.915 58.200 0.114 0.000 1.084 19 S CB -0.819 62.432 63.200 0.086 0.000 0.950 19 S HN 0.464 nan 8.310 nan 0.000 0.440 20 F N 0.881 120.815 119.950 -0.027 0.000 2.031 20 F HA -0.099 4.428 4.527 -0.000 0.000 0.295 20 F C 1.873 177.603 175.800 -0.116 0.000 1.133 20 F CA 1.278 59.193 58.000 -0.141 0.000 1.188 20 F CB -0.890 37.933 39.000 -0.296 0.000 0.974 20 F HN 0.208 nan 8.300 nan 0.000 0.473 21 W N 1.341 122.526 121.300 -0.192 0.000 2.424 21 W HA -0.136 4.524 4.660 -0.000 0.000 0.264 21 W C 2.737 179.152 176.519 -0.173 0.000 1.229 21 W CA 1.497 58.670 57.345 -0.286 0.000 1.208 21 W CB -0.457 29.016 29.460 0.021 0.000 1.127 21 W HN 0.067 nan 8.180 nan 0.000 0.588 22 R N 1.146 121.697 120.500 0.085 0.000 2.109 22 R HA -0.199 4.141 4.340 -0.000 0.000 0.227 22 R C 1.987 178.296 176.300 0.014 0.000 1.132 22 R CA 2.391 58.532 56.100 0.069 0.000 0.907 22 R CB -0.896 29.443 30.300 0.065 0.000 0.825 22 R HN 0.101 nan 8.270 nan 0.000 0.432 23 L N 0.094 121.294 121.223 -0.039 0.000 2.353 23 L HA 0.067 4.407 4.340 -0.000 0.000 0.220 23 L C 2.419 179.244 176.870 -0.075 0.000 1.133 23 L CA 1.653 56.473 54.840 -0.033 0.000 0.798 23 L CB -2.063 39.987 42.059 -0.014 0.000 0.922 23 L HN 0.351 nan 8.230 nan 0.000 0.445 24 A N 1.175 123.851 122.820 -0.240 0.000 1.940 24 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 24 A C 2.436 180.197 177.584 0.296 0.000 1.176 24 A CA 1.686 53.586 52.037 -0.229 0.000 0.631 24 A CB -0.490 18.085 19.000 -0.708 0.000 0.814 24 A HN 0.475 nan 8.150 nan 0.000 0.446 25 L N -2.175 119.189 121.223 0.235 0.000 2.022 25 L HA -0.046 4.294 4.340 -0.000 0.000 0.204 25 L C 2.667 179.589 176.870 0.088 0.000 1.076 25 L CA 1.265 56.214 54.840 0.181 0.000 0.749 25 L CB -0.605 41.540 42.059 0.143 0.000 0.903 25 L HN 0.207 nan 8.230 nan 0.000 0.439 26 R N 0.675 121.213 120.500 0.063 0.000 2.140 26 R HA -0.212 4.128 4.340 -0.000 0.000 0.250 26 R C 2.137 178.459 176.300 0.037 0.000 1.150 26 R CA 1.674 57.798 56.100 0.040 0.000 0.966 26 R CB -0.364 29.957 30.300 0.036 0.000 0.869 26 R HN 0.406 nan 8.270 nan 0.000 0.445 27 E N -1.218 119.012 120.200 0.050 0.000 2.031 27 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 27 E C 1.566 178.157 176.600 -0.015 0.000 0.994 27 E CA 1.181 57.601 56.400 0.032 0.000 0.800 27 E CB -0.214 29.505 29.700 0.032 0.000 0.752 27 E HN 0.576 nan 8.360 nan 0.000 0.447 28 H N -0.586 118.507 119.070 0.039 0.000 2.556 28 H HA 0.059 4.615 4.556 -0.000 0.000 0.268 28 H C 0.998 176.254 175.328 -0.120 0.000 0.996 28 H CA 0.770 56.786 56.048 -0.053 0.000 1.157 28 H CB 0.314 29.911 29.762 -0.274 0.000 1.355 28 H HN 0.365 nan 8.280 nan 0.000 0.597 29 G N 1.290 110.095 108.800 0.008 0.000 2.249 29 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 29 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 29 G C 0.188 175.069 174.900 -0.031 0.000 1.036 29 G CA 0.172 45.264 45.100 -0.014 0.000 0.824 29 G HN 0.283 nan 8.290 nan 0.000 0.504 30 L N -0.362 120.830 121.223 -0.052 0.000 2.399 30 L HA 0.617 4.956 4.340 -0.000 0.000 0.265 30 L C 1.274 178.140 176.870 -0.006 0.000 1.089 30 L CA -0.479 54.327 54.840 -0.056 0.000 0.802 30 L CB 1.437 43.409 42.059 -0.145 0.000 1.180 30 L HN 0.248 nan 8.230 nan 0.000 0.454 31 T N -0.675 113.884 114.554 0.008 0.000 2.754 31 T HA 0.015 4.365 4.350 -0.000 0.000 0.286 31 T C 1.041 175.751 174.700 0.018 0.000 0.997 31 T CA -0.176 61.932 62.100 0.014 0.000 0.982 31 T CB 1.045 69.921 68.868 0.014 0.000 1.027 31 T HN 0.692 nan 8.240 nan 0.000 0.529 32 E N 0.924 121.133 120.200 0.015 0.000 2.187 32 E HA -0.114 4.235 4.350 -0.000 0.000 0.199 32 E C 1.763 178.362 176.600 -0.003 0.000 1.004 32 E CA 1.796 58.202 56.400 0.010 0.000 0.813 32 E CB -0.325 29.382 29.700 0.011 0.000 0.736 32 E HN 0.647 nan 8.360 nan 0.000 0.468 33 A N -1.309 121.513 122.820 0.003 0.000 2.308 33 A HA 0.448 4.768 4.320 -0.000 0.000 0.217 33 A C 1.237 178.829 177.584 0.013 0.000 1.216 33 A CA 0.575 52.611 52.037 -0.002 0.000 0.864 33 A CB 0.068 19.070 19.000 0.002 0.000 0.902 33 A HN 0.298 nan 8.150 nan 0.000 0.499 34 G N -0.232 108.587 108.800 0.032 0.000 2.467 34 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.242 34 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.242 34 G C -0.073 174.883 174.900 0.094 0.000 1.127 34 G CA 0.062 45.206 45.100 0.073 0.000 0.924 34 G HN 0.765 nan 8.290 nan 0.000 0.499 35 T N -0.088 114.504 114.554 0.064 0.000 2.906 35 T HA 0.672 5.022 4.350 -0.000 0.000 0.295 35 T C 0.318 175.052 174.700 0.057 0.000 1.075 35 T CA -0.862 61.278 62.100 0.067 0.000 1.005 35 T CB 2.008 70.894 68.868 0.031 0.000 1.136 35 T HN 0.406 nan 8.240 nan 0.000 0.498 36 L N 2.206 123.468 121.223 0.066 0.000 2.361 36 L HA 0.358 4.698 4.340 -0.000 0.000 0.278 36 L C 1.100 177.983 176.870 0.021 0.000 1.113 36 L CA -0.466 54.399 54.840 0.041 0.000 0.849 36 L CB 0.502 42.594 42.059 0.056 0.000 1.155 36 L HN 0.527 nan 8.230 nan 0.000 0.452 37 K N 2.748 123.154 120.400 0.010 0.000 2.627 37 K HA 0.073 4.393 4.320 -0.000 0.000 0.212 37 K C 0.406 177.007 176.600 0.003 0.000 1.041 37 K CA 0.071 56.361 56.287 0.006 0.000 1.205 37 K CB -0.084 32.418 32.500 0.004 0.000 0.936 37 K HN 0.577 nan 8.250 nan 0.000 0.489 47 N N 2.030 120.803 118.700 0.122 0.000 2.527 47 N HA 0.381 5.121 4.740 -0.000 0.000 0.236 47 N C 0.768 176.363 175.510 0.142 0.000 0.999 47 N CA -0.254 52.861 53.050 0.108 0.000 0.935 47 N CB 0.333 38.876 38.487 0.093 0.000 1.132 47 N HN 0.702 nan 8.380 nan 0.000 0.511 48 M N 0.848 120.506 119.600 0.097 0.000 2.331 48 M HA 0.236 4.716 4.480 -0.000 0.000 0.266 48 M C 1.084 177.457 176.300 0.122 0.000 1.055 48 M CA 0.158 55.494 55.300 0.059 0.000 1.048 48 M CB 0.132 32.633 32.600 -0.165 0.000 1.460 48 M HN 0.207 nan 8.290 nan 0.000 0.519 49 E N 1.439 121.709 120.200 0.118 0.000 2.533 49 E HA -0.049 4.301 4.350 -0.000 0.000 0.203 49 E C 1.218 177.950 176.600 0.219 0.000 1.101 49 E CA 0.339 56.848 56.400 0.182 0.000 0.894 49 E CB -0.015 29.771 29.700 0.144 0.000 0.843 49 E HN 0.483 nan 8.360 nan 0.000 0.552 50 V N -0.086 119.980 119.914 0.252 0.000 2.649 50 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 50 V C 1.176 177.553 176.094 0.472 0.000 1.054 50 V CA 1.174 63.662 62.300 0.314 0.000 1.073 50 V CB -0.240 31.781 31.823 0.331 0.000 0.699 50 V HN 0.348 nan 8.190 nan 0.000 0.463 51 F N -1.942 118.070 119.950 0.104 0.000 2.557 51 F HA 0.422 4.949 4.527 -0.000 0.000 0.278 51 F C 0.867 176.691 175.800 0.040 0.000 1.051 51 F CA -0.904 57.126 58.000 0.051 0.000 1.357 51 F CB -0.112 38.801 39.000 -0.145 0.000 1.104 51 F HN -0.009 nan 8.300 nan 0.000 0.654 52 F N -0.534 119.620 119.950 0.341 0.000 2.408 52 F HA 0.322 4.848 4.527 -0.000 0.000 0.325 52 F C 0.559 176.528 175.800 0.283 0.000 1.082 52 F CA -0.919 57.242 58.000 0.268 0.000 1.032 52 F CB 0.285 39.353 39.000 0.114 0.000 1.259 52 F HN -0.171 nan 8.300 nan 0.000 0.503 53 H N 2.265 121.566 119.070 0.385 0.000 2.551 53 H HA 0.210 4.766 4.556 -0.000 0.000 0.321 53 H C -0.744 174.759 175.328 0.291 0.000 1.028 53 H CA -0.794 55.417 56.048 0.272 0.000 1.215 53 H CB 1.206 31.054 29.762 0.144 0.000 1.414 53 H HN 0.624 nan 8.280 nan 0.000 0.480 54 K N 5.018 125.363 120.400 -0.091 0.000 2.363 54 K HA 0.106 4.426 4.320 -0.000 0.000 0.289 54 K C 0.309 176.666 176.600 -0.405 0.000 1.063 54 K CA -0.219 55.905 56.287 -0.271 0.000 0.967 54 K CB 0.578 33.006 32.500 -0.121 0.000 0.987 54 K HN 0.424 nan 8.250 nan 0.000 0.473 55 V N 4.351 124.116 119.914 -0.248 0.000 2.492 55 V HA 0.075 4.195 4.120 -0.000 0.000 0.241 55 V C 0.839 176.861 176.094 -0.121 0.000 1.041 55 V CA 0.719 62.976 62.300 -0.071 0.000 1.057 55 V CB -0.353 31.478 31.823 0.015 0.000 0.711 55 V HN 0.751 nan 8.190 nan 0.000 0.468 56 R N -0.660 119.719 120.500 -0.202 0.000 2.781 56 R HA 0.294 4.634 4.340 -0.000 0.000 0.269 56 R C 0.427 176.594 176.300 -0.222 0.000 1.025 56 R CA -0.617 55.388 56.100 -0.159 0.000 0.914 56 R CB 0.789 31.026 30.300 -0.104 0.000 1.236 56 R HN -0.060 nan 8.270 nan 0.000 0.465 57 D N 0.704 121.021 120.400 -0.139 0.000 2.565 57 D HA -0.200 4.440 4.640 -0.000 0.000 0.189 57 D C 0.948 177.162 176.300 -0.144 0.000 1.052 57 D CA 2.453 56.386 54.000 -0.111 0.000 0.889 57 D CB -0.023 40.741 40.800 -0.059 0.000 0.911 57 D HN 0.751 nan 8.370 nan 0.000 0.464 58 G N -1.029 107.671 108.800 -0.167 0.000 4.238 58 G HA2 0.175 4.135 3.960 -0.000 0.000 0.292 58 G HA3 0.175 4.135 3.960 -0.000 0.000 0.292 58 G C -0.057 174.720 174.900 -0.205 0.000 1.036 58 G CA -0.400 44.623 45.100 -0.129 0.000 0.812 58 G HN 0.170 nan 8.290 nan 0.000 0.489 59 K N 0.639 120.784 120.400 -0.425 0.000 2.292 59 K HA 0.665 4.985 4.320 -0.000 0.000 0.257 59 K C -1.576 174.683 176.600 -0.570 0.000 0.940 59 K CA -0.732 55.364 56.287 -0.319 0.000 0.811 59 K CB 1.528 33.929 32.500 -0.165 0.000 1.120 59 K HN 0.092 nan 8.250 nan 0.000 0.428 60 Y N 1.253 121.567 120.300 0.024 0.000 2.492 60 Y HA 0.460 5.009 4.550 -0.000 0.000 0.346 60 Y C -0.724 175.254 175.900 0.129 0.000 0.997 60 Y CA -1.013 57.134 58.100 0.078 0.000 1.025 60 Y CB 2.302 40.784 38.460 0.036 0.000 1.263 60 Y HN 0.102 nan 8.280 nan 0.000 0.454 61 V N 3.529 123.649 119.914 0.343 0.000 2.588 61 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 61 V C -2.526 173.668 176.094 0.166 0.000 1.042 61 V CA -2.667 59.747 62.300 0.189 0.000 0.877 61 V CB 2.206 34.091 31.823 0.105 0.000 0.996 61 V HN 0.525 nan 8.190 nan 0.000 0.425 62 P HA 0.100 nan 4.420 nan 0.000 0.260 62 P C -0.355 176.766 177.300 -0.299 0.000 1.185 62 P CA 0.148 62.941 63.100 -0.511 0.000 0.763 62 P CB 0.172 31.061 31.700 -1.351 0.000 0.776 63 R N 3.055 123.508 120.500 -0.079 0.000 2.878 63 R HA 0.479 4.819 4.340 -0.000 0.000 0.239 63 R C -0.005 176.316 176.300 0.034 0.000 1.515 63 R CA 0.029 56.145 56.100 0.025 0.000 1.210 63 R CB -0.193 30.164 30.300 0.095 0.000 1.209 63 R HN 0.450 nan 8.270 nan 0.000 0.610 64 A N 1.259 124.068 122.820 -0.017 0.000 2.589 64 A HA 0.471 4.791 4.320 -0.000 0.000 0.296 64 A C -0.836 176.764 177.584 0.027 0.000 1.062 64 A CA -0.827 51.247 52.037 0.062 0.000 0.686 64 A CB 1.510 20.618 19.000 0.179 0.000 1.282 64 A HN 0.278 nan 8.150 nan 0.000 0.404 65 V N -0.030 119.895 119.914 0.018 0.000 2.417 65 V HA 0.720 4.840 4.120 -0.000 0.000 0.291 65 V C -0.429 175.656 176.094 -0.017 0.000 1.024 65 V CA -0.683 61.606 62.300 -0.018 0.000 0.861 65 V CB 1.193 33.000 31.823 -0.026 0.000 0.985 65 V HN 0.713 nan 8.190 nan 0.000 0.436 66 L N 5.445 126.620 121.223 -0.080 0.000 2.270 66 L HA 0.503 4.843 4.340 -0.000 0.000 0.286 66 L C -0.065 176.768 176.870 -0.062 0.000 1.059 66 L CA -0.391 54.394 54.840 -0.092 0.000 0.839 66 L CB 1.448 43.353 42.059 -0.257 0.000 1.221 66 L HN 0.690 nan 8.230 nan 0.000 0.431 67 V N 4.433 124.332 119.914 -0.025 0.000 2.472 67 V HA 0.241 4.361 4.120 -0.000 0.000 0.290 67 V C 0.376 176.458 176.094 -0.020 0.000 1.037 67 V CA -0.165 62.117 62.300 -0.031 0.000 0.908 67 V CB 1.436 33.238 31.823 -0.036 0.000 0.985 67 V HN 0.890 nan 8.190 nan 0.000 0.454 68 D N 3.921 124.303 120.400 -0.030 0.000 2.927 68 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 68 D C -1.024 175.263 176.300 -0.022 0.000 1.163 68 D CA 0.715 54.700 54.000 -0.025 0.000 0.801 68 D CB -0.175 40.614 40.800 -0.019 0.000 0.975 68 D HN 0.521 nan 8.370 nan 0.000 0.413 69 L N 1.503 122.705 121.223 -0.035 0.000 2.334 69 L HA 0.700 5.040 4.340 -0.000 0.000 0.276 69 L C -0.650 176.198 176.870 -0.036 0.000 1.014 69 L CA -0.365 54.450 54.840 -0.042 0.000 0.815 69 L CB 1.832 43.845 42.059 -0.077 0.000 1.268 69 L HN 0.313 nan 8.230 nan 0.000 0.428 70 E N 5.640 125.823 120.200 -0.028 0.000 2.528 70 E HA 0.421 4.771 4.350 -0.000 0.000 0.277 70 E C -2.212 174.378 176.600 -0.017 0.000 0.980 70 E CA -1.085 55.301 56.400 -0.023 0.000 0.796 70 E CB 1.244 30.931 29.700 -0.022 0.000 1.427 70 E HN 0.696 nan 8.360 nan 0.000 0.394 85 L N 4.812 126.048 121.223 0.022 0.000 2.949 85 L HA 0.441 4.781 4.340 -0.000 0.000 0.258 85 L C -1.679 175.121 176.870 -0.117 0.000 0.941 85 L CA -0.285 54.574 54.840 0.031 0.000 1.053 85 L CB 1.120 43.178 42.059 -0.002 0.000 1.550 85 L HN 0.553 nan 8.230 nan 0.000 0.493 86 F N 0.416 120.326 119.950 -0.067 0.000 2.613 86 F HA 0.383 4.910 4.527 -0.000 0.000 0.342 86 F C 0.632 176.387 175.800 -0.074 0.000 1.066 86 F CA -0.921 57.015 58.000 -0.108 0.000 1.002 86 F CB 0.739 39.648 39.000 -0.152 0.000 1.319 86 F HN 0.301 nan 8.300 nan 0.000 0.495 87 D N 1.414 121.890 120.400 0.126 0.000 2.357 87 D HA -0.019 4.621 4.640 -0.000 0.000 0.265 87 D C 0.848 177.173 176.300 0.042 0.000 1.334 87 D CA 0.082 54.110 54.000 0.047 0.000 0.984 87 D CB 0.148 40.948 40.800 0.000 0.000 1.077 87 D HN 0.677 nan 8.370 nan 0.000 0.514 88 E N 1.260 121.484 120.200 0.039 0.000 2.527 88 E HA -0.078 4.272 4.350 -0.000 0.000 0.204 88 E C 0.495 177.094 176.600 -0.001 0.000 1.132 88 E CA 0.260 56.671 56.400 0.017 0.000 0.905 88 E CB 0.080 29.791 29.700 0.019 0.000 0.875 88 E HN 0.132 nan 8.360 nan 0.000 0.548 89 S N 0.236 115.934 115.700 -0.004 0.000 2.497 89 S HA -0.015 4.455 4.470 -0.000 0.000 0.218 89 S C 1.171 175.760 174.600 -0.017 0.000 1.023 89 S CA 0.305 58.498 58.200 -0.011 0.000 0.913 89 S CB 0.630 63.823 63.200 -0.012 0.000 0.800 89 S HN 0.414 nan 8.310 nan 0.000 0.505 90 S N 1.365 117.054 115.700 -0.018 0.000 2.525 90 S HA 0.557 5.027 4.470 -0.000 0.000 0.242 90 S C -0.290 174.288 174.600 -0.036 0.000 1.164 90 S CA -0.753 57.432 58.200 -0.024 0.000 1.154 90 S CB -0.655 62.530 63.200 -0.025 0.000 0.875 90 S HN 0.414 nan 8.310 nan 0.000 0.482 91 I N -1.113 119.432 120.570 -0.043 0.000 2.610 91 I HA 0.726 4.896 4.170 -0.000 0.000 0.289 91 I C -1.338 174.747 176.117 -0.053 0.000 1.163 91 I CA -0.997 60.262 61.300 -0.069 0.000 1.044 91 I CB 2.209 40.148 38.000 -0.101 0.000 1.251 91 I HN 0.020 nan 8.210 nan 0.000 0.424 92 V N 7.439 127.321 119.914 -0.054 0.000 2.347 92 V HA 0.627 4.747 4.120 -0.000 0.000 0.280 92 V C -0.073 175.995 176.094 -0.044 0.000 1.021 92 V CA -0.426 61.847 62.300 -0.044 0.000 0.847 92 V CB 1.077 32.875 31.823 -0.042 0.000 0.990 92 V HN 0.822 nan 8.190 nan 0.000 0.444 93 R N 4.878 125.355 120.500 -0.038 0.000 2.570 93 R HA 0.162 4.502 4.340 -0.000 0.000 0.277 93 R C 0.149 176.429 176.300 -0.033 0.000 1.039 93 R CA -0.187 55.892 56.100 -0.035 0.000 1.065 93 R CB 0.416 30.699 30.300 -0.028 0.000 0.964 93 R HN 0.849 nan 8.270 nan 0.000 0.428 94 K N 2.028 122.409 120.400 -0.031 0.000 2.355 94 K HA 0.060 4.380 4.320 -0.000 0.000 0.270 94 K C -0.567 176.016 176.600 -0.029 0.000 1.003 94 K CA -0.167 56.102 56.287 -0.030 0.000 0.957 94 K CB 0.435 32.918 32.500 -0.028 0.000 0.939 94 K HN 0.298 nan 8.250 nan 0.000 0.482 95 I N 6.202 126.753 120.570 -0.032 0.000 2.354 95 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 95 I C -2.154 173.944 176.117 -0.031 0.000 1.007 95 I CA -2.485 58.797 61.300 -0.030 0.000 1.167 95 I CB 0.986 38.967 38.000 -0.032 0.000 1.320 95 I HN 0.614 nan 8.210 nan 0.000 0.458 96 P HA 0.155 nan 4.420 nan 0.000 0.265 96 P C 0.939 178.221 177.300 -0.030 0.000 1.167 96 P CA 0.788 63.871 63.100 -0.028 0.000 0.760 96 P CB 0.474 32.160 31.700 -0.023 0.000 0.783 97 G N 0.783 109.562 108.800 -0.034 0.000 3.211 97 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.202 97 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.202 97 G C 1.123 175.995 174.900 -0.045 0.000 1.035 97 G CA 0.529 45.608 45.100 -0.035 0.000 0.846 97 G HN 0.651 nan 8.290 nan 0.000 0.464 98 A N 0.753 123.542 122.820 -0.051 0.000 1.902 98 A HA 0.532 4.852 4.320 -0.000 0.000 0.217 98 A C 2.294 179.837 177.584 -0.069 0.000 1.181 98 A CA 3.040 55.041 52.037 -0.060 0.000 0.623 98 A CB -0.840 18.128 19.000 -0.054 0.000 0.818 98 A HN 2.646 nan 8.150 nan 0.000 0.443 99 A N -1.014 121.763 122.820 -0.070 0.000 5.821 99 A HA -0.305 4.014 4.320 -0.000 0.000 0.282 99 A C 0.590 178.120 177.584 -0.089 0.000 2.032 99 A CA 1.311 53.291 52.037 -0.095 0.000 0.715 99 A CB -1.620 17.302 19.000 -0.129 0.000 1.178 99 A HN 0.744 nan 8.150 nan 0.000 0.370 100 N N 0.658 119.286 118.700 -0.121 0.000 2.238 100 N HA 0.128 4.868 4.740 -0.000 0.000 0.222 100 N C -0.224 175.251 175.510 -0.058 0.000 1.133 100 N CA 0.042 53.040 53.050 -0.086 0.000 0.854 100 N CB 0.156 38.568 38.487 -0.125 0.000 1.041 100 N HN 0.518 nan 8.380 nan 0.000 0.510 101 N N 0.431 119.071 118.700 -0.101 0.000 2.457 101 N HA 0.009 4.749 4.740 -0.000 0.000 0.250 101 N C 0.149 175.657 175.510 -0.003 0.000 0.982 101 N CA -0.389 52.568 53.050 -0.155 0.000 0.941 101 N CB 0.767 39.093 38.487 -0.269 0.000 1.120 101 N HN 0.277 nan 8.380 nan 0.000 0.505 102 W N 4.924 126.212 121.300 -0.020 0.000 2.333 102 W HA -0.192 4.467 4.660 -0.001 0.000 0.316 102 W C 1.848 178.421 176.519 0.090 0.000 1.215 102 W CA 2.443 59.848 57.345 0.100 0.000 1.278 102 W CB -0.203 29.397 29.460 0.233 0.000 1.154 102 W HN 0.698 nan 8.180 nan 0.000 0.486 103 A N 0.440 123.573 122.820 0.521 0.000 1.948 103 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 103 A C 1.918 179.543 177.584 0.069 0.000 1.177 103 A CA 2.246 54.520 52.037 0.396 0.000 0.636 103 A CB -0.926 18.271 19.000 0.329 0.000 0.815 103 A HN 0.418 nan 8.150 nan 0.000 0.449 104 R N -0.610 119.876 120.500 -0.023 0.000 2.092 104 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 104 R C 2.131 178.373 176.300 -0.097 0.000 1.119 104 R CA 1.594 57.661 56.100 -0.056 0.000 0.970 104 R CB -0.675 29.582 30.300 -0.071 0.000 0.864 104 R HN 0.435 nan 8.270 nan 0.000 0.440 105 G N -1.432 107.277 108.800 -0.151 0.000 2.453 105 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 105 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 105 G C 1.119 175.874 174.900 -0.242 0.000 1.147 105 G CA 0.322 45.309 45.100 -0.188 0.000 0.802 105 G HN 0.432 nan 8.290 nan 0.000 0.535 106 Y N 1.221 121.183 120.300 -0.564 0.000 2.544 106 Y HA 0.231 4.780 4.550 -0.000 0.000 0.286 106 Y C 1.697 177.425 175.900 -0.287 0.000 1.141 106 Y CA 0.610 58.361 58.100 -0.581 0.000 1.299 106 Y CB 0.041 37.784 38.460 -1.195 0.000 1.030 106 Y HN 0.278 nan 8.280 nan 0.000 0.543 107 N N -1.929 116.641 118.700 -0.217 0.000 2.374 107 N HA 0.044 4.784 4.740 -0.000 0.000 0.127 107 N C 1.325 176.755 175.510 -0.133 0.000 1.501 107 N CA 0.472 53.411 53.050 -0.185 0.000 1.119 107 N CB 0.104 38.564 38.487 -0.045 0.000 1.122 107 N HN -0.150 nan 8.380 nan 0.000 0.346 108 V N 2.349 122.220 119.914 -0.071 0.000 2.242 108 V HA -0.301 3.819 4.120 -0.000 0.000 0.257 108 V C 1.935 177.989 176.094 -0.066 0.000 1.073 108 V CA 1.929 64.197 62.300 -0.054 0.000 1.058 108 V CB -0.696 31.111 31.823 -0.026 0.000 0.664 108 V HN 0.435 nan 8.190 nan 0.000 0.451 109 E N 0.332 120.488 120.200 -0.073 0.000 2.122 109 E HA 0.000 4.350 4.350 -0.000 0.000 0.190 109 E C 2.367 178.912 176.600 -0.093 0.000 0.977 109 E CA 1.181 57.537 56.400 -0.073 0.000 0.820 109 E CB -0.652 29.008 29.700 -0.067 0.000 0.770 109 E HN 0.638 nan 8.360 nan 0.000 0.462 110 G N 1.322 110.047 108.800 -0.125 0.000 2.402 110 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 110 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 110 G C 1.589 176.403 174.900 -0.142 0.000 1.162 110 G CA 0.734 45.748 45.100 -0.144 0.000 0.777 110 G HN 0.198 nan 8.290 nan 0.000 0.539 111 E N 0.827 120.935 120.200 -0.153 0.000 2.049 111 E HA -0.120 4.229 4.350 -0.000 0.000 0.198 111 E C 2.487 179.029 176.600 -0.097 0.000 1.007 111 E CA 1.285 57.604 56.400 -0.135 0.000 0.809 111 E CB -0.129 29.497 29.700 -0.124 0.000 0.749 111 E HN 0.411 nan 8.360 nan 0.000 0.450 112 K N -0.627 119.724 120.400 -0.081 0.000 2.228 112 K HA -0.157 4.163 4.320 -0.000 0.000 0.205 112 K C 1.644 178.207 176.600 -0.062 0.000 1.045 112 K CA 1.579 57.829 56.287 -0.063 0.000 0.931 112 K CB -0.012 32.456 32.500 -0.053 0.000 0.727 112 K HN 0.258 nan 8.250 nan 0.000 0.458 113 V N -3.209 116.662 119.914 -0.072 0.000 3.398 113 V HA 0.121 4.241 4.120 -0.000 0.000 0.298 113 V C 1.442 177.492 176.094 -0.074 0.000 1.496 113 V CA -0.317 61.944 62.300 -0.066 0.000 1.044 113 V CB -0.018 31.769 31.823 -0.061 0.000 0.880 113 V HN -0.009 nan 8.190 nan 0.000 0.443 114 I N 2.289 122.805 120.570 -0.090 0.000 2.179 114 I HA -0.121 4.049 4.170 -0.000 0.000 0.242 114 I C 2.082 178.148 176.117 -0.085 0.000 1.088 114 I CA 1.930 63.172 61.300 -0.097 0.000 1.357 114 I CB -0.344 37.583 38.000 -0.122 0.000 1.051 114 I HN 0.264 nan 8.210 nan 0.000 0.409 115 D N 0.111 120.465 120.400 -0.077 0.000 2.116 115 D HA -0.292 4.348 4.640 -0.000 0.000 0.193 115 D C 2.018 178.285 176.300 -0.056 0.000 0.998 115 D CA 1.662 55.623 54.000 -0.066 0.000 0.836 115 D CB -0.334 40.432 40.800 -0.056 0.000 0.951 115 D HN 0.585 nan 8.370 nan 0.000 0.449 116 Q N 0.074 119.843 119.800 -0.052 0.000 2.050 116 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 116 Q C 2.274 178.246 176.000 -0.046 0.000 0.980 116 Q CA 0.933 56.710 55.803 -0.043 0.000 0.840 116 Q CB 0.029 28.742 28.738 -0.041 0.000 0.898 116 Q HN 0.161 nan 8.270 nan 0.000 0.424 117 I N 0.888 121.424 120.570 -0.056 0.000 2.151 117 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 117 I C 2.359 178.439 176.117 -0.061 0.000 1.080 117 I CA 1.371 62.635 61.300 -0.060 0.000 1.339 117 I CB -1.223 36.734 38.000 -0.072 0.000 1.039 117 I HN 0.403 nan 8.210 nan 0.000 0.409 118 M N 0.546 120.104 119.600 -0.069 0.000 2.159 118 M HA -0.157 4.323 4.480 -0.000 0.000 0.263 118 M C 1.956 178.238 176.300 -0.030 0.000 1.063 118 M CA 1.435 56.693 55.300 -0.070 0.000 1.110 118 M CB -1.610 30.934 32.600 -0.094 0.000 1.374 118 M HN 0.297 nan 8.290 nan 0.000 0.411 119 N N 0.297 118.982 118.700 -0.025 0.000 2.142 119 N HA -0.074 4.666 4.740 -0.000 0.000 0.186 119 N C 1.903 177.416 175.510 0.004 0.000 1.023 119 N CA 1.151 54.198 53.050 -0.005 0.000 0.852 119 N CB -0.588 37.893 38.487 -0.011 0.000 0.998 119 N HN 0.205 nan 8.380 nan 0.000 0.424 120 V N 1.858 121.766 119.914 -0.010 0.000 2.392 120 V HA -0.193 3.927 4.120 -0.000 0.000 0.249 120 V C 2.234 178.331 176.094 0.004 0.000 1.059 120 V CA 1.234 63.528 62.300 -0.010 0.000 1.051 120 V CB -0.464 31.345 31.823 -0.024 0.000 0.658 120 V HN 0.227 nan 8.190 nan 0.000 0.455 121 I N -0.003 120.573 120.570 0.010 0.000 2.162 121 I HA -0.198 3.972 4.170 -0.000 0.000 0.238 121 I C 2.527 178.710 176.117 0.110 0.000 1.076 121 I CA 1.939 63.264 61.300 0.043 0.000 1.353 121 I CB -0.577 37.425 38.000 0.004 0.000 1.063 121 I HN 0.363 nan 8.210 nan 0.000 0.408 122 D N 0.967 121.453 120.400 0.143 0.000 2.190 122 D HA -0.204 4.436 4.640 -0.000 0.000 0.200 122 D C 2.105 178.465 176.300 0.101 0.000 0.992 122 D CA 1.852 55.968 54.000 0.193 0.000 0.854 122 D CB 0.190 41.097 40.800 0.179 0.000 0.936 122 D HN 0.380 nan 8.370 nan 0.000 0.462 123 S N -0.474 115.261 115.700 0.058 0.000 2.522 123 S HA 0.154 4.624 4.470 -0.000 0.000 0.227 123 S C 1.901 176.510 174.600 0.014 0.000 0.986 123 S CA 0.589 58.806 58.200 0.030 0.000 0.929 123 S CB 0.346 63.553 63.200 0.012 0.000 0.769 123 S HN 0.311 nan 8.310 nan 0.000 0.529 124 A N 1.386 124.220 122.820 0.024 0.000 2.095 124 A HA 0.357 4.677 4.320 -0.000 0.000 0.212 124 A C 2.159 179.752 177.584 0.015 0.000 1.162 124 A CA 0.741 52.780 52.037 0.003 0.000 0.753 124 A CB -0.484 18.526 19.000 0.018 0.000 0.840 124 A HN 1.011 nan 8.150 nan 0.000 0.468 125 V N -2.734 117.200 119.914 0.034 0.000 3.506 125 V HA 0.097 4.217 4.120 -0.000 0.000 0.263 125 V C 1.734 177.828 176.094 0.000 0.000 1.203 125 V CA 1.774 64.072 62.300 -0.004 0.000 1.133 125 V CB -0.133 31.648 31.823 -0.069 0.000 0.802 125 V HN 0.331 nan 8.190 nan 0.000 0.459 126 E N 2.899 123.112 120.200 0.022 0.000 2.110 126 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 126 E C 1.753 178.371 176.600 0.030 0.000 0.988 126 E CA 1.528 57.945 56.400 0.027 0.000 0.804 126 E CB -0.226 29.492 29.700 0.030 0.000 0.745 126 E HN 0.873 nan 8.360 nan 0.000 0.458 127 K N -0.152 120.268 120.400 0.033 0.000 3.041 127 K HA 0.171 4.491 4.320 -0.000 0.000 0.243 127 K C -0.703 175.958 176.600 0.102 0.000 1.167 127 K CA 0.081 56.411 56.287 0.073 0.000 1.235 127 K CB 0.280 32.819 32.500 0.065 0.000 1.205 127 K HN -0.194 nan 8.250 nan 0.000 0.448 128 T N 1.295 115.882 114.554 0.056 0.000 2.906 128 T HA 0.206 4.556 4.350 -0.000 0.000 0.302 128 T C 0.417 175.129 174.700 0.020 0.000 1.002 128 T CA -0.815 61.310 62.100 0.041 0.000 0.988 128 T CB 1.671 70.535 68.868 -0.007 0.000 0.972 128 T HN 0.192 nan 8.240 nan 0.000 0.447 129 K N 2.066 122.485 120.400 0.031 0.000 2.009 129 K HA 0.036 4.356 4.320 -0.000 0.000 0.210 129 K C 1.228 177.830 176.600 0.003 0.000 1.049 129 K CA 0.972 57.271 56.287 0.020 0.000 0.929 129 K CB 0.134 32.649 32.500 0.025 0.000 0.714 129 K HN 0.588 nan 8.250 nan 0.000 0.440 130 G N 1.153 109.950 108.800 -0.005 0.000 3.113 130 G HA2 0.368 4.328 3.960 -0.000 0.000 0.301 130 G HA3 0.368 4.328 3.960 -0.000 0.000 0.301 130 G C -1.417 173.452 174.900 -0.052 0.000 1.606 130 G CA -0.654 44.433 45.100 -0.023 0.000 1.060 130 G HN -0.021 nan 8.290 nan 0.000 0.540 131 L N 1.318 122.483 121.223 -0.096 0.000 2.410 131 L HA 0.301 4.641 4.340 -0.000 0.000 0.273 131 L C 1.494 178.253 176.870 -0.185 0.000 1.152 131 L CA 0.270 55.005 54.840 -0.176 0.000 0.855 131 L CB 1.324 43.215 42.059 -0.280 0.000 1.129 131 L HN 0.622 nan 8.230 nan 0.000 0.463 132 Q N 3.056 122.733 119.800 -0.204 0.000 2.159 132 Q HA 0.329 4.669 4.340 -0.000 0.000 0.194 132 Q C 0.411 176.263 176.000 -0.247 0.000 0.968 132 Q CA 0.739 56.446 55.803 -0.161 0.000 0.837 132 Q CB 0.436 29.114 28.738 -0.099 0.000 0.920 132 Q HN 0.944 nan 8.270 nan 0.000 0.485 133 G N -1.226 107.324 108.800 -0.416 0.000 2.348 133 G HA2 0.354 4.314 3.960 -0.000 0.000 0.296 133 G HA3 0.354 4.314 3.960 -0.000 0.000 0.296 133 G C -1.733 172.678 174.900 -0.815 0.000 1.258 133 G CA -0.816 43.933 45.100 -0.584 0.000 0.868 133 G HN 0.132 nan 8.290 nan 0.000 0.488 134 F N -0.560 119.392 119.950 0.005 0.000 2.579 134 F HA 0.827 5.354 4.527 -0.000 0.000 0.324 134 F C 0.139 175.941 175.800 0.003 0.000 1.058 134 F CA -0.943 57.046 58.000 -0.018 0.000 0.944 134 F CB 2.234 41.233 39.000 -0.002 0.000 1.245 134 F HN 0.227 nan 8.300 nan 0.000 0.477 135 L N 2.677 123.999 121.223 0.165 0.000 2.385 135 L HA 0.583 4.922 4.340 -0.000 0.000 0.273 135 L C -0.938 175.961 176.870 0.047 0.000 0.990 135 L CA -0.610 54.300 54.840 0.116 0.000 0.821 135 L CB 2.125 44.207 42.059 0.038 0.000 1.279 135 L HN 0.631 nan 8.230 nan 0.000 0.412 136 M N 2.789 122.425 119.600 0.060 0.000 2.253 136 M HA 0.437 4.917 4.480 -0.000 0.000 0.314 136 M C -1.252 175.090 176.300 0.069 0.000 1.019 136 M CA -0.184 55.086 55.300 -0.050 0.000 0.932 136 M CB 1.937 34.422 32.600 -0.192 0.000 1.606 136 M HN 0.469 nan 8.290 nan 0.000 0.430 137 T N 5.286 119.901 114.554 0.102 0.000 2.758 137 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 137 T C -0.936 173.966 174.700 0.336 0.000 0.981 137 T CA -0.338 61.931 62.100 0.282 0.000 0.965 137 T CB 0.344 69.421 68.868 0.349 0.000 0.927 137 T HN 0.899 nan 8.240 nan 0.000 0.448 138 H N -0.555 118.612 119.070 0.161 0.000 2.917 138 H HA 0.689 5.245 4.556 -0.000 0.000 0.299 138 H C -1.259 174.144 175.328 0.124 0.000 1.418 138 H CA -1.176 54.950 56.048 0.130 0.000 1.138 138 H CB 0.932 30.760 29.762 0.109 0.000 1.830 138 H HN 0.475 nan 8.280 nan 0.000 0.514 139 S N 0.340 116.005 115.700 -0.059 0.000 2.472 139 S HA 0.288 4.758 4.470 -0.000 0.000 0.303 139 S C 0.818 175.272 174.600 -0.243 0.000 1.099 139 S CA -0.705 57.414 58.200 -0.135 0.000 1.077 139 S CB 0.638 63.844 63.200 0.010 0.000 1.031 139 S HN 0.688 nan 8.310 nan 0.000 0.487 140 I N 2.713 123.152 120.570 -0.217 0.000 3.793 140 I HA 0.431 4.601 4.170 -0.000 0.000 0.315 140 I C 1.174 177.308 176.117 0.030 0.000 1.275 140 I CA 0.281 61.521 61.300 -0.101 0.000 1.214 140 I CB -0.272 37.684 38.000 -0.074 0.000 1.018 140 I HN 0.651 nan 8.210 nan 0.000 0.439 141 G N 0.853 109.666 108.800 0.022 0.000 2.762 141 G HA2 0.312 4.272 3.960 -0.000 0.000 0.209 141 G HA3 0.312 4.272 3.960 -0.000 0.000 0.209 141 G C 0.939 175.883 174.900 0.072 0.000 1.134 141 G CA 0.421 45.551 45.100 0.051 0.000 0.781 141 G HN 0.506 nan 8.290 nan 0.000 0.528 142 G N -0.155 108.684 108.800 0.065 0.000 2.529 142 G HA2 0.392 4.352 3.960 -0.000 0.000 0.234 142 G HA3 0.392 4.352 3.960 -0.000 0.000 0.234 142 G C 1.041 175.995 174.900 0.090 0.000 1.527 142 G CA 0.601 45.735 45.100 0.058 0.000 1.062 142 G HN 0.506 nan 8.290 nan 0.000 0.558 143 G N -2.118 106.714 108.800 0.053 0.000 2.649 143 G HA2 0.185 4.145 3.960 -0.000 0.000 0.199 143 G HA3 0.185 4.145 3.960 -0.000 0.000 0.199 143 G C 1.599 176.497 174.900 -0.002 0.000 1.085 143 G CA 1.358 46.485 45.100 0.046 0.000 0.804 143 G HN 0.630 nan 8.290 nan 0.000 0.671 144 S N 0.451 116.153 115.700 0.004 0.000 2.341 144 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 144 S C 2.475 177.095 174.600 0.034 0.000 1.034 144 S CA 1.759 59.956 58.200 -0.004 0.000 0.964 144 S CB -0.657 62.543 63.200 0.001 0.000 0.882 144 S HN 0.357 nan 8.310 nan 0.000 0.469 145 G N 0.752 109.599 108.800 0.078 0.000 2.470 145 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.220 145 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.220 145 G C 1.642 176.674 174.900 0.221 0.000 1.121 145 G CA 1.422 46.619 45.100 0.162 0.000 0.766 145 G HN 0.675 nan 8.290 nan 0.000 0.553 146 S N 0.082 115.872 115.700 0.149 0.000 2.370 146 S HA 0.232 4.701 4.470 -0.000 0.000 0.214 146 S C 2.406 177.055 174.600 0.082 0.000 1.033 146 S CA 1.188 59.539 58.200 0.252 0.000 0.941 146 S CB -0.828 62.608 63.200 0.393 0.000 0.886 146 S HN 0.338 nan 8.310 nan 0.000 0.521 147 G N 2.414 111.058 108.800 -0.259 0.000 2.575 147 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 147 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 147 G C 1.402 176.074 174.900 -0.381 0.000 1.262 147 G CA 1.052 45.646 45.100 -0.843 0.000 0.807 147 G HN 0.425 nan 8.290 nan 0.000 0.567 148 L N 1.817 122.930 121.223 -0.183 0.000 2.079 148 L HA 0.071 4.411 4.340 -0.000 0.000 0.210 148 L C 2.853 179.709 176.870 -0.024 0.000 1.081 148 L CA 2.322 57.105 54.840 -0.095 0.000 0.752 148 L CB -1.004 41.013 42.059 -0.070 0.000 0.896 148 L HN 0.231 nan 8.230 nan 0.000 0.433 149 G N -1.853 106.971 108.800 0.040 0.000 2.440 149 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.218 149 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.218 149 G C 1.595 176.555 174.900 0.100 0.000 1.154 149 G CA 0.946 46.112 45.100 0.109 0.000 0.767 149 G HN 0.488 nan 8.290 nan 0.000 0.552 150 S N 0.221 116.007 115.700 0.143 0.000 2.355 150 S HA -0.068 4.402 4.470 -0.000 0.000 0.222 150 S C 2.153 176.867 174.600 0.189 0.000 1.031 150 S CA 0.975 59.289 58.200 0.191 0.000 0.993 150 S CB -0.311 63.060 63.200 0.285 0.000 0.859 150 S HN 0.245 nan 8.310 nan 0.000 0.453 151 L N 2.181 123.539 121.223 0.225 0.000 2.042 151 L HA -0.069 4.271 4.340 -0.000 0.000 0.210 151 L C 1.871 178.769 176.870 0.046 0.000 1.076 151 L CA 1.591 56.547 54.840 0.194 0.000 0.749 151 L CB -0.673 41.373 42.059 -0.022 0.000 0.893 151 L HN 0.298 nan 8.230 nan 0.000 0.432 152 I N -1.269 119.298 120.570 -0.005 0.000 2.113 152 I HA -0.349 3.821 4.170 -0.000 0.000 0.238 152 I C 2.459 178.538 176.117 -0.062 0.000 1.070 152 I CA 1.432 62.694 61.300 -0.064 0.000 1.332 152 I CB -0.418 37.527 38.000 -0.091 0.000 1.044 152 I HN 0.238 nan 8.210 nan 0.000 0.402 153 L N 0.405 121.608 121.223 -0.033 0.000 2.064 153 L HA -0.321 4.019 4.340 -0.000 0.000 0.216 153 L C 2.564 179.433 176.870 -0.002 0.000 1.077 153 L CA 1.706 56.533 54.840 -0.022 0.000 0.766 153 L CB -0.661 41.412 42.059 0.023 0.000 0.890 153 L HN 0.375 nan 8.230 nan 0.000 0.435 154 E N -0.408 119.816 120.200 0.039 0.000 2.015 154 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 154 E C 2.252 178.843 176.600 -0.014 0.000 0.991 154 E CA 0.875 57.303 56.400 0.047 0.000 0.802 154 E CB -0.031 29.746 29.700 0.128 0.000 0.759 154 E HN 0.416 nan 8.360 nan 0.000 0.447 155 R N 0.381 120.853 120.500 -0.047 0.000 2.285 155 R HA -0.082 4.258 4.340 -0.000 0.000 0.213 155 R C 2.156 178.348 176.300 -0.180 0.000 1.068 155 R CA 0.278 56.314 56.100 -0.107 0.000 1.004 155 R CB -0.098 30.131 30.300 -0.118 0.000 0.873 155 R HN 0.122 nan 8.270 nan 0.000 0.467 156 L N 0.664 121.786 121.223 -0.168 0.000 2.131 156 L HA -0.033 4.307 4.340 -0.000 0.000 0.206 156 L C 2.287 179.089 176.870 -0.114 0.000 1.087 156 L CA 1.560 56.265 54.840 -0.226 0.000 0.767 156 L CB -0.257 41.658 42.059 -0.239 0.000 0.917 156 L HN -0.081 nan 8.230 nan 0.000 0.441 157 R N -0.297 120.173 120.500 -0.049 0.000 2.062 157 R HA -0.030 4.310 4.340 -0.000 0.000 0.226 157 R C 2.044 178.325 176.300 -0.031 0.000 1.125 157 R CA 1.199 57.302 56.100 0.005 0.000 0.966 157 R CB -0.478 29.828 30.300 0.011 0.000 0.861 157 R HN 0.502 nan 8.270 nan 0.000 0.433 158 Q N -0.649 119.112 119.800 -0.064 0.000 2.561 158 Q HA -0.030 4.310 4.340 -0.000 0.000 0.217 158 Q C 1.227 177.151 176.000 -0.127 0.000 0.980 158 Q CA 1.136 56.896 55.803 -0.072 0.000 0.927 158 Q CB 0.217 28.917 28.738 -0.064 0.000 0.980 158 Q HN 0.305 nan 8.270 nan 0.000 0.525 159 A N -0.965 121.715 122.820 -0.234 0.000 2.066 159 A HA 0.121 4.441 4.320 -0.000 0.000 0.198 159 A C -0.075 177.298 177.584 -0.352 0.000 1.405 159 A CA -0.014 51.770 52.037 -0.423 0.000 0.973 159 A CB 0.569 19.095 19.000 -0.790 0.000 1.026 159 A HN 0.274 nan 8.150 nan 0.000 0.474 160 Y N 0.546 120.895 120.300 0.083 0.000 2.495 160 Y HA 0.301 4.851 4.550 -0.000 0.000 0.362 160 Y C -1.896 174.063 175.900 0.098 0.000 0.956 160 Y CA -3.136 55.039 58.100 0.126 0.000 1.127 160 Y CB 0.180 38.804 38.460 0.273 0.000 1.173 160 Y HN 0.229 nan 8.280 nan 0.000 0.639 161 P HA -0.216 nan 4.420 nan 0.000 0.217 161 P C 0.637 177.991 177.300 0.091 0.000 1.148 161 P CA 1.696 64.854 63.100 0.097 0.000 0.828 161 P CB 0.542 32.277 31.700 0.059 0.000 0.783 162 K N -1.145 119.317 120.400 0.103 0.000 2.361 162 K HA 0.063 4.382 4.320 -0.000 0.000 0.196 162 K C 0.960 177.597 176.600 0.061 0.000 1.039 162 K CA 0.231 56.558 56.287 0.066 0.000 1.001 162 K CB 0.110 32.641 32.500 0.051 0.000 0.795 162 K HN 0.106 nan 8.250 nan 0.000 0.495 163 K N 1.628 122.086 120.400 0.097 0.000 2.168 163 K HA 0.173 4.493 4.320 -0.000 0.000 0.258 163 K C 0.347 176.992 176.600 0.076 0.000 1.010 163 K CA -0.154 56.163 56.287 0.051 0.000 0.929 163 K CB 0.597 33.120 32.500 0.038 0.000 0.998 163 K HN -0.080 nan 8.250 nan 0.000 0.479 164 R N 1.414 121.937 120.500 0.038 0.000 2.428 164 R HA 0.469 4.808 4.340 -0.000 0.000 0.294 164 R C 0.173 176.569 176.300 0.160 0.000 1.000 164 R CA -0.561 55.599 56.100 0.100 0.000 0.960 164 R CB 0.535 30.897 30.300 0.104 0.000 1.076 164 R HN 0.544 nan 8.270 nan 0.000 0.475 165 I N 3.131 123.818 120.570 0.196 0.000 2.418 165 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 165 I C -0.810 175.409 176.117 0.171 0.000 1.008 165 I CA -0.595 60.832 61.300 0.212 0.000 1.104 165 I CB 1.198 39.283 38.000 0.142 0.000 1.264 165 I HN 0.264 nan 8.210 nan 0.000 0.438 166 F N 3.240 123.169 119.950 -0.034 0.000 2.538 166 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 166 F C 0.224 175.959 175.800 -0.108 0.000 1.066 166 F CA -0.363 57.564 58.000 -0.121 0.000 0.946 166 F CB 2.459 41.342 39.000 -0.194 0.000 1.199 166 F HN 0.212 nan 8.300 nan 0.000 0.473 167 T N 3.012 117.469 114.554 -0.161 0.000 2.876 167 T HA 0.488 4.838 4.350 -0.000 0.000 0.289 167 T C -1.291 173.295 174.700 -0.189 0.000 1.014 167 T CA -0.412 61.640 62.100 -0.081 0.000 0.986 167 T CB 0.895 69.755 68.868 -0.015 0.000 1.021 167 T HN 0.185 nan 8.240 nan 0.000 0.458 168 F N 2.027 122.037 119.950 0.100 0.000 2.359 168 F HA 0.456 4.982 4.527 -0.000 0.000 0.369 168 F C 0.585 176.507 175.800 0.204 0.000 1.084 168 F CA -0.557 57.507 58.000 0.106 0.000 1.096 168 F CB 1.189 40.220 39.000 0.052 0.000 1.335 168 F HN 0.380 nan 8.300 nan 0.000 0.457 169 S N 2.363 118.225 115.700 0.269 0.000 2.449 169 S HA 0.520 4.990 4.470 -0.000 0.000 0.310 169 S C -0.397 174.257 174.600 0.089 0.000 1.096 169 S CA -0.721 57.597 58.200 0.197 0.000 1.095 169 S CB 1.593 64.908 63.200 0.192 0.000 1.007 169 S HN 0.194 nan 8.310 nan 0.000 0.474 170 V N 4.437 124.373 119.914 0.036 0.000 2.408 170 V HA 0.259 4.379 4.120 -0.000 0.000 0.267 170 V C 0.133 176.211 176.094 -0.027 0.000 1.047 170 V CA -0.579 61.730 62.300 0.015 0.000 0.937 170 V CB 0.830 32.667 31.823 0.024 0.000 0.999 170 V HN 0.660 nan 8.190 nan 0.000 0.472 171 V N 8.203 128.096 119.914 -0.034 0.000 2.567 171 V HA 0.355 4.475 4.120 -0.000 0.000 0.289 171 V C -1.834 174.227 176.094 -0.056 0.000 1.049 171 V CA -1.634 60.634 62.300 -0.053 0.000 0.969 171 V CB 1.563 33.335 31.823 -0.084 0.000 0.995 171 V HN 0.739 nan 8.190 nan 0.000 0.471 172 P HA 0.274 nan 4.420 nan 0.000 0.282 172 P C -0.759 176.494 177.300 -0.078 0.000 1.249 172 P CA -0.295 62.773 63.100 -0.054 0.000 0.806 172 P CB 1.644 33.325 31.700 -0.031 0.000 0.984 173 S N 2.161 117.801 115.700 -0.100 0.000 2.571 173 S HA 0.463 4.932 4.470 -0.000 0.000 0.284 173 S C -2.007 172.500 174.600 -0.155 0.000 1.128 173 S CA -1.877 56.247 58.200 -0.127 0.000 0.970 173 S CB 1.176 64.288 63.200 -0.146 0.000 1.039 173 S HN 0.113 nan 8.310 nan 0.000 0.485 174 P HA -0.106 nan 4.420 nan 0.000 0.218 174 P C 1.009 178.189 177.300 -0.201 0.000 1.146 174 P CA 0.898 63.915 63.100 -0.138 0.000 0.820 174 P CB -0.049 31.587 31.700 -0.108 0.000 0.778 175 L N -2.369 118.660 121.223 -0.324 0.000 2.747 175 L HA 0.287 4.626 4.340 -0.000 0.000 0.248 175 L C 0.777 177.241 176.870 -0.676 0.000 1.191 175 L CA 1.074 55.587 54.840 -0.545 0.000 1.003 175 L CB -1.230 40.343 42.059 -0.809 0.000 1.235 175 L HN 0.077 nan 8.230 nan 0.000 0.426 176 I N -0.180 120.186 120.570 -0.340 0.000 2.458 176 I HA 0.039 4.209 4.170 -0.000 0.000 0.301 176 I C -0.864 175.234 176.117 -0.032 0.000 1.738 176 I CA 0.140 61.339 61.300 -0.168 0.000 0.796 176 I CB -0.054 37.811 38.000 -0.226 0.000 1.779 176 I HN 0.193 nan 8.210 nan 0.000 0.495 177 S N 0.859 116.550 115.700 -0.016 0.000 2.568 177 S HA 0.587 5.057 4.470 -0.000 0.000 0.302 177 S C -0.045 174.574 174.600 0.032 0.000 1.082 177 S CA -0.206 58.004 58.200 0.017 0.000 1.009 177 S CB 2.163 65.336 63.200 -0.046 0.000 1.069 177 S HN 0.470 nan 8.310 nan 0.000 0.500 178 D N 0.822 121.235 120.400 0.022 0.000 2.514 178 D HA 0.294 4.934 4.640 -0.000 0.000 0.225 178 D C -0.343 175.918 176.300 -0.064 0.000 1.159 178 D CA 0.201 54.188 54.000 -0.023 0.000 0.823 178 D CB 1.008 41.779 40.800 -0.047 0.000 1.097 178 D HN 0.386 nan 8.370 nan 0.000 0.519 179 S N -0.756 114.899 115.700 -0.075 0.000 2.526 179 S HA 0.676 5.145 4.470 -0.000 0.000 0.293 179 S C 0.844 175.343 174.600 -0.169 0.000 1.092 179 S CA -0.063 58.059 58.200 -0.130 0.000 0.980 179 S CB 1.611 64.740 63.200 -0.119 0.000 1.048 179 S HN 0.040 nan 8.310 nan 0.000 0.483 180 A N 3.637 126.300 122.820 -0.262 0.000 1.929 180 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 180 A C 1.817 179.168 177.584 -0.388 0.000 1.176 180 A CA 1.271 53.122 52.037 -0.311 0.000 0.628 180 A CB -0.720 18.024 19.000 -0.426 0.000 0.816 180 A HN 0.876 nan 8.150 nan 0.000 0.444 181 V N 0.249 119.900 119.914 -0.438 0.000 3.510 181 V HA -0.101 4.019 4.120 -0.000 0.000 0.270 181 V C 1.883 177.869 176.094 -0.179 0.000 1.201 181 V CA 1.258 63.348 62.300 -0.350 0.000 1.166 181 V CB -0.831 30.905 31.823 -0.143 0.000 0.825 181 V HN 0.654 nan 8.190 nan 0.000 0.484 182 E N 1.238 121.353 120.200 -0.142 0.000 2.048 182 E HA -0.223 4.127 4.350 -0.000 0.000 0.202 182 E C -0.338 176.251 176.600 -0.020 0.000 1.021 182 E CA 2.166 58.537 56.400 -0.050 0.000 0.825 182 E CB -0.924 28.742 29.700 -0.056 0.000 0.756 182 E HN 0.570 nan 8.360 nan 0.000 0.454 183 P HA -0.222 nan 4.420 nan 0.000 0.217 183 P C 0.956 178.357 177.300 0.169 0.000 1.148 183 P CA 1.609 64.717 63.100 0.014 0.000 0.828 183 P CB -0.237 31.451 31.700 -0.019 0.000 0.783 184 Y N 0.712 121.004 120.300 -0.014 0.000 2.070 184 Y HA -0.198 4.352 4.550 -0.000 0.000 0.280 184 Y C 2.648 178.531 175.900 -0.029 0.000 1.148 184 Y CA 0.646 58.698 58.100 -0.081 0.000 1.125 184 Y CB -0.915 37.320 38.460 -0.375 0.000 0.975 184 Y HN -0.014 nan 8.280 nan 0.000 0.492 185 N N 0.505 119.358 118.700 0.254 0.000 2.137 185 N HA -0.199 4.541 4.740 -0.000 0.000 0.190 185 N C 1.822 177.392 175.510 0.100 0.000 1.017 185 N CA 1.187 54.374 53.050 0.229 0.000 0.859 185 N CB -0.617 38.057 38.487 0.313 0.000 1.002 185 N HN 0.367 nan 8.380 nan 0.000 0.428 186 A N 1.632 124.501 122.820 0.083 0.000 1.841 186 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 186 A C 2.297 179.871 177.584 -0.018 0.000 1.199 186 A CA 1.247 53.306 52.037 0.036 0.000 0.621 186 A CB -0.860 18.157 19.000 0.029 0.000 0.835 186 A HN 0.096 nan 8.150 nan 0.000 0.445 187 I N 0.092 120.644 120.570 -0.029 0.000 2.118 187 I HA -0.276 3.894 4.170 -0.000 0.000 0.241 187 I C 2.526 178.491 176.117 -0.253 0.000 1.070 187 I CA 1.303 62.511 61.300 -0.154 0.000 1.327 187 I CB -0.597 37.266 38.000 -0.228 0.000 1.034 187 I HN 0.348 nan 8.210 nan 0.000 0.405 188 L N -0.673 120.331 121.223 -0.366 0.000 1.997 188 L HA -0.339 4.001 4.340 -0.000 0.000 0.216 188 L C 2.469 179.073 176.870 -0.443 0.000 1.074 188 L CA 2.246 56.656 54.840 -0.717 0.000 0.763 188 L CB -1.279 39.834 42.059 -1.577 0.000 0.890 188 L HN 0.279 nan 8.230 nan 0.000 0.434 189 T N 0.097 114.551 114.554 -0.166 0.000 2.746 189 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 189 T C 1.979 176.734 174.700 0.093 0.000 1.039 189 T CA 1.088 63.292 62.100 0.174 0.000 1.142 189 T CB -0.291 68.744 68.868 0.278 0.000 0.866 189 T HN 0.195 nan 8.240 nan 0.000 0.444 190 L N 0.890 122.116 121.223 0.005 0.000 2.189 190 L HA -0.215 4.125 4.340 -0.000 0.000 0.214 190 L C 2.863 179.717 176.870 -0.027 0.000 1.097 190 L CA 1.382 56.215 54.840 -0.011 0.000 0.764 190 L CB -0.483 41.501 42.059 -0.126 0.000 0.900 190 L HN 0.394 nan 8.230 nan 0.000 0.436 191 Q N -0.297 119.452 119.800 -0.086 0.000 2.046 191 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 191 Q C 2.304 178.316 176.000 0.020 0.000 0.975 191 Q CA 1.178 56.932 55.803 -0.081 0.000 0.836 191 Q CB 0.168 28.814 28.738 -0.153 0.000 0.896 191 Q HN 0.328 nan 8.270 nan 0.000 0.428 192 R N 0.184 120.719 120.500 0.057 0.000 2.148 192 R HA -0.024 4.316 4.340 -0.000 0.000 0.227 192 R C 2.133 178.518 176.300 0.141 0.000 1.103 192 R CA 0.831 56.994 56.100 0.104 0.000 0.983 192 R CB -0.505 29.884 30.300 0.148 0.000 0.874 192 R HN 0.433 nan 8.270 nan 0.000 0.451 193 I N 0.932 121.619 120.570 0.196 0.000 2.546 193 I HA -0.189 3.981 4.170 -0.000 0.000 0.255 193 I C 2.355 178.668 176.117 0.327 0.000 1.163 193 I CA 0.659 62.112 61.300 0.255 0.000 1.457 193 I CB -0.152 38.065 38.000 0.362 0.000 1.092 193 I HN 0.085 nan 8.210 nan 0.000 0.434 194 L N 0.630 122.058 121.223 0.342 0.000 2.095 194 L HA -0.144 4.196 4.340 -0.000 0.000 0.204 194 L C 1.601 178.632 176.870 0.268 0.000 1.080 194 L CA 2.083 57.149 54.840 0.377 0.000 0.759 194 L CB -0.697 41.499 42.059 0.229 0.000 0.914 194 L HN 0.240 nan 8.230 nan 0.000 0.439 195 D N -0.203 120.280 120.400 0.138 0.000 2.347 195 D HA -0.049 4.591 4.640 -0.000 0.000 0.213 195 D C 1.029 177.349 176.300 0.034 0.000 0.985 195 D CA 0.578 54.622 54.000 0.075 0.000 0.879 195 D CB 0.262 41.092 40.800 0.049 0.000 0.919 195 D HN 0.465 nan 8.370 nan 0.000 0.526 196 N N -0.518 118.199 118.700 0.028 0.000 2.168 196 N HA 0.186 4.926 4.740 -0.000 0.000 0.216 196 N C -0.052 175.414 175.510 -0.073 0.000 1.259 196 N CA -0.104 52.940 53.050 -0.011 0.000 0.902 196 N CB 1.051 39.551 38.487 0.021 0.000 1.079 196 N HN -0.047 nan 8.380 nan 0.000 0.507 197 A N 0.063 122.803 122.820 -0.135 0.000 2.303 197 A HA 0.376 4.696 4.320 -0.000 0.000 0.317 197 A C 0.117 177.328 177.584 -0.621 0.000 1.149 197 A CA -0.447 51.428 52.037 -0.270 0.000 0.822 197 A CB 0.695 19.572 19.000 -0.205 0.000 1.131 197 A HN 0.078 nan 8.150 nan 0.000 0.493 198 D N 0.562 120.647 120.400 -0.525 0.000 2.349 198 D HA 0.263 4.903 4.640 -0.000 0.000 0.215 198 D C 0.638 176.473 176.300 -0.776 0.000 1.016 198 D CA 1.373 55.059 54.000 -0.523 0.000 0.870 198 D CB 0.581 41.326 40.800 -0.092 0.000 0.917 198 D HN 0.796 nan 8.370 nan 0.000 0.524 199 G N -0.001 108.121 108.800 -1.129 0.000 2.429 199 G HA2 0.475 4.435 3.960 -0.000 0.000 0.300 199 G HA3 0.475 4.435 3.960 -0.000 0.000 0.300 199 G C -1.920 172.322 174.900 -1.097 0.000 1.598 199 G CA -0.262 44.136 45.100 -1.170 0.000 0.863 199 G HN 0.145 nan 8.290 nan 0.000 0.614 200 A N 0.303 122.778 122.820 -0.575 0.000 2.486 200 A HA 0.818 5.137 4.320 -0.000 0.000 0.300 200 A C -0.804 176.665 177.584 -0.192 0.000 1.048 200 A CA -0.633 51.204 52.037 -0.332 0.000 0.696 200 A CB 2.037 20.994 19.000 -0.073 0.000 1.278 200 A HN 1.645 nan 8.150 nan 0.000 0.405 201 V N 3.239 123.003 119.914 -0.251 0.000 2.333 201 V HA 0.280 4.400 4.120 -0.000 0.000 0.274 201 V C -0.100 175.978 176.094 -0.027 0.000 1.028 201 V CA -0.185 62.011 62.300 -0.174 0.000 0.851 201 V CB 0.818 32.421 31.823 -0.368 0.000 1.000 201 V HN 0.700 nan 8.190 nan 0.000 0.456 202 L N 6.494 127.726 121.223 0.016 0.000 2.295 202 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 202 L C -0.232 176.645 176.870 0.011 0.000 1.079 202 L CA -0.187 54.660 54.840 0.013 0.000 0.830 202 L CB 0.551 42.573 42.059 -0.061 0.000 1.200 202 L HN 0.498 nan 8.230 nan 0.000 0.438 203 L N 3.541 124.791 121.223 0.045 0.000 2.302 203 L HA 0.218 4.558 4.340 -0.000 0.000 0.285 203 L C 0.121 176.994 176.870 0.005 0.000 1.090 203 L CA -0.372 54.498 54.840 0.050 0.000 0.866 203 L CB 0.415 42.529 42.059 0.093 0.000 1.244 203 L HN 0.482 nan 8.230 nan 0.000 0.435 204 D N 2.020 122.409 120.400 -0.018 0.000 2.343 204 D HA 0.011 4.651 4.640 -0.000 0.000 0.255 204 D C 1.038 177.323 176.300 -0.025 0.000 1.187 204 D CA 0.066 54.039 54.000 -0.045 0.000 0.875 204 D CB 0.972 41.727 40.800 -0.075 0.000 1.136 204 D HN 0.268 nan 8.370 nan 0.000 0.469 205 N N 2.796 121.469 118.700 -0.045 0.000 2.166 205 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 205 N C 1.388 176.898 175.510 0.000 0.000 1.019 205 N CA 0.844 53.865 53.050 -0.048 0.000 0.856 205 N CB -0.065 38.358 38.487 -0.107 0.000 0.993 205 N HN 0.697 nan 8.380 nan 0.000 0.426 206 E N 0.203 120.385 120.200 -0.029 0.000 2.118 206 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 206 E C 1.651 178.303 176.600 0.087 0.000 0.992 206 E CA 1.406 57.806 56.400 0.000 0.000 0.804 206 E CB -0.040 29.634 29.700 -0.043 0.000 0.741 206 E HN 0.352 nan 8.360 nan 0.000 0.458 207 A N 0.800 123.653 122.820 0.054 0.000 1.861 207 A HA -0.007 4.312 4.320 -0.000 0.000 0.212 207 A C 2.217 179.852 177.584 0.085 0.000 1.199 207 A CA 0.859 52.941 52.037 0.076 0.000 0.613 207 A CB -0.668 18.369 19.000 0.061 0.000 0.846 207 A HN 0.303 nan 8.150 nan 0.000 0.446 208 L N -1.572 119.689 121.223 0.063 0.000 2.081 208 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 208 L C 2.452 179.359 176.870 0.061 0.000 1.080 208 L CA 1.761 56.626 54.840 0.043 0.000 0.754 208 L CB -0.647 41.421 42.059 0.014 0.000 0.893 208 L HN 0.506 nan 8.230 nan 0.000 0.433 209 F N 1.011 120.928 119.950 -0.055 0.000 1.990 209 F HA -0.215 4.312 4.527 -0.000 0.000 0.294 209 F C 2.794 178.580 175.800 -0.023 0.000 1.177 209 F CA 1.534 59.504 58.000 -0.051 0.000 1.167 209 F CB -0.430 38.537 39.000 -0.056 0.000 0.971 209 F HN -0.184 nan 8.300 nan 0.000 0.483 210 R N 0.401 120.969 120.500 0.113 0.000 2.159 210 R HA -0.263 4.077 4.340 -0.000 0.000 0.252 210 R C 2.251 178.507 176.300 -0.074 0.000 1.144 210 R CA 2.357 58.454 56.100 -0.004 0.000 0.961 210 R CB -1.000 29.359 30.300 0.099 0.000 0.877 210 R HN 0.441 nan 8.270 nan 0.000 0.444 211 I N 0.258 120.812 120.570 -0.026 0.000 2.076 211 I HA -0.325 3.845 4.170 -0.000 0.000 0.237 211 I C 2.660 178.732 176.117 -0.076 0.000 1.059 211 I CA 1.555 62.840 61.300 -0.025 0.000 1.317 211 I CB -0.551 37.453 38.000 0.006 0.000 1.037 211 I HN 0.255 nan 8.210 nan 0.000 0.398 212 A N 0.513 123.268 122.820 -0.108 0.000 1.948 212 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 212 A C 2.213 179.677 177.584 -0.199 0.000 1.177 212 A CA 2.321 54.278 52.037 -0.133 0.000 0.636 212 A CB -0.552 18.369 19.000 -0.132 0.000 0.815 212 A HN 0.360 nan 8.150 nan 0.000 0.449 213 K N 0.384 120.581 120.400 -0.338 0.000 1.991 213 K HA -0.006 4.314 4.320 -0.000 0.000 0.212 213 K C 1.784 178.274 176.600 -0.184 0.000 1.049 213 K CA 1.959 58.025 56.287 -0.368 0.000 0.932 213 K CB -0.690 31.474 32.500 -0.560 0.000 0.717 213 K HN 0.306 nan 8.250 nan 0.000 0.441 214 A N 0.216 122.957 122.820 -0.131 0.000 2.235 214 A HA -0.018 4.302 4.320 -0.000 0.000 0.208 214 A C 1.843 179.398 177.584 -0.048 0.000 1.172 214 A CA 1.135 53.131 52.037 -0.069 0.000 0.786 214 A CB -0.452 18.523 19.000 -0.042 0.000 0.804 214 A HN 0.438 nan 8.150 nan 0.000 0.479 215 K N -0.580 119.786 120.400 -0.058 0.000 2.334 215 K HA 0.280 4.600 4.320 -0.000 0.000 0.195 215 K C -0.463 176.117 176.600 -0.033 0.000 1.045 215 K CA 0.306 56.574 56.287 -0.031 0.000 1.004 215 K CB 0.133 32.619 32.500 -0.023 0.000 0.837 215 K HN 0.403 nan 8.250 nan 0.000 0.510 216 L N 2.648 123.839 121.223 -0.054 0.000 2.514 216 L HA 0.220 4.560 4.340 -0.000 0.000 0.257 216 L C 0.445 177.284 176.870 -0.051 0.000 1.101 216 L CA -0.634 54.180 54.840 -0.044 0.000 0.911 216 L CB 1.363 43.395 42.059 -0.045 0.000 1.162 216 L HN 0.260 nan 8.230 nan 0.000 0.477 217 N N 1.663 120.341 118.700 -0.036 0.000 2.357 217 N HA -0.362 4.378 4.740 -0.000 0.000 0.198 217 N C 0.723 176.213 175.510 -0.033 0.000 0.901 217 N CA 1.753 54.784 53.050 -0.031 0.000 0.951 217 N CB -0.347 38.130 38.487 -0.017 0.000 1.060 217 N HN 0.614 nan 8.380 nan 0.000 0.717 218 R N 0.462 120.942 120.500 -0.032 0.000 2.549 218 R HA 0.467 4.807 4.340 -0.000 0.000 0.267 218 R C -0.607 175.668 176.300 -0.041 0.000 1.045 218 R CA -0.811 55.276 56.100 -0.023 0.000 1.115 218 R CB 0.530 30.826 30.300 -0.007 0.000 1.121 218 R HN -0.077 nan 8.270 nan 0.000 0.543 219 S N 2.497 118.191 115.700 -0.010 0.000 2.515 219 S HA 0.140 4.610 4.470 -0.000 0.000 0.285 219 S C -2.019 172.585 174.600 0.007 0.000 1.265 219 S CA -0.612 57.591 58.200 0.005 0.000 1.079 219 S CB 0.033 63.289 63.200 0.095 0.000 0.877 219 S HN 0.504 nan 8.310 nan 0.000 0.493 220 P HA 0.115 nan 4.420 nan 0.000 0.268 220 P C -0.722 176.644 177.300 0.110 0.000 1.208 220 P CA -0.300 62.782 63.100 -0.029 0.000 0.777 220 P CB 0.370 31.957 31.700 -0.188 0.000 0.875 221 N N -0.309 118.450 118.700 0.098 0.000 2.265 221 N HA 0.208 4.948 4.740 -0.000 0.000 0.300 221 N C 0.146 175.765 175.510 0.182 0.000 1.148 221 N CA -0.833 52.319 53.050 0.170 0.000 0.772 221 N CB 0.222 38.786 38.487 0.130 0.000 1.434 221 N HN 0.162 nan 8.380 nan 0.000 0.481 222 Y N 0.194 120.529 120.300 0.058 0.000 2.215 222 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 222 Y C 1.964 177.888 175.900 0.039 0.000 1.207 222 Y CA 1.641 59.771 58.100 0.049 0.000 1.196 222 Y CB -0.279 38.203 38.460 0.036 0.000 0.969 222 Y HN 0.528 nan 8.280 nan 0.000 0.528 223 M N -0.449 119.256 119.600 0.175 0.000 2.077 223 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 223 M C 1.808 178.142 176.300 0.057 0.000 1.070 223 M CA 1.494 56.855 55.300 0.102 0.000 1.125 223 M CB -1.218 31.429 32.600 0.079 0.000 1.339 223 M HN 0.223 nan 8.290 nan 0.000 0.409 224 D N 0.522 120.948 120.400 0.043 0.000 2.103 224 D HA -0.176 4.464 4.640 -0.000 0.000 0.190 224 D C 2.167 178.463 176.300 -0.006 0.000 0.997 224 D CA 1.306 55.312 54.000 0.009 0.000 0.833 224 D CB -0.395 40.401 40.800 -0.007 0.000 0.961 224 D HN 0.172 nan 8.370 nan 0.000 0.447 225 L N 1.218 122.434 121.223 -0.013 0.000 2.013 225 L HA -0.204 4.135 4.340 -0.000 0.000 0.212 225 L C 2.047 178.906 176.870 -0.017 0.000 1.073 225 L CA 1.406 56.227 54.840 -0.032 0.000 0.753 225 L CB -1.102 40.908 42.059 -0.082 0.000 0.890 225 L HN 0.027 nan 8.230 nan 0.000 0.432 226 N N -0.308 118.396 118.700 0.008 0.000 2.184 226 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 226 N C 1.525 177.041 175.510 0.009 0.000 1.011 226 N CA 1.754 54.821 53.050 0.028 0.000 0.867 226 N CB -0.172 38.355 38.487 0.066 0.000 0.993 226 N HN 0.486 nan 8.380 nan 0.000 0.433 227 N N -0.733 117.966 118.700 -0.002 0.000 2.022 227 N HA -0.115 4.625 4.740 -0.000 0.000 0.194 227 N C 1.477 176.947 175.510 -0.068 0.000 1.057 227 N CA 1.454 54.490 53.050 -0.023 0.000 0.849 227 N CB -0.177 38.298 38.487 -0.019 0.000 1.044 227 N HN 0.084 nan 8.380 nan 0.000 0.424 228 I N 1.768 122.291 120.570 -0.079 0.000 2.147 228 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 228 I C 2.080 178.127 176.117 -0.118 0.000 1.059 228 I CA 1.397 62.623 61.300 -0.123 0.000 1.320 228 I CB -0.565 37.395 38.000 -0.067 0.000 1.021 228 I HN 0.261 nan 8.210 nan 0.000 0.415 229 I N -0.121 120.416 120.570 -0.055 0.000 2.099 229 I HA -0.380 3.790 4.170 -0.000 0.000 0.239 229 I C 2.698 178.778 176.117 -0.062 0.000 1.066 229 I CA 1.629 62.910 61.300 -0.031 0.000 1.324 229 I CB -0.803 37.197 38.000 0.001 0.000 1.037 229 I HN 0.279 nan 8.210 nan 0.000 0.401 230 A N 1.187 123.979 122.820 -0.046 0.000 1.915 230 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 230 A C 2.339 179.897 177.584 -0.043 0.000 1.198 230 A CA 1.911 53.937 52.037 -0.018 0.000 0.647 230 A CB -1.111 17.898 19.000 0.015 0.000 0.825 230 A HN 0.413 nan 8.150 nan 0.000 0.456 231 L N -0.580 120.558 121.223 -0.141 0.000 1.970 231 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 231 L C 2.562 179.353 176.870 -0.132 0.000 1.071 231 L CA 1.327 56.019 54.840 -0.247 0.000 0.751 231 L CB -0.569 41.054 42.059 -0.727 0.000 0.889 231 L HN 0.368 nan 8.230 nan 0.000 0.432 232 I N -0.310 120.188 120.570 -0.119 0.000 2.181 232 I HA -0.340 3.830 4.170 -0.000 0.000 0.247 232 I C 2.511 178.661 176.117 0.056 0.000 1.081 232 I CA 1.611 62.931 61.300 0.033 0.000 1.340 232 I CB -0.862 37.177 38.000 0.065 0.000 1.036 232 I HN 0.129 nan 8.210 nan 0.000 0.417 233 V N 1.324 121.175 119.914 -0.106 0.000 2.216 233 V HA -0.300 3.820 4.120 -0.000 0.000 0.243 233 V C 2.662 178.680 176.094 -0.127 0.000 1.044 233 V CA 2.303 64.361 62.300 -0.404 0.000 0.995 233 V CB -1.319 30.055 31.823 -0.749 0.000 0.633 233 V HN 0.586 nan 8.190 nan 0.000 0.446 234 S N 0.591 116.350 115.700 0.099 0.000 2.378 234 S HA -0.335 4.135 4.470 -0.000 0.000 0.229 234 S C 2.012 176.676 174.600 0.106 0.000 1.052 234 S CA 2.375 60.715 58.200 0.232 0.000 1.084 234 S CB -1.087 62.205 63.200 0.153 0.000 0.950 234 S HN 0.505 nan 8.310 nan 0.000 0.440 235 S N 1.127 116.892 115.700 0.108 0.000 2.368 235 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 235 S C 1.979 176.661 174.600 0.137 0.000 1.030 235 S CA 1.244 59.516 58.200 0.120 0.000 0.999 235 S CB -0.630 62.673 63.200 0.172 0.000 0.844 235 S HN 0.446 nan 8.310 nan 0.000 0.459 236 V N 2.181 122.207 119.914 0.186 0.000 2.358 236 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 236 V C 2.821 179.105 176.094 0.316 0.000 1.047 236 V CA 2.053 64.527 62.300 0.291 0.000 1.035 236 V CB -1.404 30.654 31.823 0.392 0.000 0.658 236 V HN 0.745 nan 8.190 nan 0.000 0.452 237 T N -1.372 113.311 114.554 0.214 0.000 2.915 237 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 237 T C 1.901 176.576 174.700 -0.041 0.000 1.071 237 T CA 1.143 63.349 62.100 0.177 0.000 1.132 237 T CB -0.444 68.532 68.868 0.179 0.000 0.878 237 T HN 0.466 nan 8.240 nan 0.000 0.479 238 A N 3.219 125.989 122.820 -0.083 0.000 1.891 238 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 238 A C 2.714 180.179 177.584 -0.199 0.000 1.394 238 A CA 3.744 55.636 52.037 -0.242 0.000 0.730 238 A CB -1.729 17.257 19.000 -0.023 0.000 0.845 238 A HN 0.954 nan 8.150 nan 0.000 0.471 239 S N 0.028 115.714 115.700 -0.023 0.000 2.448 239 S HA -0.208 4.262 4.470 -0.000 0.000 0.247 239 S C 1.589 176.162 174.600 -0.044 0.000 1.033 239 S CA 1.932 60.121 58.200 -0.019 0.000 1.003 239 S CB -0.879 62.277 63.200 -0.074 0.000 0.786 239 S HN 0.495 nan 8.310 nan 0.000 0.495 240 L N 0.831 122.028 121.223 -0.043 0.000 2.375 240 L HA 0.150 4.490 4.340 -0.000 0.000 0.215 240 L C 2.625 179.452 176.870 -0.072 0.000 1.108 240 L CA 0.804 55.653 54.840 0.014 0.000 0.830 240 L CB -0.363 41.820 42.059 0.206 0.000 0.959 240 L HN 0.454 nan 8.230 nan 0.000 0.457 241 R N -1.569 118.741 120.500 -0.317 0.000 2.437 241 R HA 0.233 4.573 4.340 -0.000 0.000 0.257 241 R C -0.435 175.797 176.300 -0.113 0.000 0.927 241 R CA -0.197 55.697 56.100 -0.344 0.000 1.078 241 R CB 0.304 30.150 30.300 -0.756 0.000 1.161 241 R HN -0.023 nan 8.270 nan 0.000 0.529 242 F N 1.963 121.887 119.950 -0.043 0.000 2.561 242 F HA 0.416 4.943 4.527 -0.000 0.000 0.321 242 F C -1.371 174.405 175.800 -0.041 0.000 1.065 242 F CA -3.521 54.447 58.000 -0.053 0.000 0.934 242 F CB 1.506 40.441 39.000 -0.109 0.000 1.215 242 F HN -0.270 nan 8.300 nan 0.000 0.471 243 P HA -0.097 nan 4.420 nan 0.000 0.223 243 P C 0.790 178.117 177.300 0.045 0.000 1.140 243 P CA 0.804 63.944 63.100 0.068 0.000 0.783 243 P CB -0.116 31.594 31.700 0.017 0.000 0.759 244 G N 1.928 110.758 108.800 0.049 0.000 2.711 244 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.367 244 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.367 244 G C 1.029 175.952 174.900 0.038 0.000 1.276 244 G CA 0.599 45.724 45.100 0.041 0.000 1.193 244 G HN 0.323 nan 8.290 nan 0.000 0.704 245 K N -1.475 118.951 120.400 0.043 0.000 2.425 245 K HA 0.210 4.530 4.320 -0.000 0.000 0.201 245 K C 0.716 177.322 176.600 0.010 0.000 1.128 245 K CA -0.141 56.164 56.287 0.030 0.000 1.000 245 K CB 0.188 32.712 32.500 0.041 0.000 0.961 245 K HN 0.348 nan 8.250 nan 0.000 0.555 246 L N 2.750 123.978 121.223 0.009 0.000 2.275 246 L HA 0.285 4.625 4.340 -0.000 0.000 0.288 246 L C -0.913 175.879 176.870 -0.130 0.000 1.046 246 L CA 0.035 54.859 54.840 -0.027 0.000 0.805 246 L CB 0.284 42.357 42.059 0.022 0.000 1.193 246 L HN 0.407 nan 8.230 nan 0.000 0.426 247 N N 2.591 121.164 118.700 -0.213 0.000 2.681 247 N HA -0.187 4.553 4.740 -0.000 0.000 0.259 247 N C 0.461 175.789 175.510 -0.304 0.000 1.066 247 N CA 0.517 53.297 53.050 -0.449 0.000 0.717 247 N CB -0.473 37.444 38.487 -0.949 0.000 0.885 247 N HN 0.738 nan 8.380 nan 0.000 0.547 248 T N -0.864 113.599 114.554 -0.152 0.000 2.857 248 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 248 T C 0.513 175.187 174.700 -0.042 0.000 1.048 248 T CA 1.664 63.723 62.100 -0.067 0.000 1.139 248 T CB -0.083 68.768 68.868 -0.028 0.000 0.874 248 T HN 0.717 nan 8.240 nan 0.000 0.455 249 D N -0.897 119.470 120.400 -0.055 0.000 2.596 249 D HA 0.426 5.065 4.640 -0.000 0.000 0.234 249 D C 0.421 176.733 176.300 0.019 0.000 1.181 249 D CA -0.860 53.140 54.000 -0.000 0.000 0.856 249 D CB 0.573 41.377 40.800 0.007 0.000 1.498 249 D HN -0.307 nan 8.370 nan 0.000 0.446 250 L N 0.713 121.967 121.223 0.051 0.000 2.137 250 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 250 L C 2.144 179.049 176.870 0.059 0.000 1.085 250 L CA 1.766 56.606 54.840 -0.000 0.000 0.760 250 L CB -1.365 40.627 42.059 -0.112 0.000 0.893 250 L HN 0.573 nan 8.230 nan 0.000 0.434 251 S N -0.962 114.771 115.700 0.053 0.000 2.359 251 S HA -0.216 4.254 4.470 -0.000 0.000 0.224 251 S C 1.891 176.537 174.600 0.077 0.000 1.035 251 S CA 1.351 59.592 58.200 0.068 0.000 1.018 251 S CB -0.234 62.988 63.200 0.037 0.000 0.876 251 S HN 0.532 nan 8.310 nan 0.000 0.448 252 E N -0.108 120.111 120.200 0.032 0.000 2.110 252 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 252 E C 1.704 178.331 176.600 0.046 0.000 0.988 252 E CA 0.787 57.190 56.400 0.005 0.000 0.804 252 E CB -0.192 29.466 29.700 -0.070 0.000 0.745 252 E HN 0.388 nan 8.360 nan 0.000 0.458 253 F N 0.560 120.495 119.950 -0.025 0.000 2.120 253 F HA -0.268 4.259 4.527 -0.000 0.000 0.300 253 F C 2.220 178.090 175.800 0.117 0.000 1.095 253 F CA 1.042 59.035 58.000 -0.012 0.000 1.249 253 F CB -0.649 38.192 39.000 -0.264 0.000 0.995 253 F HN -0.115 nan 8.300 nan 0.000 0.480 254 V N -0.368 119.752 119.914 0.343 0.000 2.223 254 V HA -0.324 3.795 4.120 -0.000 0.000 0.244 254 V C 2.337 178.544 176.094 0.189 0.000 1.045 254 V CA 2.461 64.928 62.300 0.277 0.000 1.000 254 V CB -1.602 30.346 31.823 0.207 0.000 0.635 254 V HN 0.433 nan 8.190 nan 0.000 0.445 255 T N -1.022 113.612 114.554 0.133 0.000 2.869 255 T HA -0.226 4.124 4.350 -0.000 0.000 0.270 255 T C 1.436 176.208 174.700 0.120 0.000 1.082 255 T CA 2.006 64.167 62.100 0.101 0.000 1.123 255 T CB -0.649 68.260 68.868 0.069 0.000 0.856 255 T HN 0.621 nan 8.240 nan 0.000 0.499 256 N N -0.041 118.746 118.700 0.146 0.000 2.388 256 N HA 0.301 5.041 4.740 -0.000 0.000 0.176 256 N C 1.260 176.899 175.510 0.215 0.000 1.062 256 N CA 0.264 53.409 53.050 0.158 0.000 0.895 256 N CB 0.225 38.785 38.487 0.122 0.000 1.018 256 N HN 0.314 nan 8.380 nan 0.000 0.456 257 L N -0.222 121.151 121.223 0.250 0.000 2.766 257 L HA 0.263 4.603 4.340 -0.000 0.000 0.241 257 L C -0.075 176.940 176.870 0.241 0.000 1.080 257 L CA 0.115 55.118 54.840 0.271 0.000 0.909 257 L CB 1.001 43.256 42.059 0.326 0.000 1.277 257 L HN -0.151 nan 8.230 nan 0.000 0.510 258 V N 3.512 123.556 119.914 0.216 0.000 2.299 258 V HA 0.151 4.271 4.120 -0.000 0.000 0.255 258 V C -1.251 174.942 176.094 0.164 0.000 1.100 258 V CA -0.758 61.651 62.300 0.182 0.000 0.938 258 V CB 0.542 32.451 31.823 0.142 0.000 1.139 258 V HN 0.108 nan 8.190 nan 0.000 0.490 259 P HA 0.024 nan 4.420 nan 0.000 0.247 259 P C -0.261 177.184 177.300 0.242 0.000 1.225 259 P CA 0.551 63.768 63.100 0.194 0.000 0.768 259 P CB 0.030 31.860 31.700 0.217 0.000 1.020 260 F N -1.018 118.948 119.950 0.027 0.000 2.625 260 F HA 0.223 4.750 4.527 -0.000 0.000 0.311 260 F C -2.263 173.539 175.800 0.004 0.000 0.999 260 F CA -1.482 56.517 58.000 -0.002 0.000 1.056 260 F CB -0.031 38.945 39.000 -0.039 0.000 1.311 260 F HN -0.327 nan 8.300 nan 0.000 0.548 261 P HA -0.278 nan 4.420 nan 0.000 0.227 261 P C 1.469 178.905 177.300 0.225 0.000 1.106 261 P CA 3.506 66.539 63.100 -0.112 0.000 0.998 261 P CB -0.054 31.442 31.700 -0.341 0.000 0.769 262 G N -1.487 107.573 108.800 0.432 0.000 2.433 262 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 262 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 262 G C 0.490 175.501 174.900 0.184 0.000 1.186 262 G CA 0.660 45.948 45.100 0.313 0.000 0.779 262 G HN 0.346 nan 8.290 nan 0.000 0.543 263 N N 0.945 119.690 118.700 0.075 0.000 2.819 263 N HA 0.334 5.074 4.740 -0.000 0.000 0.284 263 N C -0.226 175.329 175.510 0.075 0.000 1.196 263 N CA -0.026 52.938 53.050 -0.143 0.000 1.114 263 N CB 0.140 38.279 38.487 -0.580 0.000 1.437 263 N HN 0.731 nan 8.380 nan 0.000 0.518 264 H N -1.406 117.627 119.070 -0.061 0.000 2.492 264 H HA 0.320 4.876 4.556 -0.000 0.000 0.264 264 H C -1.031 174.048 175.328 -0.414 0.000 1.150 264 H CA -0.802 55.107 56.048 -0.232 0.000 0.962 264 H CB -0.538 29.001 29.762 -0.373 0.000 1.766 264 H HN 0.158 nan 8.280 nan 0.000 0.589 265 F N 2.226 122.244 119.950 0.113 0.000 2.334 265 F HA 0.387 4.913 4.527 -0.000 0.000 0.367 265 F C -0.169 175.631 175.800 -0.000 0.000 1.115 265 F CA -0.867 57.157 58.000 0.041 0.000 1.116 265 F CB 0.917 39.986 39.000 0.115 0.000 1.230 265 F HN 0.082 nan 8.300 nan 0.000 0.484 266 L N 2.157 123.433 121.223 0.088 0.000 2.358 266 L HA 0.744 5.083 4.340 -0.000 0.000 0.268 266 L C 0.065 176.943 176.870 0.013 0.000 1.032 266 L CA -0.779 54.092 54.840 0.051 0.000 0.805 266 L CB 1.659 43.760 42.059 0.071 0.000 1.253 266 L HN 0.383 nan 8.230 nan 0.000 0.452 267 T N 0.155 114.728 114.554 0.032 0.000 2.924 267 T HA 0.792 5.142 4.350 -0.000 0.000 0.291 267 T C -0.722 174.102 174.700 0.207 0.000 1.045 267 T CA -0.582 61.568 62.100 0.083 0.000 1.015 267 T CB 2.076 70.972 68.868 0.046 0.000 1.103 267 T HN 0.743 nan 8.240 nan 0.000 0.496 268 A N 1.491 124.437 122.820 0.209 0.000 2.475 268 A HA 0.883 5.203 4.320 -0.000 0.000 0.301 268 A C -0.248 177.302 177.584 -0.057 0.000 1.059 268 A CA -0.757 51.343 52.037 0.105 0.000 0.710 268 A CB 1.508 20.566 19.000 0.097 0.000 1.288 268 A HN 0.936 nan 8.150 nan 0.000 0.408 269 S N 0.040 115.494 115.700 -0.411 0.000 2.709 269 S HA 0.910 5.380 4.470 -0.000 0.000 0.302 269 S C -0.925 173.518 174.600 -0.262 0.000 1.127 269 S CA -0.594 57.247 58.200 -0.598 0.000 0.905 269 S CB 1.512 63.758 63.200 -1.591 0.000 1.151 269 S HN 1.377 nan 8.310 nan 0.000 0.510 270 F N -0.131 119.608 119.950 -0.351 0.000 2.588 270 F HA 0.764 5.290 4.527 -0.000 0.000 0.310 270 F C -1.063 174.592 175.800 -0.241 0.000 1.082 270 F CA -0.362 57.475 58.000 -0.272 0.000 0.929 270 F CB 1.941 40.820 39.000 -0.201 0.000 1.254 270 F HN 1.057 nan 8.300 nan 0.000 0.455 271 A N 6.364 128.547 122.820 -1.061 0.000 2.408 271 A HA 0.824 5.144 4.320 -0.000 0.000 0.295 271 A C -3.196 173.966 177.584 -0.704 0.000 1.040 271 A CA -1.485 50.188 52.037 -0.607 0.000 0.707 271 A CB 2.098 20.853 19.000 -0.409 0.000 1.235 271 A HN 0.397 nan 8.150 nan 0.000 0.418 272 P HA 0.769 nan 4.420 nan 0.000 0.287 272 P C -0.713 176.724 177.300 0.228 0.000 1.292 272 P CA -0.567 62.546 63.100 0.021 0.000 0.879 272 P CB 1.791 33.531 31.700 0.067 0.000 1.214 286 F N 1.024 120.971 119.950 -0.005 0.000 2.549 286 F HA 0.495 5.022 4.527 -0.000 0.000 0.275 286 F C -1.472 174.322 175.800 -0.010 0.000 0.990 286 F CA 0.130 58.118 58.000 -0.020 0.000 1.274 286 F CB -0.229 38.723 39.000 -0.080 0.000 1.064 286 F HN 0.384 nan 8.300 nan 0.000 0.715 287 P HA -0.123 nan 4.420 nan 0.000 0.218 287 P C 0.641 177.957 177.300 0.027 0.000 1.146 287 P CA 1.927 65.122 63.100 0.158 0.000 0.813 287 P CB 0.015 31.792 31.700 0.128 0.000 0.778 288 D N -1.175 119.235 120.400 0.015 0.000 2.123 288 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 288 D C 1.945 178.221 176.300 -0.040 0.000 0.976 288 D CA 0.728 54.728 54.000 -0.000 0.000 0.831 288 D CB -0.923 39.887 40.800 0.016 0.000 0.974 288 D HN 0.115 nan 8.370 nan 0.000 0.469 289 L N 0.613 121.772 121.223 -0.107 0.000 1.976 289 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 289 L C 2.167 178.993 176.870 -0.074 0.000 1.071 289 L CA 1.558 56.321 54.840 -0.129 0.000 0.746 289 L CB -0.297 41.647 42.059 -0.190 0.000 0.890 289 L HN 0.003 nan 8.230 nan 0.000 0.432 290 A N -0.284 122.413 122.820 -0.204 0.000 2.024 290 A HA -0.269 4.050 4.320 -0.000 0.000 0.220 290 A C 2.375 180.045 177.584 0.143 0.000 1.164 290 A CA 1.868 53.944 52.037 0.066 0.000 0.643 290 A CB -0.649 18.252 19.000 -0.164 0.000 0.806 290 A HN 0.559 nan 8.150 nan 0.000 0.451 291 R N -0.427 120.105 120.500 0.053 0.000 2.055 291 R HA -0.104 4.236 4.340 -0.000 0.000 0.226 291 R C 2.159 178.512 176.300 0.088 0.000 1.135 291 R CA 1.557 57.702 56.100 0.075 0.000 0.959 291 R CB -0.317 30.004 30.300 0.036 0.000 0.854 291 R HN 0.630 nan 8.270 nan 0.000 0.431 292 E N -0.354 119.866 120.200 0.033 0.000 2.051 292 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 292 E C 1.615 178.194 176.600 -0.035 0.000 0.991 292 E CA 2.018 58.416 56.400 -0.004 0.000 0.799 292 E CB -0.032 29.645 29.700 -0.039 0.000 0.748 292 E HN 0.282 nan 8.360 nan 0.000 0.449 293 T N 0.001 114.519 114.554 -0.059 0.000 2.721 293 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 293 T C 0.351 174.936 174.700 -0.191 0.000 1.038 293 T CA 1.180 63.159 62.100 -0.202 0.000 1.145 293 T CB -0.240 68.499 68.868 -0.215 0.000 0.858 293 T HN 0.099 nan 8.240 nan 0.000 0.459 294 F N 1.359 121.337 119.950 0.046 0.000 2.732 294 F HA 0.588 5.115 4.527 -0.000 0.000 0.312 294 F C 0.345 176.261 175.800 0.193 0.000 1.240 294 F CA -1.035 57.114 58.000 0.247 0.000 1.211 294 F CB 0.133 39.267 39.000 0.223 0.000 1.331 294 F HN -0.007 nan 8.300 nan 0.000 0.537 295 A N 0.579 123.550 122.820 0.250 0.000 2.319 295 A HA 0.414 4.734 4.320 -0.000 0.000 0.310 295 A C 0.950 178.563 177.584 0.048 0.000 1.152 295 A CA -0.516 51.572 52.037 0.085 0.000 0.783 295 A CB 0.936 19.955 19.000 0.032 0.000 1.184 295 A HN 0.539 nan 8.150 nan 0.000 0.474 296 Q N 1.319 120.900 119.800 -0.364 0.000 1.991 296 Q HA -0.269 4.071 4.340 -0.000 0.000 0.213 296 Q C 0.703 176.658 176.000 -0.075 0.000 1.022 296 Q CA 2.316 57.648 55.803 -0.785 0.000 0.877 296 Q CB -0.170 27.879 28.738 -1.149 0.000 0.970 296 Q HN 0.876 nan 8.270 nan 0.000 0.414 297 D N -0.046 120.313 120.400 -0.068 0.000 2.280 297 D HA -0.140 4.500 4.640 -0.000 0.000 0.206 297 D C 1.078 177.436 176.300 0.096 0.000 0.988 297 D CA 0.941 54.964 54.000 0.039 0.000 0.886 297 D CB -0.219 40.583 40.800 0.004 0.000 0.914 297 D HN 0.221 nan 8.370 nan 0.000 0.473 298 N N -1.029 117.735 118.700 0.106 0.000 2.398 298 N HA 0.034 4.774 4.740 -0.000 0.000 0.188 298 N C -0.260 175.252 175.510 0.003 0.000 1.122 298 N CA 0.016 53.089 53.050 0.037 0.000 0.866 298 N CB 0.227 38.678 38.487 -0.061 0.000 0.970 298 N HN -0.002 nan 8.380 nan 0.000 0.462 299 F N -0.531 119.484 119.950 0.108 0.000 2.378 299 F HA 0.261 4.788 4.527 -0.000 0.000 0.325 299 F C 1.299 177.161 175.800 0.104 0.000 1.097 299 F CA -0.425 57.662 58.000 0.145 0.000 1.079 299 F CB 1.118 40.302 39.000 0.306 0.000 1.240 299 F HN -0.219 nan 8.300 nan 0.000 0.519 300 T N 2.174 116.875 114.554 0.246 0.000 3.218 300 T HA 0.633 4.983 4.350 -0.000 0.000 0.241 300 T C -0.510 174.249 174.700 0.099 0.000 0.929 300 T CA -0.138 62.043 62.100 0.135 0.000 0.979 300 T CB -0.658 68.263 68.868 0.088 0.000 1.129 300 T HN 0.656 nan 8.240 nan 0.000 0.559 301 A N 0.360 123.238 122.820 0.097 0.000 2.583 301 A HA 0.718 5.038 4.320 -0.000 0.000 0.298 301 A C 0.351 177.885 177.584 -0.083 0.000 1.055 301 A CA -0.632 51.380 52.037 -0.042 0.000 0.714 301 A CB 0.260 19.188 19.000 -0.119 0.000 1.277 301 A HN 0.289 nan 8.150 nan 0.000 0.406 302 A N 2.645 125.374 122.820 -0.152 0.000 2.268 302 A HA 0.412 4.732 4.320 -0.000 0.000 0.221 302 A C 1.015 178.407 177.584 -0.320 0.000 1.287 302 A CA 0.274 52.217 52.037 -0.156 0.000 0.902 302 A CB -1.156 17.762 19.000 -0.136 0.000 0.877 302 A HN 1.765 nan 8.150 nan 0.000 0.487 303 I N -1.691 118.555 120.570 -0.540 0.000 3.017 303 I HA -0.066 4.104 4.170 -0.000 0.000 0.310 303 I C -0.125 175.504 176.117 -0.813 0.000 1.220 303 I CA 0.380 61.167 61.300 -0.854 0.000 1.450 303 I CB -0.086 37.088 38.000 -1.376 0.000 1.317 303 I HN 0.223 nan 8.210 nan 0.000 0.570 304 D N 6.349 126.370 120.400 -0.631 0.000 2.541 304 D HA 0.013 4.653 4.640 -0.000 0.000 0.231 304 D C 0.841 176.931 176.300 -0.350 0.000 1.163 304 D CA -0.207 53.573 54.000 -0.368 0.000 1.077 304 D CB -0.558 40.088 40.800 -0.257 0.000 1.110 304 D HN 0.598 nan 8.370 nan 0.000 0.499 305 W N 1.444 122.593 121.300 -0.251 0.000 2.389 305 W HA -0.177 4.483 4.660 -0.000 0.000 0.267 305 W C 2.175 178.663 176.519 -0.052 0.000 1.219 305 W CA 0.195 57.436 57.345 -0.173 0.000 1.189 305 W CB 0.020 29.415 29.460 -0.108 0.000 1.129 305 W HN 0.406 nan 8.180 nan 0.000 0.581 306 Q N 0.060 119.947 119.800 0.145 0.000 1.922 306 Q HA -0.171 4.168 4.340 -0.000 0.000 0.201 306 Q C 1.615 177.668 176.000 0.087 0.000 0.979 306 Q CA 1.307 57.175 55.803 0.110 0.000 0.841 306 Q CB -0.631 28.146 28.738 0.065 0.000 0.903 306 Q HN 0.384 nan 8.270 nan 0.000 0.431 307 Q N 0.274 120.098 119.800 0.040 0.000 2.228 307 Q HA 0.285 4.625 4.340 -0.000 0.000 0.211 307 Q C 0.094 176.117 176.000 0.039 0.000 0.890 307 Q CA -0.231 55.595 55.803 0.038 0.000 0.953 307 Q CB 0.543 29.291 28.738 0.017 0.000 1.053 307 Q HN 0.090 nan 8.270 nan 0.000 0.471 308 G N 0.694 109.528 108.800 0.056 0.000 2.417 308 G HA2 0.564 4.524 3.960 -0.000 0.000 0.334 308 G HA3 0.564 4.524 3.960 -0.000 0.000 0.334 308 G C -0.735 174.394 174.900 0.382 0.000 1.150 308 G CA -0.571 44.591 45.100 0.102 0.000 0.923 308 G HN 0.166 nan 8.290 nan 0.000 0.485 309 V N -0.828 119.251 119.914 0.276 0.000 2.962 309 V HA 0.668 4.788 4.120 -0.000 0.000 0.313 309 V C -0.840 174.979 176.094 -0.459 0.000 1.099 309 V CA -1.611 60.687 62.300 -0.004 0.000 0.971 309 V CB 1.189 33.022 31.823 0.016 0.000 1.028 309 V HN 0.618 nan 8.190 nan 0.000 0.430 310 Y N 2.222 122.050 120.300 -0.786 0.000 2.426 310 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 310 Y C 0.846 176.444 175.900 -0.502 0.000 1.256 310 Y CA 0.378 57.919 58.100 -0.932 0.000 1.451 310 Y CB 1.067 38.678 38.460 -1.415 0.000 1.342 310 Y HN 0.597 nan 8.280 nan 0.000 0.600 311 L N 0.944 122.083 121.223 -0.140 0.000 2.746 311 L HA 0.525 4.865 4.340 -0.000 0.000 0.230 311 L C -0.222 176.870 176.870 0.370 0.000 1.034 311 L CA 0.588 55.539 54.840 0.186 0.000 0.922 311 L CB 0.295 42.478 42.059 0.207 0.000 1.496 311 L HN 0.626 nan 8.230 nan 0.000 0.498 312 A N -0.573 122.430 122.820 0.306 0.000 2.500 312 A HA 0.835 5.154 4.320 -0.000 0.000 0.291 312 A C -1.053 176.771 177.584 0.400 0.000 1.048 312 A CA 0.133 52.428 52.037 0.430 0.000 0.791 312 A CB 0.687 19.881 19.000 0.323 0.000 1.309 312 A HN 0.116 nan 8.150 nan 0.000 0.397 313 A N 0.960 124.092 122.820 0.521 0.000 2.309 313 A HA 1.007 5.326 4.320 -0.000 0.000 0.317 313 A C 0.094 177.936 177.584 0.429 0.000 1.134 313 A CA -0.200 52.148 52.037 0.518 0.000 0.866 313 A CB 1.475 20.907 19.000 0.719 0.000 1.329 313 A HN 2.298 nan 8.150 nan 0.000 0.477 314 S N -0.927 115.026 115.700 0.421 0.000 2.511 314 S HA 0.561 5.031 4.470 -0.000 0.000 0.283 314 S C -0.837 173.938 174.600 0.292 0.000 1.078 314 S CA 0.193 58.590 58.200 0.329 0.000 0.994 314 S CB 0.313 63.667 63.200 0.257 0.000 1.171 314 S HN 2.112 nan 8.310 nan 0.000 0.444 315 A N 3.230 126.255 122.820 0.342 0.000 2.320 315 A HA 0.943 5.263 4.320 -0.000 0.000 0.334 315 A C -0.970 176.679 177.584 0.109 0.000 1.147 315 A CA -0.697 51.459 52.037 0.199 0.000 0.820 315 A CB 1.386 20.690 19.000 0.506 0.000 1.218 315 A HN 1.425 nan 8.150 nan 0.000 0.482 316 L N 2.003 123.137 121.223 -0.147 0.000 2.568 316 L HA 0.653 4.992 4.340 -0.000 0.000 0.262 316 L C -1.940 174.856 176.870 -0.123 0.000 0.980 316 L CA -0.288 54.560 54.840 0.013 0.000 0.882 316 L CB 0.563 42.648 42.059 0.043 0.000 1.198 316 L HN 0.517 nan 8.230 nan 0.000 0.425 317 F N 3.903 123.955 119.950 0.169 0.000 2.397 317 F HA 0.789 5.316 4.527 -0.000 0.000 0.331 317 F C 0.548 176.511 175.800 0.272 0.000 1.090 317 F CA -0.470 57.630 58.000 0.165 0.000 1.065 317 F CB 1.288 40.406 39.000 0.196 0.000 1.184 317 F HN 0.442 nan 8.300 nan 0.000 0.499 318 R N 0.853 121.554 120.500 0.335 0.000 2.604 318 R HA 0.846 5.186 4.340 -0.000 0.000 0.281 318 R C -0.220 176.208 176.300 0.214 0.000 1.020 318 R CA -0.727 55.480 56.100 0.177 0.000 0.899 318 R CB 1.921 32.248 30.300 0.045 0.000 1.205 318 R HN 0.883 nan 8.270 nan 0.000 0.450 319 G N 2.117 111.041 108.800 0.207 0.000 1.844 319 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.177 319 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.177 319 G C -1.168 173.902 174.900 0.284 0.000 1.010 319 G CA -0.116 45.103 45.100 0.198 0.000 1.257 319 G HN 0.576 nan 8.290 nan 0.000 0.428 326 V N 0.450 120.165 119.914 -0.331 0.000 2.575 326 V HA 0.006 4.126 4.120 -0.000 0.000 0.242 326 V C 0.861 176.877 176.094 -0.131 0.000 1.045 326 V CA 1.319 63.464 62.300 -0.258 0.000 1.065 326 V CB -0.022 31.690 31.823 -0.185 0.000 0.717 326 V HN 0.092 nan 8.190 nan 0.000 0.467 327 D N 0.618 120.958 120.400 -0.100 0.000 2.403 327 D HA -0.075 4.565 4.640 -0.000 0.000 0.260 327 D C 1.250 177.510 176.300 -0.066 0.000 1.243 327 D CA 0.722 54.691 54.000 -0.053 0.000 0.918 327 D CB 0.508 41.285 40.800 -0.038 0.000 0.939 327 D HN 0.723 nan 8.370 nan 0.000 0.507 328 E N 0.069 120.212 120.200 -0.095 0.000 2.629 328 E HA -0.021 4.329 4.350 -0.000 0.000 0.197 328 E C 0.848 177.401 176.600 -0.077 0.000 0.955 328 E CA -0.207 56.138 56.400 -0.092 0.000 1.191 328 E CB 0.245 29.870 29.700 -0.125 0.000 1.175 328 E HN -0.102 nan 8.360 nan 0.000 0.501 329 N N 1.151 119.798 118.700 -0.087 0.000 2.567 329 N HA -0.030 4.709 4.740 -0.000 0.000 0.195 329 N C 1.216 176.709 175.510 -0.028 0.000 1.242 329 N CA 0.207 53.229 53.050 -0.047 0.000 0.884 329 N CB 0.119 38.599 38.487 -0.011 0.000 1.007 329 N HN 0.266 nan 8.380 nan 0.000 0.450 330 M N 0.562 120.145 119.600 -0.028 0.000 2.066 330 M HA -0.080 4.399 4.480 -0.000 0.000 0.259 330 M C 1.832 178.106 176.300 -0.042 0.000 1.074 330 M CA 1.480 56.771 55.300 -0.016 0.000 1.114 330 M CB -0.748 31.853 32.600 0.002 0.000 1.306 330 M HN 0.220 nan 8.290 nan 0.000 0.411 331 A N -0.302 122.493 122.820 -0.043 0.000 1.986 331 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 331 A C 2.064 179.613 177.584 -0.058 0.000 1.171 331 A CA 2.398 54.404 52.037 -0.052 0.000 0.640 331 A CB -1.311 17.663 19.000 -0.045 0.000 0.811 331 A HN 0.671 nan 8.150 nan 0.000 0.451 332 T N -0.156 114.366 114.554 -0.053 0.000 2.821 332 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 332 T C 1.691 176.349 174.700 -0.070 0.000 1.046 332 T CA 1.545 63.614 62.100 -0.050 0.000 1.139 332 T CB -0.277 68.569 68.868 -0.037 0.000 0.871 332 T HN 0.329 nan 8.240 nan 0.000 0.454 333 I N 0.727 121.238 120.570 -0.099 0.000 2.233 333 I HA 0.022 4.192 4.170 -0.000 0.000 0.243 333 I C 2.507 178.517 176.117 -0.178 0.000 1.093 333 I CA 0.936 62.129 61.300 -0.179 0.000 1.380 333 I CB -0.458 37.366 38.000 -0.294 0.000 1.067 333 I HN -0.005 nan 8.210 nan 0.000 0.413 334 R N 0.583 121.001 120.500 -0.136 0.000 2.211 334 R HA -0.205 4.135 4.340 -0.000 0.000 0.240 334 R C 2.056 178.306 176.300 -0.083 0.000 1.144 334 R CA 1.065 57.101 56.100 -0.106 0.000 0.992 334 R CB -0.276 29.951 30.300 -0.122 0.000 0.869 334 R HN 0.366 nan 8.270 nan 0.000 0.462 335 K N -0.346 120.008 120.400 -0.076 0.000 2.365 335 K HA 0.012 4.332 4.320 -0.000 0.000 0.197 335 K C 1.607 178.180 176.600 -0.045 0.000 1.042 335 K CA 0.673 56.929 56.287 -0.052 0.000 0.987 335 K CB 0.315 32.789 32.500 -0.043 0.000 0.779 335 K HN 0.025 nan 8.250 nan 0.000 0.484 336 S N 1.103 116.762 115.700 -0.069 0.000 2.348 336 S HA 0.024 4.494 4.470 -0.000 0.000 0.219 336 S C 0.770 175.332 174.600 -0.063 0.000 1.033 336 S CA 0.414 58.578 58.200 -0.059 0.000 0.974 336 S CB -0.174 62.976 63.200 -0.083 0.000 0.868 336 S HN 0.166 nan 8.310 nan 0.000 0.459 337 L N 3.316 124.457 121.223 -0.137 0.000 2.426 337 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 337 L C 0.149 176.971 176.870 -0.079 0.000 1.169 337 L CA -0.190 54.480 54.840 -0.284 0.000 0.836 337 L CB -0.214 41.486 42.059 -0.598 0.000 1.112 337 L HN 0.418 nan 8.230 nan 0.000 0.465 338 N N 1.202 119.875 118.700 -0.046 0.000 2.626 338 N HA 0.334 5.074 4.740 -0.000 0.000 0.242 338 N C -1.026 174.563 175.510 0.132 0.000 1.005 338 N CA -0.809 52.299 53.050 0.097 0.000 0.905 338 N CB 0.670 39.212 38.487 0.092 0.000 1.128 338 N HN 0.312 nan 8.380 nan 0.000 0.512 339 Y N 1.495 121.777 120.300 -0.030 0.000 2.281 339 Y HA 0.340 4.890 4.550 -0.000 0.000 0.337 339 Y C 1.325 177.166 175.900 -0.099 0.000 1.304 339 Y CA -0.840 57.253 58.100 -0.012 0.000 1.465 339 Y CB 0.467 38.918 38.460 -0.014 0.000 1.350 339 Y HN 0.596 nan 8.280 nan 0.000 0.575 340 A N 0.578 123.369 122.820 -0.047 0.000 2.492 340 A HA 0.163 4.483 4.320 -0.000 0.000 0.236 340 A C 1.527 178.902 177.584 -0.349 0.000 1.078 340 A CA 0.308 52.148 52.037 -0.328 0.000 0.773 340 A CB -0.378 18.137 19.000 -0.808 0.000 1.023 340 A HN 0.933 nan 8.150 nan 0.000 0.504 341 S N 0.948 116.467 115.700 -0.302 0.000 2.353 341 S HA -0.280 4.189 4.470 -0.000 0.000 0.222 341 S C 1.752 176.284 174.600 -0.113 0.000 1.035 341 S CA 2.016 60.130 58.200 -0.143 0.000 1.025 341 S CB -1.199 61.972 63.200 -0.048 0.000 0.902 341 S HN 1.292 nan 8.310 nan 0.000 0.440 342 Y N 1.518 121.853 120.300 0.059 0.000 2.446 342 Y HA 0.200 4.750 4.550 -0.000 0.000 0.287 342 Y C 1.040 176.971 175.900 0.053 0.000 1.159 342 Y CA -0.500 57.630 58.100 0.050 0.000 1.297 342 Y CB -1.150 37.338 38.460 0.046 0.000 0.974 342 Y HN 0.153 nan 8.280 nan 0.000 0.557 343 M N 3.565 123.225 119.600 0.099 0.000 2.233 343 M HA 0.223 4.703 4.480 -0.000 0.000 0.350 343 M C -2.273 174.050 176.300 0.037 0.000 1.176 343 M CA -2.318 53.069 55.300 0.144 0.000 1.150 343 M CB 0.110 32.781 32.600 0.118 0.000 1.530 343 M HN 0.029 nan 8.290 nan 0.000 0.459 344 P HA 0.145 nan 4.420 nan 0.000 0.271 344 P C 0.117 177.367 177.300 -0.084 0.000 1.220 344 P CA 0.056 63.146 63.100 -0.017 0.000 0.768 344 P CB 0.454 32.151 31.700 -0.004 0.000 0.848 345 A N 4.408 127.187 122.820 -0.069 0.000 2.292 345 A HA -0.212 4.107 4.320 -0.000 0.000 0.215 345 A C 1.405 178.907 177.584 -0.135 0.000 1.339 345 A CA 1.914 53.896 52.037 -0.092 0.000 0.895 345 A CB -1.651 17.316 19.000 -0.055 0.000 0.795 345 A HN 0.646 nan 8.150 nan 0.000 0.529 346 S N -1.013 114.630 115.700 -0.096 0.000 2.572 346 S HA 0.459 4.929 4.470 -0.000 0.000 0.279 346 S C 0.423 174.958 174.600 -0.109 0.000 1.341 346 S CA 0.733 58.874 58.200 -0.099 0.000 1.043 346 S CB -0.402 62.761 63.200 -0.061 0.000 0.887 346 S HN 2.389 nan 8.310 nan 0.000 0.516 347 G N 1.862 110.593 108.800 -0.115 0.000 2.690 347 G HA2 0.395 4.355 3.960 -0.000 0.000 0.686 347 G HA3 0.395 4.355 3.960 -0.000 0.000 0.686 347 G C 0.648 175.444 174.900 -0.172 0.000 1.277 347 G CA 0.050 45.095 45.100 -0.092 0.000 0.799 347 G HN 2.160 nan 8.290 nan 0.000 0.613 348 G N -1.821 106.933 108.800 -0.077 0.000 2.201 348 G HA2 0.258 4.218 3.960 -0.000 0.000 0.212 348 G HA3 0.258 4.218 3.960 -0.000 0.000 0.212 348 G C 0.135 175.104 174.900 0.114 0.000 0.994 348 G CA 0.964 46.035 45.100 -0.048 0.000 0.644 348 G HN 2.326 nan 8.290 nan 0.000 0.508 349 L N 0.685 121.954 121.223 0.078 0.000 2.470 349 L HA 0.837 5.177 4.340 -0.000 0.000 0.268 349 L C -0.871 176.088 176.870 0.148 0.000 0.964 349 L CA -1.227 53.730 54.840 0.195 0.000 0.839 349 L CB 1.489 43.660 42.059 0.186 0.000 1.276 349 L HN 0.114 nan 8.230 nan 0.000 0.403 350 K N 5.231 125.745 120.400 0.188 0.000 2.324 350 K HA 0.722 5.042 4.320 -0.000 0.000 0.253 350 K C -1.610 175.110 176.600 0.200 0.000 0.932 350 K CA -0.826 55.553 56.287 0.153 0.000 0.799 350 K CB 2.346 34.917 32.500 0.120 0.000 1.154 350 K HN 0.372 nan 8.250 nan 0.000 0.425 351 L N 1.510 122.850 121.223 0.194 0.000 2.322 351 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 351 L C 0.515 177.528 176.870 0.238 0.000 1.014 351 L CA -0.165 54.838 54.840 0.272 0.000 0.815 351 L CB 1.763 44.008 42.059 0.310 0.000 1.247 351 L HN 0.813 nan 8.230 nan 0.000 0.421 352 G N 0.693 109.659 108.800 0.276 0.000 2.932 352 G HA2 0.625 4.585 3.960 -0.000 0.000 0.283 352 G HA3 0.625 4.585 3.960 -0.000 0.000 0.283 352 G C -2.144 172.985 174.900 0.383 0.000 1.336 352 G CA -0.299 44.949 45.100 0.246 0.000 1.056 352 G HN 0.380 nan 8.290 nan 0.000 0.522 353 Y N -0.991 119.397 120.300 0.146 0.000 2.558 353 Y HA 0.631 5.181 4.550 -0.000 0.000 0.333 353 Y C -0.991 174.972 175.900 0.104 0.000 1.125 353 Y CA -0.993 57.197 58.100 0.150 0.000 1.039 353 Y CB 1.792 40.324 38.460 0.120 0.000 1.331 353 Y HN 0.985 nan 8.280 nan 0.000 0.456 354 A N 4.304 126.727 122.820 -0.662 0.000 2.427 354 A HA 0.476 4.796 4.320 -0.000 0.000 0.298 354 A C 0.075 177.086 177.584 -0.954 0.000 1.036 354 A CA -0.226 51.444 52.037 -0.612 0.000 0.701 354 A CB 1.021 19.950 19.000 -0.119 0.000 1.250 354 A HN 0.897 nan 8.150 nan 0.000 0.412 355 E N 1.014 120.740 120.200 -0.791 0.000 2.152 355 E HA -0.043 4.307 4.350 -0.000 0.000 0.192 355 E C -0.027 176.382 176.600 -0.319 0.000 0.983 355 E CA 1.228 57.333 56.400 -0.492 0.000 0.818 355 E CB -0.303 29.220 29.700 -0.295 0.000 0.758 355 E HN 0.449 nan 8.360 nan 0.000 0.467 356 T N 2.047 116.333 114.554 -0.447 0.000 2.739 356 T HA 0.482 4.831 4.350 -0.000 0.000 0.298 356 T C -0.171 174.472 174.700 -0.096 0.000 0.929 356 T CA -0.219 61.677 62.100 -0.339 0.000 1.014 356 T CB 1.098 69.559 68.868 -0.678 0.000 0.914 356 T HN 0.309 nan 8.240 nan 0.000 0.509 357 A N 5.873 128.691 122.820 -0.003 0.000 2.279 357 A HA 0.737 5.056 4.320 -0.000 0.000 0.303 357 A C -2.119 175.550 177.584 0.142 0.000 1.108 357 A CA -1.926 50.164 52.037 0.089 0.000 0.830 357 A CB 0.133 19.208 19.000 0.126 0.000 1.106 357 A HN 0.532 nan 8.150 nan 0.000 0.493 358 P HA 0.050 nan 4.420 nan 0.000 0.271 358 P C -0.320 177.191 177.300 0.353 0.000 1.216 358 P CA -0.100 63.137 63.100 0.229 0.000 0.771 358 P CB 0.471 32.289 31.700 0.197 0.000 0.864 359 E N 1.336 121.675 120.200 0.232 0.000 2.558 359 E HA 0.142 4.492 4.350 -0.000 0.000 0.255 359 E C 1.086 177.786 176.600 0.167 0.000 0.968 359 E CA 1.085 57.587 56.400 0.169 0.000 0.939 359 E CB -0.484 29.270 29.700 0.089 0.000 0.921 359 E HN 0.809 nan 8.360 nan 0.000 0.477 360 G N 3.560 112.362 108.800 0.003 0.000 2.211 360 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.201 360 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.201 360 G C -0.396 174.099 174.900 -0.676 0.000 0.997 360 G CA -0.136 44.751 45.100 -0.354 0.000 0.652 360 G HN 0.439 nan 8.290 nan 0.000 0.500 361 F N -0.408 119.589 119.950 0.078 0.000 2.588 361 F HA 0.787 5.314 4.527 -0.000 0.000 0.314 361 F C 1.095 176.934 175.800 0.065 0.000 1.069 361 F CA -0.377 57.673 58.000 0.083 0.000 0.931 361 F CB 1.634 40.708 39.000 0.124 0.000 1.260 361 F HN 0.072 nan 8.300 nan 0.000 0.465 362 A N 0.915 123.869 122.820 0.223 0.000 1.935 362 A HA 0.330 4.650 4.320 -0.000 0.000 0.214 362 A C 0.358 178.043 177.584 0.168 0.000 1.178 362 A CA 1.209 53.336 52.037 0.149 0.000 0.640 362 A CB -0.331 18.736 19.000 0.112 0.000 0.825 362 A HN 0.804 nan 8.150 nan 0.000 0.447 363 S N -1.414 114.406 115.700 0.199 0.000 2.556 363 S HA 0.568 5.038 4.470 -0.000 0.000 0.280 363 S C -0.644 174.023 174.600 0.112 0.000 1.141 363 S CA 0.008 58.311 58.200 0.172 0.000 0.883 363 S CB 1.125 64.440 63.200 0.191 0.000 1.103 363 S HN 1.173 nan 8.310 nan 0.000 0.453 364 S N 1.531 117.236 115.700 0.008 0.000 2.740 364 S HA 1.007 5.477 4.470 -0.000 0.000 0.300 364 S C 0.279 174.699 174.600 -0.300 0.000 1.147 364 S CA -0.457 57.585 58.200 -0.263 0.000 0.871 364 S CB 1.159 64.023 63.200 -0.561 0.000 1.173 364 S HN 1.573 nan 8.310 nan 0.000 0.510 365 G N -0.399 108.029 108.800 -0.619 0.000 2.990 365 G HA2 0.780 4.740 3.960 -0.000 0.000 0.208 365 G HA3 0.780 4.740 3.960 -0.000 0.000 0.208 365 G C -1.180 173.330 174.900 -0.650 0.000 1.334 365 G CA -0.910 43.799 45.100 -0.652 0.000 1.024 365 G HN 1.379 nan 8.290 nan 0.000 0.574 366 L N -1.406 119.464 121.223 -0.589 0.000 4.834 366 L HA 0.516 4.856 4.340 -0.000 0.000 0.241 366 L C -1.789 174.849 176.870 -0.385 0.000 1.063 366 L CA -0.239 54.376 54.840 -0.375 0.000 0.963 366 L CB 0.627 42.588 42.059 -0.164 0.000 1.648 366 L HN 1.454 nan 8.230 nan 0.000 0.392 367 A N 6.276 128.859 122.820 -0.396 0.000 2.375 367 A HA 0.709 5.029 4.320 -0.000 0.000 0.291 367 A C -1.176 176.380 177.584 -0.047 0.000 1.160 367 A CA -0.451 51.374 52.037 -0.353 0.000 0.747 367 A CB 1.234 19.733 19.000 -0.835 0.000 1.170 367 A HN 0.620 nan 8.150 nan 0.000 0.458 368 L N 3.196 124.481 121.223 0.104 0.000 2.265 368 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 368 L C -0.835 176.187 176.870 0.253 0.000 1.058 368 L CA -0.540 54.422 54.840 0.203 0.000 0.809 368 L CB 1.404 43.621 42.059 0.263 0.000 1.179 368 L HN 0.448 nan 8.230 nan 0.000 0.429 369 V N 3.444 123.502 119.914 0.239 0.000 2.531 369 V HA 0.265 4.385 4.120 -0.000 0.000 0.301 369 V C -0.086 176.041 176.094 0.055 0.000 1.034 369 V CA -0.821 61.577 62.300 0.164 0.000 0.865 369 V CB 1.987 33.848 31.823 0.063 0.000 0.995 369 V HN 0.635 nan 8.190 nan 0.000 0.424 370 N N 3.553 122.309 118.700 0.094 0.000 2.602 370 N HA 0.198 4.938 4.740 -0.000 0.000 0.238 370 N C -0.752 174.777 175.510 0.033 0.000 1.084 370 N CA -0.039 53.082 53.050 0.120 0.000 0.952 370 N CB 0.197 38.818 38.487 0.224 0.000 1.244 370 N HN 0.918 nan 8.380 nan 0.000 0.512 371 H N 1.062 119.980 119.070 -0.253 0.000 2.466 371 H HA 0.144 4.700 4.556 -0.000 0.000 0.338 371 H C 1.364 176.488 175.328 -0.340 0.000 1.091 371 H CA -0.552 55.242 56.048 -0.423 0.000 1.207 371 H CB 1.329 30.595 29.762 -0.828 0.000 1.466 371 H HN 0.476 nan 8.280 nan 0.000 0.493 372 T N 0.509 115.198 114.554 0.224 0.000 2.977 372 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 372 T C 2.033 176.633 174.700 -0.166 0.000 1.105 372 T CA 0.817 62.999 62.100 0.137 0.000 1.116 372 T CB -0.348 68.649 68.868 0.216 0.000 0.878 372 T HN 0.690 nan 8.240 nan 0.000 0.509 373 G N 1.150 109.694 108.800 -0.427 0.000 2.509 373 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.218 373 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.218 373 G C 1.269 175.773 174.900 -0.660 0.000 1.124 373 G CA 0.449 45.143 45.100 -0.677 0.000 0.776 373 G HN 0.537 nan 8.290 nan 0.000 0.547 374 I N 1.629 121.777 120.570 -0.703 0.000 2.657 374 I HA -0.073 4.097 4.170 -0.000 0.000 0.261 374 I C 2.773 178.438 176.117 -0.753 0.000 1.212 374 I CA 0.749 61.600 61.300 -0.749 0.000 1.453 374 I CB -0.200 37.334 38.000 -0.776 0.000 1.092 374 I HN 0.173 nan 8.210 nan 0.000 0.452 375 A N 0.562 123.087 122.820 -0.492 0.000 1.948 375 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 375 A C 2.540 179.973 177.584 -0.253 0.000 1.177 375 A CA 1.874 53.791 52.037 -0.199 0.000 0.636 375 A CB -1.257 17.708 19.000 -0.058 0.000 0.815 375 A HN 0.559 nan 8.150 nan 0.000 0.449 376 A N -0.212 122.411 122.820 -0.327 0.000 1.852 376 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 376 A C 2.200 179.600 177.584 -0.307 0.000 1.215 376 A CA 2.544 54.415 52.037 -0.277 0.000 0.641 376 A CB -1.450 17.368 19.000 -0.303 0.000 0.838 376 A HN 0.691 nan 8.150 nan 0.000 0.450 377 V N -0.748 118.892 119.914 -0.457 0.000 2.277 377 V HA -0.397 3.723 4.120 -0.000 0.000 0.255 377 V C 2.356 178.210 176.094 -0.399 0.000 1.074 377 V CA 2.622 64.636 62.300 -0.477 0.000 1.058 377 V CB -1.353 30.064 31.823 -0.677 0.000 0.656 377 V HN 0.586 nan 8.190 nan 0.000 0.449 378 F N 0.262 120.061 119.950 -0.251 0.000 2.031 378 F HA -0.177 4.350 4.527 -0.000 0.000 0.295 378 F C 2.602 178.290 175.800 -0.187 0.000 1.133 378 F CA 1.805 59.658 58.000 -0.245 0.000 1.188 378 F CB -0.641 38.191 39.000 -0.281 0.000 0.974 378 F HN 0.085 nan 8.300 nan 0.000 0.473 379 E N 0.159 120.371 120.200 0.020 0.000 2.108 379 E HA -0.319 4.031 4.350 -0.000 0.000 0.203 379 E C 2.170 178.745 176.600 -0.042 0.000 1.022 379 E CA 1.641 58.025 56.400 -0.027 0.000 0.823 379 E CB -0.273 29.398 29.700 -0.047 0.000 0.744 379 E HN 0.274 nan 8.360 nan 0.000 0.456 380 R N 0.270 120.728 120.500 -0.070 0.000 2.113 380 R HA -0.202 4.137 4.340 -0.000 0.000 0.231 380 R C 2.228 178.508 176.300 -0.034 0.000 1.129 380 R CA 1.549 57.612 56.100 -0.063 0.000 0.915 380 R CB -0.349 29.894 30.300 -0.096 0.000 0.837 380 R HN 0.113 nan 8.270 nan 0.000 0.430 381 L N 1.278 122.479 121.223 -0.037 0.000 2.034 381 L HA -0.284 4.056 4.340 -0.000 0.000 0.217 381 L C 2.429 179.319 176.870 0.033 0.000 1.077 381 L CA 1.690 56.529 54.840 -0.002 0.000 0.769 381 L CB -1.323 40.734 42.059 -0.003 0.000 0.890 381 L HN 0.359 nan 8.230 nan 0.000 0.435 382 I N -0.252 120.309 120.570 -0.015 0.000 2.099 382 I HA -0.295 3.875 4.170 -0.000 0.000 0.239 382 I C 2.774 178.927 176.117 0.061 0.000 1.066 382 I CA 1.628 62.902 61.300 -0.043 0.000 1.324 382 I CB -1.764 36.180 38.000 -0.093 0.000 1.037 382 I HN 0.198 nan 8.210 nan 0.000 0.401 383 A N 0.809 123.649 122.820 0.033 0.000 1.881 383 A HA -0.307 4.012 4.320 -0.000 0.000 0.219 383 A C 2.299 179.935 177.584 0.087 0.000 1.215 383 A CA 2.409 54.475 52.037 0.050 0.000 0.648 383 A CB -1.031 17.979 19.000 0.016 0.000 0.832 383 A HN 0.614 nan 8.150 nan 0.000 0.455 384 Q N -1.811 118.031 119.800 0.069 0.000 2.014 384 Q HA -0.227 4.112 4.340 -0.000 0.000 0.207 384 Q C 2.003 178.072 176.000 0.115 0.000 0.993 384 Q CA 1.777 57.613 55.803 0.054 0.000 0.850 384 Q CB -0.477 28.268 28.738 0.012 0.000 0.916 384 Q HN 0.715 nan 8.270 nan 0.000 0.417 385 F N 2.395 122.351 119.950 0.009 0.000 2.032 385 F HA -0.373 4.153 4.527 -0.000 0.000 0.297 385 F C 1.819 177.730 175.800 0.185 0.000 1.125 385 F CA 2.132 60.196 58.000 0.108 0.000 1.202 385 F CB -0.285 38.734 39.000 0.031 0.000 0.958 385 F HN 0.088 nan 8.300 nan 0.000 0.491 386 D N 0.747 121.449 120.400 0.504 0.000 2.204 386 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 386 D C 2.396 178.846 176.300 0.250 0.000 1.006 386 D CA 2.087 56.311 54.000 0.373 0.000 0.855 386 D CB -0.594 40.338 40.800 0.221 0.000 0.946 386 D HN 0.238 nan 8.370 nan 0.000 0.448 387 I N 0.752 121.417 120.570 0.158 0.000 2.053 387 I HA -0.298 3.872 4.170 -0.000 0.000 0.236 387 I C 2.716 178.897 176.117 0.107 0.000 1.038 387 I CA 1.226 62.589 61.300 0.105 0.000 1.304 387 I CB -1.073 36.965 38.000 0.063 0.000 1.023 387 I HN 0.121 nan 8.210 nan 0.000 0.395 388 M N -0.464 119.188 119.600 0.087 0.000 2.110 388 M HA -0.304 4.176 4.480 -0.000 0.000 0.257 388 M C 2.457 178.852 176.300 0.159 0.000 1.071 388 M CA 2.205 57.558 55.300 0.089 0.000 1.096 388 M CB -0.625 31.953 32.600 -0.037 0.000 1.300 388 M HN 0.142 nan 8.290 nan 0.000 0.411 389 F N 1.514 121.480 119.950 0.025 0.000 2.091 389 F HA -0.294 4.233 4.527 -0.000 0.000 0.299 389 F C 1.805 177.569 175.800 -0.061 0.000 1.103 389 F CA 2.048 59.985 58.000 -0.105 0.000 1.228 389 F CB -0.433 38.369 39.000 -0.330 0.000 0.984 389 F HN 0.190 nan 8.300 nan 0.000 0.477 390 D N -0.231 120.234 120.400 0.108 0.000 2.351 390 D HA -0.140 4.500 4.640 -0.000 0.000 0.216 390 D C 1.110 177.434 176.300 0.038 0.000 0.968 390 D CA 1.071 55.094 54.000 0.038 0.000 0.899 390 D CB -0.498 40.382 40.800 0.132 0.000 0.907 390 D HN 0.458 nan 8.370 nan 0.000 0.514 391 N N -0.721 118.007 118.700 0.047 0.000 2.187 391 N HA 0.045 4.785 4.740 -0.000 0.000 0.212 391 N C -0.685 174.930 175.510 0.175 0.000 1.152 391 N CA -0.184 52.927 53.050 0.102 0.000 0.872 391 N CB 0.209 38.724 38.487 0.047 0.000 1.025 391 N HN 0.147 nan 8.380 nan 0.000 0.514 392 H N -0.953 118.007 119.070 -0.184 0.000 2.819 392 H HA -0.204 4.351 4.556 -0.000 0.000 0.315 392 H C 1.161 176.457 175.328 -0.053 0.000 1.242 392 H CA 0.134 56.082 56.048 -0.167 0.000 1.157 392 H CB -1.305 28.366 29.762 -0.152 0.000 1.451 392 H HN 0.389 nan 8.280 nan 0.000 0.430 393 A N 0.307 123.184 122.820 0.096 0.000 1.849 393 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 393 A C 1.290 178.883 177.584 0.015 0.000 1.225 393 A CA 2.139 54.226 52.037 0.084 0.000 0.653 393 A CB -0.416 18.728 19.000 0.240 0.000 0.844 393 A HN 0.504 nan 8.150 nan 0.000 0.453 394 Y N -1.819 118.713 120.300 0.387 0.000 2.738 394 Y HA 0.195 4.745 4.550 -0.000 0.000 0.249 394 Y C 1.968 178.179 175.900 0.518 0.000 1.153 394 Y CA 0.145 58.556 58.100 0.519 0.000 1.165 394 Y CB 0.102 38.858 38.460 0.493 0.000 1.235 394 Y HN 0.263 nan 8.280 nan 0.000 0.559 395 T N 0.068 114.869 114.554 0.412 0.000 2.721 395 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 395 T C 2.006 176.871 174.700 0.274 0.000 1.038 395 T CA 2.347 64.548 62.100 0.169 0.000 1.145 395 T CB -0.283 68.526 68.868 -0.098 0.000 0.858 395 T HN 0.664 nan 8.240 nan 0.000 0.459 396 H N -1.477 117.694 119.070 0.169 0.000 2.387 396 H HA -0.106 4.449 4.556 -0.000 0.000 0.299 396 H C 2.105 177.504 175.328 0.118 0.000 1.090 396 H CA 1.415 57.495 56.048 0.054 0.000 1.332 396 H CB -1.144 28.537 29.762 -0.135 0.000 1.386 396 H HN 0.539 nan 8.280 nan 0.000 0.516 397 W N 0.822 121.854 121.300 -0.447 0.000 2.364 397 W HA -0.123 4.537 4.660 0.000 0.000 0.281 397 W C 1.858 178.316 176.519 -0.100 0.000 1.219 397 W CA 0.872 58.058 57.345 -0.264 0.000 1.220 397 W CB -0.462 28.849 29.460 -0.249 0.000 1.127 397 W HN 0.155 nan 8.180 nan 0.000 0.556 398 Y N -0.191 120.234 120.300 0.208 0.000 2.269 398 Y HA -0.070 4.480 4.550 -0.000 0.000 0.294 398 Y C 2.263 178.249 175.900 0.144 0.000 1.120 398 Y CA 1.173 59.382 58.100 0.183 0.000 1.159 398 Y CB -0.867 37.672 38.460 0.131 0.000 1.024 398 Y HN -0.003 nan 8.280 nan 0.000 0.532 399 E N 0.328 120.688 120.200 0.266 0.000 2.028 399 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 399 E C 1.252 177.934 176.600 0.136 0.000 0.988 399 E CA 1.274 57.780 56.400 0.176 0.000 0.799 399 E CB -0.477 29.305 29.700 0.137 0.000 0.755 399 E HN 0.601 nan 8.360 nan 0.000 0.447 400 N N 0.215 118.985 118.700 0.117 0.000 2.635 400 N HA -0.050 4.690 4.740 -0.000 0.000 0.191 400 N C 0.783 176.346 175.510 0.090 0.000 1.155 400 N CA 0.157 53.259 53.050 0.085 0.000 0.927 400 N CB 0.180 38.705 38.487 0.064 0.000 0.976 400 N HN 0.051 nan 8.380 nan 0.000 0.448 401 A N -0.191 122.696 122.820 0.111 0.000 2.571 401 A HA 0.503 4.823 4.320 -0.000 0.000 0.274 401 A C 1.228 178.887 177.584 0.125 0.000 1.196 401 A CA 0.150 52.246 52.037 0.099 0.000 0.957 401 A CB 0.203 19.248 19.000 0.075 0.000 1.150 401 A HN 0.190 nan 8.150 nan 0.000 0.539 402 G N -1.258 107.624 108.800 0.137 0.000 2.130 402 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 402 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 402 G C -0.120 174.911 174.900 0.218 0.000 0.999 402 G CA 0.135 45.327 45.100 0.153 0.000 0.686 402 G HN 1.017 nan 8.290 nan 0.000 0.515 403 V N 2.001 122.057 119.914 0.237 0.000 2.439 403 V HA 0.565 4.685 4.120 -0.000 0.000 0.277 403 V C 0.776 176.987 176.094 0.195 0.000 1.008 403 V CA -0.266 62.191 62.300 0.261 0.000 0.846 403 V CB 1.245 33.304 31.823 0.394 0.000 1.031 403 V HN 0.933 nan 8.190 nan 0.000 0.441 404 S N 4.816 120.597 115.700 0.136 0.000 2.608 404 S HA 0.330 4.800 4.470 -0.000 0.000 0.261 404 S C 1.151 175.808 174.600 0.094 0.000 1.314 404 S CA -0.394 57.868 58.200 0.104 0.000 0.992 404 S CB 1.033 64.282 63.200 0.081 0.000 0.935 404 S HN 0.636 nan 8.310 nan 0.000 0.564 405 R N 0.332 120.891 120.500 0.099 0.000 2.115 405 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 405 R C 1.335 177.748 176.300 0.189 0.000 1.111 405 R CA 1.596 57.812 56.100 0.192 0.000 0.976 405 R CB -0.459 29.908 30.300 0.112 0.000 0.870 405 R HN 0.661 nan 8.270 nan 0.000 0.445 406 D N 0.581 121.044 120.400 0.105 0.000 2.097 406 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 406 D C 1.764 178.064 176.300 -0.000 0.000 0.989 406 D CA 1.143 55.178 54.000 0.058 0.000 0.827 406 D CB -0.142 40.684 40.800 0.043 0.000 0.966 406 D HN 0.127 nan 8.370 nan 0.000 0.456 407 M N -0.315 119.288 119.600 0.005 0.000 2.080 407 M HA -0.188 4.291 4.480 -0.000 0.000 0.260 407 M C 2.080 178.314 176.300 -0.109 0.000 1.068 407 M CA 1.375 56.655 55.300 -0.032 0.000 1.109 407 M CB 0.001 32.611 32.600 0.016 0.000 1.342 407 M HN -0.024 nan 8.290 nan 0.000 0.405 408 M N -0.460 119.078 119.600 -0.103 0.000 2.080 408 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 408 M C 2.334 178.478 176.300 -0.260 0.000 1.068 408 M CA 1.868 57.058 55.300 -0.182 0.000 1.109 408 M CB -0.652 31.837 32.600 -0.186 0.000 1.342 408 M HN 0.489 nan 8.290 nan 0.000 0.405 409 A N 0.367 123.021 122.820 -0.277 0.000 1.908 409 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 409 A C 2.140 179.538 177.584 -0.311 0.000 1.181 409 A CA 2.161 53.979 52.037 -0.365 0.000 0.627 409 A CB -0.758 18.147 19.000 -0.158 0.000 0.818 409 A HN 0.474 nan 8.150 nan 0.000 0.445 410 K N -0.388 119.886 120.400 -0.209 0.000 2.032 410 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 410 K C 2.212 178.660 176.600 -0.255 0.000 1.048 410 K CA 1.371 57.547 56.287 -0.186 0.000 0.927 410 K CB -0.402 32.024 32.500 -0.123 0.000 0.712 410 K HN 0.368 nan 8.250 nan 0.000 0.441 411 A N 1.891 124.534 122.820 -0.295 0.000 1.892 411 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 411 A C 2.198 179.515 177.584 -0.446 0.000 1.188 411 A CA 2.003 53.831 52.037 -0.348 0.000 0.631 411 A CB -0.756 18.011 19.000 -0.389 0.000 0.822 411 A HN 0.488 nan 8.150 nan 0.000 0.447 412 R N -0.113 120.003 120.500 -0.639 0.000 2.070 412 R HA -0.160 4.180 4.340 -0.000 0.000 0.233 412 R C 1.968 177.969 176.300 -0.500 0.000 1.137 412 R CA 1.887 57.504 56.100 -0.805 0.000 0.945 412 R CB -0.646 28.839 30.300 -1.357 0.000 0.845 412 R HN 0.715 nan 8.270 nan 0.000 0.430 413 N N -0.007 118.456 118.700 -0.395 0.000 2.137 413 N HA -0.281 4.459 4.740 -0.000 0.000 0.190 413 N C 1.922 177.291 175.510 -0.234 0.000 1.017 413 N CA 1.621 54.513 53.050 -0.264 0.000 0.859 413 N CB -0.106 38.262 38.487 -0.198 0.000 1.002 413 N HN 0.328 nan 8.380 nan 0.000 0.428 414 Q N 1.047 120.700 119.800 -0.244 0.000 2.016 414 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 414 Q C 1.834 177.679 176.000 -0.258 0.000 0.978 414 Q CA 1.271 56.947 55.803 -0.212 0.000 0.833 414 Q CB -0.090 28.534 28.738 -0.189 0.000 0.895 414 Q HN 0.245 nan 8.270 nan 0.000 0.427 415 I N 0.979 121.352 120.570 -0.327 0.000 2.454 415 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 415 I C 2.170 178.062 176.117 -0.374 0.000 1.156 415 I CA 1.322 62.371 61.300 -0.419 0.000 1.433 415 I CB -1.718 36.020 38.000 -0.437 0.000 1.082 415 I HN 0.394 nan 8.210 nan 0.000 0.432 416 A N 0.594 123.240 122.820 -0.290 0.000 1.877 416 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 416 A C 2.431 179.913 177.584 -0.170 0.000 1.186 416 A CA 2.371 54.282 52.037 -0.210 0.000 0.620 416 A CB -1.004 17.879 19.000 -0.194 0.000 0.822 416 A HN 0.403 nan 8.150 nan 0.000 0.443 417 T N 0.809 115.259 114.554 -0.173 0.000 2.708 417 T HA -0.140 4.209 4.350 -0.000 0.000 0.266 417 T C 1.893 176.508 174.700 -0.141 0.000 1.037 417 T CA 1.261 63.279 62.100 -0.136 0.000 1.146 417 T CB -0.452 68.339 68.868 -0.128 0.000 0.865 417 T HN 0.318 nan 8.240 nan 0.000 0.435 418 L N 1.686 122.787 121.223 -0.203 0.000 2.021 418 L HA -0.193 4.147 4.340 -0.000 0.000 0.215 418 L C 2.528 179.333 176.870 -0.108 0.000 1.074 418 L CA 2.667 57.377 54.840 -0.217 0.000 0.760 418 L CB -1.553 40.247 42.059 -0.432 0.000 0.889 418 L HN 0.306 nan 8.230 nan 0.000 0.433 419 A N -0.706 122.030 122.820 -0.141 0.000 1.872 419 A HA -0.253 4.067 4.320 -0.000 0.000 0.214 419 A C 2.145 179.776 177.584 0.079 0.000 1.187 419 A CA 1.439 53.525 52.037 0.082 0.000 0.614 419 A CB -0.614 18.439 19.000 0.088 0.000 0.826 419 A HN 0.574 nan 8.150 nan 0.000 0.442 420 Q N 0.520 120.317 119.800 -0.005 0.000 2.152 420 Q HA -0.166 4.174 4.340 -0.000 0.000 0.206 420 Q C 2.202 178.203 176.000 0.002 0.000 0.985 420 Q CA 2.293 58.090 55.803 -0.009 0.000 0.863 420 Q CB -0.599 28.113 28.738 -0.043 0.000 0.904 420 Q HN 0.617 nan 8.270 nan 0.000 0.422 421 S N -1.214 114.471 115.700 -0.024 0.000 2.365 421 S HA -0.237 4.233 4.470 -0.000 0.000 0.221 421 S C 1.827 176.418 174.600 -0.016 0.000 1.037 421 S CA 1.523 59.681 58.200 -0.071 0.000 1.060 421 S CB -0.830 62.283 63.200 -0.144 0.000 0.974 421 S HN 0.624 nan 8.310 nan 0.000 0.427 422 Y N 1.627 121.921 120.300 -0.010 0.000 2.193 422 Y HA -0.139 4.411 4.550 -0.000 0.000 0.285 422 Y C 2.971 178.884 175.900 0.022 0.000 1.166 422 Y CA 1.844 59.961 58.100 0.029 0.000 1.181 422 Y CB -0.103 38.395 38.460 0.064 0.000 0.976 422 Y HN 0.187 nan 8.280 nan 0.000 0.520 423 R N 0.255 120.858 120.500 0.172 0.000 2.073 423 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 423 R C 1.514 177.857 176.300 0.072 0.000 1.134 423 R CA 1.652 57.807 56.100 0.092 0.000 0.952 423 R CB -0.819 29.510 30.300 0.048 0.000 0.850 423 R HN 0.376 nan 8.270 nan 0.000 0.433 424 D N 0.239 120.668 120.400 0.048 0.000 2.312 424 D HA -0.034 4.606 4.640 -0.000 0.000 0.211 424 D C 1.511 177.854 176.300 0.071 0.000 0.964 424 D CA 0.954 54.977 54.000 0.038 0.000 0.877 424 D CB -0.036 40.765 40.800 0.002 0.000 0.924 424 D HN 0.190 nan 8.370 nan 0.000 0.515 425 A N 0.248 123.122 122.820 0.090 0.000 2.066 425 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 425 A C 1.663 179.397 177.584 0.249 0.000 1.157 425 A CA 0.399 52.539 52.037 0.171 0.000 0.670 425 A CB -0.076 18.999 19.000 0.125 0.000 0.804 425 A HN 0.101 nan 8.150 nan 0.000 0.453 426 S N 0.000 115.790 115.700 0.150 0.000 2.498 426 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 426 S CA 0.000 58.256 58.200 0.093 0.000 1.107 426 S CB 0.000 63.248 63.200 0.080 0.000 0.593 426 S HN 0.000 nan 8.310 nan 0.000 0.517