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 3k0c_1_B DATA FIRST_RESID 14 DATA SEQUENCE EHQAIAKMRT MIEGFDDISH GGLPIGRSTL VSGTSGTGKT LFSIQFLYNG DATA SEQUENCE IIEFDEPGVF VTFEETPQDI IKNARSFGWD LAKLVDEGKL FILDASPDPE DATA SEQUENCE GQEVVGGFDL SALIERINYA IQKYRARRVS IDSVTSVFQQ YDASSVVRRE DATA SEQUENCE LFRLVARLKQ IGATTVMTTE RIEEYGPIAR YGVEEFVSDN VVILRNVLEG DATA SEQUENCE ERRRRTLEIL KLRGTSHMKG EYPFTITDHG INIFPLGAMR LTQRSSNVRV DATA SEQUENCE SSGVVRLDEM CGGGFFKDSI ILATGATGTG KTLLVSRFVE NACANKERAI DATA SEQUENCE LFAYEESRAQ LLRNAYSWGM DFEEMERQNL LKIVCAYPES AGLEDHLQII DATA SEQUENCE KSEINDFKPA RIAIDSLSAL ARGVSNNAFR QFVIGVTGYA KQEEITGLFT DATA SEQUENCE NTSDQFMGAH SIXDSHIAEI TDTIILLQYV EIRGEMSRAI NVFKMRGSWH DATA SEQUENCE DKAIREFMIS DKGPDIKDSF RNFERIISGS PTRITVDEKS E 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.704 176.600 0.173 0.000 1.382 14 E CA 0.000 56.426 56.400 0.044 0.000 0.976 14 E CB 0.000 29.730 29.700 0.049 0.000 0.812 15 H N 1.604 120.683 119.070 0.014 0.000 2.660 15 H HA 0.248 4.804 4.556 -0.000 0.000 0.310 15 H C 0.164 175.502 175.328 0.017 0.000 1.080 15 H CA -0.075 55.983 56.048 0.015 0.000 1.145 15 H CB 0.649 30.419 29.762 0.014 0.000 1.432 15 H HN 0.289 nan 8.280 nan 0.000 0.542 16 Q N 0.286 120.161 119.800 0.126 0.000 2.240 16 Q HA 0.579 4.919 4.340 -0.000 0.000 0.260 16 Q C -0.073 175.965 176.000 0.062 0.000 1.018 16 Q CA -1.069 54.781 55.803 0.079 0.000 0.898 16 Q CB 1.894 30.666 28.738 0.057 0.000 1.301 16 Q HN 0.324 nan 8.270 nan 0.000 0.469 17 A N 1.033 123.884 122.820 0.052 0.000 2.536 17 A HA 0.052 4.372 4.320 -0.000 0.000 0.234 17 A C 0.233 177.846 177.584 0.050 0.000 1.076 17 A CA -0.291 51.775 52.037 0.049 0.000 0.769 17 A CB -0.072 18.957 19.000 0.048 0.000 1.020 17 A HN 0.544 nan 8.150 nan 0.000 0.508 18 I N 0.229 120.830 120.570 0.051 0.000 2.932 18 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 18 I C 1.055 177.203 176.117 0.050 0.000 1.227 18 I CA 0.803 62.135 61.300 0.052 0.000 1.429 18 I CB -0.239 37.795 38.000 0.056 0.000 1.339 18 I HN 0.693 nan 8.210 nan 0.000 0.589 19 A N 7.524 130.370 122.820 0.044 0.000 2.288 19 A HA 0.565 4.885 4.320 -0.000 0.000 0.320 19 A C -0.076 177.531 177.584 0.038 0.000 1.217 19 A CA -0.719 51.340 52.037 0.036 0.000 0.840 19 A CB 0.623 19.638 19.000 0.025 0.000 1.179 19 A HN 0.720 nan 8.150 nan 0.000 0.504 20 K N 1.846 122.269 120.400 0.038 0.000 2.207 20 K HA 0.514 4.834 4.320 -0.000 0.000 0.255 20 K C -0.734 175.870 176.600 0.006 0.000 0.941 20 K CA -0.387 55.927 56.287 0.045 0.000 0.825 20 K CB 2.232 34.780 32.500 0.079 0.000 1.119 20 K HN 0.772 nan 8.250 nan 0.000 0.430 21 M N 4.255 123.852 119.600 -0.006 0.000 2.131 21 M HA 0.251 4.731 4.480 -0.000 0.000 0.345 21 M C -0.793 175.442 176.300 -0.108 0.000 1.060 21 M CA -0.455 54.787 55.300 -0.097 0.000 1.011 21 M CB 0.266 32.800 32.600 -0.109 0.000 1.328 21 M HN 0.534 nan 8.290 nan 0.000 0.396 22 R N 1.350 121.783 120.500 -0.112 0.000 2.503 22 R HA -0.111 4.229 4.340 -0.000 0.000 0.271 22 R C 1.391 177.625 176.300 -0.109 0.000 0.960 22 R CA 1.235 57.301 56.100 -0.057 0.000 1.104 22 R CB 0.095 30.376 30.300 -0.031 0.000 0.879 22 R HN 0.740 nan 8.270 nan 0.000 0.420 23 T N -0.921 113.620 114.554 -0.022 0.000 3.040 23 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 23 T C 0.996 175.665 174.700 -0.051 0.000 1.064 23 T CA 0.049 62.098 62.100 -0.085 0.000 1.110 23 T CB 0.350 69.111 68.868 -0.179 0.000 0.921 23 T HN 0.533 nan 8.240 nan 0.000 0.480 24 M N -0.127 119.496 119.600 0.038 0.000 2.899 24 M HA -0.097 4.383 4.480 -0.000 0.000 0.195 24 M C -0.378 175.939 176.300 0.029 0.000 0.603 24 M CA 0.185 55.526 55.300 0.069 0.000 0.712 24 M CB -2.604 30.067 32.600 0.118 0.000 2.569 24 M HN 0.486 nan 8.290 nan 0.000 0.406 25 I N 1.048 121.621 120.570 0.006 0.000 2.301 25 I HA 0.084 4.254 4.170 -0.000 0.000 0.292 25 I C 1.306 177.453 176.117 0.050 0.000 1.046 25 I CA -0.431 60.861 61.300 -0.013 0.000 1.282 25 I CB 0.813 38.761 38.000 -0.086 0.000 1.409 25 I HN 0.056 nan 8.210 nan 0.000 0.484 26 E N 5.948 126.156 120.200 0.014 0.000 3.089 26 E HA -0.155 4.195 4.350 -0.000 0.000 0.226 26 E C 1.079 177.669 176.600 -0.016 0.000 1.083 26 E CA 1.245 57.638 56.400 -0.011 0.000 0.938 26 E CB -0.021 29.640 29.700 -0.064 0.000 0.942 26 E HN 0.992 nan 8.360 nan 0.000 0.549 27 G N 4.543 113.359 108.800 0.027 0.000 2.284 27 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.216 27 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.216 27 G C 0.766 175.701 174.900 0.058 0.000 1.009 27 G CA 0.145 45.255 45.100 0.016 0.000 0.625 27 G HN 0.551 nan 8.290 nan 0.000 0.501 28 F N 2.406 122.362 119.950 0.011 0.000 2.134 28 F HA 0.024 4.550 4.527 -0.000 0.000 0.299 28 F C 2.277 178.107 175.800 0.050 0.000 1.097 28 F CA 2.270 60.302 58.000 0.053 0.000 1.264 28 F CB 0.093 39.161 39.000 0.113 0.000 1.001 28 F HN 0.202 nan 8.300 nan 0.000 0.479 29 D N -0.125 120.483 120.400 0.347 0.000 2.310 29 D HA -0.163 4.477 4.640 -0.000 0.000 0.212 29 D C 1.457 177.831 176.300 0.124 0.000 0.965 29 D CA 1.057 55.206 54.000 0.248 0.000 0.879 29 D CB -0.346 40.556 40.800 0.170 0.000 0.921 29 D HN 0.482 nan 8.370 nan 0.000 0.510 30 D N 0.404 120.839 120.400 0.058 0.000 2.201 30 D HA 0.052 4.692 4.640 -0.000 0.000 0.209 30 D C 2.336 178.638 176.300 0.004 0.000 0.961 30 D CA 0.174 54.179 54.000 0.009 0.000 0.861 30 D CB 0.426 41.218 40.800 -0.013 0.000 0.997 30 D HN 0.244 nan 8.370 nan 0.000 0.486 31 I N 1.289 121.790 120.570 -0.116 0.000 2.500 31 I HA -0.157 4.013 4.170 -0.000 0.000 0.252 31 I C 1.909 177.974 176.117 -0.085 0.000 1.142 31 I CA 0.745 61.913 61.300 -0.220 0.000 1.451 31 I CB -0.016 37.690 38.000 -0.491 0.000 1.093 31 I HN -0.079 nan 8.210 nan 0.000 0.430 32 S N -1.405 114.247 115.700 -0.081 0.000 2.614 32 S HA 0.030 4.500 4.470 -0.000 0.000 0.230 32 S C 0.446 175.177 174.600 0.217 0.000 0.952 32 S CA -0.335 57.880 58.200 0.025 0.000 0.949 32 S CB -0.520 62.718 63.200 0.063 0.000 0.786 32 S HN 0.429 nan 8.310 nan 0.000 0.478 33 H N 1.028 120.119 119.070 0.034 0.000 2.557 33 H HA -0.131 4.425 4.556 -0.000 0.000 0.319 33 H C 1.353 176.721 175.328 0.066 0.000 1.102 33 H CA 0.993 57.070 56.048 0.047 0.000 1.126 33 H CB -1.597 28.196 29.762 0.052 0.000 1.498 33 H HN 0.812 nan 8.280 nan 0.000 0.411 34 G N -2.907 105.997 108.800 0.175 0.000 2.905 34 G HA2 0.324 4.284 3.960 -0.000 0.000 0.196 34 G HA3 0.324 4.284 3.960 -0.000 0.000 0.196 34 G C 0.832 175.830 174.900 0.164 0.000 1.044 34 G CA 0.644 45.825 45.100 0.135 0.000 0.778 34 G HN 1.617 nan 8.290 nan 0.000 0.474 35 G N -0.352 108.592 108.800 0.239 0.000 2.541 35 G HA2 0.274 4.234 3.960 -0.000 0.000 0.686 35 G HA3 0.274 4.234 3.960 -0.000 0.000 0.686 35 G C 0.002 175.047 174.900 0.241 0.000 1.286 35 G CA -0.399 44.894 45.100 0.322 0.000 0.894 35 G HN 1.303 nan 8.290 nan 0.000 0.575 36 L N 0.638 121.998 121.223 0.230 0.000 2.795 36 L HA 0.036 4.376 4.340 -0.000 0.000 0.290 36 L C -1.740 175.193 176.870 0.105 0.000 1.206 36 L CA -0.451 54.472 54.840 0.138 0.000 0.919 36 L CB -0.435 41.661 42.059 0.061 0.000 1.227 36 L HN 0.285 nan 8.230 nan 0.000 0.483 37 P HA 0.057 nan 4.420 nan 0.000 0.264 37 P C -0.003 177.332 177.300 0.058 0.000 1.193 37 P CA 0.065 63.205 63.100 0.067 0.000 0.763 37 P CB 0.484 32.220 31.700 0.060 0.000 0.810 38 I N 2.341 122.938 120.570 0.046 0.000 2.618 38 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 38 I C 1.679 177.818 176.117 0.037 0.000 1.146 38 I CA 0.767 62.090 61.300 0.037 0.000 1.425 38 I CB -0.411 37.597 38.000 0.014 0.000 1.383 38 I HN 0.697 nan 8.210 nan 0.000 0.562 39 G N 4.802 113.626 108.800 0.040 0.000 2.205 39 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.261 39 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.261 39 G C 0.455 175.377 174.900 0.038 0.000 0.980 39 G CA -0.171 44.951 45.100 0.036 0.000 0.632 39 G HN 0.619 nan 8.290 nan 0.000 0.533 40 R N -0.088 120.437 120.500 0.041 0.000 2.700 40 R HA 0.697 5.037 4.340 -0.000 0.000 0.253 40 R C 0.034 176.352 176.300 0.029 0.000 1.091 40 R CA 0.047 56.169 56.100 0.037 0.000 1.104 40 R CB 1.191 31.515 30.300 0.040 0.000 1.202 40 R HN 0.199 nan 8.270 nan 0.000 0.532 41 S N -0.165 115.550 115.700 0.025 0.000 2.489 41 S HA 0.358 4.828 4.470 -0.000 0.000 0.291 41 S C -0.817 173.779 174.600 -0.007 0.000 1.151 41 S CA -0.385 57.821 58.200 0.010 0.000 1.082 41 S CB 1.133 64.347 63.200 0.023 0.000 1.019 41 S HN 0.455 nan 8.310 nan 0.000 0.492 42 T N 4.734 119.263 114.554 -0.042 0.000 2.841 42 T HA 0.475 4.825 4.350 -0.000 0.000 0.283 42 T C -1.081 173.576 174.700 -0.071 0.000 1.000 42 T CA -0.435 61.631 62.100 -0.056 0.000 0.977 42 T CB 1.225 70.044 68.868 -0.082 0.000 0.979 42 T HN 0.542 nan 8.240 nan 0.000 0.446 43 L N 4.265 125.447 121.223 -0.069 0.000 2.276 43 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 43 L C -0.895 175.905 176.870 -0.116 0.000 1.024 43 L CA -0.441 54.353 54.840 -0.077 0.000 0.826 43 L CB 0.922 42.942 42.059 -0.065 0.000 1.211 43 L HN 0.447 nan 8.230 nan 0.000 0.422 44 V N 4.715 124.544 119.914 -0.140 0.000 2.304 44 V HA 0.441 4.560 4.120 -0.000 0.000 0.269 44 V C 0.203 176.218 176.094 -0.132 0.000 1.036 44 V CA -0.259 61.914 62.300 -0.211 0.000 0.840 44 V CB 0.815 32.418 31.823 -0.367 0.000 1.036 44 V HN 0.885 nan 8.190 nan 0.000 0.466 45 S N 3.464 119.094 115.700 -0.115 0.000 2.681 45 S HA 1.002 5.472 4.470 -0.000 0.000 0.299 45 S C -0.023 174.532 174.600 -0.074 0.000 1.113 45 S CA -0.164 57.985 58.200 -0.085 0.000 1.013 45 S CB 2.324 65.468 63.200 -0.092 0.000 1.076 45 S HN 1.235 nan 8.310 nan 0.000 0.534 46 G N 0.219 108.986 108.800 -0.056 0.000 2.355 46 G HA2 0.445 4.405 3.960 -0.000 0.000 0.296 46 G HA3 0.445 4.405 3.960 -0.000 0.000 0.296 46 G C -0.582 174.298 174.900 -0.034 0.000 1.507 46 G CA -0.193 44.880 45.100 -0.044 0.000 0.823 46 G HN 1.149 nan 8.290 nan 0.000 0.569 47 T N -1.153 113.379 114.554 -0.037 0.000 2.899 47 T HA 0.534 4.884 4.350 -0.000 0.000 0.295 47 T C 1.098 175.797 174.700 -0.002 0.000 1.033 47 T CA 0.776 62.859 62.100 -0.028 0.000 1.084 47 T CB 1.165 70.011 68.868 -0.036 0.000 0.979 47 T HN 1.727 nan 8.240 nan 0.000 0.532 48 S N 1.764 117.466 115.700 0.003 0.000 2.593 48 S HA 0.296 4.766 4.470 -0.000 0.000 0.303 48 S C 1.693 176.313 174.600 0.033 0.000 1.267 48 S CA 1.191 59.404 58.200 0.021 0.000 1.047 48 S CB -1.122 62.088 63.200 0.017 0.000 0.777 48 S HN 2.322 nan 8.310 nan 0.000 0.498 49 G N 2.926 111.758 108.800 0.055 0.000 2.148 49 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 49 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 49 G C 0.678 175.635 174.900 0.095 0.000 0.981 49 G CA 1.091 46.233 45.100 0.070 0.000 0.670 49 G HN 1.283 nan 8.290 nan 0.000 0.528 50 T N -2.955 111.661 114.554 0.104 0.000 3.054 50 T HA 0.449 4.799 4.350 -0.000 0.000 0.259 50 T C 2.203 177.084 174.700 0.302 0.000 1.092 50 T CA 1.904 64.097 62.100 0.155 0.000 1.121 50 T CB 0.514 69.443 68.868 0.100 0.000 0.912 50 T HN 1.966 nan 8.240 nan 0.000 0.489 51 G N 1.334 110.271 108.800 0.228 0.000 3.465 51 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.196 51 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.196 51 G C 0.823 175.826 174.900 0.171 0.000 1.170 51 G CA 0.098 45.332 45.100 0.224 0.000 0.887 51 G HN 0.389 nan 8.290 nan 0.000 0.444 52 K N 0.190 120.668 120.400 0.131 0.000 2.184 52 K HA -0.337 3.983 4.320 -0.000 0.000 0.216 52 K C 2.252 178.964 176.600 0.186 0.000 0.756 52 K CA 3.046 59.405 56.287 0.120 0.000 0.992 52 K CB -1.467 31.081 32.500 0.080 0.000 0.669 52 K HN 0.387 nan 8.250 nan 0.000 0.758 53 T N 1.694 116.354 114.554 0.176 0.000 2.602 53 T HA -0.261 4.089 4.350 -0.000 0.000 0.264 53 T C 1.711 176.532 174.700 0.201 0.000 1.085 53 T CA 2.070 64.299 62.100 0.215 0.000 1.164 53 T CB -0.547 68.438 68.868 0.194 0.000 0.860 53 T HN 0.289 nan 8.240 nan 0.000 0.442 54 L N 0.655 121.985 121.223 0.179 0.000 1.941 54 L HA -0.098 4.242 4.340 -0.000 0.000 0.224 54 L C 2.068 178.986 176.870 0.078 0.000 1.081 54 L CA 2.051 56.965 54.840 0.124 0.000 0.784 54 L CB -1.383 40.733 42.059 0.095 0.000 0.894 54 L HN 0.314 nan 8.230 nan 0.000 0.436 55 F N 0.416 120.337 119.950 -0.047 0.000 2.079 55 F HA -0.444 4.082 4.527 -0.000 0.000 0.296 55 F C 2.791 178.577 175.800 -0.023 0.000 1.084 55 F CA 2.989 60.944 58.000 -0.076 0.000 1.236 55 F CB -0.729 38.215 39.000 -0.093 0.000 0.984 55 F HN 0.477 nan 8.300 nan 0.000 0.488 56 S N 0.326 116.166 115.700 0.234 0.000 2.368 56 S HA -0.173 4.297 4.470 -0.000 0.000 0.224 56 S C 2.030 176.715 174.600 0.143 0.000 1.029 56 S CA 1.175 59.505 58.200 0.215 0.000 0.988 56 S CB -0.902 62.491 63.200 0.322 0.000 0.838 56 S HN 0.347 nan 8.310 nan 0.000 0.462 57 I N 2.645 123.218 120.570 0.005 0.000 2.052 57 I HA -0.223 3.947 4.170 -0.000 0.000 0.235 57 I C 2.934 178.883 176.117 -0.280 0.000 1.046 57 I CA 1.971 63.131 61.300 -0.233 0.000 1.308 57 I CB -1.633 36.221 38.000 -0.244 0.000 1.031 57 I HN 0.513 nan 8.210 nan 0.000 0.395 58 Q N -0.291 119.318 119.800 -0.319 0.000 2.376 58 Q HA -0.266 4.074 4.340 -0.000 0.000 0.211 58 Q C 2.189 178.013 176.000 -0.294 0.000 0.986 58 Q CA 1.515 57.067 55.803 -0.418 0.000 0.886 58 Q CB -0.220 28.335 28.738 -0.305 0.000 0.927 58 Q HN 0.433 nan 8.270 nan 0.000 0.457 59 F N 0.346 120.054 119.950 -0.403 0.000 2.074 59 F HA -0.134 4.393 4.527 -0.000 0.000 0.293 59 F C 1.628 177.293 175.800 -0.225 0.000 1.116 59 F CA 1.271 59.043 58.000 -0.380 0.000 1.212 59 F CB -0.410 38.380 39.000 -0.351 0.000 0.998 59 F HN 0.014 nan 8.300 nan 0.000 0.471 60 L N -0.987 120.107 121.223 -0.216 0.000 1.955 60 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 60 L C 2.325 179.029 176.870 -0.277 0.000 1.072 60 L CA 1.948 56.630 54.840 -0.265 0.000 0.755 60 L CB -1.436 40.562 42.059 -0.103 0.000 0.888 60 L HN 0.190 nan 8.230 nan 0.000 0.432 61 Y N 1.754 121.806 120.300 -0.412 0.000 1.888 61 Y HA -0.449 4.101 4.550 -0.000 0.000 0.236 61 Y C 2.550 178.259 175.900 -0.318 0.000 1.145 61 Y CA 2.396 60.229 58.100 -0.445 0.000 1.055 61 Y CB -0.705 37.301 38.460 -0.757 0.000 0.893 61 Y HN 0.246 nan 8.280 nan 0.000 0.506 62 N N -0.249 118.386 118.700 -0.107 0.000 2.182 62 N HA -0.217 4.523 4.740 -0.000 0.000 0.192 62 N C 1.848 177.333 175.510 -0.041 0.000 1.007 62 N CA 1.582 54.586 53.050 -0.077 0.000 0.873 62 N CB -1.016 37.443 38.487 -0.047 0.000 0.998 62 N HN 0.625 nan 8.380 nan 0.000 0.436 63 G N -0.026 108.678 108.800 -0.160 0.000 2.408 63 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.217 63 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.217 63 G C 1.497 176.399 174.900 0.003 0.000 1.150 63 G CA 0.432 45.488 45.100 -0.074 0.000 0.776 63 G HN 0.251 nan 8.290 nan 0.000 0.542 64 I N 1.054 121.523 120.570 -0.169 0.000 2.244 64 I HA -0.016 4.154 4.170 -0.000 0.000 0.231 64 I C 1.808 177.783 176.117 -0.237 0.000 1.065 64 I CA 0.338 61.524 61.300 -0.190 0.000 1.358 64 I CB -0.148 37.695 38.000 -0.262 0.000 1.130 64 I HN -0.026 nan 8.210 nan 0.000 0.411 65 I N 1.454 121.788 120.570 -0.394 0.000 3.398 65 I HA -0.153 4.017 4.170 -0.000 0.000 0.321 65 I C 1.006 176.916 176.117 -0.346 0.000 1.220 65 I CA 1.432 62.505 61.300 -0.379 0.000 1.242 65 I CB -1.733 35.948 38.000 -0.532 0.000 0.997 65 I HN 0.500 nan 8.210 nan 0.000 0.582 66 E N -1.027 118.927 120.200 -0.410 0.000 2.629 66 E HA 0.137 4.487 4.350 -0.000 0.000 0.203 66 E C 0.472 176.329 176.600 -1.238 0.000 0.939 66 E CA 0.290 56.199 56.400 -0.819 0.000 1.439 66 E CB 0.630 29.721 29.700 -1.015 0.000 1.490 66 E HN 0.448 nan 8.360 nan 0.000 0.804 67 F N 0.072 119.949 119.950 -0.122 0.000 3.087 67 F HA 0.195 4.722 4.527 -0.000 0.000 0.371 67 F C -0.151 175.593 175.800 -0.093 0.000 1.144 67 F CA -0.575 57.367 58.000 -0.098 0.000 1.030 67 F CB 0.534 39.474 39.000 -0.101 0.000 1.366 67 F HN -0.218 nan 8.300 nan 0.000 0.522 68 D N 2.677 123.092 120.400 0.026 0.000 2.812 68 D HA -0.225 4.415 4.640 -0.000 0.000 0.237 68 D C -0.490 175.818 176.300 0.013 0.000 1.162 68 D CA 0.814 54.809 54.000 -0.008 0.000 0.740 68 D CB -0.595 40.194 40.800 -0.018 0.000 1.000 68 D HN 0.609 nan 8.370 nan 0.000 0.416 69 E N 1.059 121.263 120.200 0.006 0.000 2.795 69 E HA 0.312 4.662 4.350 -0.000 0.000 0.226 69 E C -2.341 174.235 176.600 -0.041 0.000 1.088 69 E CA -1.868 54.521 56.400 -0.018 0.000 0.812 69 E CB 1.088 30.762 29.700 -0.045 0.000 1.328 69 E HN 0.230 nan 8.360 nan 0.000 0.410 70 P HA -0.090 nan 4.420 nan 0.000 0.266 70 P C -0.008 177.281 177.300 -0.018 0.000 1.180 70 P CA 0.322 63.421 63.100 -0.003 0.000 0.765 70 P CB 0.628 32.365 31.700 0.062 0.000 0.806 71 G N 0.622 109.403 108.800 -0.031 0.000 2.481 71 G HA2 0.557 4.516 3.960 -0.000 0.000 0.315 71 G HA3 0.557 4.516 3.960 -0.000 0.000 0.315 71 G C -1.448 173.451 174.900 -0.003 0.000 1.231 71 G CA -0.539 44.550 45.100 -0.019 0.000 0.968 71 G HN 0.334 nan 8.290 nan 0.000 0.482 72 V N 1.716 121.650 119.914 0.034 0.000 2.357 72 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 72 V C -1.012 175.110 176.094 0.047 0.000 1.018 72 V CA -0.678 61.637 62.300 0.024 0.000 0.841 72 V CB 0.958 32.809 31.823 0.045 0.000 0.991 72 V HN 0.607 nan 8.190 nan 0.000 0.437 73 F N 5.650 125.491 119.950 -0.183 0.000 2.436 73 F HA 0.743 5.270 4.527 -0.000 0.000 0.340 73 F C -0.244 175.386 175.800 -0.285 0.000 1.113 73 F CA -0.717 57.176 58.000 -0.180 0.000 1.022 73 F CB 1.781 40.684 39.000 -0.161 0.000 1.128 73 F HN 0.258 nan 8.300 nan 0.000 0.466 74 V N 5.046 124.443 119.914 -0.861 0.000 2.380 74 V HA 0.294 4.413 4.120 -0.000 0.000 0.286 74 V C -0.022 175.481 176.094 -0.985 0.000 1.015 74 V CA -0.715 61.113 62.300 -0.787 0.000 0.834 74 V CB 0.979 32.441 31.823 -0.601 0.000 1.009 74 V HN 0.848 nan 8.190 nan 0.000 0.428 75 T N 3.074 117.158 114.554 -0.782 0.000 2.922 75 T HA 0.592 4.942 4.350 -0.000 0.000 0.285 75 T C 0.125 174.488 174.700 -0.562 0.000 1.005 75 T CA 0.042 61.830 62.100 -0.520 0.000 1.061 75 T CB 0.602 69.374 68.868 -0.161 0.000 1.007 75 T HN 0.453 nan 8.240 nan 0.000 0.502 76 F N 1.410 121.272 119.950 -0.147 0.000 2.729 76 F HA 0.405 4.932 4.527 -0.000 0.000 0.315 76 F C 1.699 177.450 175.800 -0.083 0.000 1.102 76 F CA -0.410 57.516 58.000 -0.124 0.000 1.204 76 F CB 0.795 39.707 39.000 -0.146 0.000 1.052 76 F HN 0.629 nan 8.300 nan 0.000 0.551 77 E N -0.655 119.591 120.200 0.077 0.000 2.895 77 E HA 0.080 4.430 4.350 -0.000 0.000 0.254 77 E C 0.042 176.664 176.600 0.038 0.000 1.139 77 E CA -0.060 56.374 56.400 0.056 0.000 1.832 77 E CB 0.317 30.055 29.700 0.062 0.000 2.683 77 E HN 0.093 nan 8.360 nan 0.000 1.040 78 E N 1.762 121.993 120.200 0.051 0.000 2.344 78 E HA 0.071 4.421 4.350 -0.000 0.000 0.270 78 E C -0.466 176.160 176.600 0.042 0.000 1.021 78 E CA 0.163 56.597 56.400 0.057 0.000 0.887 78 E CB 1.335 31.090 29.700 0.091 0.000 0.997 78 E HN -0.013 nan 8.360 nan 0.000 0.429 79 T N 3.473 118.047 114.554 0.032 0.000 2.919 79 T HA 0.073 4.423 4.350 -0.000 0.000 0.302 79 T C -1.715 173.004 174.700 0.032 0.000 1.031 79 T CA -1.838 60.274 62.100 0.020 0.000 1.127 79 T CB 0.690 69.568 68.868 0.017 0.000 0.952 79 T HN 0.175 nan 8.240 nan 0.000 0.540 80 P HA -0.219 nan 4.420 nan 0.000 0.217 80 P C 1.817 179.134 177.300 0.029 0.000 1.158 80 P CA 1.288 64.405 63.100 0.028 0.000 0.887 80 P CB 0.051 31.755 31.700 0.008 0.000 0.792 81 Q N -0.601 119.215 119.800 0.026 0.000 2.173 81 Q HA -0.235 4.104 4.340 -0.000 0.000 0.208 81 Q C 1.477 177.492 176.000 0.025 0.000 0.989 81 Q CA 1.663 57.481 55.803 0.026 0.000 0.872 81 Q CB -1.458 27.294 28.738 0.023 0.000 0.909 81 Q HN 0.370 nan 8.270 nan 0.000 0.420 82 D N 0.630 121.048 120.400 0.029 0.000 2.120 82 D HA 0.003 4.643 4.640 -0.000 0.000 0.202 82 D C 2.111 178.432 176.300 0.035 0.000 0.972 82 D CA 0.421 54.440 54.000 0.031 0.000 0.837 82 D CB -0.049 40.773 40.800 0.036 0.000 0.989 82 D HN 0.174 nan 8.370 nan 0.000 0.469 83 I N 1.434 122.029 120.570 0.041 0.000 2.236 83 I HA -0.271 3.898 4.170 -0.000 0.000 0.249 83 I C 2.338 178.456 176.117 0.002 0.000 1.102 83 I CA 0.864 62.172 61.300 0.015 0.000 1.365 83 I CB -0.282 37.701 38.000 -0.029 0.000 1.051 83 I HN 0.040 nan 8.210 nan 0.000 0.420 84 I N -0.222 120.355 120.570 0.012 0.000 2.087 84 I HA -0.303 3.866 4.170 -0.000 0.000 0.231 84 I C 2.545 178.689 176.117 0.044 0.000 1.058 84 I CA 1.177 62.496 61.300 0.032 0.000 1.328 84 I CB -0.550 37.470 38.000 0.032 0.000 1.079 84 I HN 0.074 nan 8.210 nan 0.000 0.397 85 K N 1.606 122.022 120.400 0.027 0.000 2.067 85 K HA -0.310 4.010 4.320 -0.000 0.000 0.226 85 K C 1.769 178.366 176.600 -0.005 0.000 1.046 85 K CA 2.551 58.844 56.287 0.011 0.000 0.967 85 K CB -0.466 32.039 32.500 0.007 0.000 0.749 85 K HN 0.307 nan 8.250 nan 0.000 0.456 86 N N -0.123 118.580 118.700 0.004 0.000 2.058 86 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 86 N C 1.764 177.261 175.510 -0.021 0.000 1.037 86 N CA 1.585 54.623 53.050 -0.019 0.000 0.848 86 N CB -0.820 37.681 38.487 0.023 0.000 1.021 86 N HN 0.410 nan 8.380 nan 0.000 0.422 87 A N 2.051 124.939 122.820 0.113 0.000 2.009 87 A HA -0.211 4.109 4.320 -0.000 0.000 0.222 87 A C 2.014 179.655 177.584 0.096 0.000 1.175 87 A CA 1.400 53.633 52.037 0.327 0.000 0.651 87 A CB -0.664 18.574 19.000 0.396 0.000 0.815 87 A HN 0.329 nan 8.150 nan 0.000 0.459 88 R N -0.205 120.290 120.500 -0.009 0.000 2.377 88 R HA -0.074 4.266 4.340 -0.000 0.000 0.207 88 R C 2.247 178.363 176.300 -0.307 0.000 1.075 88 R CA 0.906 56.941 56.100 -0.109 0.000 1.035 88 R CB -0.449 29.815 30.300 -0.060 0.000 0.857 88 R HN 0.640 nan 8.270 nan 0.000 0.475 89 S N 0.614 116.028 115.700 -0.477 0.000 2.368 89 S HA -0.094 4.375 4.470 -0.000 0.000 0.224 89 S C 1.123 175.134 174.600 -0.982 0.000 1.029 89 S CA 0.932 58.670 58.200 -0.770 0.000 0.988 89 S CB 0.000 62.548 63.200 -1.087 0.000 0.838 89 S HN 0.348 nan 8.310 nan 0.000 0.462 90 F N 1.394 120.903 119.950 -0.734 0.000 2.660 90 F HA 0.456 4.983 4.527 -0.000 0.000 0.297 90 F C 1.548 176.721 175.800 -1.046 0.000 1.132 90 F CA -0.008 57.356 58.000 -1.060 0.000 1.372 90 F CB -0.084 37.905 39.000 -1.685 0.000 1.003 90 F HN 0.307 nan 8.300 nan 0.000 0.524 91 G N 0.540 109.001 108.800 -0.565 0.000 2.256 91 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.272 91 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.272 91 G C -0.765 174.101 174.900 -0.058 0.000 1.076 91 G CA -0.036 44.909 45.100 -0.257 0.000 0.882 91 G HN 0.506 nan 8.290 nan 0.000 0.497 92 W N -0.185 121.099 121.300 -0.026 0.000 2.802 92 W HA 0.632 5.292 4.660 -0.000 0.000 0.331 92 W C -0.798 175.743 176.519 0.037 0.000 1.021 92 W CA -3.190 54.152 57.345 -0.006 0.000 1.259 92 W CB 0.406 29.666 29.460 -0.333 0.000 1.323 92 W HN 0.111 nan 8.180 nan 0.000 0.432 93 D N 3.927 124.517 120.400 0.317 0.000 2.367 93 D HA 0.061 4.701 4.640 -0.000 0.000 0.255 93 D C 0.830 177.243 176.300 0.188 0.000 1.300 93 D CA 0.257 54.380 54.000 0.204 0.000 0.959 93 D CB 0.797 41.679 40.800 0.137 0.000 1.064 93 D HN 0.577 nan 8.370 nan 0.000 0.509 94 L N 3.446 124.764 121.223 0.159 0.000 2.017 94 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 94 L C 2.495 179.406 176.870 0.067 0.000 1.073 94 L CA 1.214 56.107 54.840 0.088 0.000 0.745 94 L CB -0.550 41.527 42.059 0.030 0.000 0.894 94 L HN 0.507 nan 8.230 nan 0.000 0.432 95 A N 0.255 123.115 122.820 0.068 0.000 2.023 95 A HA -0.351 3.969 4.320 -0.000 0.000 0.223 95 A C 2.369 179.990 177.584 0.060 0.000 1.180 95 A CA 2.488 54.561 52.037 0.060 0.000 0.659 95 A CB -0.632 18.402 19.000 0.056 0.000 0.817 95 A HN 0.436 nan 8.150 nan 0.000 0.466 96 K N -0.385 120.055 120.400 0.065 0.000 2.057 96 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 96 K C 1.648 178.273 176.600 0.042 0.000 1.050 96 K CA 1.432 57.752 56.287 0.055 0.000 0.935 96 K CB -0.267 32.270 32.500 0.063 0.000 0.715 96 K HN 0.523 nan 8.250 nan 0.000 0.439 97 L N 0.772 122.016 121.223 0.035 0.000 2.478 97 L HA -0.032 4.308 4.340 -0.000 0.000 0.223 97 L C 1.879 178.779 176.870 0.050 0.000 1.140 97 L CA 0.092 54.942 54.840 0.016 0.000 0.842 97 L CB 0.117 42.159 42.059 -0.028 0.000 0.953 97 L HN 0.027 nan 8.230 nan 0.000 0.452 98 V N -1.094 118.861 119.914 0.067 0.000 2.878 98 V HA -0.102 4.017 4.120 -0.000 0.000 0.250 98 V C 1.675 177.840 176.094 0.118 0.000 1.075 98 V CA 1.150 63.516 62.300 0.109 0.000 1.096 98 V CB -0.177 31.711 31.823 0.108 0.000 0.724 98 V HN 0.283 nan 8.190 nan 0.000 0.467 99 D N 0.628 121.077 120.400 0.082 0.000 2.162 99 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 99 D C 1.933 178.269 176.300 0.059 0.000 0.967 99 D CA 0.965 55.005 54.000 0.067 0.000 0.840 99 D CB -0.044 40.785 40.800 0.050 0.000 0.972 99 D HN 0.486 nan 8.370 nan 0.000 0.482 100 E N -0.110 120.122 120.200 0.054 0.000 2.445 100 E HA 0.204 4.554 4.350 -0.000 0.000 0.189 100 E C 0.755 177.397 176.600 0.069 0.000 1.069 100 E CA 0.013 56.437 56.400 0.041 0.000 0.871 100 E CB 0.236 29.947 29.700 0.019 0.000 0.991 100 E HN 0.196 nan 8.360 nan 0.000 0.481 101 G N 2.505 111.383 108.800 0.129 0.000 2.390 101 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.299 101 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.299 101 G C 0.838 175.893 174.900 0.258 0.000 1.002 101 G CA 0.522 45.782 45.100 0.266 0.000 0.979 101 G HN 0.113 nan 8.290 nan 0.000 0.513 102 K N -1.418 119.061 120.400 0.132 0.000 2.360 102 K HA 0.311 4.631 4.320 -0.000 0.000 0.196 102 K C 0.677 177.287 176.600 0.018 0.000 1.049 102 K CA 0.318 56.645 56.287 0.066 0.000 1.049 102 K CB 0.710 33.207 32.500 -0.006 0.000 0.881 102 K HN 0.763 nan 8.250 nan 0.000 0.542 103 L N -0.717 120.507 121.223 0.003 0.000 2.464 103 L HA 0.534 4.874 4.340 -0.000 0.000 0.266 103 L C -1.716 175.127 176.870 -0.044 0.000 0.965 103 L CA -0.839 53.976 54.840 -0.042 0.000 0.833 103 L CB 1.650 43.679 42.059 -0.050 0.000 1.296 103 L HN -0.114 nan 8.230 nan 0.000 0.405 104 F N 6.204 125.961 119.950 -0.320 0.000 2.403 104 F HA 0.600 5.127 4.527 -0.000 0.000 0.355 104 F C -0.648 175.080 175.800 -0.121 0.000 1.119 104 F CA -1.318 56.465 58.000 -0.362 0.000 1.007 104 F CB 1.046 39.565 39.000 -0.803 0.000 1.194 104 F HN 0.458 nan 8.300 nan 0.000 0.443 105 I N 7.947 128.259 120.570 -0.429 0.000 2.278 105 I HA 0.032 4.202 4.170 -0.000 0.000 0.300 105 I C 0.004 175.576 176.117 -0.909 0.000 1.174 105 I CA -0.555 60.507 61.300 -0.396 0.000 1.347 105 I CB 0.303 38.250 38.000 -0.088 0.000 1.473 105 I HN 0.414 nan 8.210 nan 0.000 0.595 106 L N 6.513 127.037 121.223 -1.166 0.000 2.449 106 L HA 0.084 4.424 4.340 -0.000 0.000 0.266 106 L C 0.599 177.171 176.870 -0.497 0.000 1.321 106 L CA 0.236 54.478 54.840 -0.996 0.000 1.194 106 L CB -0.833 40.850 42.059 -0.626 0.000 1.384 106 L HN 0.376 nan 8.230 nan 0.000 0.438 107 D N 3.641 123.836 120.400 -0.342 0.000 2.772 107 D HA -0.055 4.585 4.640 -0.000 0.000 0.227 107 D C 0.538 176.706 176.300 -0.220 0.000 1.114 107 D CA 1.105 54.981 54.000 -0.207 0.000 0.832 107 D CB 0.951 41.696 40.800 -0.092 0.000 1.154 107 D HN 0.689 nan 8.370 nan 0.000 0.514 108 A N 2.837 125.493 122.820 -0.275 0.000 2.671 108 A HA 0.173 4.493 4.320 -0.000 0.000 0.265 108 A C 0.486 178.003 177.584 -0.111 0.000 1.148 108 A CA 0.031 51.907 52.037 -0.269 0.000 0.977 108 A CB -0.027 18.588 19.000 -0.642 0.000 1.242 108 A HN 0.496 nan 8.150 nan 0.000 0.591 109 S N 1.164 116.814 115.700 -0.083 0.000 2.548 109 S HA 0.566 5.036 4.470 -0.000 0.000 0.277 109 S C -2.506 172.096 174.600 0.003 0.000 1.315 109 S CA -0.876 57.321 58.200 -0.004 0.000 1.050 109 S CB 0.536 63.731 63.200 -0.009 0.000 0.918 109 S HN 0.138 nan 8.310 nan 0.000 0.497 110 P HA 0.388 nan 4.420 nan 0.000 0.272 110 P C -0.600 176.699 177.300 -0.002 0.000 1.240 110 P CA -0.347 62.754 63.100 0.002 0.000 0.791 110 P CB 0.391 32.087 31.700 -0.007 0.000 0.978 111 D N 0.110 120.508 120.400 -0.004 0.000 2.432 111 D HA 0.203 4.843 4.640 -0.000 0.000 0.258 111 D C -1.211 175.087 176.300 -0.004 0.000 1.146 111 D CA -1.175 52.823 54.000 -0.002 0.000 1.015 111 D CB -0.453 40.346 40.800 -0.002 0.000 1.107 111 D HN 0.176 nan 8.370 nan 0.000 0.529 112 P HA -0.104 nan 4.420 nan 0.000 0.217 112 P C 0.065 177.363 177.300 -0.005 0.000 1.151 112 P CA 1.199 64.298 63.100 -0.002 0.000 0.849 112 P CB 0.326 32.026 31.700 -0.000 0.000 0.787 113 E N -1.289 118.909 120.200 -0.005 0.000 2.405 113 E HA 0.624 4.974 4.350 -0.000 0.000 0.249 113 E C 0.538 177.132 176.600 -0.010 0.000 1.028 113 E CA -0.271 56.125 56.400 -0.006 0.000 0.897 113 E CB 1.622 31.319 29.700 -0.004 0.000 1.262 113 E HN 0.091 nan 8.360 nan 0.000 0.442 114 G N -0.565 108.228 108.800 -0.012 0.000 2.404 114 G HA2 0.200 4.160 3.960 -0.000 0.000 0.253 114 G HA3 0.200 4.160 3.960 -0.000 0.000 0.253 114 G C -1.141 173.747 174.900 -0.019 0.000 1.253 114 G CA 0.189 45.279 45.100 -0.017 0.000 0.917 114 G HN 0.480 nan 8.290 nan 0.000 0.480 115 Q N -1.768 118.016 119.800 -0.028 0.000 2.860 115 Q HA 0.840 5.180 4.340 -0.000 0.000 0.401 115 Q C -0.432 175.546 176.000 -0.037 0.000 0.669 115 Q CA -0.659 55.127 55.803 -0.029 0.000 0.916 115 Q CB 1.894 30.612 28.738 -0.033 0.000 1.310 115 Q HN 0.677 nan 8.270 nan 0.000 0.394 116 E N -1.390 118.783 120.200 -0.045 0.000 2.357 116 E HA 0.338 4.688 4.350 -0.000 0.000 0.264 116 E C -1.109 175.447 176.600 -0.072 0.000 1.164 116 E CA -0.132 56.251 56.400 -0.028 0.000 0.893 116 E CB 2.040 31.766 29.700 0.043 0.000 1.619 116 E HN 0.504 nan 8.360 nan 0.000 0.464 117 V N -0.498 119.428 119.914 0.019 0.000 4.830 117 V HA -0.203 3.917 4.120 -0.000 0.000 0.274 117 V C -0.215 175.488 176.094 -0.650 0.000 0.408 117 V CA 1.085 63.297 62.300 -0.146 0.000 0.793 117 V CB -1.946 29.785 31.823 -0.154 0.000 0.740 117 V HN 0.375 nan 8.190 nan 0.000 1.375 118 V N 0.738 120.361 119.914 -0.486 0.000 2.615 118 V HA 0.523 4.643 4.120 -0.000 0.000 0.308 118 V C 1.699 177.697 176.094 -0.159 0.000 1.257 118 V CA 0.528 62.380 62.300 -0.746 0.000 1.454 118 V CB 0.309 31.955 31.823 -0.296 0.000 1.537 118 V HN 0.593 nan 8.190 nan 0.000 0.566 119 G N 1.895 110.760 108.800 0.108 0.000 2.622 119 G HA2 0.060 4.020 3.960 -0.000 0.000 0.156 119 G HA3 0.060 4.020 3.960 -0.000 0.000 0.156 119 G C 1.473 176.660 174.900 0.479 0.000 1.775 119 G CA 0.513 45.889 45.100 0.459 0.000 0.928 119 G HN 0.620 nan 8.290 nan 0.000 0.384 120 G N -0.554 108.503 108.800 0.428 0.000 2.615 120 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.213 120 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.213 120 G C 1.424 176.461 174.900 0.228 0.000 1.135 120 G CA 0.635 45.880 45.100 0.241 0.000 0.772 120 G HN 0.268 nan 8.290 nan 0.000 0.542 121 F N 1.422 121.408 119.950 0.060 0.000 2.043 121 F HA -0.122 4.405 4.527 -0.000 0.000 0.297 121 F C 2.382 178.205 175.800 0.038 0.000 1.118 121 F CA 1.586 59.614 58.000 0.046 0.000 1.202 121 F CB -0.435 38.594 39.000 0.049 0.000 0.965 121 F HN 0.139 nan 8.300 nan 0.000 0.482 122 D N -0.316 120.236 120.400 0.254 0.000 2.194 122 D HA -0.081 4.559 4.640 -0.000 0.000 0.204 122 D C 2.485 178.850 176.300 0.108 0.000 0.964 122 D CA 0.349 54.434 54.000 0.142 0.000 0.846 122 D CB -0.321 40.539 40.800 0.101 0.000 0.962 122 D HN 0.087 nan 8.370 nan 0.000 0.490 123 L N 1.623 122.908 121.223 0.103 0.000 2.263 123 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 123 L C 2.087 179.002 176.870 0.075 0.000 1.111 123 L CA 1.560 56.447 54.840 0.079 0.000 0.773 123 L CB -0.694 41.418 42.059 0.088 0.000 0.906 123 L HN 0.022 nan 8.230 nan 0.000 0.439 124 S N -0.953 114.790 115.700 0.072 0.000 2.355 124 S HA 0.050 4.520 4.470 -0.000 0.000 0.216 124 S C 2.203 176.834 174.600 0.052 0.000 1.037 124 S CA 0.505 58.735 58.200 0.050 0.000 0.955 124 S CB -0.542 62.675 63.200 0.028 0.000 0.877 124 S HN 0.356 nan 8.310 nan 0.000 0.488 125 A N 1.791 124.646 122.820 0.059 0.000 1.948 125 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 125 A C 2.241 179.857 177.584 0.052 0.000 1.177 125 A CA 1.703 53.771 52.037 0.052 0.000 0.636 125 A CB -0.997 18.038 19.000 0.057 0.000 0.815 125 A HN 0.477 nan 8.150 nan 0.000 0.449 126 L N -0.118 121.144 121.223 0.065 0.000 2.083 126 L HA -0.053 4.287 4.340 -0.000 0.000 0.209 126 L C 2.097 179.008 176.870 0.068 0.000 1.083 126 L CA 1.526 56.406 54.840 0.067 0.000 0.752 126 L CB -0.312 41.807 42.059 0.101 0.000 0.899 126 L HN 0.450 nan 8.230 nan 0.000 0.433 127 I N -0.914 119.696 120.570 0.066 0.000 3.083 127 I HA -0.196 3.973 4.170 -0.000 0.000 0.273 127 I C 1.906 178.064 176.117 0.068 0.000 1.297 127 I CA 0.489 61.825 61.300 0.061 0.000 1.452 127 I CB -0.224 37.803 38.000 0.044 0.000 1.078 127 I HN 0.302 nan 8.210 nan 0.000 0.484 128 E N 0.861 121.104 120.200 0.071 0.000 2.099 128 E HA -0.008 4.342 4.350 -0.000 0.000 0.191 128 E C 2.180 178.857 176.600 0.129 0.000 0.962 128 E CA 0.626 57.078 56.400 0.086 0.000 0.826 128 E CB 0.067 29.803 29.700 0.062 0.000 0.788 128 E HN 0.257 nan 8.360 nan 0.000 0.461 129 R N 0.167 120.724 120.500 0.094 0.000 2.152 129 R HA -0.028 4.312 4.340 -0.000 0.000 0.232 129 R C 2.108 178.545 176.300 0.227 0.000 1.117 129 R CA 1.074 57.239 56.100 0.107 0.000 0.981 129 R CB -0.293 30.033 30.300 0.043 0.000 0.870 129 R HN 0.212 nan 8.270 nan 0.000 0.451 130 I N 0.689 121.354 120.570 0.159 0.000 2.235 130 I HA -0.212 3.958 4.170 -0.000 0.000 0.241 130 I C 2.165 178.380 176.117 0.163 0.000 1.085 130 I CA 1.087 62.474 61.300 0.146 0.000 1.378 130 I CB -0.328 37.721 38.000 0.080 0.000 1.076 130 I HN 0.136 nan 8.210 nan 0.000 0.415 131 N N 0.605 119.386 118.700 0.135 0.000 2.205 131 N HA -0.285 4.455 4.740 -0.000 0.000 0.186 131 N C 1.809 177.399 175.510 0.133 0.000 1.015 131 N CA 1.389 54.504 53.050 0.108 0.000 0.862 131 N CB -0.312 38.226 38.487 0.085 0.000 0.986 131 N HN 0.339 nan 8.380 nan 0.000 0.429 132 Y N 0.926 121.266 120.300 0.067 0.000 2.026 132 Y HA -0.251 4.299 4.550 -0.000 0.000 0.253 132 Y C 2.369 178.326 175.900 0.096 0.000 1.098 132 Y CA 2.598 60.739 58.100 0.067 0.000 1.074 132 Y CB -1.134 37.370 38.460 0.074 0.000 0.971 132 Y HN 0.126 nan 8.280 nan 0.000 0.482 133 A N 0.279 123.262 122.820 0.272 0.000 2.042 133 A HA -0.231 4.089 4.320 -0.000 0.000 0.222 133 A C 2.290 179.991 177.584 0.195 0.000 1.167 133 A CA 2.200 54.395 52.037 0.264 0.000 0.649 133 A CB -1.376 17.921 19.000 0.494 0.000 0.809 133 A HN 0.668 nan 8.150 nan 0.000 0.457 134 I N -1.122 119.526 120.570 0.130 0.000 2.163 134 I HA -0.305 3.865 4.170 -0.000 0.000 0.240 134 I C 2.852 178.993 176.117 0.041 0.000 1.081 134 I CA 1.672 63.025 61.300 0.089 0.000 1.353 134 I CB -0.541 37.501 38.000 0.069 0.000 1.054 134 I HN 0.417 nan 8.210 nan 0.000 0.407 135 Q N 0.715 120.507 119.800 -0.013 0.000 2.050 135 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 135 Q C 2.315 178.249 176.000 -0.110 0.000 0.980 135 Q CA 1.658 57.426 55.803 -0.059 0.000 0.840 135 Q CB -0.172 28.518 28.738 -0.080 0.000 0.898 135 Q HN 0.371 nan 8.270 nan 0.000 0.424 136 K N 0.032 120.306 120.400 -0.209 0.000 2.032 136 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 136 K C 1.168 177.618 176.600 -0.250 0.000 1.048 136 K CA 1.496 57.593 56.287 -0.317 0.000 0.927 136 K CB -0.064 32.093 32.500 -0.572 0.000 0.712 136 K HN 0.197 nan 8.250 nan 0.000 0.441 137 Y N 0.299 120.512 120.300 -0.144 0.000 2.457 137 Y HA 0.248 4.798 4.550 -0.000 0.000 0.263 137 Y C -0.165 175.703 175.900 -0.053 0.000 1.164 137 Y CA -0.034 58.016 58.100 -0.084 0.000 1.274 137 Y CB 0.419 38.857 38.460 -0.037 0.000 1.097 137 Y HN 0.039 nan 8.280 nan 0.000 0.523 138 R N -0.129 120.410 120.500 0.065 0.000 3.205 138 R HA -0.175 4.165 4.340 -0.000 0.000 0.249 138 R C 0.056 176.389 176.300 0.056 0.000 0.937 138 R CA 0.272 56.391 56.100 0.033 0.000 0.641 138 R CB -1.743 28.561 30.300 0.006 0.000 1.114 138 R HN 0.279 nan 8.270 nan 0.000 0.451 139 A N 0.596 123.459 122.820 0.072 0.000 2.366 139 A HA 0.489 4.809 4.320 -0.000 0.000 0.249 139 A C 1.077 178.679 177.584 0.030 0.000 1.084 139 A CA -0.148 51.924 52.037 0.058 0.000 0.794 139 A CB 0.490 19.532 19.000 0.071 0.000 1.034 139 A HN 0.434 nan 8.150 nan 0.000 0.491 140 R N -0.219 120.290 120.500 0.014 0.000 2.650 140 R HA 0.142 4.482 4.340 -0.000 0.000 0.212 140 R C -0.173 176.133 176.300 0.009 0.000 0.904 140 R CA 0.401 56.501 56.100 0.000 0.000 1.021 140 R CB 0.321 30.604 30.300 -0.030 0.000 1.519 140 R HN 0.755 nan 8.270 nan 0.000 0.639 141 R N 1.375 121.873 120.500 -0.003 0.000 2.360 141 R HA 0.554 4.894 4.340 -0.000 0.000 0.318 141 R C -0.941 175.425 176.300 0.110 0.000 0.950 141 R CA -0.403 55.723 56.100 0.042 0.000 0.837 141 R CB 2.501 32.685 30.300 -0.192 0.000 1.165 141 R HN -0.223 nan 8.270 nan 0.000 0.458 142 V N 1.741 121.764 119.914 0.181 0.000 2.656 142 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 142 V C -0.394 175.797 176.094 0.161 0.000 1.051 142 V CA -0.721 61.659 62.300 0.134 0.000 0.893 142 V CB 2.209 34.076 31.823 0.074 0.000 0.999 142 V HN 0.730 nan 8.190 nan 0.000 0.426 143 S N 4.881 120.665 115.700 0.140 0.000 2.557 143 S HA 0.713 5.183 4.470 -0.000 0.000 0.291 143 S C -0.681 173.846 174.600 -0.122 0.000 1.116 143 S CA -0.438 57.828 58.200 0.109 0.000 0.992 143 S CB 1.412 64.805 63.200 0.322 0.000 1.028 143 S HN 0.562 nan 8.310 nan 0.000 0.484 144 I N 2.425 122.925 120.570 -0.116 0.000 2.382 144 I HA 0.358 4.528 4.170 -0.000 0.000 0.285 144 I C -0.766 175.288 176.117 -0.106 0.000 1.007 144 I CA -0.623 60.563 61.300 -0.190 0.000 1.142 144 I CB 1.377 39.378 38.000 0.001 0.000 1.289 144 I HN 0.431 nan 8.210 nan 0.000 0.453 145 D N 5.363 125.627 120.400 -0.226 0.000 2.232 145 D HA 0.246 4.886 4.640 -0.000 0.000 0.242 145 D C 0.473 176.825 176.300 0.086 0.000 1.093 145 D CA 0.225 54.212 54.000 -0.021 0.000 0.845 145 D CB 1.104 41.941 40.800 0.062 0.000 1.124 145 D HN 0.710 nan 8.370 nan 0.000 0.467 146 S N 1.536 117.294 115.700 0.098 0.000 3.929 146 S HA -0.224 4.246 4.470 -0.000 0.000 0.351 146 S C 1.183 175.807 174.600 0.040 0.000 1.021 146 S CA 0.747 58.997 58.200 0.084 0.000 1.049 146 S CB -2.787 60.467 63.200 0.090 0.000 0.872 146 S HN 0.877 nan 8.310 nan 0.000 0.479 147 V N -1.383 118.542 119.914 0.018 0.000 2.380 147 V HA -0.169 3.950 4.120 -0.000 0.000 0.251 147 V C 2.439 178.307 176.094 -0.376 0.000 1.063 147 V CA 2.416 64.565 62.300 -0.251 0.000 1.055 147 V CB -1.982 29.840 31.823 -0.002 0.000 0.657 147 V HN 0.760 nan 8.190 nan 0.000 0.455 148 T N 2.198 116.767 114.554 0.025 0.000 2.665 148 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 148 T C 1.936 176.641 174.700 0.008 0.000 1.035 148 T CA 2.480 64.714 62.100 0.224 0.000 1.151 148 T CB -0.789 68.135 68.868 0.093 0.000 0.862 148 T HN 0.938 nan 8.240 nan 0.000 0.438 149 S N 0.830 116.473 115.700 -0.094 0.000 2.559 149 S HA -0.029 4.441 4.470 -0.000 0.000 0.250 149 S C 1.759 176.217 174.600 -0.237 0.000 0.977 149 S CA 0.449 58.590 58.200 -0.100 0.000 0.958 149 S CB -0.654 62.525 63.200 -0.035 0.000 0.751 149 S HN 0.299 nan 8.310 nan 0.000 0.534 150 V N 0.616 120.217 119.914 -0.523 0.000 2.403 150 V HA 0.132 4.252 4.120 -0.000 0.000 0.239 150 V C 1.548 177.353 176.094 -0.483 0.000 1.041 150 V CA 0.840 62.717 62.300 -0.704 0.000 1.051 150 V CB -0.440 30.609 31.823 -1.290 0.000 0.704 150 V HN 0.561 nan 8.190 nan 0.000 0.472 151 F N -0.283 119.602 119.950 -0.108 0.000 2.699 151 F HA 0.121 4.648 4.527 -0.000 0.000 0.298 151 F C 1.867 177.662 175.800 -0.009 0.000 1.154 151 F CA 0.145 58.124 58.000 -0.036 0.000 1.457 151 F CB -0.884 38.136 39.000 0.033 0.000 1.106 151 F HN 0.130 nan 8.300 nan 0.000 0.585 152 Q N 1.501 121.412 119.800 0.185 0.000 2.294 152 Q HA -0.046 4.294 4.340 -0.000 0.000 0.207 152 Q C 1.157 177.148 176.000 -0.014 0.000 0.887 152 Q CA 0.460 56.344 55.803 0.135 0.000 0.987 152 Q CB -0.286 28.509 28.738 0.096 0.000 1.101 152 Q HN 0.663 nan 8.270 nan 0.000 0.447 153 Q N -0.553 119.173 119.800 -0.124 0.000 2.304 153 Q HA -0.021 4.319 4.340 -0.000 0.000 0.204 153 Q C -0.334 175.434 176.000 -0.386 0.000 0.936 153 Q CA 0.645 56.194 55.803 -0.424 0.000 0.878 153 Q CB 0.779 29.021 28.738 -0.826 0.000 0.983 153 Q HN 0.489 nan 8.270 nan 0.000 0.516 154 Y N -1.797 118.526 120.300 0.039 0.000 3.486 154 Y HA 0.354 4.904 4.550 -0.000 0.000 0.178 154 Y C -1.542 174.360 175.900 0.004 0.000 0.562 154 Y CA -1.346 56.765 58.100 0.019 0.000 1.067 154 Y CB -1.246 37.219 38.460 0.008 0.000 1.141 154 Y HN -0.164 nan 8.280 nan 0.000 0.571 155 D N 1.027 121.569 120.400 0.236 0.000 2.497 155 D HA 0.873 5.513 4.640 -0.000 0.000 0.243 155 D C -0.403 175.831 176.300 -0.110 0.000 1.039 155 D CA -0.350 53.699 54.000 0.081 0.000 1.052 155 D CB 2.686 43.537 40.800 0.084 0.000 1.344 155 D HN 0.412 nan 8.370 nan 0.000 0.553 156 A N -0.372 122.346 122.820 -0.170 0.000 2.387 156 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 156 A C 1.136 178.526 177.584 -0.323 0.000 1.165 156 A CA 0.099 51.999 52.037 -0.228 0.000 0.814 156 A CB 1.075 20.008 19.000 -0.111 0.000 1.357 156 A HN 0.523 nan 8.150 nan 0.000 0.443 157 S N 0.863 116.400 115.700 -0.272 0.000 2.404 157 S HA -0.295 4.175 4.470 -0.000 0.000 0.230 157 S C 1.961 176.464 174.600 -0.162 0.000 1.046 157 S CA 2.709 60.782 58.200 -0.213 0.000 1.135 157 S CB -1.571 61.583 63.200 -0.077 0.000 1.056 157 S HN 1.823 nan 8.310 nan 0.000 0.426 158 S N 1.943 117.583 115.700 -0.100 0.000 2.423 158 S HA -0.124 4.345 4.470 -0.000 0.000 0.238 158 S C 1.855 176.416 174.600 -0.065 0.000 1.028 158 S CA 1.386 59.545 58.200 -0.068 0.000 1.000 158 S CB -1.280 61.890 63.200 -0.049 0.000 0.797 158 S HN 0.499 nan 8.310 nan 0.000 0.487 159 V N 1.426 121.288 119.914 -0.086 0.000 2.379 159 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 159 V C 2.597 178.656 176.094 -0.058 0.000 1.044 159 V CA 1.348 63.621 62.300 -0.045 0.000 1.036 159 V CB -0.915 30.892 31.823 -0.026 0.000 0.664 159 V HN 0.446 nan 8.190 nan 0.000 0.453 160 V N 0.240 120.036 119.914 -0.196 0.000 2.295 160 V HA -0.276 3.843 4.120 -0.000 0.000 0.246 160 V C 2.549 178.541 176.094 -0.170 0.000 1.049 160 V CA 2.365 64.455 62.300 -0.350 0.000 1.024 160 V CB -0.834 30.602 31.823 -0.645 0.000 0.648 160 V HN 0.456 nan 8.190 nan 0.000 0.447 161 R N -0.421 120.020 120.500 -0.099 0.000 2.261 161 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 161 R C 2.324 178.669 176.300 0.076 0.000 1.141 161 R CA 1.353 57.449 56.100 -0.007 0.000 1.001 161 R CB -0.066 30.226 30.300 -0.014 0.000 0.866 161 R HN 0.473 nan 8.270 nan 0.000 0.468 162 R N -1.063 119.484 120.500 0.078 0.000 2.195 162 R HA 0.054 4.394 4.340 -0.000 0.000 0.197 162 R C 1.614 178.019 176.300 0.175 0.000 0.990 162 R CA 0.335 56.523 56.100 0.146 0.000 1.048 162 R CB 0.272 30.630 30.300 0.097 0.000 0.997 162 R HN 0.147 nan 8.270 nan 0.000 0.502 163 E N 1.121 121.421 120.200 0.166 0.000 2.112 163 E HA -0.088 4.262 4.350 -0.000 0.000 0.190 163 E C 2.063 178.803 176.600 0.233 0.000 0.979 163 E CA 0.720 57.249 56.400 0.214 0.000 0.814 163 E CB 0.024 29.916 29.700 0.321 0.000 0.762 163 E HN 0.280 nan 8.360 nan 0.000 0.460 164 L N 0.003 121.375 121.223 0.248 0.000 1.988 164 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 164 L C 2.463 179.445 176.870 0.187 0.000 1.071 164 L CA 1.136 56.115 54.840 0.231 0.000 0.744 164 L CB -0.442 41.725 42.059 0.179 0.000 0.893 164 L HN 0.070 nan 8.230 nan 0.000 0.433 165 F N 0.947 120.938 119.950 0.068 0.000 2.287 165 F HA -0.262 4.265 4.527 -0.000 0.000 0.301 165 F C 2.682 178.516 175.800 0.056 0.000 1.069 165 F CA 1.517 59.551 58.000 0.055 0.000 1.372 165 F CB -0.362 38.663 39.000 0.042 0.000 1.056 165 F HN -0.022 nan 8.300 nan 0.000 0.523 166 R N -0.011 120.461 120.500 -0.047 0.000 2.062 166 R HA -0.161 4.179 4.340 -0.000 0.000 0.231 166 R C 2.184 178.396 176.300 -0.147 0.000 1.136 166 R CA 1.692 57.717 56.100 -0.125 0.000 0.948 166 R CB -0.714 29.593 30.300 0.011 0.000 0.845 166 R HN 0.409 nan 8.270 nan 0.000 0.430 167 L N 0.853 122.048 121.223 -0.046 0.000 1.921 167 L HA -0.181 4.159 4.340 -0.000 0.000 0.219 167 L C 2.259 179.092 176.870 -0.061 0.000 1.081 167 L CA 1.858 56.687 54.840 -0.019 0.000 0.771 167 L CB -0.920 41.167 42.059 0.047 0.000 0.888 167 L HN 0.067 nan 8.230 nan 0.000 0.433 168 V N 0.648 120.537 119.914 -0.042 0.000 2.252 168 V HA -0.447 3.673 4.120 -0.000 0.000 0.255 168 V C 2.818 178.843 176.094 -0.115 0.000 1.071 168 V CA 2.363 64.639 62.300 -0.041 0.000 1.050 168 V CB -1.839 29.993 31.823 0.015 0.000 0.654 168 V HN 0.739 nan 8.190 nan 0.000 0.448 169 A N -0.435 122.207 122.820 -0.296 0.000 1.917 169 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 169 A C 2.347 179.824 177.584 -0.179 0.000 1.182 169 A CA 2.105 53.928 52.037 -0.357 0.000 0.633 169 A CB -0.505 18.043 19.000 -0.753 0.000 0.819 169 A HN 0.479 nan 8.150 nan 0.000 0.448 170 R N -0.561 119.851 120.500 -0.146 0.000 2.062 170 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 170 R C 2.188 178.468 176.300 -0.034 0.000 1.136 170 R CA 1.361 57.419 56.100 -0.070 0.000 0.948 170 R CB -1.033 29.239 30.300 -0.045 0.000 0.845 170 R HN 0.602 nan 8.270 nan 0.000 0.430 171 L N 0.963 122.172 121.223 -0.024 0.000 2.079 171 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 171 L C 2.748 179.619 176.870 0.003 0.000 1.081 171 L CA 1.397 56.238 54.840 0.001 0.000 0.752 171 L CB -0.493 41.574 42.059 0.012 0.000 0.896 171 L HN 0.206 nan 8.230 nan 0.000 0.433 172 K N 0.213 120.608 120.400 -0.008 0.000 2.032 172 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 172 K C 2.101 178.704 176.600 0.005 0.000 1.048 172 K CA 1.644 57.933 56.287 0.004 0.000 0.927 172 K CB -0.025 32.477 32.500 0.003 0.000 0.712 172 K HN 0.385 nan 8.250 nan 0.000 0.441 173 Q N 0.436 120.232 119.800 -0.006 0.000 2.002 173 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 173 Q C 2.108 178.111 176.000 0.006 0.000 0.988 173 Q CA 1.733 57.535 55.803 -0.001 0.000 0.843 173 Q CB -0.297 28.435 28.738 -0.009 0.000 0.908 173 Q HN 0.326 nan 8.270 nan 0.000 0.420 174 I N -0.282 120.293 120.570 0.007 0.000 2.229 174 I HA -0.232 3.938 4.170 -0.000 0.000 0.250 174 I C 1.728 177.854 176.117 0.015 0.000 1.096 174 I CA 2.029 63.337 61.300 0.014 0.000 1.358 174 I CB -1.762 36.251 38.000 0.021 0.000 1.047 174 I HN 0.614 nan 8.210 nan 0.000 0.422 175 G N 0.079 108.888 108.800 0.016 0.000 2.144 175 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.218 175 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.218 175 G C 0.393 175.306 174.900 0.022 0.000 0.988 175 G CA 0.169 45.280 45.100 0.018 0.000 0.659 175 G HN 0.820 nan 8.290 nan 0.000 0.522 176 A N 0.253 123.089 122.820 0.028 0.000 2.310 176 A HA 0.773 5.093 4.320 -0.000 0.000 0.299 176 A C 0.582 178.195 177.584 0.049 0.000 1.147 176 A CA 0.626 52.686 52.037 0.038 0.000 0.818 176 A CB 0.625 19.651 19.000 0.044 0.000 1.096 176 A HN 0.781 nan 8.150 nan 0.000 0.495 177 T N 2.740 117.335 114.554 0.067 0.000 2.771 177 T HA 0.516 4.866 4.350 -0.000 0.000 0.291 177 T C 0.434 175.206 174.700 0.120 0.000 0.954 177 T CA -0.135 62.019 62.100 0.089 0.000 1.045 177 T CB 0.715 69.652 68.868 0.115 0.000 0.917 177 T HN 0.733 nan 8.240 nan 0.000 0.484 178 T N 1.253 115.845 114.554 0.062 0.000 2.919 178 T HA 0.737 5.087 4.350 -0.000 0.000 0.282 178 T C -0.492 174.154 174.700 -0.090 0.000 1.020 178 T CA -0.790 61.327 62.100 0.029 0.000 0.994 178 T CB 1.434 70.314 68.868 0.021 0.000 1.180 178 T HN 0.365 nan 8.240 nan 0.000 0.566 179 V N 1.310 121.161 119.914 -0.105 0.000 2.663 179 V HA 0.293 4.413 4.120 -0.000 0.000 0.286 179 V C -1.059 174.999 176.094 -0.061 0.000 1.085 179 V CA -0.517 61.679 62.300 -0.174 0.000 0.916 179 V CB 1.357 32.942 31.823 -0.396 0.000 1.039 179 V HN 0.794 nan 8.190 nan 0.000 0.453 180 M N 3.005 122.582 119.600 -0.039 0.000 2.300 180 M HA 0.486 4.966 4.480 -0.000 0.000 0.348 180 M C 0.143 176.441 176.300 -0.004 0.000 1.151 180 M CA -0.214 55.086 55.300 -0.000 0.000 1.046 180 M CB 1.995 34.609 32.600 0.024 0.000 1.647 180 M HN 0.485 nan 8.290 nan 0.000 0.451 181 T N 2.260 116.827 114.554 0.023 0.000 2.845 181 T HA 0.516 4.865 4.350 -0.000 0.000 0.288 181 T C -0.232 174.479 174.700 0.018 0.000 0.980 181 T CA -0.310 61.804 62.100 0.023 0.000 1.071 181 T CB 0.788 69.689 68.868 0.055 0.000 0.941 181 T HN 0.663 nan 8.240 nan 0.000 0.487 182 T N 2.463 117.012 114.554 -0.008 0.000 2.916 182 T HA 0.466 4.816 4.350 -0.000 0.000 0.305 182 T C -0.888 173.789 174.700 -0.039 0.000 1.119 182 T CA -1.184 60.902 62.100 -0.024 0.000 1.008 182 T CB 1.800 70.638 68.868 -0.049 0.000 1.129 182 T HN 0.683 nan 8.240 nan 0.000 0.480 183 E N 1.851 122.017 120.200 -0.058 0.000 2.179 183 E HA 0.696 5.046 4.350 -0.000 0.000 0.275 183 E C -0.880 175.663 176.600 -0.095 0.000 0.945 183 E CA -1.100 55.264 56.400 -0.060 0.000 0.792 183 E CB 2.004 31.676 29.700 -0.047 0.000 1.125 183 E HN 0.433 nan 8.360 nan 0.000 0.397 184 R N 1.504 121.958 120.500 -0.077 0.000 2.854 184 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 184 R C 0.760 177.023 176.300 -0.061 0.000 0.996 184 R CA -0.744 55.306 56.100 -0.083 0.000 0.961 184 R CB 1.262 31.513 30.300 -0.081 0.000 1.182 184 R HN 0.552 nan 8.270 nan 0.000 0.479 185 I N -1.329 119.209 120.570 -0.054 0.000 3.039 185 I HA 0.174 4.344 4.170 -0.000 0.000 0.270 185 I C 0.501 176.606 176.117 -0.020 0.000 1.150 185 I CA 0.725 62.005 61.300 -0.033 0.000 1.448 185 I CB -0.465 37.520 38.000 -0.026 0.000 1.197 185 I HN 0.463 nan 8.210 nan 0.000 0.450 186 E N 2.126 122.316 120.200 -0.017 0.000 2.166 186 E HA 0.151 4.501 4.350 -0.000 0.000 0.275 186 E C 0.419 177.009 176.600 -0.018 0.000 0.941 186 E CA -0.152 56.251 56.400 0.004 0.000 0.784 186 E CB 2.428 32.145 29.700 0.029 0.000 1.115 186 E HN 0.052 nan 8.360 nan 0.000 0.399 187 E N 2.646 122.829 120.200 -0.029 0.000 2.171 187 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 187 E C 0.368 176.786 176.600 -0.303 0.000 0.997 187 E CA 1.641 57.945 56.400 -0.160 0.000 0.810 187 E CB -0.010 29.589 29.700 -0.168 0.000 0.738 187 E HN 0.545 nan 8.360 nan 0.000 0.467 188 Y N -2.232 118.057 120.300 -0.018 0.000 2.527 188 Y HA 0.367 4.917 4.550 -0.000 0.000 0.247 188 Y C 1.450 177.342 175.900 -0.015 0.000 1.138 188 Y CA -0.082 58.008 58.100 -0.017 0.000 1.228 188 Y CB 0.647 39.098 38.460 -0.015 0.000 1.252 188 Y HN 0.060 nan 8.280 nan 0.000 0.531 189 G N 1.856 110.716 108.800 0.100 0.000 2.713 189 G HA2 0.003 3.963 3.960 -0.000 0.000 0.170 189 G HA3 0.003 3.963 3.960 -0.000 0.000 0.170 189 G C -1.697 173.222 174.900 0.031 0.000 1.724 189 G CA -0.038 45.098 45.100 0.060 0.000 0.892 189 G HN 0.002 nan 8.290 nan 0.000 0.376 190 P HA 0.384 nan 4.420 nan 0.000 0.284 190 P C 0.176 177.443 177.300 -0.054 0.000 1.258 190 P CA -0.635 62.455 63.100 -0.017 0.000 0.824 190 P CB 1.987 33.678 31.700 -0.013 0.000 1.038 191 I N 0.834 121.356 120.570 -0.081 0.000 2.454 191 I HA -0.025 4.145 4.170 -0.000 0.000 0.254 191 I C 1.259 177.304 176.117 -0.120 0.000 1.156 191 I CA 1.404 62.636 61.300 -0.113 0.000 1.433 191 I CB -0.781 37.121 38.000 -0.163 0.000 1.082 191 I HN 0.482 nan 8.210 nan 0.000 0.432 192 A N -1.205 121.541 122.820 -0.124 0.000 2.566 192 A HA 0.462 4.782 4.320 -0.000 0.000 0.297 192 A C 0.989 178.465 177.584 -0.180 0.000 1.059 192 A CA -0.671 51.281 52.037 -0.141 0.000 0.691 192 A CB 0.760 19.680 19.000 -0.133 0.000 1.282 192 A HN 0.018 nan 8.150 nan 0.000 0.401 193 R N -0.061 120.272 120.500 -0.279 0.000 2.372 193 R HA -0.249 4.091 4.340 -0.000 0.000 0.273 193 R C 0.048 176.027 176.300 -0.535 0.000 1.195 193 R CA 2.678 58.494 56.100 -0.473 0.000 1.035 193 R CB -0.312 29.543 30.300 -0.743 0.000 0.877 193 R HN 0.808 nan 8.270 nan 0.000 0.497 194 Y N -2.117 118.144 120.300 -0.065 0.000 2.675 194 Y HA 0.218 4.768 4.550 -0.000 0.000 0.248 194 Y C 1.299 177.171 175.900 -0.047 0.000 1.161 194 Y CA -0.271 57.788 58.100 -0.069 0.000 1.203 194 Y CB 1.345 39.727 38.460 -0.131 0.000 1.262 194 Y HN 0.143 nan 8.280 nan 0.000 0.544 195 G N 0.922 109.753 108.800 0.052 0.000 2.352 195 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.295 195 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.295 195 G C 0.705 175.657 174.900 0.086 0.000 0.991 195 G CA 1.295 46.417 45.100 0.035 0.000 0.796 195 G HN 0.358 nan 8.290 nan 0.000 0.511 196 V N -1.139 118.815 119.914 0.066 0.000 3.013 196 V HA 0.073 4.193 4.120 -0.000 0.000 0.238 196 V C 2.411 178.520 176.094 0.025 0.000 1.161 196 V CA 1.802 64.160 62.300 0.097 0.000 1.170 196 V CB 0.104 31.960 31.823 0.056 0.000 0.917 196 V HN 0.366 nan 8.190 nan 0.000 0.478 197 E N 0.894 121.074 120.200 -0.034 0.000 2.070 197 E HA -0.272 4.077 4.350 -0.000 0.000 0.197 197 E C 1.857 178.379 176.600 -0.130 0.000 1.004 197 E CA 1.685 58.056 56.400 -0.049 0.000 0.805 197 E CB -0.365 29.302 29.700 -0.054 0.000 0.744 197 E HN 0.584 nan 8.360 nan 0.000 0.451 198 E N -0.292 119.729 120.200 -0.298 0.000 2.246 198 E HA -0.246 4.104 4.350 -0.000 0.000 0.232 198 E C 1.511 177.769 176.600 -0.570 0.000 1.087 198 E CA 2.148 58.192 56.400 -0.594 0.000 0.964 198 E CB -0.445 28.540 29.700 -1.191 0.000 0.827 198 E HN 0.377 nan 8.360 nan 0.000 0.476 199 F N -1.316 118.633 119.950 -0.001 0.000 2.765 199 F HA 0.118 4.645 4.527 -0.000 0.000 0.302 199 F C 1.608 177.412 175.800 0.005 0.000 1.111 199 F CA -0.008 57.990 58.000 -0.004 0.000 1.359 199 F CB 0.227 39.216 39.000 -0.019 0.000 1.097 199 F HN -0.105 nan 8.300 nan 0.000 0.577 200 V N -1.750 118.228 119.914 0.107 0.000 3.354 200 V HA 0.040 4.160 4.120 -0.000 0.000 0.258 200 V C 0.957 177.123 176.094 0.119 0.000 1.159 200 V CA 0.401 62.779 62.300 0.130 0.000 1.125 200 V CB -0.474 31.427 31.823 0.131 0.000 0.774 200 V HN 0.098 nan 8.190 nan 0.000 0.464 201 S N 0.362 116.094 115.700 0.054 0.000 2.654 201 S HA 0.286 4.756 4.470 -0.000 0.000 0.283 201 S C 0.631 175.257 174.600 0.043 0.000 1.180 201 S CA -0.552 57.671 58.200 0.038 0.000 1.021 201 S CB 1.401 64.594 63.200 -0.011 0.000 1.018 201 S HN 0.343 nan 8.310 nan 0.000 0.532 202 D N 1.061 121.486 120.400 0.042 0.000 2.333 202 D HA 0.087 4.727 4.640 -0.000 0.000 0.208 202 D C -0.316 175.995 176.300 0.019 0.000 0.984 202 D CA 0.695 54.721 54.000 0.044 0.000 0.873 202 D CB 0.168 40.998 40.800 0.050 0.000 0.935 202 D HN 0.471 nan 8.370 nan 0.000 0.521 203 N N 0.344 119.041 118.700 -0.004 0.000 2.406 203 N HA 0.230 4.970 4.740 -0.000 0.000 0.283 203 N C -1.093 174.384 175.510 -0.055 0.000 1.074 203 N CA -0.391 52.639 53.050 -0.033 0.000 0.916 203 N CB 2.839 41.315 38.487 -0.019 0.000 1.639 203 N HN -0.287 nan 8.380 nan 0.000 0.485 204 V N 0.815 120.678 119.914 -0.086 0.000 2.555 204 V HA 0.567 4.687 4.120 -0.000 0.000 0.302 204 V C -0.084 175.944 176.094 -0.111 0.000 1.038 204 V CA -0.788 61.453 62.300 -0.099 0.000 0.887 204 V CB 2.105 33.861 31.823 -0.112 0.000 0.991 204 V HN 0.438 nan 8.190 nan 0.000 0.434 205 V N 5.616 125.463 119.914 -0.113 0.000 2.656 205 V HA 0.577 4.697 4.120 -0.000 0.000 0.307 205 V C -0.602 175.415 176.094 -0.128 0.000 1.051 205 V CA -0.378 61.849 62.300 -0.122 0.000 0.893 205 V CB 2.080 33.819 31.823 -0.140 0.000 0.999 205 V HN 0.748 nan 8.190 nan 0.000 0.426 206 I N 5.636 126.148 120.570 -0.096 0.000 2.436 206 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 206 I C -0.655 175.438 176.117 -0.040 0.000 1.010 206 I CA -0.510 60.740 61.300 -0.083 0.000 1.098 206 I CB 1.863 39.813 38.000 -0.084 0.000 1.266 206 I HN 0.276 nan 8.210 nan 0.000 0.434 207 L N 6.836 128.044 121.223 -0.025 0.000 2.259 207 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 207 L C 0.063 176.929 176.870 -0.005 0.000 1.051 207 L CA -0.351 54.533 54.840 0.074 0.000 0.824 207 L CB 0.502 42.633 42.059 0.121 0.000 1.206 207 L HN 0.537 nan 8.230 nan 0.000 0.429 208 R N 2.892 123.363 120.500 -0.049 0.000 2.460 208 R HA 0.277 4.617 4.340 -0.000 0.000 0.303 208 R C -0.214 175.995 176.300 -0.152 0.000 0.968 208 R CA -0.354 55.654 56.100 -0.152 0.000 0.889 208 R CB 1.760 31.911 30.300 -0.249 0.000 1.123 208 R HN 0.541 nan 8.270 nan 0.000 0.455 209 N N 3.230 121.850 118.700 -0.132 0.000 2.841 209 N HA 0.121 4.861 4.740 -0.000 0.000 0.257 209 N C -0.966 174.493 175.510 -0.086 0.000 1.396 209 N CA -0.229 52.751 53.050 -0.117 0.000 0.823 209 N CB 0.998 39.444 38.487 -0.069 0.000 1.162 209 N HN 0.167 nan 8.380 nan 0.000 0.503 210 V N 3.097 122.963 119.914 -0.079 0.000 2.715 210 V HA 0.039 4.159 4.120 -0.000 0.000 0.299 210 V C 1.191 177.278 176.094 -0.012 0.000 1.054 210 V CA -0.209 62.079 62.300 -0.020 0.000 1.077 210 V CB 1.237 33.078 31.823 0.030 0.000 0.972 210 V HN 0.544 nan 8.190 nan 0.000 0.484 211 L N 2.986 124.214 121.223 0.008 0.000 2.467 211 L HA 0.346 4.686 4.340 -0.000 0.000 0.193 211 L C 1.008 177.879 176.870 0.002 0.000 1.324 211 L CA 1.216 56.057 54.840 0.001 0.000 2.976 211 L CB -0.524 41.539 42.059 0.006 0.000 2.863 211 L HN 1.042 nan 8.230 nan 0.000 1.094 212 E N -0.496 119.707 120.200 0.004 0.000 7.319 212 E HA -0.155 4.195 4.350 -0.000 0.000 0.251 212 E C 0.351 176.945 176.600 -0.010 0.000 0.944 212 E CA 0.720 57.119 56.400 -0.001 0.000 1.530 212 E CB -1.545 28.157 29.700 0.004 0.000 0.918 212 E HN 1.265 nan 8.360 nan 0.000 0.271 213 G N 4.419 113.211 108.800 -0.013 0.000 2.148 213 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 213 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 213 G C 0.477 175.367 174.900 -0.017 0.000 0.981 213 G CA 1.018 46.108 45.100 -0.017 0.000 0.670 213 G HN 0.929 nan 8.290 nan 0.000 0.528 214 E N -2.344 117.848 120.200 -0.014 0.000 3.673 214 E HA -0.238 4.111 4.350 -0.000 0.000 0.309 214 E C 0.797 177.387 176.600 -0.015 0.000 0.819 214 E CA 1.418 57.809 56.400 -0.014 0.000 1.111 214 E CB -0.583 29.107 29.700 -0.015 0.000 1.561 214 E HN 0.581 nan 8.360 nan 0.000 0.450 215 R N 0.654 121.143 120.500 -0.017 0.000 2.668 215 R HA 0.501 4.841 4.340 -0.000 0.000 0.279 215 R C 0.366 176.652 176.300 -0.024 0.000 0.976 215 R CA -0.584 55.503 56.100 -0.021 0.000 0.978 215 R CB 1.059 31.345 30.300 -0.022 0.000 1.133 215 R HN -0.004 nan 8.270 nan 0.000 0.484 216 R N 1.238 121.719 120.500 -0.032 0.000 2.778 216 R HA 0.496 4.836 4.340 -0.000 0.000 0.277 216 R C -0.286 175.977 176.300 -0.060 0.000 0.977 216 R CA -0.869 55.207 56.100 -0.041 0.000 0.950 216 R CB 2.356 32.632 30.300 -0.040 0.000 1.165 216 R HN 0.473 nan 8.270 nan 0.000 0.474 217 R N 1.978 122.431 120.500 -0.078 0.000 2.539 217 R HA 0.252 4.592 4.340 -0.000 0.000 0.295 217 R C -0.758 175.433 176.300 -0.182 0.000 1.138 217 R CA -0.524 55.512 56.100 -0.107 0.000 0.936 217 R CB 1.069 31.327 30.300 -0.070 0.000 1.182 217 R HN 0.560 nan 8.270 nan 0.000 0.459 218 R N 1.846 122.160 120.500 -0.310 0.000 2.590 218 R HA 0.146 4.486 4.340 -0.000 0.000 0.274 218 R C -0.383 175.589 176.300 -0.547 0.000 1.061 218 R CA 0.538 56.266 56.100 -0.620 0.000 1.081 218 R CB 0.935 30.493 30.300 -1.236 0.000 0.984 218 R HN 0.690 nan 8.270 nan 0.000 0.448 219 T N 0.107 114.413 114.554 -0.414 0.000 3.172 219 T HA 0.388 4.738 4.350 -0.000 0.000 0.320 219 T C -0.678 174.079 174.700 0.095 0.000 1.085 219 T CA -0.896 61.142 62.100 -0.103 0.000 1.052 219 T CB 1.086 69.915 68.868 -0.065 0.000 1.107 219 T HN 0.465 nan 8.240 nan 0.000 0.458 220 L N 1.976 123.384 121.223 0.309 0.000 2.325 220 L HA 0.852 5.192 4.340 -0.000 0.000 0.278 220 L C -0.441 176.545 176.870 0.194 0.000 1.023 220 L CA -0.432 54.586 54.840 0.296 0.000 0.811 220 L CB 1.545 43.838 42.059 0.390 0.000 1.249 220 L HN 0.970 nan 8.230 nan 0.000 0.431 221 E N 4.006 124.259 120.200 0.088 0.000 2.390 221 E HA 0.397 4.747 4.350 -0.000 0.000 0.277 221 E C -1.686 174.901 176.600 -0.021 0.000 0.939 221 E CA -0.731 55.717 56.400 0.080 0.000 0.769 221 E CB 2.281 32.024 29.700 0.073 0.000 1.251 221 E HN 0.618 nan 8.360 nan 0.000 0.450 222 I N 5.326 125.872 120.570 -0.040 0.000 2.330 222 I HA 0.148 4.318 4.170 -0.000 0.000 0.286 222 I C 1.168 177.195 176.117 -0.150 0.000 1.025 222 I CA -0.237 60.946 61.300 -0.195 0.000 1.197 222 I CB 1.157 38.924 38.000 -0.388 0.000 1.358 222 I HN 0.645 nan 8.210 nan 0.000 0.467 223 L N 6.500 127.655 121.223 -0.113 0.000 2.044 223 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 223 L C 0.773 177.620 176.870 -0.038 0.000 1.075 223 L CA 1.366 56.190 54.840 -0.027 0.000 0.747 223 L CB 0.122 42.156 42.059 -0.041 0.000 0.903 223 L HN 0.618 nan 8.230 nan 0.000 0.435 224 K N -1.153 119.148 120.400 -0.166 0.000 2.568 224 K HA 0.490 4.810 4.320 -0.000 0.000 0.273 224 K C -1.556 174.924 176.600 -0.200 0.000 0.951 224 K CA -0.757 55.450 56.287 -0.134 0.000 0.854 224 K CB 1.700 34.198 32.500 -0.002 0.000 1.424 224 K HN -0.073 nan 8.250 nan 0.000 0.427 225 L N 2.694 123.846 121.223 -0.118 0.000 2.518 225 L HA 0.434 4.774 4.340 -0.000 0.000 0.262 225 L C -0.551 176.339 176.870 0.033 0.000 0.982 225 L CA -0.796 54.014 54.840 -0.050 0.000 0.873 225 L CB 1.874 43.900 42.059 -0.055 0.000 1.198 225 L HN 0.619 nan 8.230 nan 0.000 0.427 226 R N 1.443 121.963 120.500 0.034 0.000 2.570 226 R HA 0.278 4.618 4.340 -0.000 0.000 0.277 226 R C 1.202 177.534 176.300 0.053 0.000 1.039 226 R CA 1.142 57.271 56.100 0.049 0.000 1.065 226 R CB 0.468 30.798 30.300 0.050 0.000 0.964 226 R HN 0.881 nan 8.270 nan 0.000 0.428 227 G N 1.407 110.239 108.800 0.054 0.000 2.162 227 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 227 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 227 G C 0.051 174.986 174.900 0.058 0.000 0.976 227 G CA 0.542 45.673 45.100 0.052 0.000 0.655 227 G HN 0.797 nan 8.290 nan 0.000 0.533 228 T N -2.692 111.903 114.554 0.069 0.000 2.739 228 T HA 0.757 5.106 4.350 -0.000 0.000 0.303 228 T C -0.122 174.628 174.700 0.083 0.000 1.389 228 T CA 0.364 62.508 62.100 0.075 0.000 1.001 228 T CB 1.509 70.428 68.868 0.085 0.000 1.436 228 T HN 1.486 nan 8.240 nan 0.000 0.500 229 S N 0.117 115.847 115.700 0.050 0.000 2.687 229 S HA 0.902 5.372 4.470 -0.000 0.000 0.283 229 S C -0.286 174.242 174.600 -0.121 0.000 1.170 229 S CA -0.438 57.736 58.200 -0.043 0.000 1.008 229 S CB 0.598 63.762 63.200 -0.060 0.000 1.026 229 S HN 1.479 nan 8.310 nan 0.000 0.541 230 H N -1.760 117.085 119.070 -0.375 0.000 3.001 230 H HA 0.531 5.087 4.556 -0.000 0.000 0.266 230 H C -1.443 173.629 175.328 -0.426 0.000 1.532 230 H CA -1.279 54.466 56.048 -0.505 0.000 1.187 230 H CB 0.631 30.262 29.762 -0.218 0.000 1.881 230 H HN 0.534 nan 8.280 nan 0.000 0.643 231 M N 1.704 121.219 119.600 -0.142 0.000 2.080 231 M HA 0.337 4.817 4.480 -0.000 0.000 0.350 231 M C -1.132 175.250 176.300 0.137 0.000 1.143 231 M CA -0.799 54.477 55.300 -0.040 0.000 1.064 231 M CB 1.165 33.770 32.600 0.008 0.000 1.429 231 M HN 0.349 nan 8.290 nan 0.000 0.418 232 K N 2.592 122.969 120.400 -0.038 0.000 2.447 232 K HA 0.504 4.824 4.320 -0.000 0.000 0.281 232 K C 0.518 177.205 176.600 0.146 0.000 1.031 232 K CA 0.469 56.789 56.287 0.055 0.000 1.019 232 K CB 0.070 32.546 32.500 -0.040 0.000 0.918 232 K HN 0.890 nan 8.250 nan 0.000 0.476 233 G N 1.719 110.612 108.800 0.156 0.000 2.371 233 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.663 233 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.663 233 G C -1.345 173.561 174.900 0.011 0.000 1.311 233 G CA -1.059 44.066 45.100 0.041 0.000 0.985 233 G HN 0.473 nan 8.290 nan 0.000 0.566 234 E N -0.777 119.314 120.200 -0.182 0.000 2.283 234 E HA 0.612 4.962 4.350 -0.000 0.000 0.271 234 E C -1.212 175.078 176.600 -0.515 0.000 1.031 234 E CA -0.361 55.947 56.400 -0.154 0.000 0.868 234 E CB 1.251 30.903 29.700 -0.079 0.000 1.094 234 E HN 0.406 nan 8.360 nan 0.000 0.401 235 Y N 1.361 121.707 120.300 0.077 0.000 2.421 235 Y HA 0.248 4.798 4.550 -0.000 0.000 0.339 235 Y C -2.231 173.756 175.900 0.145 0.000 0.996 235 Y CA -2.506 55.660 58.100 0.111 0.000 1.046 235 Y CB 1.784 40.314 38.460 0.116 0.000 1.226 235 Y HN 0.370 nan 8.280 nan 0.000 0.445 236 P HA 0.145 nan 4.420 nan 0.000 0.271 236 P C -1.010 176.508 177.300 0.363 0.000 1.216 236 P CA 0.203 63.411 63.100 0.180 0.000 0.771 236 P CB 0.697 32.480 31.700 0.138 0.000 0.864 237 F N -0.038 120.043 119.950 0.219 0.000 2.620 237 F HA 0.773 5.300 4.527 -0.000 0.000 0.320 237 F C -1.099 174.827 175.800 0.209 0.000 1.069 237 F CA -1.249 56.884 58.000 0.222 0.000 0.953 237 F CB 1.002 40.102 39.000 0.166 0.000 1.322 237 F HN 0.086 nan 8.300 nan 0.000 0.479 238 T N 3.470 118.415 114.554 0.653 0.000 2.840 238 T HA 0.513 4.863 4.350 -0.000 0.000 0.287 238 T C -0.399 174.544 174.700 0.405 0.000 0.991 238 T CA -0.317 62.058 62.100 0.458 0.000 0.964 238 T CB 1.089 70.196 68.868 0.397 0.000 0.954 238 T HN 0.598 nan 8.240 nan 0.000 0.438 239 I N 4.453 125.248 120.570 0.375 0.000 2.301 239 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 239 I C 1.264 177.520 176.117 0.232 0.000 1.046 239 I CA -0.112 61.363 61.300 0.293 0.000 1.282 239 I CB 0.791 38.986 38.000 0.325 0.000 1.409 239 I HN 0.817 nan 8.210 nan 0.000 0.484 240 T N 0.994 115.673 114.554 0.209 0.000 2.586 240 T HA 0.279 4.628 4.350 -0.000 0.000 0.224 240 T C 0.669 175.472 174.700 0.172 0.000 0.878 240 T CA -0.413 61.780 62.100 0.154 0.000 1.153 240 T CB 0.995 69.934 68.868 0.119 0.000 1.777 240 T HN 0.394 nan 8.240 nan 0.000 0.522 241 D N 0.072 120.462 120.400 -0.016 0.000 2.301 241 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 241 D C 0.857 177.017 176.300 -0.233 0.000 0.979 241 D CA 0.729 54.612 54.000 -0.194 0.000 0.874 241 D CB -0.003 40.543 40.800 -0.424 0.000 0.968 241 D HN 0.525 nan 8.370 nan 0.000 0.510 242 H N 0.529 119.622 119.070 0.039 0.000 2.550 242 H HA 0.395 4.951 4.556 -0.000 0.000 0.304 242 H C 1.447 176.713 175.328 -0.103 0.000 1.086 242 H CA 0.360 56.379 56.048 -0.048 0.000 1.089 242 H CB 0.185 29.949 29.762 0.004 0.000 1.528 242 H HN 0.110 nan 8.280 nan 0.000 0.539 243 G N 0.846 109.546 108.800 -0.167 0.000 2.593 243 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.237 243 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.237 243 G C -0.051 174.735 174.900 -0.189 0.000 1.312 243 G CA -0.389 44.420 45.100 -0.485 0.000 0.896 243 G HN 0.299 nan 8.290 nan 0.000 0.574 244 I N 1.209 121.662 120.570 -0.195 0.000 2.696 244 I HA 0.386 4.556 4.170 -0.000 0.000 0.284 244 I C 0.446 176.525 176.117 -0.062 0.000 1.129 244 I CA 0.034 61.257 61.300 -0.129 0.000 1.410 244 I CB 1.251 39.102 38.000 -0.248 0.000 1.399 244 I HN 0.642 nan 8.210 nan 0.000 0.579 245 N N 5.903 124.599 118.700 -0.006 0.000 2.425 245 N HA 0.511 5.251 4.740 -0.000 0.000 0.289 245 N C -1.512 173.952 175.510 -0.077 0.000 1.074 245 N CA -0.458 52.541 53.050 -0.084 0.000 0.905 245 N CB 1.337 39.753 38.487 -0.119 0.000 1.586 245 N HN 0.397 nan 8.380 nan 0.000 0.490 246 I N 2.957 123.438 120.570 -0.148 0.000 2.410 246 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 246 I C -0.835 175.203 176.117 -0.132 0.000 1.009 246 I CA -0.765 60.536 61.300 0.002 0.000 1.111 246 I CB 1.093 39.168 38.000 0.124 0.000 1.262 246 I HN 0.393 nan 8.210 nan 0.000 0.443 247 F N 6.796 126.851 119.950 0.175 0.000 2.375 247 F HA 0.359 4.886 4.527 -0.000 0.000 0.362 247 F C -1.922 173.986 175.800 0.180 0.000 1.129 247 F CA -2.387 55.698 58.000 0.143 0.000 1.154 247 F CB 0.365 39.437 39.000 0.121 0.000 1.205 247 F HN 0.272 nan 8.300 nan 0.000 0.513 248 P HA 0.134 nan 4.420 nan 0.000 0.220 248 P C 1.069 178.528 177.300 0.265 0.000 1.778 248 P CA 0.177 63.389 63.100 0.187 0.000 0.912 248 P CB -0.080 31.604 31.700 -0.027 0.000 1.861 249 L N -0.803 120.606 121.223 0.310 0.000 2.230 249 L HA -0.253 4.087 4.340 -0.000 0.000 0.217 249 L C 2.308 179.287 176.870 0.181 0.000 1.090 249 L CA 1.965 56.931 54.840 0.211 0.000 0.771 249 L CB -1.092 41.060 42.059 0.155 0.000 0.892 249 L HN 0.293 nan 8.230 nan 0.000 0.438 250 G N -0.986 107.970 108.800 0.260 0.000 2.411 250 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.213 250 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.213 250 G C 1.792 176.791 174.900 0.164 0.000 1.166 250 G CA 0.560 45.786 45.100 0.209 0.000 0.802 250 G HN 0.431 nan 8.290 nan 0.000 0.533 251 A N 0.494 123.413 122.820 0.165 0.000 1.940 251 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 251 A C 1.693 179.325 177.584 0.080 0.000 1.176 251 A CA 1.005 53.098 52.037 0.094 0.000 0.631 251 A CB -0.444 18.581 19.000 0.042 0.000 0.814 251 A HN 0.444 nan 8.150 nan 0.000 0.446 252 M N 0.960 120.618 119.600 0.098 0.000 2.243 252 M HA -0.017 4.463 4.480 -0.000 0.000 0.365 252 M C -0.006 176.333 176.300 0.065 0.000 1.327 252 M CA 0.606 55.958 55.300 0.087 0.000 0.918 252 M CB 0.257 32.920 32.600 0.105 0.000 1.894 252 M HN 0.413 nan 8.290 nan 0.000 0.473 253 R N 3.415 123.946 120.500 0.051 0.000 2.553 253 R HA 0.431 4.771 4.340 -0.000 0.000 0.263 253 R C -0.592 175.727 176.300 0.031 0.000 1.066 253 R CA -1.013 55.109 56.100 0.037 0.000 1.135 253 R CB 0.546 30.861 30.300 0.026 0.000 1.148 253 R HN 0.611 nan 8.270 nan 0.000 0.558 254 L N 1.443 122.680 121.223 0.023 0.000 2.783 254 L HA 0.234 4.574 4.340 -0.000 0.000 0.235 254 L C -0.605 176.271 176.870 0.011 0.000 1.260 254 L CA 0.611 55.461 54.840 0.017 0.000 1.184 254 L CB -0.002 42.066 42.059 0.015 0.000 1.472 254 L HN 0.582 nan 8.230 nan 0.000 0.426 255 T N 0.622 115.183 114.554 0.012 0.000 3.624 255 T HA 0.289 4.639 4.350 -0.000 0.000 0.244 255 T C 0.055 174.758 174.700 0.005 0.000 1.063 255 T CA -0.471 61.633 62.100 0.007 0.000 1.252 255 T CB 0.113 68.986 68.868 0.008 0.000 1.021 255 T HN 0.274 nan 8.240 nan 0.000 0.590 256 Q N 1.128 120.930 119.800 0.002 0.000 2.306 256 Q HA 0.381 4.721 4.340 -0.000 0.000 0.241 256 Q C 0.183 176.180 176.000 -0.005 0.000 0.948 256 Q CA -0.381 55.421 55.803 -0.001 0.000 0.886 256 Q CB 1.579 30.316 28.738 -0.001 0.000 1.227 256 Q HN 0.334 nan 8.270 nan 0.000 0.457 257 R N 0.603 121.100 120.500 -0.005 0.000 2.340 257 R HA 0.230 4.570 4.340 -0.000 0.000 0.300 257 R C -0.354 175.943 176.300 -0.005 0.000 1.069 257 R CA 0.026 56.124 56.100 -0.003 0.000 0.984 257 R CB 0.807 31.107 30.300 0.001 0.000 1.003 257 R HN 0.534 nan 8.270 nan 0.000 0.459 258 S N 2.046 117.740 115.700 -0.010 0.000 2.498 258 S HA 0.377 4.847 4.470 -0.000 0.000 0.317 258 S C -0.807 173.791 174.600 -0.005 0.000 1.090 258 S CA -0.643 57.543 58.200 -0.023 0.000 1.089 258 S CB 0.979 64.148 63.200 -0.052 0.000 0.997 258 S HN 0.632 nan 8.310 nan 0.000 0.470 259 S N 3.860 119.572 115.700 0.021 0.000 2.568 259 S HA 0.500 4.970 4.470 -0.000 0.000 0.302 259 S C 0.139 174.820 174.600 0.135 0.000 1.082 259 S CA -0.847 57.393 58.200 0.066 0.000 1.009 259 S CB 1.509 64.758 63.200 0.081 0.000 1.069 259 S HN 0.666 nan 8.310 nan 0.000 0.500 260 N N 0.905 119.711 118.700 0.178 0.000 2.268 260 N HA 0.158 4.898 4.740 -0.000 0.000 0.204 260 N C -0.164 175.543 175.510 0.327 0.000 1.124 260 N CA 0.023 53.279 53.050 0.343 0.000 0.838 260 N CB 0.149 38.773 38.487 0.229 0.000 0.994 260 N HN 0.534 nan 8.380 nan 0.000 0.489 261 V N 1.787 121.836 119.914 0.226 0.000 2.811 261 V HA 0.233 4.353 4.120 -0.000 0.000 0.302 261 V C 0.836 176.996 176.094 0.110 0.000 1.063 261 V CA -0.311 62.066 62.300 0.128 0.000 1.088 261 V CB 0.946 32.824 31.823 0.090 0.000 0.982 261 V HN 0.101 nan 8.190 nan 0.000 0.485 262 R N 1.886 122.390 120.500 0.007 0.000 2.797 262 R HA 0.883 5.223 4.340 -0.000 0.000 0.251 262 R C -1.118 175.168 176.300 -0.024 0.000 1.107 262 R CA -0.750 55.316 56.100 -0.056 0.000 1.084 262 R CB 1.790 32.006 30.300 -0.139 0.000 1.205 262 R HN 0.504 nan 8.270 nan 0.000 0.515 263 V N -0.570 119.321 119.914 -0.038 0.000 2.969 263 V HA 0.242 4.362 4.120 -0.000 0.000 0.304 263 V C 0.065 176.038 176.094 -0.202 0.000 1.192 263 V CA -0.951 61.299 62.300 -0.083 0.000 0.962 263 V CB 2.125 33.931 31.823 -0.028 0.000 1.045 263 V HN 0.808 nan 8.190 nan 0.000 0.428 264 S N 1.336 116.876 115.700 -0.265 0.000 2.584 264 S HA 0.205 4.675 4.470 -0.000 0.000 0.270 264 S C 1.417 175.672 174.600 -0.574 0.000 1.346 264 S CA 0.331 58.317 58.200 -0.357 0.000 1.018 264 S CB 1.150 64.198 63.200 -0.255 0.000 0.899 264 S HN 1.269 nan 8.310 nan 0.000 0.542 265 S N 2.199 117.523 115.700 -0.627 0.000 2.486 265 S HA 0.313 4.783 4.470 -0.000 0.000 0.220 265 S C 1.434 175.939 174.600 -0.158 0.000 1.011 265 S CA 0.674 58.506 58.200 -0.614 0.000 0.921 265 S CB -0.014 62.804 63.200 -0.636 0.000 0.785 265 S HN 1.753 nan 8.310 nan 0.000 0.517 266 G N -0.034 108.650 108.800 -0.193 0.000 2.231 266 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.206 266 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.206 266 G C -0.092 174.761 174.900 -0.078 0.000 0.996 266 G CA -0.130 44.912 45.100 -0.096 0.000 0.645 266 G HN 0.845 nan 8.290 nan 0.000 0.498 267 V N 2.108 121.961 119.914 -0.103 0.000 2.409 267 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 267 V C 1.632 177.667 176.094 -0.098 0.000 1.017 267 V CA -0.212 62.034 62.300 -0.090 0.000 0.841 267 V CB 1.351 33.121 31.823 -0.088 0.000 1.003 267 V HN 0.147 nan 8.190 nan 0.000 0.426 268 V N 4.409 124.276 119.914 -0.079 0.000 2.215 268 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 268 V C 2.504 178.567 176.094 -0.051 0.000 1.047 268 V CA 2.415 64.676 62.300 -0.066 0.000 0.999 268 V CB -0.677 31.118 31.823 -0.047 0.000 0.635 268 V HN 0.932 nan 8.190 nan 0.000 0.450 269 R N -0.285 120.192 120.500 -0.038 0.000 2.244 269 R HA -0.186 4.154 4.340 -0.000 0.000 0.252 269 R C 2.007 178.290 176.300 -0.029 0.000 1.177 269 R CA 1.562 57.648 56.100 -0.024 0.000 1.004 269 R CB -0.773 29.513 30.300 -0.023 0.000 0.873 269 R HN 0.590 nan 8.270 nan 0.000 0.469 270 L N -0.635 120.558 121.223 -0.049 0.000 2.049 270 L HA -0.159 4.181 4.340 -0.000 0.000 0.203 270 L C 1.486 178.349 176.870 -0.011 0.000 1.074 270 L CA 1.689 56.508 54.840 -0.036 0.000 0.749 270 L CB -0.442 41.592 42.059 -0.043 0.000 0.907 270 L HN 0.277 nan 8.230 nan 0.000 0.439 271 D N -0.011 120.352 120.400 -0.062 0.000 2.149 271 D HA -0.267 4.373 4.640 -0.000 0.000 0.194 271 D C 1.918 178.220 176.300 0.004 0.000 1.001 271 D CA 1.620 55.577 54.000 -0.071 0.000 0.849 271 D CB -0.017 40.710 40.800 -0.122 0.000 0.939 271 D HN 0.468 nan 8.370 nan 0.000 0.449 272 E N 0.090 120.300 120.200 0.016 0.000 2.038 272 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 272 E C 2.361 179.030 176.600 0.115 0.000 1.000 272 E CA 0.927 57.370 56.400 0.072 0.000 0.803 272 E CB -0.116 29.622 29.700 0.064 0.000 0.750 272 E HN 0.302 nan 8.360 nan 0.000 0.448 273 M N 0.096 119.723 119.600 0.045 0.000 2.082 273 M HA -0.203 4.277 4.480 -0.000 0.000 0.258 273 M C 2.326 178.575 176.300 -0.084 0.000 1.069 273 M CA 1.010 56.285 55.300 -0.042 0.000 1.102 273 M CB -0.359 32.209 32.600 -0.052 0.000 1.336 273 M HN 0.177 nan 8.290 nan 0.000 0.404 274 C N 1.277 120.600 119.300 0.039 0.000 2.514 274 C HA 0.137 4.597 4.460 -0.000 0.000 0.289 274 C C 1.485 176.543 174.990 0.114 0.000 1.458 274 C CA 0.339 59.419 59.018 0.104 0.000 1.669 274 C CB -2.366 25.521 27.740 0.245 0.000 1.613 274 C HN 0.858 nan 8.230 nan 0.000 0.594 275 G N 0.329 109.233 108.800 0.174 0.000 2.372 275 G HA2 0.129 4.089 3.960 -0.000 0.000 0.297 275 G HA3 0.129 4.089 3.960 -0.000 0.000 0.297 275 G C 0.899 175.883 174.900 0.139 0.000 1.005 275 G CA 0.523 45.830 45.100 0.345 0.000 1.173 275 G HN 1.387 nan 8.290 nan 0.000 0.511 276 G N -1.934 106.907 108.800 0.068 0.000 2.352 276 G HA2 0.489 4.449 3.960 -0.000 0.000 0.204 276 G HA3 0.489 4.449 3.960 -0.000 0.000 0.204 276 G C 1.439 176.299 174.900 -0.067 0.000 1.004 276 G CA 0.848 45.937 45.100 -0.018 0.000 0.648 276 G HN 3.010 nan 8.290 nan 0.000 0.491 277 G N -0.920 107.854 108.800 -0.042 0.000 2.298 277 G HA2 0.367 4.327 3.960 -0.000 0.000 0.309 277 G HA3 0.367 4.327 3.960 -0.000 0.000 0.309 277 G C -0.591 174.404 174.900 0.158 0.000 1.279 277 G CA -0.380 44.694 45.100 -0.043 0.000 1.042 277 G HN 0.909 nan 8.290 nan 0.000 0.480 278 F N 0.565 120.486 119.950 -0.048 0.000 2.410 278 F HA 0.546 5.073 4.527 -0.000 0.000 0.349 278 F C 0.702 176.509 175.800 0.013 0.000 1.117 278 F CA -0.927 57.090 58.000 0.029 0.000 1.104 278 F CB 0.928 40.028 39.000 0.165 0.000 1.122 278 F HN 0.223 nan 8.300 nan 0.000 0.483 279 F N 2.680 122.771 119.950 0.234 0.000 2.595 279 F HA 0.000 4.527 4.527 -0.000 0.000 0.359 279 F C 1.634 177.521 175.800 0.145 0.000 1.147 279 F CA 0.054 58.140 58.000 0.144 0.000 1.341 279 F CB 0.493 39.551 39.000 0.095 0.000 1.104 279 F HN 0.518 nan 8.300 nan 0.000 0.603 280 K N 0.800 121.370 120.400 0.283 0.000 1.985 280 K HA -0.153 4.167 4.320 -0.000 0.000 0.210 280 K C -0.051 176.655 176.600 0.178 0.000 1.047 280 K CA 1.543 57.946 56.287 0.193 0.000 0.932 280 K CB -0.076 32.502 32.500 0.130 0.000 0.716 280 K HN 0.551 nan 8.250 nan 0.000 0.439 281 D N 1.674 122.168 120.400 0.157 0.000 2.435 281 D HA 0.073 4.713 4.640 -0.000 0.000 0.230 281 D C -0.632 175.719 176.300 0.086 0.000 1.215 281 D CA 0.263 54.320 54.000 0.094 0.000 0.947 281 D CB 0.697 41.529 40.800 0.053 0.000 1.048 281 D HN 0.329 nan 8.370 nan 0.000 0.512 282 S N 0.905 116.657 115.700 0.086 0.000 2.633 282 S HA 0.403 4.872 4.470 -0.000 0.000 0.271 282 S C -1.349 173.258 174.600 0.012 0.000 1.112 282 S CA -1.047 57.187 58.200 0.055 0.000 0.828 282 S CB 1.157 64.427 63.200 0.117 0.000 1.086 282 S HN 0.089 nan 8.310 nan 0.000 0.461 283 I N 2.092 122.647 120.570 -0.025 0.000 2.404 283 I HA 0.528 4.698 4.170 -0.000 0.000 0.293 283 I C -0.780 175.254 176.117 -0.137 0.000 0.992 283 I CA -1.085 60.165 61.300 -0.083 0.000 1.149 283 I CB 1.504 39.512 38.000 0.014 0.000 1.315 283 I HN 0.661 nan 8.210 nan 0.000 0.446 284 I N 6.993 127.407 120.570 -0.261 0.000 2.530 284 I HA 0.442 4.612 4.170 -0.000 0.000 0.297 284 I C -0.498 175.485 176.117 -0.224 0.000 1.011 284 I CA -1.042 60.066 61.300 -0.320 0.000 1.107 284 I CB 1.916 39.565 38.000 -0.586 0.000 1.285 284 I HN 0.281 nan 8.210 nan 0.000 0.436 285 L N 5.081 126.219 121.223 -0.142 0.000 2.349 285 L HA 0.785 5.125 4.340 -0.000 0.000 0.278 285 L C -0.357 176.472 176.870 -0.068 0.000 0.996 285 L CA -0.239 54.575 54.840 -0.044 0.000 0.825 285 L CB 1.590 43.658 42.059 0.016 0.000 1.243 285 L HN 0.716 nan 8.230 nan 0.000 0.412 286 A N 3.749 126.544 122.820 -0.042 0.000 2.412 286 A HA 0.677 4.997 4.320 -0.000 0.000 0.334 286 A C -0.090 177.491 177.584 -0.004 0.000 1.419 286 A CA -0.355 51.660 52.037 -0.036 0.000 0.930 286 A CB -0.178 18.801 19.000 -0.034 0.000 1.149 286 A HN 0.706 nan 8.150 nan 0.000 0.515 287 T N 0.904 115.446 114.554 -0.020 0.000 2.922 287 T HA 0.770 5.120 4.350 -0.000 0.000 0.285 287 T C 0.373 175.072 174.700 -0.002 0.000 1.005 287 T CA 0.307 62.400 62.100 -0.013 0.000 1.061 287 T CB 1.630 70.468 68.868 -0.050 0.000 1.007 287 T HN 1.470 nan 8.240 nan 0.000 0.502 288 G N -0.015 108.799 108.800 0.024 0.000 2.402 288 G HA2 0.553 4.513 3.960 -0.000 0.000 0.301 288 G HA3 0.553 4.513 3.960 -0.000 0.000 0.301 288 G C -0.620 174.341 174.900 0.102 0.000 1.615 288 G CA -0.397 44.732 45.100 0.050 0.000 0.889 288 G HN 0.872 nan 8.290 nan 0.000 0.647 289 A N 0.604 123.527 122.820 0.171 0.000 2.482 289 A HA 0.609 4.929 4.320 -0.000 0.000 0.249 289 A C 1.296 179.039 177.584 0.266 0.000 1.114 289 A CA 1.204 53.401 52.037 0.267 0.000 0.797 289 A CB -0.072 19.208 19.000 0.467 0.000 1.067 289 A HN 1.933 nan 8.150 nan 0.000 0.514 290 T N -1.120 113.577 114.554 0.238 0.000 2.903 290 T HA 0.436 4.786 4.350 -0.000 0.000 0.314 290 T C 1.591 176.462 174.700 0.284 0.000 1.078 290 T CA 1.644 63.856 62.100 0.187 0.000 1.114 290 T CB 0.013 68.945 68.868 0.107 0.000 0.987 290 T HN 2.353 nan 8.240 nan 0.000 0.548 291 G N 2.480 111.416 108.800 0.226 0.000 2.708 291 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.229 291 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.229 291 G C 1.497 176.513 174.900 0.194 0.000 1.236 291 G CA 1.106 46.372 45.100 0.277 0.000 0.749 291 G HN 1.585 nan 8.290 nan 0.000 0.515 292 T N -1.061 113.526 114.554 0.055 0.000 2.771 292 T HA 0.087 4.437 4.350 -0.000 0.000 0.262 292 T C 2.824 177.534 174.700 0.017 0.000 1.027 292 T CA 2.671 64.646 62.100 -0.207 0.000 1.159 292 T CB -0.784 68.011 68.868 -0.121 0.000 0.844 292 T HN 2.682 nan 8.240 nan 0.000 0.478 293 G N 0.404 109.264 108.800 0.100 0.000 2.147 293 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.128 293 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.128 293 G C 0.517 175.474 174.900 0.095 0.000 1.026 293 G CA 0.328 45.503 45.100 0.125 0.000 0.693 293 G HN 0.536 nan 8.290 nan 0.000 0.499 294 K N 0.176 120.638 120.400 0.103 0.000 2.020 294 K HA -0.035 4.285 4.320 -0.000 0.000 0.212 294 K C 2.524 179.191 176.600 0.112 0.000 1.050 294 K CA 2.171 58.510 56.287 0.086 0.000 0.929 294 K CB -0.727 31.830 32.500 0.095 0.000 0.714 294 K HN 0.256 nan 8.250 nan 0.000 0.443 295 T N 1.440 116.098 114.554 0.174 0.000 2.822 295 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 295 T C 1.541 176.394 174.700 0.255 0.000 1.064 295 T CA 1.084 63.330 62.100 0.244 0.000 1.131 295 T CB -0.265 68.783 68.868 0.300 0.000 0.858 295 T HN 0.102 nan 8.240 nan 0.000 0.483 296 L N 1.049 122.327 121.223 0.092 0.000 1.937 296 L HA 0.004 4.344 4.340 -0.000 0.000 0.213 296 L C 2.205 179.013 176.870 -0.104 0.000 1.077 296 L CA 1.679 56.323 54.840 -0.327 0.000 0.758 296 L CB -0.986 40.719 42.059 -0.590 0.000 0.888 296 L HN 0.194 nan 8.230 nan 0.000 0.433 297 L N -1.053 120.130 121.223 -0.068 0.000 2.113 297 L HA -0.366 3.974 4.340 -0.000 0.000 0.221 297 L C 2.366 179.306 176.870 0.115 0.000 1.084 297 L CA 1.780 56.625 54.840 0.008 0.000 0.787 297 L CB -0.877 41.183 42.059 0.001 0.000 0.893 297 L HN 0.276 nan 8.230 nan 0.000 0.440 298 V N -1.160 118.833 119.914 0.131 0.000 2.214 298 V HA -0.335 3.785 4.120 -0.000 0.000 0.245 298 V C 2.477 178.747 176.094 0.294 0.000 1.047 298 V CA 2.135 64.550 62.300 0.191 0.000 0.998 298 V CB -0.664 31.273 31.823 0.191 0.000 0.633 298 V HN 0.416 nan 8.190 nan 0.000 0.446 299 S N -0.537 115.369 115.700 0.343 0.000 2.393 299 S HA -0.369 4.101 4.470 -0.000 0.000 0.234 299 S C 2.121 176.969 174.600 0.414 0.000 1.064 299 S CA 2.485 60.998 58.200 0.521 0.000 1.088 299 S CB -0.479 63.056 63.200 0.559 0.000 0.939 299 S HN 0.484 nan 8.310 nan 0.000 0.448 300 R N 0.080 120.723 120.500 0.239 0.000 2.148 300 R HA 0.096 4.436 4.340 -0.000 0.000 0.223 300 R C 1.802 178.205 176.300 0.172 0.000 1.088 300 R CA 0.986 57.180 56.100 0.158 0.000 0.985 300 R CB -0.481 29.845 30.300 0.044 0.000 0.880 300 R HN 0.489 nan 8.270 nan 0.000 0.451 301 F N -1.084 118.906 119.950 0.067 0.000 2.558 301 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 301 F C 1.486 177.321 175.800 0.059 0.000 1.119 301 F CA 0.574 58.600 58.000 0.044 0.000 1.451 301 F CB 0.315 39.364 39.000 0.081 0.000 1.091 301 F HN -0.125 nan 8.300 nan 0.000 0.563 302 V N -0.373 119.685 119.914 0.240 0.000 3.590 302 V HA -0.051 4.069 4.120 -0.000 0.000 0.265 302 V C 1.976 178.114 176.094 0.073 0.000 1.239 302 V CA 1.064 63.442 62.300 0.130 0.000 1.117 302 V CB 0.044 31.926 31.823 0.098 0.000 0.818 302 V HN 0.378 nan 8.190 nan 0.000 0.451 303 E N 0.232 120.511 120.200 0.132 0.000 2.086 303 E HA -0.182 4.167 4.350 -0.000 0.000 0.190 303 E C 1.931 178.543 176.600 0.020 0.000 0.975 303 E CA 0.673 57.151 56.400 0.131 0.000 0.813 303 E CB -0.121 29.686 29.700 0.179 0.000 0.768 303 E HN 0.587 nan 8.360 nan 0.000 0.457 304 N N 0.584 119.252 118.700 -0.052 0.000 2.430 304 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 304 N C 1.006 176.432 175.510 -0.140 0.000 1.032 304 N CA 1.019 53.995 53.050 -0.124 0.000 0.893 304 N CB 0.093 38.447 38.487 -0.223 0.000 0.957 304 N HN 0.142 nan 8.380 nan 0.000 0.442 305 A N -1.093 121.650 122.820 -0.127 0.000 2.345 305 A HA 0.198 4.518 4.320 -0.000 0.000 0.225 305 A C 1.563 179.130 177.584 -0.029 0.000 1.243 305 A CA -0.239 51.740 52.037 -0.097 0.000 0.875 305 A CB -0.165 18.777 19.000 -0.097 0.000 0.929 305 A HN 0.473 nan 8.150 nan 0.000 0.502 306 C N -2.232 117.062 119.300 -0.010 0.000 3.559 306 C HA 0.480 4.940 4.460 -0.000 0.000 0.314 306 C C 2.487 177.484 174.990 0.011 0.000 1.419 306 C CA 0.258 59.287 59.018 0.018 0.000 1.775 306 C CB -0.161 27.611 27.740 0.052 0.000 2.430 306 C HN 0.697 nan 8.230 nan 0.000 0.686 307 A N 0.891 123.707 122.820 -0.007 0.000 1.924 307 A HA 0.056 4.376 4.320 -0.000 0.000 0.211 307 A C 1.550 179.122 177.584 -0.021 0.000 1.198 307 A CA 0.963 52.994 52.037 -0.010 0.000 0.657 307 A CB -0.346 18.642 19.000 -0.021 0.000 0.852 307 A HN 0.520 nan 8.150 nan 0.000 0.454 308 N N 0.877 119.556 118.700 -0.034 0.000 2.375 308 N HA 0.045 4.785 4.740 -0.000 0.000 0.220 308 N C -0.831 174.663 175.510 -0.028 0.000 1.170 308 N CA 0.122 53.150 53.050 -0.036 0.000 0.833 308 N CB -0.178 38.278 38.487 -0.051 0.000 1.069 308 N HN 0.364 nan 8.380 nan 0.000 0.479 309 K N 1.258 121.647 120.400 -0.019 0.000 4.789 309 K HA -0.224 4.096 4.320 -0.000 0.000 0.290 309 K C -0.692 175.894 176.600 -0.024 0.000 0.798 309 K CA 0.869 57.146 56.287 -0.016 0.000 0.860 309 K CB -0.868 31.622 32.500 -0.017 0.000 1.852 309 K HN 0.439 nan 8.250 nan 0.000 0.413 310 E N 0.767 120.956 120.200 -0.019 0.000 2.393 310 E HA 0.361 4.711 4.350 -0.000 0.000 0.273 310 E C -0.665 175.938 176.600 0.005 0.000 0.918 310 E CA -1.172 55.217 56.400 -0.017 0.000 0.773 310 E CB 1.904 31.595 29.700 -0.015 0.000 1.275 310 E HN 0.174 nan 8.360 nan 0.000 0.451 311 R N 0.760 121.261 120.500 0.002 0.000 2.254 311 R HA 0.686 5.026 4.340 -0.000 0.000 0.318 311 R C -0.828 175.607 176.300 0.225 0.000 1.031 311 R CA -0.312 55.837 56.100 0.083 0.000 0.905 311 R CB 1.393 31.578 30.300 -0.191 0.000 1.050 311 R HN 0.475 nan 8.270 nan 0.000 0.456 312 A N 3.926 126.929 122.820 0.305 0.000 2.556 312 A HA 0.706 5.026 4.320 -0.000 0.000 0.294 312 A C -0.834 176.837 177.584 0.145 0.000 1.091 312 A CA -0.766 51.404 52.037 0.221 0.000 0.704 312 A CB 1.372 20.455 19.000 0.139 0.000 1.300 312 A HN 0.630 nan 8.150 nan 0.000 0.406 313 I N 0.469 121.098 120.570 0.098 0.000 2.740 313 I HA 0.570 4.740 4.170 -0.000 0.000 0.303 313 I C -1.238 174.862 176.117 -0.029 0.000 1.044 313 I CA -0.951 60.294 61.300 -0.092 0.000 1.064 313 I CB 2.056 40.003 38.000 -0.088 0.000 1.249 313 I HN 0.533 nan 8.210 nan 0.000 0.433 314 L N 4.975 126.061 121.223 -0.228 0.000 2.404 314 L HA 0.549 4.889 4.340 -0.000 0.000 0.272 314 L C -1.737 175.003 176.870 -0.216 0.000 0.980 314 L CA 0.019 54.814 54.840 -0.074 0.000 0.836 314 L CB 1.170 43.172 42.059 -0.095 0.000 1.238 314 L HN 0.253 nan 8.230 nan 0.000 0.408 315 F N 4.811 124.803 119.950 0.071 0.000 2.361 315 F HA 0.747 5.274 4.527 -0.000 0.000 0.364 315 F C 0.627 176.435 175.800 0.013 0.000 1.120 315 F CA -0.378 57.632 58.000 0.016 0.000 1.102 315 F CB 1.500 40.614 39.000 0.190 0.000 1.183 315 F HN 0.638 nan 8.300 nan 0.000 0.476 316 A N 3.287 126.070 122.820 -0.061 0.000 2.318 316 A HA 0.636 4.956 4.320 -0.000 0.000 0.324 316 A C -1.055 176.391 177.584 -0.230 0.000 1.170 316 A CA -0.405 51.632 52.037 0.000 0.000 0.810 316 A CB 0.363 19.368 19.000 0.009 0.000 1.198 316 A HN 0.749 nan 8.150 nan 0.000 0.484 317 Y N 0.377 120.716 120.300 0.065 0.000 2.557 317 Y HA 0.222 4.772 4.550 -0.000 0.000 0.247 317 Y C 1.367 177.283 175.900 0.027 0.000 1.164 317 Y CA -0.006 58.114 58.100 0.032 0.000 1.218 317 Y CB 0.622 39.103 38.460 0.036 0.000 1.210 317 Y HN 0.813 nan 8.280 nan 0.000 0.529 318 E N -0.080 120.202 120.200 0.137 0.000 2.357 318 E HA 0.105 4.455 4.350 -0.000 0.000 0.202 318 E C 0.110 176.737 176.600 0.044 0.000 0.855 318 E CA 0.115 56.582 56.400 0.112 0.000 1.048 318 E CB 0.573 30.352 29.700 0.132 0.000 1.037 318 E HN 0.353 nan 8.360 nan 0.000 0.499 319 E N 1.102 121.319 120.200 0.029 0.000 2.267 319 E HA 0.302 4.652 4.350 -0.000 0.000 0.258 319 E C -0.220 176.345 176.600 -0.058 0.000 1.074 319 E CA -0.450 55.951 56.400 0.003 0.000 0.915 319 E CB 1.450 31.172 29.700 0.036 0.000 1.186 319 E HN 0.009 nan 8.360 nan 0.000 0.439 320 S N -0.214 115.453 115.700 -0.055 0.000 2.647 320 S HA 0.329 4.799 4.470 -0.000 0.000 0.284 320 S C 0.978 175.546 174.600 -0.053 0.000 1.134 320 S CA -0.790 57.361 58.200 -0.082 0.000 1.027 320 S CB 1.027 64.185 63.200 -0.070 0.000 1.180 320 S HN 0.439 nan 8.310 nan 0.000 0.521 321 R N 0.229 120.695 120.500 -0.056 0.000 2.055 321 R HA 0.063 4.402 4.340 -0.000 0.000 0.228 321 R C 2.634 178.929 176.300 -0.008 0.000 1.143 321 R CA 1.141 57.220 56.100 -0.035 0.000 0.945 321 R CB -1.173 29.100 30.300 -0.045 0.000 0.841 321 R HN 0.721 nan 8.270 nan 0.000 0.429 322 A N 1.624 124.432 122.820 -0.019 0.000 1.851 322 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 322 A C 2.211 179.784 177.584 -0.018 0.000 1.195 322 A CA 1.775 53.802 52.037 -0.018 0.000 0.622 322 A CB -0.771 18.214 19.000 -0.025 0.000 0.831 322 A HN 0.423 nan 8.150 nan 0.000 0.444 323 Q N -0.664 119.123 119.800 -0.022 0.000 2.135 323 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 323 Q C 2.055 178.036 176.000 -0.031 0.000 0.981 323 Q CA 1.546 57.331 55.803 -0.031 0.000 0.856 323 Q CB -0.238 28.485 28.738 -0.025 0.000 0.902 323 Q HN 0.690 nan 8.270 nan 0.000 0.425 324 L N 0.127 121.356 121.223 0.010 0.000 1.989 324 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 324 L C 2.431 179.335 176.870 0.056 0.000 1.071 324 L CA 1.195 56.072 54.840 0.063 0.000 0.749 324 L CB -0.404 41.735 42.059 0.133 0.000 0.890 324 L HN 0.388 nan 8.230 nan 0.000 0.431 325 L N -0.697 120.576 121.223 0.082 0.000 1.978 325 L HA -0.348 3.992 4.340 -0.000 0.000 0.218 325 L C 2.796 179.640 176.870 -0.043 0.000 1.075 325 L CA 1.619 56.495 54.840 0.060 0.000 0.767 325 L CB -0.628 41.460 42.059 0.047 0.000 0.890 325 L HN 0.330 nan 8.230 nan 0.000 0.434 326 R N 0.596 121.062 120.500 -0.057 0.000 2.196 326 R HA -0.236 4.104 4.340 -0.000 0.000 0.227 326 R C 1.861 178.057 176.300 -0.175 0.000 1.108 326 R CA 2.427 58.476 56.100 -0.085 0.000 0.884 326 R CB -0.433 29.816 30.300 -0.085 0.000 0.839 326 R HN 0.396 nan 8.270 nan 0.000 0.431 327 N N 0.215 118.750 118.700 -0.273 0.000 2.659 327 N HA -0.156 4.584 4.740 -0.000 0.000 0.194 327 N C 0.935 175.974 175.510 -0.785 0.000 1.140 327 N CA 1.150 53.851 53.050 -0.581 0.000 0.936 327 N CB -0.095 38.050 38.487 -0.569 0.000 0.970 327 N HN 0.416 nan 8.380 nan 0.000 0.449 328 A N -0.764 121.814 122.820 -0.404 0.000 1.993 328 A HA 0.026 4.346 4.320 -0.000 0.000 0.207 328 A C 1.888 179.329 177.584 -0.238 0.000 1.224 328 A CA -0.016 51.796 52.037 -0.374 0.000 0.749 328 A CB -0.402 18.190 19.000 -0.681 0.000 0.884 328 A HN 0.258 nan 8.150 nan 0.000 0.467 329 Y N 1.173 121.311 120.300 -0.270 0.000 2.457 329 Y HA -0.019 4.531 4.550 -0.000 0.000 0.292 329 Y C 2.282 178.106 175.900 -0.127 0.000 1.125 329 Y CA 1.325 59.327 58.100 -0.164 0.000 1.254 329 Y CB 0.013 38.399 38.460 -0.123 0.000 1.012 329 Y HN 0.283 nan 8.280 nan 0.000 0.555 330 S N -1.062 114.536 115.700 -0.170 0.000 2.481 330 S HA -0.113 4.357 4.470 -0.000 0.000 0.231 330 S C 0.972 175.507 174.600 -0.108 0.000 0.996 330 S CA 0.660 58.737 58.200 -0.205 0.000 0.942 330 S CB -0.291 62.730 63.200 -0.297 0.000 0.768 330 S HN 0.572 nan 8.310 nan 0.000 0.520 331 W N 0.868 122.093 121.300 -0.125 0.000 3.278 331 W HA 0.431 5.091 4.660 -0.000 0.000 0.308 331 W C 1.641 178.079 176.519 -0.135 0.000 1.253 331 W CA 0.212 57.495 57.345 -0.104 0.000 1.759 331 W CB -0.699 28.717 29.460 -0.074 0.000 1.093 331 W HN 0.452 nan 8.180 nan 0.000 0.648 332 G N 0.926 109.714 108.800 -0.020 0.000 2.850 332 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.207 332 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.207 332 G C 0.576 175.414 174.900 -0.103 0.000 1.302 332 G CA -0.063 44.978 45.100 -0.099 0.000 0.832 332 G HN 0.044 nan 8.290 nan 0.000 0.543 333 M N 1.765 121.342 119.600 -0.037 0.000 2.284 333 M HA 0.425 4.905 4.480 -0.000 0.000 0.351 333 M C -0.844 175.399 176.300 -0.094 0.000 1.443 333 M CA 0.521 55.800 55.300 -0.036 0.000 1.031 333 M CB 0.567 33.165 32.600 -0.004 0.000 1.893 333 M HN 0.236 nan 8.290 nan 0.000 0.456 334 D N 4.033 124.460 120.400 0.045 0.000 2.412 334 D HA 0.275 4.915 4.640 -0.000 0.000 0.224 334 D C -0.075 176.375 176.300 0.250 0.000 1.093 334 D CA -0.370 53.713 54.000 0.138 0.000 0.850 334 D CB 0.398 41.309 40.800 0.185 0.000 1.046 334 D HN 0.696 nan 8.370 nan 0.000 0.507 335 F N 1.507 121.526 119.950 0.116 0.000 2.367 335 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 335 F C 2.279 178.113 175.800 0.057 0.000 1.094 335 F CA -0.226 57.822 58.000 0.080 0.000 1.409 335 F CB 0.468 39.510 39.000 0.069 0.000 1.064 335 F HN 0.345 nan 8.300 nan 0.000 0.528 336 E N 0.864 121.205 120.200 0.234 0.000 2.068 336 E HA -0.310 4.040 4.350 -0.000 0.000 0.207 336 E C 1.876 178.545 176.600 0.115 0.000 1.032 336 E CA 1.910 58.386 56.400 0.126 0.000 0.839 336 E CB -0.397 29.343 29.700 0.065 0.000 0.758 336 E HN 0.343 nan 8.360 nan 0.000 0.457 337 E N 0.255 120.531 120.200 0.126 0.000 2.031 337 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 337 E C 2.032 178.697 176.600 0.108 0.000 0.994 337 E CA 1.145 57.606 56.400 0.103 0.000 0.800 337 E CB -0.224 29.537 29.700 0.102 0.000 0.752 337 E HN 0.109 nan 8.360 nan 0.000 0.447 338 M N 0.671 120.360 119.600 0.147 0.000 2.195 338 M HA -0.230 4.250 4.480 -0.000 0.000 0.254 338 M C 1.817 178.166 176.300 0.082 0.000 1.083 338 M CA 1.687 57.058 55.300 0.119 0.000 1.069 338 M CB -1.047 31.638 32.600 0.142 0.000 1.364 338 M HN 0.250 nan 8.290 nan 0.000 0.403 339 E N -0.396 119.852 120.200 0.079 0.000 2.042 339 E HA -0.081 4.269 4.350 -0.000 0.000 0.189 339 E C 2.151 178.794 176.600 0.071 0.000 0.974 339 E CA 0.515 56.952 56.400 0.062 0.000 0.806 339 E CB -0.141 29.584 29.700 0.042 0.000 0.769 339 E HN 0.539 nan 8.360 nan 0.000 0.451 340 R N 1.301 121.838 120.500 0.061 0.000 2.112 340 R HA -0.167 4.173 4.340 -0.000 0.000 0.242 340 R C 1.890 178.219 176.300 0.049 0.000 1.137 340 R CA 1.368 57.497 56.100 0.050 0.000 0.944 340 R CB -0.308 30.017 30.300 0.043 0.000 0.857 340 R HN 0.206 nan 8.270 nan 0.000 0.435 341 Q N 1.363 121.194 119.800 0.051 0.000 2.362 341 Q HA 0.003 4.343 4.340 -0.000 0.000 0.215 341 Q C -0.617 175.408 176.000 0.040 0.000 0.944 341 Q CA -0.313 55.513 55.803 0.039 0.000 0.964 341 Q CB -0.355 28.406 28.738 0.038 0.000 0.998 341 Q HN 0.245 nan 8.270 nan 0.000 0.488 342 N N 0.737 119.477 118.700 0.066 0.000 2.903 342 N HA -0.218 4.522 4.740 -0.000 0.000 0.296 342 N C -0.353 175.172 175.510 0.025 0.000 1.037 342 N CA 0.672 53.782 53.050 0.100 0.000 0.841 342 N CB -0.336 38.180 38.487 0.049 0.000 0.958 342 N HN 0.398 nan 8.380 nan 0.000 0.605 343 L N -0.778 120.523 121.223 0.129 0.000 3.360 343 L HA 0.280 4.619 4.340 -0.000 0.000 0.303 343 L C -0.493 176.538 176.870 0.269 0.000 1.218 343 L CA -0.100 54.791 54.840 0.084 0.000 1.059 343 L CB 0.500 42.583 42.059 0.040 0.000 1.468 343 L HN 0.276 nan 8.230 nan 0.000 0.614 344 L N 1.085 122.518 121.223 0.351 0.000 2.493 344 L HA 0.514 4.854 4.340 -0.000 0.000 0.265 344 L C -1.671 175.171 176.870 -0.047 0.000 0.954 344 L CA -0.144 54.788 54.840 0.153 0.000 0.844 344 L CB 2.162 44.208 42.059 -0.022 0.000 1.302 344 L HN 0.016 nan 8.230 nan 0.000 0.405 345 K N 5.343 125.512 120.400 -0.384 0.000 2.471 345 K HA 0.642 4.962 4.320 -0.000 0.000 0.252 345 K C -1.372 174.937 176.600 -0.486 0.000 0.938 345 K CA -0.549 55.383 56.287 -0.591 0.000 0.796 345 K CB 1.849 33.618 32.500 -1.218 0.000 1.161 345 K HN 0.654 nan 8.250 nan 0.000 0.425 346 I N 4.789 125.132 120.570 -0.378 0.000 2.392 346 I HA 0.180 4.350 4.170 -0.000 0.000 0.295 346 I C 0.766 176.667 176.117 -0.359 0.000 0.985 346 I CA -0.684 60.410 61.300 -0.344 0.000 1.221 346 I CB 1.798 39.665 38.000 -0.223 0.000 1.366 346 I HN 0.467 nan 8.210 nan 0.000 0.467 347 V N 3.124 122.781 119.914 -0.429 0.000 2.607 347 V HA 0.098 4.217 4.120 -0.000 0.000 0.228 347 V C 0.316 176.264 176.094 -0.243 0.000 1.106 347 V CA 0.077 62.159 62.300 -0.363 0.000 1.141 347 V CB 0.007 31.545 31.823 -0.475 0.000 0.808 347 V HN 0.964 nan 8.190 nan 0.000 0.501 348 C N 0.755 119.892 119.300 -0.273 0.000 0.923 348 C HA 0.311 4.771 4.460 -0.000 0.000 0.148 348 C C 0.022 174.871 174.990 -0.236 0.000 0.362 348 C CA -0.524 58.337 59.018 -0.261 0.000 2.023 348 C CB -2.096 25.528 27.740 -0.193 0.000 2.784 348 C HN 1.399 nan 8.230 nan 0.000 0.900 349 A N 4.523 127.172 122.820 -0.286 0.000 2.572 349 A HA 0.617 4.937 4.320 -0.000 0.000 0.303 349 A C -0.904 176.671 177.584 -0.015 0.000 1.059 349 A CA -0.617 51.346 52.037 -0.125 0.000 0.788 349 A CB 0.463 19.471 19.000 0.013 0.000 1.282 349 A HN 1.082 nan 8.150 nan 0.000 0.397 350 Y N 1.793 122.152 120.300 0.098 0.000 2.511 350 Y HA 0.196 4.746 4.550 -0.000 0.000 0.347 350 Y C -1.248 174.791 175.900 0.232 0.000 1.257 350 Y CA -0.418 57.767 58.100 0.141 0.000 1.469 350 Y CB 0.564 39.079 38.460 0.092 0.000 1.353 350 Y HN 0.540 nan 8.280 nan 0.000 0.617 351 P HA -0.075 nan 4.420 nan 0.000 0.222 351 P C 0.574 178.023 177.300 0.248 0.000 1.153 351 P CA 1.161 64.397 63.100 0.226 0.000 0.798 351 P CB 0.323 32.054 31.700 0.051 0.000 0.796 352 E N -0.440 119.871 120.200 0.185 0.000 2.418 352 E HA -0.080 4.269 4.350 -0.000 0.000 0.197 352 E C 1.588 178.250 176.600 0.103 0.000 1.026 352 E CA 0.871 57.326 56.400 0.093 0.000 0.862 352 E CB -0.797 28.899 29.700 -0.006 0.000 0.799 352 E HN 0.285 nan 8.360 nan 0.000 0.518 353 S N -1.038 114.773 115.700 0.184 0.000 2.603 353 S HA 0.352 4.822 4.470 -0.000 0.000 0.229 353 S C 0.814 175.445 174.600 0.051 0.000 0.972 353 S CA 0.218 58.497 58.200 0.132 0.000 0.935 353 S CB 0.154 63.468 63.200 0.189 0.000 0.769 353 S HN 0.258 nan 8.310 nan 0.000 0.536 354 A N 0.008 122.854 122.820 0.043 0.000 5.767 354 A HA 0.796 5.116 4.320 -0.000 0.000 0.190 354 A C -0.305 177.248 177.584 -0.052 0.000 0.899 354 A CA -0.306 51.677 52.037 -0.090 0.000 0.816 354 A CB 0.054 18.848 19.000 -0.343 0.000 2.140 354 A HN 0.934 nan 8.150 nan 0.000 1.042 355 G N -1.659 107.053 108.800 -0.146 0.000 2.672 355 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 355 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 355 G C -0.095 174.773 174.900 -0.053 0.000 1.375 355 G CA -0.408 44.660 45.100 -0.053 0.000 0.890 355 G HN 0.668 nan 8.290 nan 0.000 0.476 356 L N 0.435 121.600 121.223 -0.097 0.000 2.129 356 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 356 L C 2.882 179.628 176.870 -0.208 0.000 1.087 356 L CA 2.445 57.097 54.840 -0.312 0.000 0.757 356 L CB -0.595 41.255 42.059 -0.349 0.000 0.896 356 L HN 0.916 nan 8.230 nan 0.000 0.434 357 E N -0.714 119.412 120.200 -0.125 0.000 2.031 357 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 357 E C 1.430 177.961 176.600 -0.115 0.000 0.994 357 E CA 1.550 57.889 56.400 -0.102 0.000 0.800 357 E CB -0.455 29.223 29.700 -0.037 0.000 0.752 357 E HN 0.431 nan 8.360 nan 0.000 0.447 358 D N 0.252 120.580 120.400 -0.120 0.000 2.178 358 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 358 D C 1.949 178.159 176.300 -0.149 0.000 0.980 358 D CA 1.019 54.945 54.000 -0.123 0.000 0.842 358 D CB -0.269 40.419 40.800 -0.188 0.000 0.948 358 D HN 0.382 nan 8.370 nan 0.000 0.472 359 H N 0.718 119.733 119.070 -0.092 0.000 2.268 359 H HA -0.022 4.534 4.556 -0.000 0.000 0.304 359 H C 2.291 177.606 175.328 -0.021 0.000 1.064 359 H CA 0.285 56.296 56.048 -0.062 0.000 1.316 359 H CB -0.705 28.914 29.762 -0.239 0.000 1.386 359 H HN 0.054 nan 8.280 nan 0.000 0.496 360 L N 1.506 122.794 121.223 0.110 0.000 2.171 360 L HA -0.291 4.049 4.340 -0.000 0.000 0.216 360 L C 2.171 178.914 176.870 -0.211 0.000 1.084 360 L CA 1.868 56.727 54.840 0.031 0.000 0.771 360 L CB -0.669 41.298 42.059 -0.153 0.000 0.890 360 L HN 0.405 nan 8.230 nan 0.000 0.437 361 Q N -0.559 119.120 119.800 -0.202 0.000 1.969 361 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 361 Q C 2.302 178.354 176.000 0.087 0.000 0.978 361 Q CA 1.625 57.425 55.803 -0.005 0.000 0.830 361 Q CB 0.048 28.913 28.738 0.212 0.000 0.896 361 Q HN 0.508 nan 8.270 nan 0.000 0.431 362 I N 1.469 122.106 120.570 0.112 0.000 2.143 362 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 362 I C 2.445 178.682 176.117 0.201 0.000 1.068 362 I CA 1.511 62.911 61.300 0.166 0.000 1.326 362 I CB -1.516 36.604 38.000 0.199 0.000 1.028 362 I HN 0.359 nan 8.210 nan 0.000 0.412 363 I N 0.480 121.123 120.570 0.123 0.000 2.099 363 I HA -0.327 3.843 4.170 -0.000 0.000 0.239 363 I C 2.695 178.857 176.117 0.074 0.000 1.066 363 I CA 1.555 62.856 61.300 0.002 0.000 1.324 363 I CB -0.418 37.442 38.000 -0.234 0.000 1.037 363 I HN 0.246 nan 8.210 nan 0.000 0.401 364 K N 0.345 120.705 120.400 -0.066 0.000 1.977 364 K HA -0.256 4.064 4.320 -0.000 0.000 0.218 364 K C 2.299 178.961 176.600 0.103 0.000 1.051 364 K CA 2.167 58.353 56.287 -0.168 0.000 0.953 364 K CB -0.549 31.778 32.500 -0.288 0.000 0.727 364 K HN 0.188 nan 8.250 nan 0.000 0.445 365 S N 0.953 116.736 115.700 0.139 0.000 2.401 365 S HA -0.303 4.167 4.470 -0.000 0.000 0.236 365 S C 1.959 176.681 174.600 0.203 0.000 1.058 365 S CA 2.269 60.577 58.200 0.180 0.000 1.151 365 S CB -0.392 62.916 63.200 0.179 0.000 1.049 365 S HN 0.306 nan 8.310 nan 0.000 0.432 366 E N 0.762 121.093 120.200 0.219 0.000 2.065 366 E HA -0.136 4.214 4.350 -0.000 0.000 0.201 366 E C 1.944 178.705 176.600 0.267 0.000 1.016 366 E CA 1.863 58.399 56.400 0.226 0.000 0.818 366 E CB -0.556 29.301 29.700 0.261 0.000 0.749 366 E HN 0.702 nan 8.360 nan 0.000 0.453 367 I N 1.013 121.778 120.570 0.325 0.000 2.236 367 I HA -0.351 3.819 4.170 -0.000 0.000 0.249 367 I C 1.648 177.952 176.117 0.311 0.000 1.102 367 I CA 1.187 62.702 61.300 0.357 0.000 1.365 367 I CB -0.438 37.833 38.000 0.452 0.000 1.051 367 I HN 0.196 nan 8.210 nan 0.000 0.420 368 N N 0.615 119.484 118.700 0.282 0.000 2.459 368 N HA -0.080 4.660 4.740 -0.000 0.000 0.181 368 N C 0.149 175.773 175.510 0.191 0.000 1.046 368 N CA 0.920 54.105 53.050 0.224 0.000 0.904 368 N CB -0.082 38.526 38.487 0.202 0.000 0.964 368 N HN 0.428 nan 8.380 nan 0.000 0.444 369 D N -0.744 119.787 120.400 0.219 0.000 3.035 369 D HA 0.155 4.795 4.640 -0.000 0.000 0.290 369 D C -0.121 176.378 176.300 0.331 0.000 1.360 369 D CA -0.264 53.864 54.000 0.213 0.000 0.862 369 D CB -0.042 40.866 40.800 0.182 0.000 1.078 369 D HN 0.086 nan 8.370 nan 0.000 0.487 370 F N 1.009 121.007 119.950 0.080 0.000 3.430 370 F HA -0.058 4.468 4.527 -0.000 0.000 0.379 370 F C -0.482 175.358 175.800 0.067 0.000 1.157 370 F CA -0.411 57.627 58.000 0.064 0.000 0.700 370 F CB 0.112 39.149 39.000 0.063 0.000 1.878 370 F HN -0.180 nan 8.300 nan 0.000 0.454 371 K N 0.401 120.911 120.400 0.184 0.000 3.491 371 K HA -0.205 4.115 4.320 -0.000 0.000 0.271 371 K C -2.541 174.135 176.600 0.126 0.000 0.852 371 K CA 0.785 57.144 56.287 0.120 0.000 0.651 371 K CB -2.714 29.811 32.500 0.042 0.000 1.568 371 K HN 0.201 nan 8.250 nan 0.000 0.452 372 P HA -0.068 nan 4.420 nan 0.000 0.273 372 P C 0.573 177.957 177.300 0.140 0.000 1.237 372 P CA 0.880 64.119 63.100 0.232 0.000 0.813 372 P CB 0.489 32.360 31.700 0.284 0.000 0.930 373 A N -0.140 122.758 122.820 0.130 0.000 2.295 373 A HA 0.226 4.546 4.320 -0.000 0.000 0.193 373 A C 0.587 178.237 177.584 0.111 0.000 1.512 373 A CA 0.368 52.459 52.037 0.089 0.000 1.103 373 A CB 0.412 19.442 19.000 0.050 0.000 1.331 373 A HN 0.403 nan 8.150 nan 0.000 0.501 374 R N -1.228 119.362 120.500 0.149 0.000 2.799 374 R HA 0.817 5.157 4.340 -0.000 0.000 0.270 374 R C -1.868 174.582 176.300 0.251 0.000 1.010 374 R CA -0.519 55.711 56.100 0.215 0.000 0.916 374 R CB 2.206 32.609 30.300 0.171 0.000 1.228 374 R HN 0.254 nan 8.270 nan 0.000 0.469 375 I N 0.405 121.144 120.570 0.282 0.000 2.752 375 I HA 0.497 4.667 4.170 -0.000 0.000 0.290 375 I C -1.893 174.310 176.117 0.142 0.000 1.507 375 I CA -0.353 61.098 61.300 0.252 0.000 1.038 375 I CB 2.107 40.270 38.000 0.271 0.000 1.390 375 I HN 0.817 nan 8.210 nan 0.000 0.435 376 A N 7.625 130.577 122.820 0.219 0.000 2.455 376 A HA 0.790 5.110 4.320 -0.000 0.000 0.300 376 A C -1.476 176.331 177.584 0.372 0.000 1.040 376 A CA -0.433 51.690 52.037 0.143 0.000 0.697 376 A CB 1.459 20.498 19.000 0.066 0.000 1.265 376 A HN 0.548 nan 8.150 nan 0.000 0.407 377 I N 1.707 122.561 120.570 0.473 0.000 2.339 377 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 377 I C -0.561 175.801 176.117 0.410 0.000 0.994 377 I CA -0.490 61.129 61.300 0.532 0.000 1.191 377 I CB 1.720 40.009 38.000 0.482 0.000 1.343 377 I HN 0.661 nan 8.210 nan 0.000 0.458 378 D N 5.841 126.486 120.400 0.409 0.000 2.498 378 D HA 0.121 4.761 4.640 -0.000 0.000 0.229 378 D C -0.014 176.465 176.300 0.298 0.000 1.188 378 D CA 0.936 55.124 54.000 0.314 0.000 1.028 378 D CB 0.076 41.038 40.800 0.271 0.000 1.087 378 D HN 0.541 nan 8.370 nan 0.000 0.510 379 S N 2.262 118.092 115.700 0.216 0.000 3.027 379 S HA -0.155 4.315 4.470 -0.000 0.000 0.809 379 S C 0.752 175.389 174.600 0.062 0.000 0.729 379 S CA -0.272 58.008 58.200 0.135 0.000 1.515 379 S CB -1.174 62.099 63.200 0.121 0.000 1.062 379 S HN 0.494 nan 8.310 nan 0.000 0.682 380 L N 4.441 125.706 121.223 0.069 0.000 2.095 380 L HA -0.033 4.306 4.340 -0.000 0.000 0.204 380 L C 2.631 179.492 176.870 -0.014 0.000 1.080 380 L CA 1.563 56.467 54.840 0.107 0.000 0.759 380 L CB -0.612 41.581 42.059 0.223 0.000 0.914 380 L HN 0.972 nan 8.230 nan 0.000 0.439 381 S N -0.001 115.647 115.700 -0.087 0.000 2.465 381 S HA -0.156 4.314 4.470 -0.000 0.000 0.241 381 S C 1.851 176.339 174.600 -0.188 0.000 1.000 381 S CA 0.925 58.994 58.200 -0.218 0.000 0.964 381 S CB -0.311 62.819 63.200 -0.116 0.000 0.763 381 S HN 0.362 nan 8.310 nan 0.000 0.512 382 A N 0.688 123.445 122.820 -0.104 0.000 2.132 382 A HA 0.468 4.788 4.320 -0.000 0.000 0.213 382 A C 2.063 179.567 177.584 -0.134 0.000 1.154 382 A CA 0.266 52.264 52.037 -0.065 0.000 0.753 382 A CB -0.346 18.673 19.000 0.031 0.000 0.826 382 A HN 0.543 nan 8.150 nan 0.000 0.469 383 L N -1.467 119.631 121.223 -0.209 0.000 2.416 383 L HA 0.095 4.435 4.340 -0.000 0.000 0.216 383 L C 2.504 179.256 176.870 -0.198 0.000 1.098 383 L CA 0.806 55.494 54.840 -0.253 0.000 0.840 383 L CB -0.056 41.861 42.059 -0.237 0.000 0.981 383 L HN 0.397 nan 8.230 nan 0.000 0.462 384 A N -0.412 122.133 122.820 -0.459 0.000 2.251 384 A HA -0.025 4.294 4.320 -0.000 0.000 0.209 384 A C 1.217 178.595 177.584 -0.344 0.000 1.187 384 A CA -0.148 51.468 52.037 -0.701 0.000 0.823 384 A CB -0.296 17.809 19.000 -1.491 0.000 0.846 384 A HN 0.200 nan 8.150 nan 0.000 0.486 385 R N 0.188 120.547 120.500 -0.235 0.000 2.473 385 R HA 0.228 4.568 4.340 -0.000 0.000 0.315 385 R C 1.234 177.471 176.300 -0.105 0.000 0.972 385 R CA 1.071 57.086 56.100 -0.142 0.000 1.047 385 R CB -0.268 29.979 30.300 -0.087 0.000 0.932 385 R HN 0.721 nan 8.270 nan 0.000 0.411 386 G N 2.440 111.184 108.800 -0.093 0.000 2.184 386 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 386 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 386 G C -0.170 174.695 174.900 -0.058 0.000 0.975 386 G CA 0.284 45.344 45.100 -0.066 0.000 0.642 386 G HN 0.514 nan 8.290 nan 0.000 0.536 387 V N 1.353 121.226 119.914 -0.068 0.000 2.628 387 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 387 V C 1.083 177.159 176.094 -0.030 0.000 1.045 387 V CA -0.340 61.938 62.300 -0.037 0.000 0.905 387 V CB 1.741 33.557 31.823 -0.012 0.000 0.997 387 V HN 1.056 nan 8.190 nan 0.000 0.436 388 S N 2.884 118.576 115.700 -0.013 0.000 2.559 388 S HA -0.069 4.401 4.470 -0.000 0.000 0.282 388 S C 1.171 175.783 174.600 0.019 0.000 1.336 388 S CA 0.566 58.760 58.200 -0.011 0.000 1.037 388 S CB 0.224 63.420 63.200 -0.007 0.000 0.853 388 S HN 0.896 nan 8.310 nan 0.000 0.523 389 N N 2.528 121.230 118.700 0.002 0.000 2.058 389 N HA -0.198 4.542 4.740 -0.000 0.000 0.191 389 N C 1.116 176.671 175.510 0.075 0.000 1.037 389 N CA 1.755 54.826 53.050 0.035 0.000 0.848 389 N CB -0.825 37.645 38.487 -0.029 0.000 1.021 389 N HN 0.730 nan 8.380 nan 0.000 0.422 390 N N 1.071 119.790 118.700 0.033 0.000 2.334 390 N HA -0.144 4.596 4.740 -0.000 0.000 0.187 390 N C 1.510 177.040 175.510 0.034 0.000 1.016 390 N CA 1.193 54.259 53.050 0.026 0.000 0.879 390 N CB -0.368 38.122 38.487 0.006 0.000 0.965 390 N HN 0.417 nan 8.380 nan 0.000 0.438 391 A N -0.014 122.838 122.820 0.054 0.000 1.935 391 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 391 A C 2.000 179.647 177.584 0.105 0.000 1.178 391 A CA 0.316 52.387 52.037 0.056 0.000 0.640 391 A CB -0.546 18.480 19.000 0.042 0.000 0.825 391 A HN 0.225 nan 8.150 nan 0.000 0.447 392 F N 0.541 120.491 119.950 -0.001 0.000 2.098 392 F HA 0.012 4.539 4.527 -0.000 0.000 0.294 392 F C 2.209 178.032 175.800 0.038 0.000 1.107 392 F CA 1.625 59.648 58.000 0.037 0.000 1.234 392 F CB -0.367 38.628 39.000 -0.008 0.000 1.002 392 F HN 0.142 nan 8.300 nan 0.000 0.472 393 R N 0.240 120.763 120.500 0.038 0.000 2.226 393 R HA -0.255 4.085 4.340 -0.000 0.000 0.246 393 R C 2.365 178.572 176.300 -0.155 0.000 1.161 393 R CA 1.921 57.974 56.100 -0.077 0.000 0.997 393 R CB -0.371 29.946 30.300 0.029 0.000 0.870 393 R HN 0.553 nan 8.270 nan 0.000 0.465 394 Q N -0.753 118.986 119.800 -0.102 0.000 2.036 394 Q HA -0.159 4.181 4.340 -0.000 0.000 0.195 394 Q C 1.834 177.753 176.000 -0.136 0.000 0.971 394 Q CA 1.231 56.984 55.803 -0.082 0.000 0.826 394 Q CB -0.253 28.473 28.738 -0.021 0.000 0.896 394 Q HN 0.362 nan 8.270 nan 0.000 0.449 395 F N 1.253 121.026 119.950 -0.295 0.000 2.111 395 F HA -0.278 4.249 4.527 -0.000 0.000 0.300 395 F C 1.834 177.371 175.800 -0.438 0.000 1.088 395 F CA 1.540 59.331 58.000 -0.349 0.000 1.243 395 F CB -0.667 38.116 39.000 -0.362 0.000 0.996 395 F HN -0.060 nan 8.300 nan 0.000 0.483 396 V N 0.997 120.373 119.914 -0.897 0.000 2.244 396 V HA -0.299 3.821 4.120 -0.000 0.000 0.244 396 V C 2.525 178.282 176.094 -0.562 0.000 1.042 396 V CA 1.831 63.561 62.300 -0.951 0.000 1.006 396 V CB -0.668 30.675 31.823 -0.801 0.000 0.641 396 V HN 0.336 nan 8.190 nan 0.000 0.446 397 I N 1.102 121.462 120.570 -0.350 0.000 2.623 397 I HA -0.202 3.968 4.170 -0.000 0.000 0.261 397 I C 2.300 178.324 176.117 -0.156 0.000 1.204 397 I CA 1.864 63.052 61.300 -0.186 0.000 1.444 397 I CB -1.820 36.115 38.000 -0.108 0.000 1.094 397 I HN 0.436 nan 8.210 nan 0.000 0.451 398 G N -0.016 108.638 108.800 -0.244 0.000 2.459 398 G HA2 0.016 3.976 3.960 -0.000 0.000 0.213 398 G HA3 0.016 3.976 3.960 -0.000 0.000 0.213 398 G C 1.698 176.487 174.900 -0.186 0.000 1.155 398 G CA 0.383 45.380 45.100 -0.172 0.000 0.811 398 G HN 0.285 nan 8.290 nan 0.000 0.534 399 V N 0.584 120.269 119.914 -0.382 0.000 2.685 399 V HA -0.039 4.081 4.120 -0.000 0.000 0.244 399 V C 2.976 179.039 176.094 -0.053 0.000 1.054 399 V CA 1.933 64.068 62.300 -0.276 0.000 1.076 399 V CB -0.376 31.088 31.823 -0.597 0.000 0.725 399 V HN 0.281 nan 8.190 nan 0.000 0.467 400 T N 0.791 115.263 114.554 -0.137 0.000 2.746 400 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 400 T C 1.878 176.618 174.700 0.068 0.000 1.039 400 T CA 1.776 63.901 62.100 0.041 0.000 1.142 400 T CB -0.467 68.379 68.868 -0.037 0.000 0.866 400 T HN 0.607 nan 8.240 nan 0.000 0.444 401 G N -0.538 108.286 108.800 0.041 0.000 2.396 401 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.214 401 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.214 401 G C 1.294 176.262 174.900 0.114 0.000 1.166 401 G CA 0.311 45.451 45.100 0.067 0.000 0.793 401 G HN 0.434 nan 8.290 nan 0.000 0.533 402 Y N 2.025 122.336 120.300 0.019 0.000 2.006 402 Y HA -0.158 4.392 4.550 -0.000 0.000 0.266 402 Y C 3.060 178.996 175.900 0.060 0.000 1.133 402 Y CA 1.862 59.990 58.100 0.047 0.000 1.098 402 Y CB -0.813 37.673 38.460 0.044 0.000 0.969 402 Y HN 0.246 nan 8.280 nan 0.000 0.482 403 A N 0.042 122.959 122.820 0.163 0.000 1.971 403 A HA -0.334 3.986 4.320 -0.000 0.000 0.222 403 A C 2.267 179.856 177.584 0.008 0.000 1.182 403 A CA 2.380 54.463 52.037 0.077 0.000 0.649 403 A CB -0.838 18.256 19.000 0.158 0.000 0.818 403 A HN 0.606 nan 8.150 nan 0.000 0.458 404 K N -0.550 119.865 120.400 0.025 0.000 1.965 404 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 404 K C 2.044 178.631 176.600 -0.021 0.000 1.046 404 K CA 1.636 57.929 56.287 0.010 0.000 0.944 404 K CB -0.247 32.267 32.500 0.023 0.000 0.726 404 K HN 0.827 nan 8.250 nan 0.000 0.441 405 Q N 0.276 120.054 119.800 -0.037 0.000 2.476 405 Q HA -0.084 4.256 4.340 -0.000 0.000 0.215 405 Q C 0.468 176.409 176.000 -0.098 0.000 0.966 405 Q CA 0.874 56.648 55.803 -0.049 0.000 0.976 405 Q CB 0.377 29.097 28.738 -0.030 0.000 0.988 405 Q HN 0.163 nan 8.270 nan 0.000 0.526 406 E N 0.552 120.680 120.200 -0.120 0.000 2.641 406 E HA 0.020 4.370 4.350 -0.000 0.000 0.224 406 E C -0.393 176.173 176.600 -0.056 0.000 0.951 406 E CA 0.070 56.384 56.400 -0.144 0.000 1.102 406 E CB 0.496 30.014 29.700 -0.303 0.000 1.091 406 E HN 0.341 nan 8.360 nan 0.000 0.507 407 E N -0.664 119.523 120.200 -0.022 0.000 3.916 407 E HA -0.234 4.116 4.350 -0.000 0.000 0.331 407 E C -0.245 176.378 176.600 0.039 0.000 0.729 407 E CA 0.934 57.343 56.400 0.014 0.000 1.222 407 E CB -2.052 27.656 29.700 0.015 0.000 1.633 407 E HN 0.420 nan 8.360 nan 0.000 0.437 408 I N 2.257 122.850 120.570 0.039 0.000 2.371 408 I HA 0.068 4.238 4.170 -0.000 0.000 0.290 408 I C 0.849 177.019 176.117 0.088 0.000 1.028 408 I CA -0.056 61.291 61.300 0.077 0.000 1.345 408 I CB 0.902 38.960 38.000 0.096 0.000 1.407 408 I HN -0.224 nan 8.210 nan 0.000 0.501 409 T N 4.949 119.580 114.554 0.129 0.000 2.834 409 T HA 0.312 4.662 4.350 -0.000 0.000 0.298 409 T C 0.455 175.206 174.700 0.085 0.000 0.966 409 T CA -0.490 61.703 62.100 0.155 0.000 1.141 409 T CB 0.817 69.861 68.868 0.293 0.000 0.905 409 T HN 0.838 nan 8.240 nan 0.000 0.535 410 G N 2.652 111.401 108.800 -0.085 0.000 2.502 410 G HA2 0.560 4.520 3.960 -0.000 0.000 0.311 410 G HA3 0.560 4.520 3.960 -0.000 0.000 0.311 410 G C -1.050 173.429 174.900 -0.702 0.000 1.270 410 G CA -0.597 44.246 45.100 -0.428 0.000 0.948 410 G HN 0.707 nan 8.290 nan 0.000 0.487 411 L N 3.059 123.801 121.223 -0.802 0.000 2.305 411 L HA 0.808 5.148 4.340 -0.000 0.000 0.284 411 L C -1.300 175.179 176.870 -0.651 0.000 1.013 411 L CA -0.791 53.612 54.840 -0.729 0.000 0.819 411 L CB 0.581 42.104 42.059 -0.893 0.000 1.227 411 L HN 0.397 nan 8.230 nan 0.000 0.417 412 F N 1.724 121.606 119.950 -0.112 0.000 2.575 412 F HA 0.639 5.166 4.527 -0.000 0.000 0.330 412 F C 0.341 176.125 175.800 -0.027 0.000 1.056 412 F CA -0.899 57.074 58.000 -0.045 0.000 0.964 412 F CB 2.321 41.297 39.000 -0.041 0.000 1.258 412 F HN 0.293 nan 8.300 nan 0.000 0.484 413 T N 1.094 115.796 114.554 0.247 0.000 2.770 413 T HA 0.269 4.619 4.350 -0.000 0.000 0.283 413 T C -1.093 173.678 174.700 0.118 0.000 0.988 413 T CA -0.751 61.437 62.100 0.147 0.000 0.957 413 T CB 0.867 69.825 68.868 0.150 0.000 0.930 413 T HN 0.436 nan 8.240 nan 0.000 0.443 414 N N 1.947 120.697 118.700 0.082 0.000 2.491 414 N HA 0.265 5.005 4.740 -0.000 0.000 0.274 414 N C -0.922 174.613 175.510 0.042 0.000 1.023 414 N CA -0.475 52.608 53.050 0.055 0.000 0.902 414 N CB 1.190 39.706 38.487 0.047 0.000 1.267 414 N HN 0.329 nan 8.380 nan 0.000 0.503 415 T N 2.307 116.884 114.554 0.039 0.000 2.997 415 T HA 0.154 4.504 4.350 -0.000 0.000 0.311 415 T C 0.170 174.889 174.700 0.032 0.000 1.079 415 T CA -0.485 61.645 62.100 0.049 0.000 0.982 415 T CB -0.686 68.218 68.868 0.061 0.000 1.032 415 T HN 0.635 nan 8.240 nan 0.000 0.581 416 S N 2.546 118.265 115.700 0.031 0.000 2.561 416 S HA -0.054 4.416 4.470 -0.000 0.000 0.294 416 S C 0.952 175.567 174.600 0.025 0.000 1.294 416 S CA -0.512 57.697 58.200 0.015 0.000 1.055 416 S CB 0.664 63.869 63.200 0.008 0.000 0.819 416 S HN 0.526 nan 8.310 nan 0.000 0.503 417 D N 1.523 121.923 120.400 0.000 0.000 2.263 417 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 417 D C 0.854 177.165 176.300 0.018 0.000 0.971 417 D CA 1.276 55.278 54.000 0.003 0.000 0.867 417 D CB 0.006 40.794 40.800 -0.021 0.000 0.929 417 D HN 0.929 nan 8.370 nan 0.000 0.492 418 Q N 0.289 120.086 119.800 -0.004 0.000 2.290 418 Q HA 0.322 4.661 4.340 -0.000 0.000 0.269 418 Q C -0.526 175.434 176.000 -0.068 0.000 1.016 418 Q CA -1.064 54.707 55.803 -0.054 0.000 0.754 418 Q CB 1.001 29.651 28.738 -0.148 0.000 1.247 418 Q HN -0.010 nan 8.270 nan 0.000 0.451 419 F N 1.894 121.834 119.950 -0.018 0.000 2.518 419 F HA 0.457 4.983 4.527 -0.000 0.000 0.359 419 F C 0.178 175.963 175.800 -0.025 0.000 1.118 419 F CA -0.802 57.200 58.000 0.004 0.000 1.287 419 F CB 0.429 39.402 39.000 -0.045 0.000 1.132 419 F HN 0.752 nan 8.300 nan 0.000 0.587 420 M N 3.241 122.865 119.600 0.040 0.000 4.047 420 M HA -0.109 4.371 4.480 -0.000 0.000 0.157 420 M C 0.907 177.061 176.300 -0.242 0.000 1.532 420 M CA 1.209 56.459 55.300 -0.084 0.000 1.097 420 M CB -1.151 31.404 32.600 -0.074 0.000 1.346 420 M HN 1.679 nan 8.290 nan 0.000 0.190 421 G N 0.920 109.592 108.800 -0.214 0.000 2.184 421 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.264 421 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.264 421 G C 0.287 174.917 174.900 -0.451 0.000 0.975 421 G CA 0.516 45.419 45.100 -0.330 0.000 0.642 421 G HN 1.969 nan 8.290 nan 0.000 0.536 422 A N 0.464 123.111 122.820 -0.289 0.000 2.546 422 A HA 0.435 4.754 4.320 -0.000 0.000 0.243 422 A C 0.675 178.100 177.584 -0.265 0.000 1.063 422 A CA 0.456 52.362 52.037 -0.218 0.000 0.757 422 A CB -0.042 18.888 19.000 -0.116 0.000 0.991 422 A HN 0.494 nan 8.150 nan 0.000 0.503 423 H N 1.732 120.771 119.070 -0.052 0.000 2.579 423 H HA 0.360 4.916 4.556 -0.000 0.000 0.289 423 H C -0.201 175.096 175.328 -0.052 0.000 1.270 423 H CA 0.819 56.840 56.048 -0.045 0.000 1.060 423 H CB -0.250 29.493 29.762 -0.032 0.000 1.554 423 H HN 0.813 nan 8.280 nan 0.000 0.515 424 S N -0.386 115.313 115.700 -0.000 0.000 2.674 424 S HA 0.148 4.618 4.470 -0.000 0.000 0.321 424 S C -0.460 174.080 174.600 -0.099 0.000 0.934 424 S CA -0.881 57.293 58.200 -0.043 0.000 0.827 424 S CB 0.267 63.477 63.200 0.016 0.000 1.041 424 S HN 0.023 nan 8.310 nan 0.000 0.470 428 S N 0.281 115.932 115.700 -0.081 0.000 2.515 428 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 428 S C 0.084 174.661 174.600 -0.039 0.000 0.987 428 S CA 0.692 58.819 58.200 -0.121 0.000 0.936 428 S CB -0.351 62.873 63.200 0.040 0.000 0.766 428 S HN 0.289 nan 8.310 nan 0.000 0.528 429 H N -0.079 119.020 119.070 0.048 0.000 3.096 429 H HA -0.056 4.500 4.556 -0.000 0.000 0.350 429 H C 0.143 175.496 175.328 0.041 0.000 1.321 429 H CA 0.359 56.428 56.048 0.036 0.000 1.241 429 H CB -2.249 27.529 29.762 0.028 0.000 1.516 429 H HN 0.364 nan 8.280 nan 0.000 0.452 430 I N -1.437 119.227 120.570 0.156 0.000 3.939 430 I HA 0.146 4.316 4.170 -0.000 0.000 0.313 430 I C 2.539 178.690 176.117 0.057 0.000 1.274 430 I CA 0.964 62.317 61.300 0.089 0.000 1.301 430 I CB -0.917 37.139 38.000 0.094 0.000 1.105 430 I HN 0.409 nan 8.210 nan 0.000 0.427 431 A N 1.520 124.372 122.820 0.054 0.000 1.958 431 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 431 A C 2.157 179.763 177.584 0.036 0.000 1.178 431 A CA 1.824 53.884 52.037 0.037 0.000 0.642 431 A CB -0.641 18.374 19.000 0.025 0.000 0.816 431 A HN 0.482 nan 8.150 nan 0.000 0.453 432 E N -1.053 119.165 120.200 0.031 0.000 2.204 432 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 432 E C 1.524 178.136 176.600 0.019 0.000 0.990 432 E CA 1.167 57.581 56.400 0.023 0.000 0.821 432 E CB -0.216 29.495 29.700 0.018 0.000 0.750 432 E HN 0.670 nan 8.360 nan 0.000 0.477 433 I N 0.199 120.781 120.570 0.019 0.000 2.876 433 I HA -0.070 4.100 4.170 -0.000 0.000 0.264 433 I C 1.364 177.493 176.117 0.020 0.000 1.204 433 I CA 0.692 61.998 61.300 0.009 0.000 1.485 433 I CB 0.229 38.221 38.000 -0.013 0.000 1.103 433 I HN -0.145 nan 8.210 nan 0.000 0.446 434 T N -0.082 114.490 114.554 0.030 0.000 2.882 434 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 434 T C 0.811 175.520 174.700 0.015 0.000 0.992 434 T CA -0.543 61.576 62.100 0.031 0.000 1.076 434 T CB 0.797 69.689 68.868 0.039 0.000 0.961 434 T HN 0.095 nan 8.240 nan 0.000 0.490 435 D N 2.423 122.823 120.400 -0.001 0.000 2.146 435 D HA 0.052 4.692 4.640 -0.000 0.000 0.209 435 D C 0.436 176.733 176.300 -0.004 0.000 0.973 435 D CA 1.098 55.095 54.000 -0.005 0.000 0.860 435 D CB 0.091 40.882 40.800 -0.015 0.000 1.015 435 D HN 0.464 nan 8.370 nan 0.000 0.465 436 T N 1.261 115.783 114.554 -0.052 0.000 2.794 436 T HA 0.543 4.893 4.350 -0.000 0.000 0.280 436 T C 0.173 174.800 174.700 -0.122 0.000 0.987 436 T CA -0.407 61.634 62.100 -0.099 0.000 0.993 436 T CB 1.779 70.516 68.868 -0.219 0.000 0.939 436 T HN -0.097 nan 8.240 nan 0.000 0.449 437 I N 4.356 124.883 120.570 -0.071 0.000 2.382 437 I HA 0.353 4.523 4.170 -0.000 0.000 0.285 437 I C -0.613 175.478 176.117 -0.043 0.000 1.007 437 I CA -0.839 60.443 61.300 -0.029 0.000 1.142 437 I CB 1.234 39.291 38.000 0.096 0.000 1.289 437 I HN 0.356 nan 8.210 nan 0.000 0.453 438 I N 7.447 127.967 120.570 -0.084 0.000 2.307 438 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 438 I C -0.360 175.728 176.117 -0.049 0.000 1.021 438 I CA -0.635 60.621 61.300 -0.072 0.000 1.224 438 I CB 1.226 39.172 38.000 -0.090 0.000 1.376 438 I HN 0.355 nan 8.210 nan 0.000 0.470 439 L N 8.684 129.892 121.223 -0.025 0.000 2.277 439 L HA 0.486 4.826 4.340 -0.000 0.000 0.284 439 L C -0.797 176.072 176.870 -0.003 0.000 1.028 439 L CA -0.108 54.715 54.840 -0.029 0.000 0.835 439 L CB 0.697 42.728 42.059 -0.046 0.000 1.215 439 L HN 0.335 nan 8.230 nan 0.000 0.425 440 L N 6.027 127.252 121.223 0.004 0.000 2.276 440 L HA 0.539 4.878 4.340 -0.000 0.000 0.286 440 L C -0.089 176.800 176.870 0.032 0.000 1.061 440 L CA -0.464 54.405 54.840 0.048 0.000 0.807 440 L CB 1.103 43.198 42.059 0.060 0.000 1.177 440 L HN 0.720 nan 8.230 nan 0.000 0.429 441 Q N 2.033 121.859 119.800 0.043 0.000 2.423 441 Q HA 0.506 4.846 4.340 -0.000 0.000 0.278 441 Q C -1.601 174.386 176.000 -0.021 0.000 1.097 441 Q CA -0.983 54.839 55.803 0.031 0.000 0.809 441 Q CB 1.851 30.617 28.738 0.047 0.000 1.391 441 Q HN 0.368 nan 8.270 nan 0.000 0.428 442 Y N 0.189 120.521 120.300 0.054 0.000 2.307 442 Y HA 0.526 5.076 4.550 -0.000 0.000 0.324 442 Y C -0.299 175.584 175.900 -0.029 0.000 1.238 442 Y CA -0.364 57.749 58.100 0.021 0.000 1.280 442 Y CB 1.844 40.331 38.460 0.045 0.000 1.248 442 Y HN 0.401 nan 8.280 nan 0.000 0.508 443 V N 2.493 122.459 119.914 0.087 0.000 2.532 443 V HA 0.131 4.251 4.120 -0.000 0.000 0.294 443 V C -0.574 175.461 176.094 -0.098 0.000 1.036 443 V CA -1.269 60.970 62.300 -0.101 0.000 0.876 443 V CB 1.581 33.213 31.823 -0.317 0.000 1.012 443 V HN 0.713 nan 8.190 nan 0.000 0.432 444 E N 5.522 125.654 120.200 -0.112 0.000 2.003 444 E HA 0.271 4.621 4.350 -0.000 0.000 0.279 444 E C -1.138 175.360 176.600 -0.170 0.000 1.132 444 E CA -0.245 56.098 56.400 -0.095 0.000 0.888 444 E CB 0.445 30.105 29.700 -0.066 0.000 1.056 444 E HN 0.435 nan 8.360 nan 0.000 0.399 445 I N 4.147 124.647 120.570 -0.117 0.000 2.433 445 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 445 I C 0.738 176.856 176.117 0.002 0.000 1.001 445 I CA -0.720 60.517 61.300 -0.105 0.000 1.119 445 I CB 1.435 39.427 38.000 -0.014 0.000 1.289 445 I HN 0.672 nan 8.210 nan 0.000 0.438 446 R N 3.716 124.232 120.500 0.027 0.000 3.502 446 R HA -0.240 4.100 4.340 -0.000 0.000 0.266 446 R C 1.023 177.339 176.300 0.027 0.000 1.077 446 R CA 0.795 56.925 56.100 0.049 0.000 0.718 446 R CB -1.661 28.688 30.300 0.081 0.000 1.120 446 R HN 1.176 nan 8.270 nan 0.000 0.457 447 G N -1.122 107.682 108.800 0.007 0.000 2.143 447 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.249 447 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.249 447 G C -0.148 174.752 174.900 0.001 0.000 0.981 447 G CA 0.528 45.629 45.100 0.002 0.000 0.665 447 G HN 0.493 nan 8.290 nan 0.000 0.528 448 E N -0.384 119.819 120.200 0.005 0.000 2.288 448 E HA 0.522 4.872 4.350 -0.000 0.000 0.268 448 E C 0.115 176.723 176.600 0.012 0.000 0.885 448 E CA -1.139 55.267 56.400 0.010 0.000 0.767 448 E CB 0.938 30.652 29.700 0.024 0.000 1.220 448 E HN 0.061 nan 8.360 nan 0.000 0.427 449 M N 2.631 122.243 119.600 0.020 0.000 2.974 449 M HA 0.145 4.625 4.480 -0.000 0.000 0.301 449 M C -0.256 176.108 176.300 0.107 0.000 1.409 449 M CA -0.041 55.299 55.300 0.067 0.000 1.515 449 M CB -0.906 31.714 32.600 0.033 0.000 1.163 449 M HN 0.375 nan 8.290 nan 0.000 0.520 450 S N 1.849 117.593 115.700 0.075 0.000 2.646 450 S HA 0.755 5.225 4.470 -0.000 0.000 0.276 450 S C 0.308 174.911 174.600 0.005 0.000 1.222 450 S CA -0.936 57.289 58.200 0.042 0.000 1.014 450 S CB 1.967 65.231 63.200 0.105 0.000 0.991 450 S HN 0.531 nan 8.310 nan 0.000 0.533 451 R N 0.663 121.074 120.500 -0.149 0.000 2.562 451 R HA 0.901 5.241 4.340 -0.000 0.000 0.217 451 R C -0.224 176.132 176.300 0.093 0.000 1.234 451 R CA 0.134 56.078 56.100 -0.259 0.000 1.027 451 R CB -0.132 29.590 30.300 -0.963 0.000 1.525 451 R HN 1.123 nan 8.270 nan 0.000 0.527 452 A N -0.502 122.520 122.820 0.338 0.000 2.601 452 A HA 0.436 4.756 4.320 -0.000 0.000 0.303 452 A C -1.682 176.164 177.584 0.436 0.000 1.004 452 A CA -0.598 51.733 52.037 0.490 0.000 0.742 452 A CB 0.520 19.723 19.000 0.338 0.000 1.250 452 A HN 0.532 nan 8.150 nan 0.000 0.406 453 I N 1.436 122.130 120.570 0.205 0.000 2.608 453 I HA 0.775 4.945 4.170 -0.000 0.000 0.295 453 I C -0.983 175.126 176.117 -0.012 0.000 1.049 453 I CA -0.637 60.627 61.300 -0.060 0.000 1.063 453 I CB 2.146 39.877 38.000 -0.447 0.000 1.248 453 I HN 0.847 nan 8.210 nan 0.000 0.424 454 N N 4.882 123.571 118.700 -0.019 0.000 2.406 454 N HA 0.321 5.061 4.740 -0.000 0.000 0.283 454 N C -1.788 173.696 175.510 -0.044 0.000 1.074 454 N CA -0.495 52.549 53.050 -0.009 0.000 0.916 454 N CB 2.204 40.727 38.487 0.060 0.000 1.639 454 N HN 0.231 nan 8.380 nan 0.000 0.485 455 V N 5.295 125.132 119.914 -0.129 0.000 2.352 455 V HA 0.141 4.261 4.120 -0.000 0.000 0.253 455 V C 1.142 177.012 176.094 -0.374 0.000 1.083 455 V CA -0.212 61.945 62.300 -0.238 0.000 0.993 455 V CB -0.813 30.830 31.823 -0.301 0.000 1.111 455 V HN 0.713 nan 8.190 nan 0.000 0.490 456 F N 4.670 124.435 119.950 -0.309 0.000 2.134 456 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 456 F C 1.253 176.853 175.800 -0.332 0.000 1.097 456 F CA 1.501 59.350 58.000 -0.251 0.000 1.264 456 F CB 0.301 39.218 39.000 -0.137 0.000 1.001 456 F HN 0.523 nan 8.300 nan 0.000 0.479 457 K N -0.715 119.512 120.400 -0.289 0.000 2.572 457 K HA 0.460 4.780 4.320 -0.000 0.000 0.263 457 K C -1.608 174.961 176.600 -0.051 0.000 0.932 457 K CA -0.740 55.419 56.287 -0.213 0.000 0.838 457 K CB 1.459 33.943 32.500 -0.026 0.000 1.366 457 K HN 0.052 nan 8.250 nan 0.000 0.425 458 M N 2.807 122.527 119.600 0.200 0.000 2.326 458 M HA 0.372 4.852 4.480 -0.000 0.000 0.292 458 M C 0.286 176.708 176.300 0.204 0.000 1.081 458 M CA -0.754 54.691 55.300 0.241 0.000 0.919 458 M CB 2.373 35.197 32.600 0.372 0.000 1.634 458 M HN 0.766 nan 8.290 nan 0.000 0.451 459 R N 0.829 121.405 120.500 0.127 0.000 2.153 459 R HA 0.047 4.386 4.340 -0.000 0.000 0.218 459 R C 1.634 177.955 176.300 0.034 0.000 1.072 459 R CA 1.547 57.676 56.100 0.048 0.000 0.990 459 R CB 0.149 30.434 30.300 -0.025 0.000 0.889 459 R HN 0.918 nan 8.270 nan 0.000 0.452 460 G N -0.668 108.192 108.800 0.100 0.000 2.789 460 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.207 460 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.207 460 G C 0.556 175.685 174.900 0.380 0.000 1.153 460 G CA -0.046 45.145 45.100 0.151 0.000 0.847 460 G HN 0.249 nan 8.290 nan 0.000 0.615 461 S N -1.018 115.029 115.700 0.578 0.000 2.695 461 S HA 0.060 4.530 4.470 -0.000 0.000 0.250 461 S C 0.919 175.641 174.600 0.202 0.000 1.355 461 S CA 1.047 59.441 58.200 0.324 0.000 0.965 461 S CB 0.220 63.539 63.200 0.199 0.000 0.987 461 S HN 0.523 nan 8.310 nan 0.000 0.576 462 W N 0.741 122.003 121.300 -0.063 0.000 2.866 462 W HA 0.218 4.878 4.660 -0.000 0.000 0.258 462 W C 0.116 176.330 176.519 -0.507 0.000 1.183 462 W CA 1.294 58.492 57.345 -0.244 0.000 1.451 462 W CB -0.661 28.723 29.460 -0.127 0.000 0.959 462 W HN 1.100 nan 8.180 nan 0.000 0.622 463 H N 0.621 119.385 119.070 -0.510 0.000 3.297 463 H HA -0.255 4.301 4.556 -0.000 0.000 0.252 463 H C -0.816 173.655 175.328 -1.429 0.000 0.668 463 H CA 0.292 55.865 56.048 -0.792 0.000 0.872 463 H CB -1.472 28.076 29.762 -0.356 0.000 1.210 463 H HN 0.205 nan 8.280 nan 0.000 0.417 464 D N 1.543 121.499 120.400 -0.740 0.000 2.383 464 D HA 0.097 4.737 4.640 -0.000 0.000 0.252 464 D C 0.779 176.967 176.300 -0.187 0.000 1.166 464 D CA -0.399 53.288 54.000 -0.521 0.000 0.879 464 D CB 0.712 41.372 40.800 -0.235 0.000 1.164 464 D HN 0.494 nan 8.370 nan 0.000 0.462 465 K N 2.070 122.403 120.400 -0.112 0.000 2.459 465 K HA 0.145 4.465 4.320 -0.000 0.000 0.193 465 K C 0.405 177.013 176.600 0.013 0.000 1.030 465 K CA 0.012 56.290 56.287 -0.015 0.000 1.026 465 K CB 0.025 32.546 32.500 0.034 0.000 0.809 465 K HN 0.387 nan 8.250 nan 0.000 0.504 466 A N 1.220 124.056 122.820 0.026 0.000 2.269 466 A HA 0.576 4.896 4.320 -0.000 0.000 0.319 466 A C -0.102 177.525 177.584 0.072 0.000 1.110 466 A CA -0.625 51.450 52.037 0.063 0.000 0.847 466 A CB 0.438 19.482 19.000 0.074 0.000 1.161 466 A HN 0.167 nan 8.150 nan 0.000 0.497 467 I N 1.895 122.544 120.570 0.132 0.000 2.287 467 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 467 I C 0.156 176.406 176.117 0.221 0.000 1.069 467 I CA -0.038 61.368 61.300 0.177 0.000 1.237 467 I CB 0.368 38.502 38.000 0.224 0.000 1.418 467 I HN 0.569 nan 8.210 nan 0.000 0.481 468 R N 5.813 126.397 120.500 0.140 0.000 2.308 468 R HA 0.229 4.569 4.340 -0.000 0.000 0.305 468 R C 0.299 176.707 176.300 0.181 0.000 1.053 468 R CA -0.579 55.575 56.100 0.091 0.000 0.957 468 R CB 1.148 31.470 30.300 0.036 0.000 1.022 468 R HN 0.638 nan 8.270 nan 0.000 0.461 469 E N 3.520 123.756 120.200 0.061 0.000 2.397 469 E HA 0.265 4.615 4.350 -0.000 0.000 0.254 469 E C -0.558 176.214 176.600 0.287 0.000 1.231 469 E CA -0.499 56.022 56.400 0.202 0.000 0.954 469 E CB 0.617 30.264 29.700 -0.088 0.000 1.024 469 E HN 0.501 nan 8.360 nan 0.000 0.481 470 F N -1.411 118.550 119.950 0.020 0.000 2.746 470 F HA 0.446 4.973 4.527 -0.000 0.000 0.311 470 F C -1.705 174.092 175.800 -0.005 0.000 1.135 470 F CA -1.368 56.626 58.000 -0.011 0.000 0.954 470 F CB 0.879 39.865 39.000 -0.024 0.000 1.276 470 F HN 0.601 nan 8.300 nan 0.000 0.440 471 M N 2.790 122.344 119.600 -0.077 0.000 2.690 471 M HA 0.778 5.258 4.480 -0.000 0.000 0.302 471 M C -2.007 174.254 176.300 -0.065 0.000 1.234 471 M CA -0.758 54.429 55.300 -0.189 0.000 0.853 471 M CB 2.126 34.679 32.600 -0.077 0.000 1.748 471 M HN 0.585 nan 8.290 nan 0.000 0.469 472 I N 2.264 122.785 120.570 -0.081 0.000 2.378 472 I HA 0.613 4.783 4.170 -0.000 0.000 0.291 472 I C -0.362 175.782 176.117 0.044 0.000 0.992 472 I CA -0.329 60.968 61.300 -0.006 0.000 1.154 472 I CB 1.737 39.744 38.000 0.011 0.000 1.315 472 I HN 1.058 nan 8.210 nan 0.000 0.448 473 S N 3.022 118.754 115.700 0.054 0.000 2.745 473 S HA 0.370 4.840 4.470 -0.000 0.000 0.306 473 S C 0.364 175.049 174.600 0.141 0.000 1.137 473 S CA -0.854 57.394 58.200 0.080 0.000 0.900 473 S CB 1.680 64.906 63.200 0.044 0.000 1.176 473 S HN 0.602 nan 8.310 nan 0.000 0.520 474 D N 0.357 120.828 120.400 0.118 0.000 2.378 474 D HA -0.025 4.615 4.640 -0.000 0.000 0.222 474 D C 0.829 177.186 176.300 0.094 0.000 0.980 474 D CA 0.735 54.812 54.000 0.128 0.000 0.907 474 D CB -0.016 40.811 40.800 0.044 0.000 0.899 474 D HN 0.507 nan 8.370 nan 0.000 0.527 475 K N 0.390 120.825 120.400 0.058 0.000 2.374 475 K HA 0.274 4.594 4.320 -0.000 0.000 0.196 475 K C 1.006 177.608 176.600 0.003 0.000 1.023 475 K CA 0.094 56.394 56.287 0.022 0.000 1.103 475 K CB 1.159 33.663 32.500 0.007 0.000 0.848 475 K HN 0.121 nan 8.250 nan 0.000 0.528 476 G N 2.354 111.145 108.800 -0.014 0.000 2.549 476 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.404 476 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.404 476 G C -2.966 171.870 174.900 -0.108 0.000 1.292 476 G CA -1.123 43.890 45.100 -0.146 0.000 0.935 476 G HN -0.081 nan 8.290 nan 0.000 0.512 477 P HA 0.373 nan 4.420 nan 0.000 0.271 477 P C -0.893 176.428 177.300 0.036 0.000 1.218 477 P CA 0.551 63.663 63.100 0.019 0.000 0.780 477 P CB 1.322 33.003 31.700 -0.031 0.000 0.901 478 D N 2.335 122.803 120.400 0.114 0.000 2.346 478 D HA 0.293 4.933 4.640 -0.000 0.000 0.255 478 D C -0.104 176.266 176.300 0.116 0.000 1.276 478 D CA -0.445 53.598 54.000 0.071 0.000 0.941 478 D CB -0.127 40.702 40.800 0.048 0.000 1.199 478 D HN 0.161 nan 8.370 nan 0.000 0.537 479 I N 2.771 123.380 120.570 0.065 0.000 2.813 479 I HA 0.057 4.227 4.170 -0.000 0.000 0.287 479 I C 1.237 177.386 176.117 0.054 0.000 1.196 479 I CA 0.411 61.752 61.300 0.069 0.000 1.421 479 I CB 0.748 38.736 38.000 -0.020 0.000 1.365 479 I HN 0.358 nan 8.210 nan 0.000 0.591 480 K N 3.416 123.848 120.400 0.053 0.000 2.041 480 K HA 0.374 4.694 4.320 -0.000 0.000 0.277 480 K C -1.047 175.530 176.600 -0.038 0.000 0.965 480 K CA -0.785 55.502 56.287 -0.000 0.000 1.138 480 K CB 0.512 33.001 32.500 -0.018 0.000 3.194 480 K HN 0.476 nan 8.250 nan 0.000 1.085 481 D N 1.103 121.445 120.400 -0.097 0.000 2.228 481 D HA 0.146 4.786 4.640 -0.000 0.000 0.247 481 D C -0.449 175.715 176.300 -0.228 0.000 0.995 481 D CA -0.313 53.617 54.000 -0.116 0.000 0.903 481 D CB 1.723 42.465 40.800 -0.097 0.000 1.205 481 D HN 0.458 nan 8.370 nan 0.000 0.459 482 S N -0.163 115.460 115.700 -0.128 0.000 2.576 482 S HA 0.104 4.574 4.470 -0.000 0.000 0.272 482 S C 0.278 174.786 174.600 -0.153 0.000 1.352 482 S CA -0.391 57.756 58.200 -0.088 0.000 1.021 482 S CB 0.118 63.350 63.200 0.054 0.000 0.887 482 S HN 0.328 nan 8.310 nan 0.000 0.542 483 F N 1.156 121.194 119.950 0.147 0.000 2.913 483 F HA 0.373 4.900 4.527 -0.000 0.000 0.293 483 F C 2.061 177.942 175.800 0.135 0.000 1.223 483 F CA -0.557 57.575 58.000 0.220 0.000 1.393 483 F CB -0.643 38.605 39.000 0.414 0.000 1.102 483 F HN 0.709 nan 8.300 nan 0.000 0.524 484 R N 2.030 122.623 120.500 0.156 0.000 2.246 484 R HA -0.302 4.038 4.340 -0.000 0.000 0.266 484 R C 1.351 177.688 176.300 0.062 0.000 1.163 484 R CA 2.371 58.527 56.100 0.094 0.000 0.992 484 R CB -0.368 29.952 30.300 0.034 0.000 0.895 484 R HN 0.481 nan 8.270 nan 0.000 0.465 485 N N -0.752 117.936 118.700 -0.019 0.000 2.314 485 N HA -0.004 4.736 4.740 -0.000 0.000 0.200 485 N C -0.233 175.144 175.510 -0.222 0.000 1.135 485 N CA 0.188 53.151 53.050 -0.146 0.000 0.835 485 N CB -0.070 38.263 38.487 -0.256 0.000 0.989 485 N HN 0.115 nan 8.380 nan 0.000 0.478 486 F N 0.316 120.343 119.950 0.128 0.000 2.557 486 F HA 0.455 4.982 4.527 -0.000 0.000 0.336 486 F C 0.569 176.405 175.800 0.061 0.000 1.058 486 F CA -1.104 56.951 58.000 0.092 0.000 0.988 486 F CB 2.031 41.087 39.000 0.094 0.000 1.275 486 F HN -0.143 nan 8.300 nan 0.000 0.488 487 E N -0.132 120.255 120.200 0.312 0.000 2.336 487 E HA 0.460 4.810 4.350 -0.000 0.000 0.267 487 E C -0.671 175.975 176.600 0.077 0.000 0.906 487 E CA -0.664 55.829 56.400 0.154 0.000 0.781 487 E CB 1.506 31.280 29.700 0.124 0.000 1.261 487 E HN 0.556 nan 8.360 nan 0.000 0.436 488 R N 1.297 121.827 120.500 0.049 0.000 3.758 488 R HA -0.247 4.093 4.340 -0.000 0.000 0.299 488 R C 1.104 177.383 176.300 -0.035 0.000 1.182 488 R CA 0.718 56.825 56.100 0.012 0.000 0.809 488 R CB -2.118 28.181 30.300 -0.001 0.000 1.249 488 R HN 0.621 nan 8.270 nan 0.000 0.497 489 I N 0.039 120.589 120.570 -0.033 0.000 2.087 489 I HA -0.401 3.769 4.170 -0.000 0.000 0.240 489 I C 2.553 178.621 176.117 -0.081 0.000 1.054 489 I CA 1.739 62.971 61.300 -0.112 0.000 1.311 489 I CB -0.412 37.557 38.000 -0.052 0.000 1.024 489 I HN 0.201 nan 8.210 nan 0.000 0.402 490 I N 1.234 121.795 120.570 -0.014 0.000 2.074 490 I HA -0.416 3.754 4.170 -0.000 0.000 0.238 490 I C 2.987 179.076 176.117 -0.048 0.000 1.037 490 I CA 2.489 63.788 61.300 -0.002 0.000 1.301 490 I CB -1.270 36.756 38.000 0.043 0.000 1.016 490 I HN 0.480 nan 8.210 nan 0.000 0.400 491 S N -0.023 115.647 115.700 -0.051 0.000 2.389 491 S HA -0.193 4.277 4.470 -0.000 0.000 0.231 491 S C 1.856 176.396 174.600 -0.101 0.000 1.052 491 S CA 2.611 60.759 58.200 -0.086 0.000 1.053 491 S CB -0.575 62.592 63.200 -0.054 0.000 0.886 491 S HN 0.794 nan 8.310 nan 0.000 0.456 492 G N -0.248 108.494 108.800 -0.097 0.000 2.491 492 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.203 492 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.203 492 G C 0.303 175.128 174.900 -0.125 0.000 1.052 492 G CA 0.069 45.114 45.100 -0.092 0.000 0.675 492 G HN 0.828 nan 8.290 nan 0.000 0.504 493 S N 3.969 119.601 115.700 -0.113 0.000 2.835 493 S HA 0.567 5.037 4.470 -0.000 0.000 0.286 493 S C -1.881 172.630 174.600 -0.149 0.000 1.194 493 S CA -0.663 57.464 58.200 -0.121 0.000 1.031 493 S CB 1.543 64.697 63.200 -0.076 0.000 1.216 493 S HN 0.395 nan 8.310 nan 0.000 0.502 494 P HA 0.265 nan 4.420 nan 0.000 0.280 494 P C -0.497 176.710 177.300 -0.155 0.000 1.278 494 P CA -0.215 62.702 63.100 -0.306 0.000 0.787 494 P CB 0.477 31.713 31.700 -0.773 0.000 1.163 495 T N -0.897 113.658 114.554 0.002 0.000 3.578 495 T HA 0.263 4.613 4.350 -0.000 0.000 0.343 495 T C -0.777 174.160 174.700 0.395 0.000 1.126 495 T CA -0.692 61.495 62.100 0.146 0.000 1.092 495 T CB 0.964 69.885 68.868 0.089 0.000 1.160 495 T HN 0.318 nan 8.240 nan 0.000 0.469 496 R N 2.244 123.027 120.500 0.471 0.000 2.490 496 R HA 0.381 4.721 4.340 -0.000 0.000 0.280 496 R C 1.254 177.625 176.300 0.118 0.000 1.077 496 R CA -0.396 55.886 56.100 0.302 0.000 1.065 496 R CB 0.316 30.726 30.300 0.183 0.000 1.003 496 R HN 0.651 nan 8.270 nan 0.000 0.470 497 I N 0.423 121.013 120.570 0.034 0.000 2.480 497 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 497 I C 1.064 177.185 176.117 0.007 0.000 1.124 497 I CA 0.754 62.070 61.300 0.027 0.000 1.444 497 I CB -0.856 37.154 38.000 0.017 0.000 1.098 497 I HN 0.874 nan 8.210 nan 0.000 0.428 498 T N -0.939 113.601 114.554 -0.023 0.000 3.866 498 T HA -0.240 4.110 4.350 -0.000 0.000 0.344 498 T C 0.404 175.099 174.700 -0.008 0.000 0.760 498 T CA 0.520 62.608 62.100 -0.020 0.000 1.852 498 T CB -3.343 65.524 68.868 -0.003 0.000 1.891 498 T HN 0.370 nan 8.240 nan 0.000 0.783 499 V N 1.752 121.662 119.914 -0.006 0.000 2.717 499 V HA -0.045 4.075 4.120 -0.000 0.000 0.302 499 V C 1.101 177.194 176.094 -0.001 0.000 1.097 499 V CA 0.799 63.100 62.300 0.001 0.000 1.262 499 V CB 0.000 31.824 31.823 0.002 0.000 0.846 499 V HN 0.627 nan 8.190 nan 0.000 0.485 500 D N 6.508 126.910 120.400 0.002 0.000 2.826 500 D HA 0.210 4.850 4.640 -0.000 0.000 0.229 500 D C 0.824 177.124 176.300 0.001 0.000 1.091 500 D CA 0.543 54.544 54.000 0.002 0.000 1.061 500 D CB -0.176 40.627 40.800 0.004 0.000 1.155 500 D HN 0.822 nan 8.370 nan 0.000 0.450 501 E N 0.330 120.529 120.200 -0.001 0.000 3.213 501 E HA -0.368 3.982 4.350 -0.000 0.000 0.374 501 E C 0.852 177.454 176.600 0.002 0.000 1.500 501 E CA 1.458 57.858 56.400 -0.000 0.000 1.497 501 E CB -0.671 29.029 29.700 -0.000 0.000 1.692 501 E HN 0.479 nan 8.360 nan 0.000 0.494 502 K N 0.759 121.160 120.400 0.003 0.000 2.447 502 K HA 0.383 4.703 4.320 -0.000 0.000 0.205 502 K C 0.309 176.911 176.600 0.004 0.000 1.059 502 K CA 0.603 56.893 56.287 0.004 0.000 1.065 502 K CB 1.682 34.184 32.500 0.004 0.000 0.885 502 K HN 0.420 nan 8.250 nan 0.000 0.545 503 S N 0.758 116.460 115.700 0.003 0.000 3.672 503 S HA -0.155 4.315 4.470 -0.000 0.000 0.319 503 S C -0.825 173.777 174.600 0.003 0.000 1.151 503 S CA 1.462 59.664 58.200 0.003 0.000 0.911 503 S CB -1.077 62.126 63.200 0.004 0.000 0.939 503 S HN 0.790 nan 8.310 nan 0.000 0.524 504 E N 0.000 120.201 120.200 0.002 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.401 56.400 0.002 0.000 0.976 504 E CB 0.000 29.701 29.700 0.002 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440