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 2gbl_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 SITDSHIXXI 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 0.000 176.747 176.600 0.246 0.000 1.382 14 E CA 0.000 56.470 56.400 0.116 0.000 0.976 14 E CB 0.000 29.745 29.700 0.075 0.000 0.812 15 H N 2.349 121.425 119.070 0.009 0.000 2.727 15 H HA 0.308 4.864 4.556 -0.000 0.000 0.312 15 H C 0.121 175.455 175.328 0.011 0.000 1.204 15 H CA -0.166 55.889 56.048 0.010 0.000 1.122 15 H CB 0.641 30.409 29.762 0.009 0.000 1.453 15 H HN 0.281 nan 8.280 nan 0.000 0.514 16 Q N 0.184 120.055 119.800 0.118 0.000 2.495 16 Q HA 0.614 4.954 4.340 -0.000 0.000 0.283 16 Q C -0.128 175.905 176.000 0.054 0.000 1.097 16 Q CA -1.079 54.766 55.803 0.070 0.000 0.836 16 Q CB 2.089 30.855 28.738 0.047 0.000 1.426 16 Q HN 0.362 nan 8.270 nan 0.000 0.459 17 A N 0.777 123.623 122.820 0.043 0.000 2.377 17 A HA 0.099 4.419 4.320 -0.000 0.000 0.274 17 A C 0.125 177.734 177.584 0.041 0.000 1.178 17 A CA -0.071 51.990 52.037 0.040 0.000 0.836 17 A CB -0.117 18.905 19.000 0.037 0.000 1.111 17 A HN 0.529 nan 8.150 nan 0.000 0.517 18 I N -0.354 120.243 120.570 0.044 0.000 2.696 18 I HA 0.358 4.528 4.170 -0.000 0.000 0.284 18 I C 0.834 176.976 176.117 0.042 0.000 1.129 18 I CA 0.416 61.743 61.300 0.045 0.000 1.410 18 I CB 0.381 38.412 38.000 0.051 0.000 1.399 18 I HN 0.644 nan 8.210 nan 0.000 0.579 19 A N 6.682 129.525 122.820 0.037 0.000 2.342 19 A HA 0.672 4.992 4.320 -0.000 0.000 0.323 19 A C -0.257 177.347 177.584 0.034 0.000 1.125 19 A CA -0.726 51.329 52.037 0.030 0.000 0.785 19 A CB 1.087 20.098 19.000 0.018 0.000 1.221 19 A HN 0.730 nan 8.150 nan 0.000 0.463 20 K N 0.909 121.330 120.400 0.034 0.000 2.238 20 K HA 0.656 4.976 4.320 -0.000 0.000 0.239 20 K C -0.597 176.013 176.600 0.017 0.000 0.987 20 K CA -0.474 55.841 56.287 0.047 0.000 0.857 20 K CB 2.163 34.708 32.500 0.074 0.000 1.154 20 K HN 0.779 nan 8.250 nan 0.000 0.439 21 M N 1.781 121.402 119.600 0.034 0.000 2.227 21 M HA 0.357 4.837 4.480 -0.000 0.000 0.335 21 M C -0.977 175.344 176.300 0.035 0.000 1.053 21 M CA -0.477 54.808 55.300 -0.025 0.000 0.973 21 M CB 1.125 33.735 32.600 0.016 0.000 1.623 21 M HN 0.437 nan 8.290 nan 0.000 0.434 22 R N 1.826 122.299 120.500 -0.044 0.000 2.490 22 R HA 0.211 4.550 4.340 -0.000 0.000 0.280 22 R C 1.139 177.540 176.300 0.169 0.000 1.077 22 R CA 0.356 56.515 56.100 0.098 0.000 1.065 22 R CB 0.664 31.045 30.300 0.135 0.000 1.003 22 R HN 0.834 nan 8.270 nan 0.000 0.470 23 T N -0.836 113.848 114.554 0.217 0.000 3.044 23 T HA 0.016 4.366 4.350 -0.000 0.000 0.255 23 T C 1.128 175.887 174.700 0.099 0.000 1.073 23 T CA -0.041 62.161 62.100 0.170 0.000 1.125 23 T CB 0.291 69.186 68.868 0.044 0.000 0.908 23 T HN 0.521 nan 8.240 nan 0.000 0.480 24 M N -0.635 119.048 119.600 0.138 0.000 2.901 24 M HA -0.121 4.358 4.480 -0.000 0.000 0.182 24 M C -0.162 176.162 176.300 0.039 0.000 0.641 24 M CA 0.267 55.624 55.300 0.094 0.000 0.689 24 M CB -2.561 30.080 32.600 0.068 0.000 2.484 24 M HN 0.448 nan 8.290 nan 0.000 0.302 25 I N 1.480 122.053 120.570 0.006 0.000 2.452 25 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 25 I C 1.355 177.493 176.117 0.036 0.000 1.079 25 I CA 0.070 61.343 61.300 -0.045 0.000 1.387 25 I CB 0.469 38.336 38.000 -0.221 0.000 1.404 25 I HN 0.055 nan 8.210 nan 0.000 0.522 26 E N 5.790 125.995 120.200 0.008 0.000 2.752 26 E HA -0.108 4.242 4.350 -0.000 0.000 0.241 26 E C 1.118 177.702 176.600 -0.026 0.000 1.016 26 E CA 1.238 57.632 56.400 -0.011 0.000 0.952 26 E CB 0.229 29.899 29.700 -0.048 0.000 0.921 26 E HN 0.973 nan 8.360 nan 0.000 0.515 27 G N 4.767 113.562 108.800 -0.009 0.000 2.317 27 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.227 27 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.227 27 G C 0.694 175.581 174.900 -0.023 0.000 1.042 27 G CA 0.253 45.331 45.100 -0.037 0.000 0.623 27 G HN 0.597 nan 8.290 nan 0.000 0.509 28 F N 2.426 122.346 119.950 -0.050 0.000 2.171 28 F HA 0.048 4.575 4.527 -0.000 0.000 0.300 28 F C 2.211 178.014 175.800 0.006 0.000 1.090 28 F CA 2.394 60.385 58.000 -0.015 0.000 1.293 28 F CB 0.047 39.054 39.000 0.012 0.000 1.013 28 F HN 0.211 nan 8.300 nan 0.000 0.486 29 D N -0.066 120.386 120.400 0.087 0.000 2.269 29 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 29 D C 1.514 177.796 176.300 -0.030 0.000 0.963 29 D CA 1.294 55.327 54.000 0.056 0.000 0.864 29 D CB -0.366 40.512 40.800 0.131 0.000 0.936 29 D HN 0.435 nan 8.370 nan 0.000 0.505 30 D N 0.303 120.665 120.400 -0.063 0.000 2.137 30 D HA 0.008 4.648 4.640 -0.000 0.000 0.202 30 D C 2.151 178.416 176.300 -0.058 0.000 0.970 30 D CA 0.376 54.357 54.000 -0.033 0.000 0.837 30 D CB 0.086 40.855 40.800 -0.051 0.000 0.981 30 D HN 0.163 nan 8.370 nan 0.000 0.475 31 I N 0.659 121.062 120.570 -0.278 0.000 2.315 31 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 31 I C 1.753 177.631 176.117 -0.398 0.000 1.117 31 I CA 0.990 62.044 61.300 -0.411 0.000 1.404 31 I CB -0.183 37.475 38.000 -0.569 0.000 1.071 31 I HN 0.021 nan 8.210 nan 0.000 0.419 32 S N -1.236 114.185 115.700 -0.465 0.000 2.671 32 S HA -0.012 4.458 4.470 -0.000 0.000 0.220 32 S C 0.482 175.050 174.600 -0.054 0.000 0.951 32 S CA -0.273 57.732 58.200 -0.325 0.000 0.932 32 S CB -0.487 62.481 63.200 -0.387 0.000 0.777 32 S HN 0.431 nan 8.310 nan 0.000 0.508 33 H N 0.898 119.921 119.070 -0.077 0.000 2.557 33 H HA -0.146 4.410 4.556 -0.000 0.000 0.319 33 H C 1.340 176.666 175.328 -0.004 0.000 1.102 33 H CA 0.950 56.981 56.048 -0.028 0.000 1.126 33 H CB -1.702 28.060 29.762 -0.001 0.000 1.498 33 H HN 0.814 nan 8.280 nan 0.000 0.411 34 G N -2.886 105.981 108.800 0.112 0.000 2.905 34 G HA2 0.310 4.270 3.960 -0.000 0.000 0.196 34 G HA3 0.310 4.270 3.960 -0.000 0.000 0.196 34 G C 0.748 175.715 174.900 0.112 0.000 1.044 34 G CA 0.682 45.836 45.100 0.091 0.000 0.778 34 G HN 1.611 nan 8.290 nan 0.000 0.474 35 G N -0.725 108.159 108.800 0.140 0.000 2.334 35 G HA2 0.378 4.338 3.960 -0.000 0.000 0.315 35 G HA3 0.378 4.338 3.960 -0.000 0.000 0.315 35 G C -0.519 174.529 174.900 0.246 0.000 1.284 35 G CA -0.403 44.849 45.100 0.254 0.000 0.985 35 G HN 1.005 nan 8.290 nan 0.000 0.504 36 L N 0.980 122.367 121.223 0.273 0.000 2.456 36 L HA 0.307 4.647 4.340 -0.000 0.000 0.272 36 L C -1.957 174.983 176.870 0.117 0.000 1.189 36 L CA -1.315 53.630 54.840 0.175 0.000 0.846 36 L CB 0.623 42.736 42.059 0.089 0.000 1.111 36 L HN 0.226 nan 8.230 nan 0.000 0.475 37 P HA 0.119 nan 4.420 nan 0.000 0.271 37 P C -0.374 176.962 177.300 0.061 0.000 1.233 37 P CA -0.149 62.989 63.100 0.064 0.000 0.764 37 P CB 0.459 32.190 31.700 0.051 0.000 0.825 38 I N 2.637 123.240 120.570 0.055 0.000 2.752 38 I HA 0.097 4.267 4.170 -0.000 0.000 0.287 38 I C 1.748 177.893 176.117 0.045 0.000 1.188 38 I CA 1.392 62.723 61.300 0.052 0.000 1.427 38 I CB -0.479 37.538 38.000 0.028 0.000 1.365 38 I HN 0.695 nan 8.210 nan 0.000 0.585 39 G N 4.141 112.972 108.800 0.051 0.000 2.168 39 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.263 39 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.263 39 G C 0.462 175.384 174.900 0.035 0.000 0.977 39 G CA 0.032 45.157 45.100 0.040 0.000 0.659 39 G HN 0.598 nan 8.290 nan 0.000 0.533 40 R N -0.297 120.226 120.500 0.038 0.000 2.923 40 R HA 0.712 5.052 4.340 -0.000 0.000 0.252 40 R C -0.045 176.268 176.300 0.022 0.000 1.130 40 R CA -0.048 56.069 56.100 0.029 0.000 1.043 40 R CB 1.534 31.852 30.300 0.030 0.000 1.205 40 R HN 0.399 nan 8.270 nan 0.000 0.495 41 S N -0.416 115.291 115.700 0.012 0.000 2.501 41 S HA 0.480 4.950 4.470 -0.000 0.000 0.301 41 S C -0.500 174.086 174.600 -0.023 0.000 1.096 41 S CA -0.731 57.467 58.200 -0.004 0.000 1.063 41 S CB 2.069 65.272 63.200 0.005 0.000 1.042 41 S HN 0.411 nan 8.310 nan 0.000 0.494 42 T N 2.962 117.479 114.554 -0.061 0.000 2.797 42 T HA 0.491 4.841 4.350 -0.000 0.000 0.279 42 T C -0.677 173.962 174.700 -0.101 0.000 0.991 42 T CA -0.467 61.582 62.100 -0.085 0.000 0.979 42 T CB 0.946 69.745 68.868 -0.115 0.000 0.943 42 T HN 0.611 nan 8.240 nan 0.000 0.444 43 L N 5.004 126.172 121.223 -0.091 0.000 2.292 43 L HA 0.686 5.026 4.340 -0.000 0.000 0.284 43 L C -0.986 175.795 176.870 -0.147 0.000 1.065 43 L CA -0.210 54.577 54.840 -0.088 0.000 0.806 43 L CB 1.011 43.037 42.059 -0.054 0.000 1.175 43 L HN 0.418 nan 8.230 nan 0.000 0.431 44 V N 4.874 124.688 119.914 -0.166 0.000 2.380 44 V HA 0.583 4.703 4.120 -0.000 0.000 0.286 44 V C -0.315 175.690 176.094 -0.147 0.000 1.015 44 V CA -0.182 61.971 62.300 -0.245 0.000 0.834 44 V CB 1.266 32.837 31.823 -0.419 0.000 1.009 44 V HN 0.944 nan 8.190 nan 0.000 0.428 45 S N 3.308 118.940 115.700 -0.114 0.000 2.638 45 S HA 1.038 5.508 4.470 -0.000 0.000 0.302 45 S C -0.203 174.365 174.600 -0.054 0.000 1.096 45 S CA -0.144 58.018 58.200 -0.062 0.000 0.953 45 S CB 2.628 65.806 63.200 -0.037 0.000 1.107 45 S HN 1.350 nan 8.310 nan 0.000 0.503 46 G N 0.329 109.111 108.800 -0.029 0.000 2.441 46 G HA2 0.532 4.492 3.960 -0.000 0.000 0.294 46 G HA3 0.532 4.492 3.960 -0.000 0.000 0.294 46 G C -0.483 174.408 174.900 -0.014 0.000 1.393 46 G CA -0.090 44.996 45.100 -0.023 0.000 0.796 46 G HN 1.244 nan 8.290 nan 0.000 0.494 47 T N -1.788 112.755 114.554 -0.019 0.000 2.754 47 T HA 0.563 4.913 4.350 -0.000 0.000 0.286 47 T C 1.034 175.738 174.700 0.007 0.000 0.997 47 T CA 0.535 62.627 62.100 -0.014 0.000 0.982 47 T CB 1.231 70.081 68.868 -0.030 0.000 1.027 47 T HN 1.439 nan 8.240 nan 0.000 0.529 48 S N -0.043 115.662 115.700 0.008 0.000 2.575 48 S HA 0.381 4.851 4.470 -0.000 0.000 0.295 48 S C 1.585 176.201 174.600 0.027 0.000 1.267 48 S CA 0.706 58.918 58.200 0.021 0.000 1.074 48 S CB -1.251 61.958 63.200 0.015 0.000 0.829 48 S HN 2.139 nan 8.310 nan 0.000 0.497 49 G N 3.441 112.268 108.800 0.045 0.000 2.143 49 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 49 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 49 G C 0.549 175.492 174.900 0.071 0.000 0.991 49 G CA 0.677 45.811 45.100 0.056 0.000 0.689 49 G HN 1.196 nan 8.290 nan 0.000 0.522 50 T N -2.376 112.227 114.554 0.082 0.000 3.100 50 T HA 0.457 4.807 4.350 -0.000 0.000 0.253 50 T C 2.238 177.072 174.700 0.223 0.000 1.118 50 T CA 1.553 63.726 62.100 0.121 0.000 1.058 50 T CB 0.613 69.540 68.868 0.098 0.000 0.953 50 T HN 2.057 nan 8.240 nan 0.000 0.515 51 G N 1.634 110.545 108.800 0.184 0.000 2.391 51 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.204 51 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.204 51 G C 0.898 175.895 174.900 0.162 0.000 1.012 51 G CA 0.149 45.378 45.100 0.215 0.000 0.651 51 G HN 0.440 nan 8.290 nan 0.000 0.494 52 K N 0.034 120.501 120.400 0.112 0.000 2.063 52 K HA -0.336 3.984 4.320 -0.000 0.000 0.225 52 K C 2.415 179.106 176.600 0.153 0.000 0.954 52 K CA 3.081 59.415 56.287 0.079 0.000 0.988 52 K CB -1.180 31.355 32.500 0.058 0.000 0.842 52 K HN 0.465 nan 8.250 nan 0.000 0.475 53 T N 1.587 116.238 114.554 0.161 0.000 2.624 53 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 53 T C 1.732 176.540 174.700 0.181 0.000 1.041 53 T CA 1.721 63.944 62.100 0.205 0.000 1.159 53 T CB -0.409 68.573 68.868 0.190 0.000 0.863 53 T HN 0.192 nan 8.240 nan 0.000 0.434 54 L N 0.596 121.902 121.223 0.138 0.000 2.013 54 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 54 L C 2.069 178.975 176.870 0.060 0.000 1.073 54 L CA 1.726 56.596 54.840 0.050 0.000 0.753 54 L CB -1.081 40.968 42.059 -0.017 0.000 0.890 54 L HN 0.294 nan 8.230 nan 0.000 0.432 55 F N 0.097 120.015 119.950 -0.053 0.000 2.095 55 F HA -0.307 4.220 4.527 -0.000 0.000 0.298 55 F C 2.787 178.567 175.800 -0.033 0.000 1.104 55 F CA 2.189 60.128 58.000 -0.101 0.000 1.232 55 F CB -0.440 38.462 39.000 -0.164 0.000 0.987 55 F HN 0.353 nan 8.300 nan 0.000 0.475 56 S N 0.207 116.115 115.700 0.346 0.000 2.402 56 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 56 S C 1.977 176.738 174.600 0.270 0.000 1.021 56 S CA 1.221 59.632 58.200 0.351 0.000 0.974 56 S CB -0.782 62.661 63.200 0.405 0.000 0.800 56 S HN 0.329 nan 8.310 nan 0.000 0.484 57 I N 2.048 122.666 120.570 0.079 0.000 2.277 57 I HA -0.045 4.125 4.170 -0.000 0.000 0.243 57 I C 2.861 178.879 176.117 -0.166 0.000 1.094 57 I CA 1.267 62.486 61.300 -0.136 0.000 1.393 57 I CB -1.583 36.304 38.000 -0.190 0.000 1.078 57 I HN 0.446 nan 8.210 nan 0.000 0.417 58 Q N -0.071 119.626 119.800 -0.171 0.000 2.297 58 Q HA -0.250 4.090 4.340 -0.000 0.000 0.208 58 Q C 2.199 178.073 176.000 -0.210 0.000 0.981 58 Q CA 1.441 57.068 55.803 -0.293 0.000 0.876 58 Q CB -0.178 28.437 28.738 -0.204 0.000 0.921 58 Q HN 0.417 nan 8.270 nan 0.000 0.446 59 F N 0.056 119.818 119.950 -0.314 0.000 2.206 59 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 59 F C 1.415 177.131 175.800 -0.141 0.000 1.090 59 F CA 1.092 58.928 58.000 -0.273 0.000 1.323 59 F CB -0.084 38.771 39.000 -0.242 0.000 1.028 59 F HN 0.017 nan 8.300 nan 0.000 0.492 60 L N -1.136 119.950 121.223 -0.229 0.000 2.023 60 L HA -0.195 4.145 4.340 -0.000 0.000 0.205 60 L C 2.392 179.101 176.870 -0.269 0.000 1.073 60 L CA 1.642 56.312 54.840 -0.284 0.000 0.745 60 L CB -1.229 40.785 42.059 -0.076 0.000 0.900 60 L HN 0.197 nan 8.230 nan 0.000 0.435 61 Y N 1.830 121.877 120.300 -0.422 0.000 2.030 61 Y HA -0.367 4.183 4.550 -0.000 0.000 0.274 61 Y C 2.497 178.147 175.900 -0.418 0.000 1.153 61 Y CA 2.278 60.074 58.100 -0.507 0.000 1.115 61 Y CB -0.363 37.569 38.460 -0.879 0.000 0.969 61 Y HN 0.207 nan 8.280 nan 0.000 0.488 62 N N 0.140 118.729 118.700 -0.186 0.000 2.132 62 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 62 N C 1.928 177.304 175.510 -0.222 0.000 1.015 62 N CA 1.457 54.390 53.050 -0.195 0.000 0.864 62 N CB -1.049 37.376 38.487 -0.103 0.000 1.006 62 N HN 0.604 nan 8.380 nan 0.000 0.430 63 G N 0.759 109.420 108.800 -0.232 0.000 2.459 63 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 63 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 63 G C 1.568 176.392 174.900 -0.127 0.000 1.183 63 G CA 0.649 45.670 45.100 -0.131 0.000 0.776 63 G HN 0.263 nan 8.290 nan 0.000 0.552 64 I N 0.870 121.289 120.570 -0.251 0.000 2.072 64 I HA -0.142 4.028 4.170 -0.000 0.000 0.235 64 I C 2.352 178.285 176.117 -0.306 0.000 1.058 64 I CA 0.723 61.870 61.300 -0.256 0.000 1.320 64 I CB -0.221 37.593 38.000 -0.310 0.000 1.047 64 I HN 0.034 nan 8.210 nan 0.000 0.397 65 I N 0.563 120.847 120.570 -0.476 0.000 2.953 65 I HA -0.208 3.962 4.170 -0.000 0.000 0.271 65 I C 1.783 177.670 176.117 -0.384 0.000 1.286 65 I CA 1.507 62.538 61.300 -0.447 0.000 1.449 65 I CB -1.319 36.316 38.000 -0.608 0.000 1.086 65 I HN 0.432 nan 8.210 nan 0.000 0.483 66 E N -1.659 118.266 120.200 -0.458 0.000 2.603 66 E HA 0.174 4.524 4.350 -0.000 0.000 0.224 66 E C 0.838 176.865 176.600 -0.955 0.000 0.896 66 E CA 0.261 56.201 56.400 -0.766 0.000 1.224 66 E CB 0.667 29.695 29.700 -1.119 0.000 1.206 66 E HN 0.439 nan 8.360 nan 0.000 0.576 67 F N -0.024 119.853 119.950 -0.122 0.000 2.974 67 F HA 0.172 4.699 4.527 -0.000 0.000 0.357 67 F C 0.015 175.758 175.800 -0.095 0.000 1.114 67 F CA -0.459 57.484 58.000 -0.095 0.000 1.099 67 F CB 0.786 39.731 39.000 -0.092 0.000 1.205 67 F HN -0.195 nan 8.300 nan 0.000 0.535 68 D N 2.536 122.939 120.400 0.005 0.000 2.689 68 D HA -0.219 4.421 4.640 -0.000 0.000 0.237 68 D C -0.521 175.777 176.300 -0.004 0.000 1.148 68 D CA 0.693 54.675 54.000 -0.029 0.000 0.656 68 D CB -0.551 40.232 40.800 -0.028 0.000 1.050 68 D HN 0.510 nan 8.370 nan 0.000 0.426 69 E N 0.649 120.848 120.200 -0.002 0.000 2.092 69 E HA 0.385 4.735 4.350 -0.000 0.000 0.271 69 E C -2.230 174.337 176.600 -0.055 0.000 0.919 69 E CA -1.966 54.421 56.400 -0.021 0.000 0.760 69 E CB 1.268 30.950 29.700 -0.030 0.000 1.106 69 E HN 0.229 nan 8.360 nan 0.000 0.408 70 P HA 0.149 nan 4.420 nan 0.000 0.273 70 P C -0.245 177.032 177.300 -0.038 0.000 1.250 70 P CA -0.369 62.718 63.100 -0.023 0.000 0.793 70 P CB 0.740 32.466 31.700 0.043 0.000 1.011 71 G N -1.019 107.757 108.800 -0.040 0.000 2.667 71 G HA2 0.544 4.504 3.960 -0.000 0.000 0.298 71 G HA3 0.544 4.504 3.960 -0.000 0.000 0.298 71 G C -1.770 173.129 174.900 -0.001 0.000 1.377 71 G CA -0.525 44.556 45.100 -0.031 0.000 0.964 71 G HN 0.333 nan 8.290 nan 0.000 0.493 72 V N 1.516 121.453 119.914 0.038 0.000 2.384 72 V HA 0.518 4.637 4.120 -0.000 0.000 0.287 72 V C -1.115 175.014 176.094 0.058 0.000 1.020 72 V CA -0.641 61.682 62.300 0.040 0.000 0.850 72 V CB 1.315 33.185 31.823 0.078 0.000 0.987 72 V HN 0.631 nan 8.190 nan 0.000 0.436 73 F N 5.797 125.656 119.950 -0.151 0.000 2.375 73 F HA 0.635 5.162 4.527 -0.000 0.000 0.361 73 F C -0.219 175.452 175.800 -0.215 0.000 1.117 73 F CA -0.635 57.284 58.000 -0.135 0.000 1.037 73 F CB 1.419 40.346 39.000 -0.122 0.000 1.192 73 F HN 0.270 nan 8.300 nan 0.000 0.452 74 V N 5.286 124.784 119.914 -0.694 0.000 2.364 74 V HA 0.305 4.425 4.120 -0.000 0.000 0.272 74 V C 0.201 175.777 176.094 -0.864 0.000 1.036 74 V CA -0.425 61.476 62.300 -0.664 0.000 0.880 74 V CB 1.051 32.572 31.823 -0.504 0.000 0.991 74 V HN 0.788 nan 8.190 nan 0.000 0.460 75 T N 4.328 118.480 114.554 -0.670 0.000 2.794 75 T HA 0.559 4.909 4.350 -0.000 0.000 0.280 75 T C 0.286 174.718 174.700 -0.447 0.000 0.987 75 T CA -0.205 61.629 62.100 -0.443 0.000 0.993 75 T CB 0.529 69.340 68.868 -0.095 0.000 0.939 75 T HN 0.415 nan 8.240 nan 0.000 0.449 76 F N 2.147 122.022 119.950 -0.124 0.000 2.717 76 F HA 0.389 4.916 4.527 -0.000 0.000 0.295 76 F C 2.166 177.928 175.800 -0.063 0.000 1.117 76 F CA -0.192 57.747 58.000 -0.101 0.000 1.361 76 F CB 0.672 39.596 39.000 -0.127 0.000 1.112 76 F HN 0.565 nan 8.300 nan 0.000 0.594 77 E N -0.427 119.850 120.200 0.129 0.000 2.629 77 E HA 0.084 4.434 4.350 -0.000 0.000 0.197 77 E C 0.292 176.929 176.600 0.062 0.000 0.955 77 E CA -0.090 56.360 56.400 0.084 0.000 1.191 77 E CB 0.373 30.120 29.700 0.077 0.000 1.175 77 E HN 0.148 nan 8.360 nan 0.000 0.501 78 E N 1.021 121.267 120.200 0.077 0.000 2.408 78 E HA 0.064 4.414 4.350 -0.000 0.000 0.259 78 E C -0.659 175.975 176.600 0.057 0.000 1.110 78 E CA 0.221 56.667 56.400 0.076 0.000 0.929 78 E CB 1.114 30.880 29.700 0.110 0.000 0.971 78 E HN -0.063 nan 8.360 nan 0.000 0.438 79 T N 2.314 116.896 114.554 0.047 0.000 2.882 79 T HA 0.126 4.476 4.350 -0.000 0.000 0.287 79 T C -1.820 172.901 174.700 0.035 0.000 0.992 79 T CA -1.911 60.207 62.100 0.030 0.000 1.076 79 T CB 1.051 69.933 68.868 0.024 0.000 0.961 79 T HN 0.236 nan 8.240 nan 0.000 0.490 80 P HA -0.158 nan 4.420 nan 0.000 0.216 80 P C 1.595 178.905 177.300 0.016 0.000 1.150 80 P CA 0.935 64.045 63.100 0.016 0.000 0.843 80 P CB 0.216 31.910 31.700 -0.010 0.000 0.787 81 Q N -0.296 119.514 119.800 0.017 0.000 2.050 81 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 81 Q C 1.664 177.676 176.000 0.019 0.000 0.980 81 Q CA 1.557 57.370 55.803 0.018 0.000 0.840 81 Q CB -1.669 27.079 28.738 0.017 0.000 0.898 81 Q HN 0.327 nan 8.270 nan 0.000 0.424 82 D N 0.785 121.199 120.400 0.024 0.000 2.084 82 D HA -0.071 4.569 4.640 -0.000 0.000 0.194 82 D C 2.195 178.514 176.300 0.032 0.000 0.990 82 D CA 0.757 54.773 54.000 0.027 0.000 0.826 82 D CB -0.237 40.584 40.800 0.034 0.000 0.971 82 D HN 0.200 nan 8.370 nan 0.000 0.453 83 I N 0.897 121.488 120.570 0.036 0.000 2.248 83 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 83 I C 2.382 178.497 176.117 -0.003 0.000 1.107 83 I CA 0.877 62.183 61.300 0.010 0.000 1.373 83 I CB -0.163 37.824 38.000 -0.022 0.000 1.055 83 I HN 0.000 nan 8.210 nan 0.000 0.418 84 I N -0.054 120.520 120.570 0.007 0.000 2.233 84 I HA -0.248 3.922 4.170 -0.000 0.000 0.243 84 I C 2.524 178.664 176.117 0.039 0.000 1.093 84 I CA 0.995 62.309 61.300 0.025 0.000 1.380 84 I CB -0.311 37.703 38.000 0.024 0.000 1.067 84 I HN 0.106 nan 8.210 nan 0.000 0.413 85 K N 1.544 121.957 120.400 0.022 0.000 2.063 85 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 85 K C 1.791 178.386 176.600 -0.009 0.000 1.048 85 K CA 1.790 58.081 56.287 0.006 0.000 0.928 85 K CB -0.280 32.221 32.500 0.002 0.000 0.713 85 K HN 0.203 nan 8.250 nan 0.000 0.442 86 N N 0.341 119.047 118.700 0.010 0.000 2.142 86 N HA -0.085 4.654 4.740 -0.000 0.000 0.186 86 N C 1.548 177.072 175.510 0.024 0.000 1.023 86 N CA 1.453 54.507 53.050 0.007 0.000 0.852 86 N CB -0.543 37.978 38.487 0.058 0.000 0.998 86 N HN 0.341 nan 8.380 nan 0.000 0.424 87 A N 1.266 124.167 122.820 0.134 0.000 2.178 87 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 87 A C 2.100 179.723 177.584 0.065 0.000 1.157 87 A CA 0.791 53.017 52.037 0.316 0.000 0.689 87 A CB -0.382 18.898 19.000 0.466 0.000 0.787 87 A HN 0.229 nan 8.150 nan 0.000 0.465 88 R N -0.746 119.731 120.500 -0.038 0.000 2.189 88 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 88 R C 2.354 178.456 176.300 -0.329 0.000 1.092 88 R CA 1.059 57.088 56.100 -0.117 0.000 0.989 88 R CB -0.316 29.941 30.300 -0.072 0.000 0.876 88 R HN 0.524 nan 8.270 nan 0.000 0.457 89 S N 0.235 115.633 115.700 -0.503 0.000 2.402 89 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 89 S C 0.994 174.879 174.600 -1.191 0.000 1.030 89 S CA 1.219 58.908 58.200 -0.851 0.000 1.003 89 S CB -0.032 62.504 63.200 -1.107 0.000 0.813 89 S HN 0.307 nan 8.310 nan 0.000 0.477 90 F N 0.738 120.263 119.950 -0.708 0.000 2.639 90 F HA 0.418 4.945 4.527 -0.000 0.000 0.302 90 F C 1.450 176.694 175.800 -0.927 0.000 1.097 90 F CA -0.016 57.331 58.000 -1.088 0.000 1.294 90 F CB 0.017 37.798 39.000 -2.031 0.000 1.027 90 F HN 0.196 nan 8.300 nan 0.000 0.550 91 G N 0.950 109.471 108.800 -0.466 0.000 2.333 91 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.296 91 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.296 91 G C -0.837 174.125 174.900 0.103 0.000 1.059 91 G CA 0.042 45.055 45.100 -0.144 0.000 1.050 91 G HN 0.497 nan 8.290 nan 0.000 0.508 92 W N -0.293 120.986 121.300 -0.034 0.000 3.132 92 W HA 0.642 5.302 4.660 -0.000 0.000 0.337 92 W C -1.017 175.524 176.519 0.037 0.000 1.082 92 W CA -3.247 54.082 57.345 -0.026 0.000 1.242 92 W CB 0.644 29.845 29.460 -0.432 0.000 1.354 92 W HN 0.083 nan 8.180 nan 0.000 0.461 93 D N 3.719 124.322 120.400 0.338 0.000 2.402 93 D HA 0.163 4.803 4.640 -0.000 0.000 0.235 93 D C 0.797 177.202 176.300 0.176 0.000 1.226 93 D CA 0.097 54.222 54.000 0.208 0.000 0.918 93 D CB 0.782 41.669 40.800 0.145 0.000 1.043 93 D HN 0.583 nan 8.370 nan 0.000 0.506 94 L N 2.990 124.297 121.223 0.141 0.000 2.131 94 L HA -0.047 4.293 4.340 -0.000 0.000 0.206 94 L C 2.467 179.368 176.870 0.053 0.000 1.087 94 L CA 0.782 55.668 54.840 0.078 0.000 0.767 94 L CB -0.487 41.591 42.059 0.032 0.000 0.917 94 L HN 0.411 nan 8.230 nan 0.000 0.441 95 A N 0.859 123.713 122.820 0.057 0.000 1.940 95 A HA -0.332 3.988 4.320 -0.000 0.000 0.221 95 A C 2.402 180.015 177.584 0.049 0.000 1.190 95 A CA 2.520 54.586 52.037 0.048 0.000 0.647 95 A CB -0.585 18.443 19.000 0.047 0.000 0.821 95 A HN 0.398 nan 8.150 nan 0.000 0.457 96 K N -0.350 120.082 120.400 0.053 0.000 2.026 96 K HA -0.072 4.248 4.320 -0.000 0.000 0.208 96 K C 1.878 178.497 176.600 0.032 0.000 1.048 96 K CA 1.571 57.884 56.287 0.044 0.000 0.929 96 K CB -0.346 32.183 32.500 0.049 0.000 0.713 96 K HN 0.488 nan 8.250 nan 0.000 0.439 97 L N 0.765 122.001 121.223 0.022 0.000 2.191 97 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 97 L C 2.357 179.240 176.870 0.022 0.000 1.103 97 L CA 0.510 55.348 54.840 -0.003 0.000 0.769 97 L CB -0.320 41.713 42.059 -0.043 0.000 0.908 97 L HN 0.066 nan 8.230 nan 0.000 0.438 98 V N -0.124 119.812 119.914 0.037 0.000 2.307 98 V HA -0.289 3.831 4.120 -0.000 0.000 0.245 98 V C 2.101 178.255 176.094 0.100 0.000 1.045 98 V CA 2.001 64.342 62.300 0.069 0.000 1.024 98 V CB -0.376 31.489 31.823 0.070 0.000 0.651 98 V HN 0.379 nan 8.190 nan 0.000 0.449 99 D N 0.315 120.760 120.400 0.075 0.000 2.092 99 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 99 D C 1.984 178.324 176.300 0.067 0.000 0.994 99 D CA 1.348 55.390 54.000 0.070 0.000 0.828 99 D CB -0.143 40.687 40.800 0.050 0.000 0.963 99 D HN 0.562 nan 8.370 nan 0.000 0.450 100 E N -0.443 119.787 120.200 0.051 0.000 2.438 100 E HA 0.161 4.511 4.350 -0.000 0.000 0.192 100 E C 1.066 177.708 176.600 0.070 0.000 1.110 100 E CA 0.313 56.737 56.400 0.041 0.000 0.893 100 E CB -0.118 29.591 29.700 0.015 0.000 0.990 100 E HN 0.319 nan 8.360 nan 0.000 0.490 101 G N 2.244 111.120 108.800 0.128 0.000 2.296 101 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.282 101 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.282 101 G C 0.990 176.028 174.900 0.231 0.000 1.014 101 G CA 0.651 45.902 45.100 0.252 0.000 0.812 101 G HN 0.139 nan 8.290 nan 0.000 0.508 102 K N -1.517 118.941 120.400 0.097 0.000 2.284 102 K HA 0.289 4.609 4.320 -0.000 0.000 0.198 102 K C 0.861 177.459 176.600 -0.004 0.000 1.048 102 K CA 0.351 56.660 56.287 0.035 0.000 0.987 102 K CB 0.305 32.785 32.500 -0.033 0.000 0.800 102 K HN 0.557 nan 8.250 nan 0.000 0.486 103 L N 0.197 121.409 121.223 -0.019 0.000 2.410 103 L HA 0.489 4.829 4.340 -0.000 0.000 0.270 103 L C -1.668 175.163 176.870 -0.064 0.000 0.983 103 L CA -0.857 53.950 54.840 -0.055 0.000 0.822 103 L CB 1.602 43.627 42.059 -0.057 0.000 1.285 103 L HN -0.085 nan 8.230 nan 0.000 0.409 104 F N 6.264 126.024 119.950 -0.317 0.000 2.539 104 F HA 0.605 5.132 4.527 -0.000 0.000 0.328 104 F C -1.133 174.573 175.800 -0.158 0.000 1.148 104 F CA -1.056 56.709 58.000 -0.391 0.000 0.940 104 F CB 1.111 39.555 39.000 -0.926 0.000 1.194 104 F HN 0.358 nan 8.300 nan 0.000 0.438 105 I N 7.660 127.822 120.570 -0.680 0.000 2.301 105 I HA 0.146 4.316 4.170 -0.000 0.000 0.292 105 I C -0.670 174.816 176.117 -1.053 0.000 1.046 105 I CA -0.830 60.141 61.300 -0.547 0.000 1.282 105 I CB 1.092 38.972 38.000 -0.200 0.000 1.409 105 I HN 0.442 nan 8.210 nan 0.000 0.484 106 L N 7.462 128.116 121.223 -0.948 0.000 2.328 106 L HA 0.322 4.662 4.340 -0.000 0.000 0.280 106 L C 0.009 176.646 176.870 -0.388 0.000 1.111 106 L CA -0.211 54.198 54.840 -0.718 0.000 0.909 106 L CB 0.143 41.961 42.059 -0.402 0.000 1.277 106 L HN 0.397 nan 8.230 nan 0.000 0.433 107 D N 4.259 124.498 120.400 -0.268 0.000 2.389 107 D HA 0.135 4.775 4.640 -0.000 0.000 0.263 107 D C 0.577 176.765 176.300 -0.186 0.000 1.255 107 D CA 0.730 54.620 54.000 -0.184 0.000 0.914 107 D CB 1.263 42.007 40.800 -0.093 0.000 1.116 107 D HN 0.734 nan 8.370 nan 0.000 0.502 108 A N 3.264 125.912 122.820 -0.287 0.000 2.470 108 A HA 0.175 4.495 4.320 -0.000 0.000 0.251 108 A C 0.942 178.470 177.584 -0.094 0.000 1.245 108 A CA -0.041 51.829 52.037 -0.279 0.000 0.932 108 A CB -0.131 18.428 19.000 -0.736 0.000 1.037 108 A HN 0.537 nan 8.150 nan 0.000 0.522 109 S N 0.672 116.331 115.700 -0.068 0.000 2.589 109 S HA 0.479 4.949 4.470 -0.000 0.000 0.265 109 S C -2.437 172.177 174.600 0.023 0.000 1.342 109 S CA -0.641 57.569 58.200 0.016 0.000 1.005 109 S CB 0.331 63.535 63.200 0.005 0.000 0.909 109 S HN 0.167 nan 8.310 nan 0.000 0.555 110 P HA 0.610 nan 4.420 nan 0.000 0.284 110 P C -1.323 175.982 177.300 0.007 0.000 1.287 110 P CA -0.620 62.489 63.100 0.014 0.000 0.824 110 P CB 0.496 32.198 31.700 0.004 0.000 1.180 111 D N -0.742 119.659 120.400 0.003 0.000 2.342 111 D HA 0.288 4.928 4.640 -0.000 0.000 0.243 111 D C -1.668 174.632 176.300 -0.000 0.000 1.019 111 D CA -1.556 52.446 54.000 0.003 0.000 0.864 111 D CB 0.258 41.060 40.800 0.004 0.000 1.315 111 D HN 0.060 nan 8.370 nan 0.000 0.468 112 P HA -0.180 nan 4.420 nan 0.000 0.220 112 P C -0.045 177.253 177.300 -0.002 0.000 1.146 112 P CA 1.381 64.481 63.100 -0.000 0.000 0.816 112 P CB 0.398 32.099 31.700 0.002 0.000 0.764 113 E N -1.939 118.259 120.200 -0.002 0.000 2.378 113 E HA 0.686 5.035 4.350 -0.000 0.000 0.265 113 E C 0.361 176.957 176.600 -0.006 0.000 0.932 113 E CA -0.404 55.994 56.400 -0.003 0.000 0.795 113 E CB 2.318 32.017 29.700 -0.001 0.000 1.296 113 E HN 0.036 nan 8.360 nan 0.000 0.438 114 G N 0.100 108.896 108.800 -0.008 0.000 2.344 114 G HA2 0.186 4.146 3.960 -0.000 0.000 0.282 114 G HA3 0.186 4.146 3.960 -0.000 0.000 0.282 114 G C -1.132 173.760 174.900 -0.014 0.000 1.281 114 G CA -0.026 45.066 45.100 -0.012 0.000 0.877 114 G HN 0.460 nan 8.290 nan 0.000 0.494 115 Q N -1.457 118.330 119.800 -0.022 0.000 3.331 115 Q HA 0.883 5.223 4.340 -0.000 0.000 0.279 115 Q C -0.277 175.703 176.000 -0.033 0.000 1.025 115 Q CA -0.747 55.042 55.803 -0.023 0.000 0.743 115 Q CB 1.920 30.643 28.738 -0.025 0.000 2.725 115 Q HN 0.622 nan 8.270 nan 0.000 0.380 116 E N -1.474 118.704 120.200 -0.037 0.000 2.377 116 E HA 0.295 4.645 4.350 -0.000 0.000 0.266 116 E C -1.014 175.553 176.600 -0.055 0.000 1.111 116 E CA -0.320 56.068 56.400 -0.021 0.000 0.889 116 E CB 2.164 31.891 29.700 0.044 0.000 1.644 116 E HN 0.412 nan 8.360 nan 0.000 0.464 117 V N -0.255 119.690 119.914 0.050 0.000 4.349 117 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 117 V C -0.133 175.643 176.094 -0.530 0.000 0.442 117 V CA 1.122 63.366 62.300 -0.094 0.000 0.865 117 V CB -1.918 29.833 31.823 -0.121 0.000 0.887 117 V HN 0.375 nan 8.190 nan 0.000 1.302 118 V N 0.705 120.357 119.914 -0.437 0.000 2.584 118 V HA 0.502 4.622 4.120 -0.000 0.000 0.319 118 V C 1.720 177.697 176.094 -0.195 0.000 1.363 118 V CA 0.454 62.303 62.300 -0.751 0.000 1.518 118 V CB 0.236 31.877 31.823 -0.304 0.000 1.514 118 V HN 0.604 nan 8.190 nan 0.000 0.553 119 G N 1.949 110.766 108.800 0.028 0.000 2.434 119 G HA2 0.063 4.023 3.960 -0.000 0.000 0.150 119 G HA3 0.063 4.023 3.960 -0.000 0.000 0.150 119 G C 1.420 176.545 174.900 0.374 0.000 1.744 119 G CA 0.412 45.722 45.100 0.350 0.000 0.973 119 G HN 0.643 nan 8.290 nan 0.000 0.397 120 G N -0.795 108.215 108.800 0.350 0.000 2.615 120 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.213 120 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.213 120 G C 1.337 176.384 174.900 0.245 0.000 1.135 120 G CA 0.319 45.561 45.100 0.237 0.000 0.772 120 G HN 0.265 nan 8.290 nan 0.000 0.542 121 F N 1.030 121.020 119.950 0.066 0.000 2.087 121 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 121 F C 2.388 178.217 175.800 0.048 0.000 1.100 121 F CA 1.691 59.723 58.000 0.054 0.000 1.226 121 F CB -0.105 38.929 39.000 0.057 0.000 0.983 121 F HN 0.187 nan 8.300 nan 0.000 0.479 122 D N -0.504 120.050 120.400 0.256 0.000 2.213 122 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 122 D C 2.429 178.803 176.300 0.123 0.000 0.961 122 D CA 0.305 54.399 54.000 0.157 0.000 0.853 122 D CB -0.161 40.714 40.800 0.126 0.000 0.967 122 D HN 0.110 nan 8.370 nan 0.000 0.496 123 L N 1.700 122.996 121.223 0.122 0.000 2.450 123 L HA -0.157 4.183 4.340 -0.000 0.000 0.225 123 L C 2.100 179.021 176.870 0.085 0.000 1.145 123 L CA 1.301 56.202 54.840 0.101 0.000 0.801 123 L CB -0.559 41.564 42.059 0.107 0.000 0.924 123 L HN 0.036 nan 8.230 nan 0.000 0.447 124 S N -1.632 114.115 115.700 0.079 0.000 2.427 124 S HA 0.067 4.537 4.470 -0.000 0.000 0.224 124 S C 2.122 176.754 174.600 0.054 0.000 1.047 124 S CA 0.418 58.651 58.200 0.054 0.000 0.953 124 S CB -0.105 63.115 63.200 0.034 0.000 0.824 124 S HN 0.336 nan 8.310 nan 0.000 0.502 125 A N 1.890 124.748 122.820 0.063 0.000 1.873 125 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 125 A C 2.206 179.824 177.584 0.057 0.000 1.186 125 A CA 1.304 53.373 52.037 0.054 0.000 0.616 125 A CB -0.941 18.093 19.000 0.058 0.000 0.823 125 A HN 0.429 nan 8.150 nan 0.000 0.442 126 L N -0.016 121.250 121.223 0.072 0.000 2.046 126 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 126 L C 2.157 179.069 176.870 0.070 0.000 1.077 126 L CA 1.570 56.454 54.840 0.073 0.000 0.747 126 L CB -0.304 41.822 42.059 0.111 0.000 0.896 126 L HN 0.431 nan 8.230 nan 0.000 0.432 127 I N -0.963 119.648 120.570 0.068 0.000 2.850 127 I HA -0.212 3.957 4.170 -0.000 0.000 0.266 127 I C 1.928 178.083 176.117 0.063 0.000 1.257 127 I CA 0.521 61.856 61.300 0.059 0.000 1.465 127 I CB -0.135 37.893 38.000 0.046 0.000 1.091 127 I HN 0.320 nan 8.210 nan 0.000 0.467 128 E N 0.623 120.863 120.200 0.066 0.000 2.110 128 E HA 0.009 4.359 4.350 -0.000 0.000 0.193 128 E C 2.149 178.810 176.600 0.102 0.000 0.950 128 E CA 0.606 57.050 56.400 0.073 0.000 0.840 128 E CB 0.005 29.735 29.700 0.049 0.000 0.809 128 E HN 0.232 nan 8.360 nan 0.000 0.465 129 R N 0.392 120.941 120.500 0.082 0.000 2.117 129 R HA -0.094 4.246 4.340 -0.000 0.000 0.243 129 R C 2.263 178.681 176.300 0.196 0.000 1.143 129 R CA 1.499 57.664 56.100 0.107 0.000 0.968 129 R CB -0.553 29.792 30.300 0.074 0.000 0.863 129 R HN 0.195 nan 8.270 nan 0.000 0.444 130 I N 0.955 121.610 120.570 0.142 0.000 2.286 130 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 130 I C 2.260 178.468 176.117 0.151 0.000 1.104 130 I CA 1.012 62.396 61.300 0.140 0.000 1.397 130 I CB -0.358 37.688 38.000 0.076 0.000 1.072 130 I HN 0.162 nan 8.210 nan 0.000 0.417 131 N N 0.686 119.464 118.700 0.131 0.000 2.166 131 N HA -0.281 4.459 4.740 -0.000 0.000 0.186 131 N C 1.901 177.493 175.510 0.136 0.000 1.019 131 N CA 1.552 54.668 53.050 0.110 0.000 0.856 131 N CB -0.354 38.187 38.487 0.090 0.000 0.993 131 N HN 0.379 nan 8.380 nan 0.000 0.426 132 Y N 0.822 121.155 120.300 0.055 0.000 2.070 132 Y HA -0.156 4.394 4.550 -0.000 0.000 0.280 132 Y C 2.322 178.261 175.900 0.065 0.000 1.148 132 Y CA 2.429 60.555 58.100 0.043 0.000 1.125 132 Y CB -0.873 37.609 38.460 0.037 0.000 0.975 132 Y HN 0.141 nan 8.280 nan 0.000 0.492 133 A N 0.250 123.233 122.820 0.271 0.000 1.978 133 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 133 A C 2.307 180.022 177.584 0.218 0.000 1.170 133 A CA 1.895 54.081 52.037 0.247 0.000 0.636 133 A CB -1.144 18.131 19.000 0.459 0.000 0.810 133 A HN 0.621 nan 8.150 nan 0.000 0.448 134 I N -0.881 119.775 120.570 0.143 0.000 2.113 134 I HA -0.319 3.851 4.170 -0.000 0.000 0.238 134 I C 2.874 179.019 176.117 0.046 0.000 1.070 134 I CA 1.697 63.057 61.300 0.100 0.000 1.332 134 I CB -0.587 37.457 38.000 0.073 0.000 1.044 134 I HN 0.436 nan 8.210 nan 0.000 0.402 135 Q N 0.633 120.423 119.800 -0.017 0.000 2.030 135 Q HA -0.303 4.036 4.340 -0.000 0.000 0.204 135 Q C 2.281 178.190 176.000 -0.153 0.000 0.986 135 Q CA 2.003 57.758 55.803 -0.081 0.000 0.843 135 Q CB -0.218 28.456 28.738 -0.107 0.000 0.904 135 Q HN 0.368 nan 8.270 nan 0.000 0.420 136 K N -0.072 120.166 120.400 -0.271 0.000 2.063 136 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 136 K C 1.064 177.423 176.600 -0.402 0.000 1.048 136 K CA 1.501 57.530 56.287 -0.430 0.000 0.928 136 K CB -0.031 32.066 32.500 -0.671 0.000 0.713 136 K HN 0.199 nan 8.250 nan 0.000 0.442 137 Y N 0.120 120.326 120.300 -0.157 0.000 2.485 137 Y HA 0.298 4.848 4.550 -0.000 0.000 0.260 137 Y C -0.176 175.687 175.900 -0.061 0.000 1.173 137 Y CA -0.211 57.834 58.100 -0.092 0.000 1.252 137 Y CB 0.461 38.895 38.460 -0.044 0.000 1.123 137 Y HN -0.003 nan 8.280 nan 0.000 0.524 138 R N 0.069 120.597 120.500 0.047 0.000 3.333 138 R HA -0.184 4.156 4.340 -0.000 0.000 0.256 138 R C 0.087 176.414 176.300 0.045 0.000 1.010 138 R CA 0.278 56.391 56.100 0.020 0.000 0.680 138 R CB -1.596 28.701 30.300 -0.005 0.000 1.102 138 R HN 0.311 nan 8.270 nan 0.000 0.440 139 A N 0.551 123.414 122.820 0.071 0.000 2.407 139 A HA 0.358 4.678 4.320 -0.000 0.000 0.248 139 A C 1.072 178.673 177.584 0.028 0.000 1.082 139 A CA -0.108 51.962 52.037 0.055 0.000 0.785 139 A CB 0.437 19.482 19.000 0.075 0.000 1.020 139 A HN 0.351 nan 8.150 nan 0.000 0.489 140 R N 0.340 120.844 120.500 0.007 0.000 2.435 140 R HA 0.163 4.503 4.340 -0.000 0.000 0.221 140 R C -0.079 176.228 176.300 0.011 0.000 0.885 140 R CA 0.557 56.656 56.100 -0.001 0.000 1.018 140 R CB 0.197 30.479 30.300 -0.031 0.000 1.259 140 R HN 0.771 nan 8.270 nan 0.000 0.597 141 R N 0.596 121.091 120.500 -0.010 0.000 2.621 141 R HA 0.644 4.984 4.340 -0.000 0.000 0.292 141 R C -0.976 175.382 176.300 0.096 0.000 0.969 141 R CA -0.616 55.499 56.100 0.025 0.000 0.887 141 R CB 2.907 33.035 30.300 -0.287 0.000 1.180 141 R HN -0.243 nan 8.270 nan 0.000 0.450 142 V N 1.080 121.120 119.914 0.210 0.000 2.876 142 V HA 0.505 4.625 4.120 -0.000 0.000 0.312 142 V C -0.581 175.647 176.094 0.224 0.000 1.085 142 V CA -0.745 61.652 62.300 0.161 0.000 0.945 142 V CB 2.433 34.312 31.823 0.094 0.000 1.017 142 V HN 0.760 nan 8.190 nan 0.000 0.428 143 S N 3.727 119.518 115.700 0.152 0.000 2.672 143 S HA 0.671 5.141 4.470 -0.000 0.000 0.291 143 S C -0.788 173.722 174.600 -0.151 0.000 1.145 143 S CA -0.365 57.910 58.200 0.124 0.000 1.013 143 S CB 1.201 64.626 63.200 0.375 0.000 1.017 143 S HN 0.542 nan 8.310 nan 0.000 0.487 144 I N 2.580 123.083 120.570 -0.113 0.000 2.330 144 I HA 0.318 4.487 4.170 -0.000 0.000 0.289 144 I C -0.551 175.499 176.117 -0.111 0.000 1.001 144 I CA -0.591 60.613 61.300 -0.161 0.000 1.193 144 I CB 1.201 39.204 38.000 0.005 0.000 1.345 144 I HN 0.408 nan 8.210 nan 0.000 0.461 145 D N 5.807 126.069 120.400 -0.229 0.000 2.347 145 D HA 0.197 4.837 4.640 -0.000 0.000 0.235 145 D C 0.193 176.555 176.300 0.103 0.000 1.149 145 D CA 0.346 54.319 54.000 -0.044 0.000 0.850 145 D CB 0.741 41.532 40.800 -0.016 0.000 1.061 145 D HN 0.673 nan 8.370 nan 0.000 0.487 146 S N 1.483 117.231 115.700 0.081 0.000 3.727 146 S HA -0.206 4.264 4.470 -0.000 0.000 0.444 146 S C 1.091 175.646 174.600 -0.075 0.000 0.867 146 S CA 0.479 58.703 58.200 0.041 0.000 1.324 146 S CB -2.471 60.759 63.200 0.050 0.000 0.890 146 S HN 0.724 nan 8.310 nan 0.000 0.599 147 V N -0.162 119.678 119.914 -0.124 0.000 2.490 147 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 147 V C 2.424 178.146 176.094 -0.621 0.000 1.061 147 V CA 2.236 64.274 62.300 -0.438 0.000 1.064 147 V CB -1.859 29.856 31.823 -0.180 0.000 0.670 147 V HN 0.842 nan 8.190 nan 0.000 0.461 148 T N 2.365 116.814 114.554 -0.175 0.000 2.592 148 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 148 T C 2.099 176.727 174.700 -0.120 0.000 1.060 148 T CA 3.038 65.180 62.100 0.071 0.000 1.167 148 T CB -0.898 68.064 68.868 0.157 0.000 0.863 148 T HN 0.961 nan 8.240 nan 0.000 0.431 149 S N 0.966 116.557 115.700 -0.182 0.000 2.440 149 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 149 S C 2.056 176.456 174.600 -0.333 0.000 1.010 149 S CA 1.040 59.135 58.200 -0.174 0.000 0.972 149 S CB -0.872 62.267 63.200 -0.102 0.000 0.774 149 S HN 0.315 nan 8.310 nan 0.000 0.501 150 V N 1.626 121.123 119.914 -0.696 0.000 2.244 150 V HA -0.043 4.077 4.120 -0.000 0.000 0.244 150 V C 1.886 177.685 176.094 -0.492 0.000 1.042 150 V CA 1.840 63.686 62.300 -0.757 0.000 1.006 150 V CB -0.765 30.346 31.823 -1.186 0.000 0.641 150 V HN 0.647 nan 8.190 nan 0.000 0.446 151 F N -0.463 119.366 119.950 -0.201 0.000 2.802 151 F HA 0.235 4.762 4.527 -0.000 0.000 0.300 151 F C 1.719 177.464 175.800 -0.092 0.000 1.168 151 F CA -0.043 57.866 58.000 -0.153 0.000 1.433 151 F CB -0.979 37.888 39.000 -0.222 0.000 1.115 151 F HN 0.126 nan 8.300 nan 0.000 0.582 152 Q N 1.566 121.422 119.800 0.092 0.000 2.380 152 Q HA 0.032 4.372 4.340 -0.000 0.000 0.254 152 Q C 0.996 176.976 176.000 -0.034 0.000 0.927 152 Q CA 0.280 56.149 55.803 0.111 0.000 0.950 152 Q CB -0.053 28.740 28.738 0.092 0.000 1.206 152 Q HN 0.665 nan 8.270 nan 0.000 0.414 153 Q N -0.422 119.305 119.800 -0.122 0.000 2.423 153 Q HA 0.009 4.349 4.340 -0.000 0.000 0.231 153 Q C -0.558 175.132 176.000 -0.518 0.000 0.894 153 Q CA 0.430 55.955 55.803 -0.463 0.000 0.938 153 Q CB 0.997 29.279 28.738 -0.759 0.000 1.079 153 Q HN 0.500 nan 8.270 nan 0.000 0.552 154 Y N -1.887 118.445 120.300 0.053 0.000 3.379 154 Y HA 0.281 4.831 4.550 -0.000 0.000 0.202 154 Y C -1.706 174.218 175.900 0.039 0.000 0.591 154 Y CA -1.538 56.589 58.100 0.045 0.000 1.126 154 Y CB -1.787 36.686 38.460 0.023 0.000 1.086 154 Y HN -0.142 nan 8.280 nan 0.000 0.525 155 D N 1.398 121.963 120.400 0.275 0.000 2.414 155 D HA 0.904 5.544 4.640 -0.000 0.000 0.241 155 D C -0.486 175.844 176.300 0.051 0.000 1.008 155 D CA -0.402 53.668 54.000 0.117 0.000 1.001 155 D CB 1.980 42.798 40.800 0.030 0.000 1.277 155 D HN 0.575 nan 8.370 nan 0.000 0.538 156 A N -0.067 122.742 122.820 -0.018 0.000 2.355 156 A HA 0.525 4.845 4.320 -0.000 0.000 0.324 156 A C 1.227 178.769 177.584 -0.070 0.000 1.117 156 A CA -0.158 51.882 52.037 0.005 0.000 0.785 156 A CB 1.163 20.168 19.000 0.008 0.000 1.254 156 A HN 0.648 nan 8.150 nan 0.000 0.453 157 S N 1.453 117.162 115.700 0.015 0.000 2.426 157 S HA -0.342 4.128 4.470 -0.000 0.000 0.253 157 S C 1.896 176.441 174.600 -0.092 0.000 1.104 157 S CA 2.763 60.961 58.200 -0.004 0.000 1.158 157 S CB -1.347 61.885 63.200 0.055 0.000 1.043 157 S HN 1.821 nan 8.310 nan 0.000 0.443 158 S N 1.539 117.195 115.700 -0.073 0.000 2.402 158 S HA 0.007 4.477 4.470 -0.000 0.000 0.229 158 S C 1.861 176.402 174.600 -0.099 0.000 1.021 158 S CA 0.950 59.104 58.200 -0.077 0.000 0.974 158 S CB -0.938 62.228 63.200 -0.055 0.000 0.800 158 S HN 0.522 nan 8.310 nan 0.000 0.484 159 V N 1.737 121.579 119.914 -0.121 0.000 2.453 159 V HA -0.075 4.045 4.120 -0.000 0.000 0.247 159 V C 2.590 178.554 176.094 -0.217 0.000 1.048 159 V CA 1.302 63.531 62.300 -0.118 0.000 1.049 159 V CB -0.960 30.807 31.823 -0.093 0.000 0.672 159 V HN 0.442 nan 8.190 nan 0.000 0.457 160 V N 0.335 119.995 119.914 -0.423 0.000 2.358 160 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 160 V C 2.585 178.433 176.094 -0.410 0.000 1.047 160 V CA 2.271 64.097 62.300 -0.790 0.000 1.035 160 V CB -0.828 30.268 31.823 -1.210 0.000 0.658 160 V HN 0.482 nan 8.190 nan 0.000 0.452 161 R N -0.015 120.357 120.500 -0.214 0.000 2.105 161 R HA -0.153 4.186 4.340 -0.000 0.000 0.239 161 R C 2.508 178.812 176.300 0.006 0.000 1.135 161 R CA 1.581 57.638 56.100 -0.071 0.000 0.967 161 R CB -0.167 30.101 30.300 -0.053 0.000 0.861 161 R HN 0.399 nan 8.270 nan 0.000 0.442 162 R N -0.168 120.327 120.500 -0.009 0.000 2.073 162 R HA -0.057 4.283 4.340 -0.000 0.000 0.229 162 R C 2.120 178.501 176.300 0.135 0.000 1.120 162 R CA 1.301 57.446 56.100 0.075 0.000 0.967 162 R CB -0.005 30.317 30.300 0.036 0.000 0.862 162 R HN 0.248 nan 8.270 nan 0.000 0.436 163 E N 0.920 121.171 120.200 0.084 0.000 2.051 163 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 163 E C 2.131 178.841 176.600 0.184 0.000 0.991 163 E CA 0.834 57.323 56.400 0.148 0.000 0.799 163 E CB -0.249 29.583 29.700 0.220 0.000 0.748 163 E HN 0.329 nan 8.360 nan 0.000 0.449 164 L N 0.063 121.397 121.223 0.183 0.000 1.970 164 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 164 L C 2.546 179.517 176.870 0.169 0.000 1.071 164 L CA 1.511 56.466 54.840 0.193 0.000 0.751 164 L CB -0.474 41.680 42.059 0.159 0.000 0.889 164 L HN 0.089 nan 8.230 nan 0.000 0.432 165 F N 0.849 120.827 119.950 0.048 0.000 2.120 165 F HA -0.298 4.229 4.527 -0.000 0.000 0.300 165 F C 2.795 178.621 175.800 0.044 0.000 1.095 165 F CA 1.957 59.982 58.000 0.041 0.000 1.249 165 F CB -0.395 38.621 39.000 0.027 0.000 0.995 165 F HN -0.014 nan 8.300 nan 0.000 0.480 166 R N 0.068 120.575 120.500 0.012 0.000 2.070 166 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 166 R C 2.278 178.509 176.300 -0.116 0.000 1.138 166 R CA 1.951 58.003 56.100 -0.079 0.000 0.936 166 R CB -0.918 29.407 30.300 0.042 0.000 0.839 166 R HN 0.409 nan 8.270 nan 0.000 0.429 167 L N 0.899 122.111 121.223 -0.020 0.000 1.956 167 L HA -0.199 4.141 4.340 -0.000 0.000 0.216 167 L C 2.313 179.156 176.870 -0.044 0.000 1.073 167 L CA 1.825 56.663 54.840 -0.003 0.000 0.762 167 L CB -0.828 41.264 42.059 0.054 0.000 0.889 167 L HN 0.116 nan 8.230 nan 0.000 0.433 168 V N 0.332 120.217 119.914 -0.048 0.000 2.250 168 V HA -0.422 3.698 4.120 -0.000 0.000 0.253 168 V C 2.817 178.837 176.094 -0.125 0.000 1.065 168 V CA 2.209 64.473 62.300 -0.059 0.000 1.039 168 V CB -1.613 30.192 31.823 -0.031 0.000 0.647 168 V HN 0.708 nan 8.190 nan 0.000 0.446 169 A N -0.384 122.269 122.820 -0.279 0.000 1.892 169 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 169 A C 2.340 179.827 177.584 -0.162 0.000 1.188 169 A CA 2.081 53.925 52.037 -0.322 0.000 0.631 169 A CB -0.552 18.074 19.000 -0.623 0.000 0.822 169 A HN 0.438 nan 8.150 nan 0.000 0.447 170 R N -0.631 119.795 120.500 -0.122 0.000 2.073 170 R HA -0.054 4.286 4.340 -0.000 0.000 0.234 170 R C 2.148 178.430 176.300 -0.030 0.000 1.134 170 R CA 1.417 57.483 56.100 -0.057 0.000 0.952 170 R CB -1.095 29.188 30.300 -0.028 0.000 0.850 170 R HN 0.606 nan 8.270 nan 0.000 0.433 171 L N 0.747 121.956 121.223 -0.024 0.000 2.083 171 L HA -0.157 4.182 4.340 -0.000 0.000 0.209 171 L C 2.653 179.522 176.870 -0.002 0.000 1.083 171 L CA 1.395 56.234 54.840 -0.001 0.000 0.752 171 L CB -0.350 41.715 42.059 0.009 0.000 0.899 171 L HN 0.153 nan 8.230 nan 0.000 0.433 172 K N -0.311 120.077 120.400 -0.020 0.000 2.097 172 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 172 K C 2.115 178.711 176.600 -0.006 0.000 1.050 172 K CA 1.132 57.413 56.287 -0.011 0.000 0.938 172 K CB 0.095 32.581 32.500 -0.024 0.000 0.718 172 K HN 0.383 nan 8.250 nan 0.000 0.442 173 Q N 0.408 120.198 119.800 -0.016 0.000 1.993 173 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 173 Q C 1.957 177.959 176.000 0.003 0.000 0.984 173 Q CA 1.238 57.036 55.803 -0.008 0.000 0.837 173 Q CB -0.121 28.609 28.738 -0.014 0.000 0.902 173 Q HN 0.284 nan 8.270 nan 0.000 0.423 174 I N 0.060 120.634 120.570 0.005 0.000 2.502 174 I HA -0.181 3.989 4.170 -0.000 0.000 0.258 174 I C 1.630 177.756 176.117 0.015 0.000 1.172 174 I CA 1.804 63.112 61.300 0.014 0.000 1.430 174 I CB -1.741 36.272 38.000 0.022 0.000 1.086 174 I HN 0.565 nan 8.210 nan 0.000 0.440 175 G N 0.406 109.215 108.800 0.015 0.000 2.179 175 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 175 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 175 G C 0.571 175.487 174.900 0.026 0.000 0.977 175 G CA 0.326 45.437 45.100 0.018 0.000 0.641 175 G HN 0.785 nan 8.290 nan 0.000 0.533 176 A N -0.022 122.818 122.820 0.033 0.000 2.386 176 A HA 0.672 4.992 4.320 -0.000 0.000 0.248 176 A C 0.687 178.310 177.584 0.065 0.000 1.082 176 A CA 1.059 53.126 52.037 0.050 0.000 0.789 176 A CB 0.413 19.447 19.000 0.056 0.000 1.025 176 A HN 0.870 nan 8.150 nan 0.000 0.490 177 T N 2.506 117.120 114.554 0.099 0.000 2.753 177 T HA 0.508 4.858 4.350 -0.000 0.000 0.297 177 T C -0.030 174.784 174.700 0.189 0.000 0.981 177 T CA -0.172 62.011 62.100 0.137 0.000 0.956 177 T CB 0.596 69.571 68.868 0.178 0.000 0.936 177 T HN 0.648 nan 8.240 nan 0.000 0.463 178 T N 2.233 116.848 114.554 0.101 0.000 2.940 178 T HA 0.633 4.983 4.350 -0.000 0.000 0.288 178 T C -0.371 174.306 174.700 -0.039 0.000 1.033 178 T CA -0.679 61.468 62.100 0.078 0.000 1.033 178 T CB 1.768 70.666 68.868 0.051 0.000 1.079 178 T HN 0.318 nan 8.240 nan 0.000 0.496 179 V N 2.766 122.651 119.914 -0.049 0.000 2.483 179 V HA 0.471 4.591 4.120 -0.000 0.000 0.297 179 V C -0.725 175.346 176.094 -0.039 0.000 1.027 179 V CA -0.623 61.596 62.300 -0.136 0.000 0.855 179 V CB 1.500 33.163 31.823 -0.268 0.000 0.995 179 V HN 0.826 nan 8.190 nan 0.000 0.424 180 M N 3.522 123.094 119.600 -0.047 0.000 2.294 180 M HA 0.427 4.907 4.480 -0.000 0.000 0.335 180 M C -0.173 176.114 176.300 -0.021 0.000 1.079 180 M CA -0.215 55.077 55.300 -0.013 0.000 0.982 180 M CB 2.134 34.739 32.600 0.008 0.000 1.651 180 M HN 0.473 nan 8.290 nan 0.000 0.437 181 T N 2.507 117.063 114.554 0.004 0.000 2.799 181 T HA 0.553 4.903 4.350 -0.000 0.000 0.286 181 T C -0.385 174.328 174.700 0.022 0.000 0.973 181 T CA -0.147 61.958 62.100 0.008 0.000 1.035 181 T CB 0.732 69.626 68.868 0.044 0.000 0.932 181 T HN 0.664 nan 8.240 nan 0.000 0.469 182 T N 3.386 117.949 114.554 0.014 0.000 2.906 182 T HA 0.492 4.842 4.350 -0.000 0.000 0.295 182 T C -0.602 174.113 174.700 0.026 0.000 1.075 182 T CA -1.161 60.963 62.100 0.040 0.000 1.005 182 T CB 1.699 70.598 68.868 0.050 0.000 1.136 182 T HN 0.621 nan 8.240 nan 0.000 0.498 183 E N 1.271 121.493 120.200 0.036 0.000 2.227 183 E HA 0.751 5.100 4.350 -0.000 0.000 0.268 183 E C -0.695 175.901 176.600 -0.006 0.000 0.990 183 E CA -1.128 55.281 56.400 0.015 0.000 0.856 183 E CB 1.816 31.528 29.700 0.020 0.000 1.159 183 E HN 0.444 nan 8.360 nan 0.000 0.401 184 R N 0.326 120.813 120.500 -0.021 0.000 2.836 184 R HA 0.417 4.757 4.340 -0.000 0.000 0.269 184 R C 0.285 176.562 176.300 -0.038 0.000 1.010 184 R CA -0.761 55.316 56.100 -0.038 0.000 0.930 184 R CB 1.164 31.439 30.300 -0.043 0.000 1.218 184 R HN 0.486 nan 8.270 nan 0.000 0.473 185 I N -1.406 119.138 120.570 -0.043 0.000 4.323 185 I HA 0.244 4.413 4.170 -0.000 0.000 0.328 185 I C 0.154 176.253 176.117 -0.030 0.000 1.310 185 I CA 0.405 61.685 61.300 -0.034 0.000 1.186 185 I CB -0.011 37.968 38.000 -0.036 0.000 1.130 185 I HN 0.494 nan 8.210 nan 0.000 0.411 186 E N 1.917 122.097 120.200 -0.033 0.000 2.210 186 E HA 0.228 4.578 4.350 -0.000 0.000 0.266 186 E C 0.238 176.800 176.600 -0.062 0.000 0.883 186 E CA -0.099 56.286 56.400 -0.025 0.000 0.761 186 E CB 2.736 32.436 29.700 0.001 0.000 1.156 186 E HN -0.059 nan 8.360 nan 0.000 0.412 187 E N 2.267 122.410 120.200 -0.095 0.000 2.204 187 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 187 E C 0.260 176.585 176.600 -0.458 0.000 0.990 187 E CA 1.393 57.637 56.400 -0.260 0.000 0.821 187 E CB 0.042 29.576 29.700 -0.277 0.000 0.750 187 E HN 0.499 nan 8.360 nan 0.000 0.477 188 Y N -2.098 118.203 120.300 0.001 0.000 2.707 188 Y HA 0.380 4.930 4.550 -0.000 0.000 0.249 188 Y C 1.034 176.934 175.900 0.000 0.000 1.166 188 Y CA -0.324 57.777 58.100 0.001 0.000 1.184 188 Y CB 1.059 39.520 38.460 0.001 0.000 1.240 188 Y HN 0.029 nan 8.280 nan 0.000 0.547 189 G N 1.224 110.075 108.800 0.084 0.000 3.086 189 G HA2 0.201 4.161 3.960 -0.000 0.000 0.159 189 G HA3 0.201 4.161 3.960 -0.000 0.000 0.159 189 G C -1.970 172.953 174.900 0.038 0.000 1.654 189 G CA -0.579 44.556 45.100 0.058 0.000 1.078 189 G HN -0.082 nan 8.290 nan 0.000 0.558 190 P HA 0.209 nan 4.420 nan 0.000 0.272 190 P C 0.451 177.749 177.300 -0.003 0.000 1.223 190 P CA -0.502 62.609 63.100 0.019 0.000 0.784 190 P CB 1.435 33.142 31.700 0.012 0.000 0.923 191 I N 0.859 121.422 120.570 -0.012 0.000 2.163 191 I HA -0.117 4.053 4.170 -0.000 0.000 0.243 191 I C 1.425 177.523 176.117 -0.033 0.000 1.085 191 I CA 1.482 62.758 61.300 -0.039 0.000 1.347 191 I CB -1.221 36.728 38.000 -0.084 0.000 1.044 191 I HN 0.516 nan 8.210 nan 0.000 0.408 192 A N -1.664 121.147 122.820 -0.015 0.000 2.566 192 A HA 0.523 4.843 4.320 -0.000 0.000 0.292 192 A C 1.152 178.719 177.584 -0.028 0.000 1.112 192 A CA -0.623 51.412 52.037 -0.003 0.000 0.707 192 A CB 0.847 19.870 19.000 0.038 0.000 1.302 192 A HN 0.040 nan 8.150 nan 0.000 0.409 193 R N -0.677 119.773 120.500 -0.083 0.000 2.159 193 R HA -0.248 4.092 4.340 -0.000 0.000 0.249 193 R C 0.715 176.728 176.300 -0.477 0.000 1.136 193 R CA 2.716 58.630 56.100 -0.310 0.000 0.951 193 R CB -0.433 29.571 30.300 -0.493 0.000 0.876 193 R HN 0.790 nan 8.270 nan 0.000 0.440 194 Y N -0.891 119.417 120.300 0.014 0.000 2.466 194 Y HA 0.219 4.769 4.550 -0.000 0.000 0.272 194 Y C 1.476 177.390 175.900 0.022 0.000 1.169 194 Y CA 0.301 58.397 58.100 -0.007 0.000 1.285 194 Y CB 0.484 38.901 38.460 -0.073 0.000 1.078 194 Y HN 0.287 nan 8.280 nan 0.000 0.523 195 G N 0.260 109.125 108.800 0.108 0.000 2.296 195 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.282 195 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.282 195 G C 0.655 175.706 174.900 0.252 0.000 1.014 195 G CA 0.925 46.117 45.100 0.153 0.000 0.812 195 G HN 0.362 nan 8.290 nan 0.000 0.508 196 V N -1.384 118.669 119.914 0.232 0.000 3.251 196 V HA 0.099 4.219 4.120 -0.000 0.000 0.239 196 V C 2.280 178.508 176.094 0.224 0.000 1.332 196 V CA 1.620 64.065 62.300 0.241 0.000 1.224 196 V CB 0.349 32.244 31.823 0.120 0.000 1.004 196 V HN 0.347 nan 8.190 nan 0.000 0.464 197 E N 1.024 121.314 120.200 0.150 0.000 2.097 197 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 197 E C 1.871 178.497 176.600 0.043 0.000 1.000 197 E CA 1.745 58.208 56.400 0.106 0.000 0.804 197 E CB -0.239 29.524 29.700 0.106 0.000 0.740 197 E HN 0.608 nan 8.360 nan 0.000 0.454 198 E N -0.266 119.900 120.200 -0.056 0.000 2.136 198 E HA -0.230 4.120 4.350 -0.000 0.000 0.208 198 E C 1.564 177.911 176.600 -0.421 0.000 1.035 198 E CA 1.826 58.014 56.400 -0.353 0.000 0.838 198 E CB -0.302 28.915 29.700 -0.805 0.000 0.748 198 E HN 0.354 nan 8.360 nan 0.000 0.459 199 F N -1.349 118.618 119.950 0.027 0.000 2.664 199 F HA 0.050 4.577 4.527 -0.000 0.000 0.296 199 F C 1.893 177.717 175.800 0.040 0.000 1.125 199 F CA 0.073 58.088 58.000 0.025 0.000 1.444 199 F CB 0.129 39.135 39.000 0.009 0.000 1.114 199 F HN -0.113 nan 8.300 nan 0.000 0.576 200 V N -1.236 118.790 119.914 0.186 0.000 2.788 200 V HA -0.061 4.059 4.120 -0.000 0.000 0.251 200 V C 1.003 177.186 176.094 0.147 0.000 1.068 200 V CA 0.662 63.072 62.300 0.182 0.000 1.090 200 V CB -0.574 31.361 31.823 0.187 0.000 0.710 200 V HN 0.101 nan 8.190 nan 0.000 0.467 201 S N 0.257 116.004 115.700 0.079 0.000 2.632 201 S HA 0.195 4.664 4.470 -0.000 0.000 0.271 201 S C 0.796 175.418 174.600 0.037 0.000 1.260 201 S CA -0.541 57.687 58.200 0.046 0.000 1.010 201 S CB 1.153 64.356 63.200 0.004 0.000 0.965 201 S HN 0.394 nan 8.310 nan 0.000 0.534 202 D N 0.841 121.260 120.400 0.031 0.000 2.249 202 D HA 0.034 4.673 4.640 -0.000 0.000 0.205 202 D C -0.214 176.087 176.300 0.001 0.000 0.962 202 D CA 0.873 54.891 54.000 0.029 0.000 0.860 202 D CB 0.162 40.982 40.800 0.034 0.000 0.955 202 D HN 0.429 nan 8.370 nan 0.000 0.505 203 N N 0.483 119.171 118.700 -0.021 0.000 2.249 203 N HA 0.310 5.050 4.740 -0.000 0.000 0.296 203 N C -0.958 174.506 175.510 -0.078 0.000 1.051 203 N CA -0.389 52.629 53.050 -0.053 0.000 0.815 203 N CB 3.250 41.711 38.487 -0.044 0.000 1.487 203 N HN -0.257 nan 8.380 nan 0.000 0.475 204 V N 0.971 120.822 119.914 -0.106 0.000 2.531 204 V HA 0.509 4.629 4.120 -0.000 0.000 0.301 204 V C -0.205 175.815 176.094 -0.124 0.000 1.034 204 V CA -0.788 61.443 62.300 -0.115 0.000 0.865 204 V CB 2.013 33.763 31.823 -0.121 0.000 0.995 204 V HN 0.366 nan 8.190 nan 0.000 0.424 205 V N 5.949 125.782 119.914 -0.135 0.000 2.588 205 V HA 0.572 4.691 4.120 -0.000 0.000 0.304 205 V C -0.510 175.502 176.094 -0.136 0.000 1.042 205 V CA -0.376 61.842 62.300 -0.136 0.000 0.877 205 V CB 2.090 33.784 31.823 -0.214 0.000 0.996 205 V HN 0.757 nan 8.190 nan 0.000 0.425 206 I N 5.657 126.179 120.570 -0.080 0.000 2.406 206 I HA 0.466 4.636 4.170 -0.000 0.000 0.290 206 I C -0.675 175.432 176.117 -0.017 0.000 0.999 206 I CA -0.450 60.814 61.300 -0.060 0.000 1.124 206 I CB 1.733 39.710 38.000 -0.038 0.000 1.289 206 I HN 0.300 nan 8.210 nan 0.000 0.441 207 L N 6.816 128.031 121.223 -0.012 0.000 2.272 207 L HA 0.571 4.911 4.340 -0.000 0.000 0.289 207 L C -0.100 176.811 176.870 0.068 0.000 1.032 207 L CA -0.539 54.361 54.840 0.099 0.000 0.810 207 L CB 1.010 43.134 42.059 0.108 0.000 1.205 207 L HN 0.550 nan 8.230 nan 0.000 0.422 208 R N 2.214 122.763 120.500 0.082 0.000 2.637 208 R HA 0.319 4.659 4.340 -0.000 0.000 0.291 208 R C -0.454 175.821 176.300 -0.042 0.000 0.963 208 R CA -0.574 55.502 56.100 -0.041 0.000 0.901 208 R CB 2.186 32.401 30.300 -0.141 0.000 1.160 208 R HN 0.556 nan 8.270 nan 0.000 0.457 209 N N 2.349 121.005 118.700 -0.074 0.000 2.918 209 N HA 0.127 4.867 4.740 -0.000 0.000 0.270 209 N C -0.998 174.469 175.510 -0.071 0.000 1.536 209 N CA -0.172 52.833 53.050 -0.076 0.000 0.877 209 N CB 0.965 39.422 38.487 -0.050 0.000 1.190 209 N HN 0.170 nan 8.380 nan 0.000 0.492 210 V N 3.455 123.329 119.914 -0.067 0.000 2.521 210 V HA -0.018 4.102 4.120 -0.000 0.000 0.286 210 V C 1.269 177.362 176.094 -0.002 0.000 1.034 210 V CA -0.060 62.225 62.300 -0.025 0.000 1.045 210 V CB 1.059 32.905 31.823 0.037 0.000 0.974 210 V HN 0.547 nan 8.190 nan 0.000 0.480 211 L N 4.201 125.430 121.223 0.011 0.000 1.883 211 L HA 0.223 4.563 4.340 -0.000 0.000 0.221 211 L C 1.242 178.122 176.870 0.018 0.000 1.122 211 L CA 1.563 56.408 54.840 0.009 0.000 1.006 211 L CB -0.604 41.460 42.059 0.009 0.000 0.960 211 L HN 1.024 nan 8.230 nan 0.000 0.533 212 E N -0.512 119.702 120.200 0.024 0.000 5.777 212 E HA -0.161 4.189 4.350 -0.000 0.000 0.177 212 E C 0.477 177.080 176.600 0.006 0.000 1.390 212 E CA 0.697 57.109 56.400 0.020 0.000 1.310 212 E CB -1.604 28.115 29.700 0.031 0.000 0.995 212 E HN 1.245 nan 8.360 nan 0.000 0.328 213 G N 3.880 112.681 108.800 0.002 0.000 2.162 213 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 213 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 213 G C 0.490 175.386 174.900 -0.007 0.000 0.976 213 G CA 0.988 46.085 45.100 -0.005 0.000 0.655 213 G HN 0.873 nan 8.290 nan 0.000 0.533 214 E N -2.813 117.383 120.200 -0.006 0.000 4.217 214 E HA -0.164 4.186 4.350 -0.000 0.000 0.365 214 E C 0.610 177.203 176.600 -0.011 0.000 0.647 214 E CA 1.096 57.490 56.400 -0.009 0.000 1.399 214 E CB -0.683 29.010 29.700 -0.012 0.000 1.766 214 E HN 0.511 nan 8.360 nan 0.000 0.394 215 R N 1.098 121.592 120.500 -0.010 0.000 2.604 215 R HA 0.471 4.811 4.340 -0.000 0.000 0.287 215 R C 0.162 176.452 176.300 -0.016 0.000 0.970 215 R CA -0.590 55.502 56.100 -0.013 0.000 0.946 215 R CB 0.917 31.211 30.300 -0.011 0.000 1.127 215 R HN -0.017 nan 8.270 nan 0.000 0.473 216 R N 1.638 122.123 120.500 -0.025 0.000 2.532 216 R HA 0.436 4.776 4.340 -0.000 0.000 0.295 216 R C -0.201 176.070 176.300 -0.049 0.000 0.968 216 R CA -0.702 55.377 56.100 -0.034 0.000 0.916 216 R CB 2.037 32.312 30.300 -0.041 0.000 1.124 216 R HN 0.488 nan 8.270 nan 0.000 0.463 217 R N 2.762 123.230 120.500 -0.054 0.000 2.500 217 R HA 0.284 4.624 4.340 -0.000 0.000 0.299 217 R C -0.702 175.527 176.300 -0.118 0.000 1.038 217 R CA -0.617 55.442 56.100 -0.069 0.000 0.903 217 R CB 1.126 31.413 30.300 -0.022 0.000 1.177 217 R HN 0.585 nan 8.270 nan 0.000 0.455 218 R N 2.434 122.782 120.500 -0.254 0.000 2.390 218 R HA 0.282 4.622 4.340 -0.000 0.000 0.291 218 R C -0.395 175.741 176.300 -0.274 0.000 1.070 218 R CA -0.368 55.448 56.100 -0.473 0.000 1.014 218 R CB 1.186 30.740 30.300 -1.243 0.000 1.007 218 R HN 0.682 nan 8.270 nan 0.000 0.466 219 T N -0.228 114.336 114.554 0.017 0.000 2.900 219 T HA 0.522 4.872 4.350 -0.000 0.000 0.303 219 T C -0.742 174.235 174.700 0.463 0.000 1.142 219 T CA -1.030 61.239 62.100 0.282 0.000 1.007 219 T CB 1.620 70.583 68.868 0.159 0.000 1.156 219 T HN 0.553 nan 8.240 nan 0.000 0.490 220 L N 0.958 122.473 121.223 0.487 0.000 2.362 220 L HA 0.862 5.202 4.340 -0.000 0.000 0.271 220 L C -0.833 176.191 176.870 0.256 0.000 1.002 220 L CA -0.541 54.489 54.840 0.318 0.000 0.818 220 L CB 1.856 44.033 42.059 0.197 0.000 1.298 220 L HN 1.050 nan 8.230 nan 0.000 0.420 221 E N 4.573 124.867 120.200 0.156 0.000 2.308 221 E HA 0.401 4.751 4.350 -0.000 0.000 0.275 221 E C -1.693 174.945 176.600 0.063 0.000 0.890 221 E CA -0.722 55.766 56.400 0.147 0.000 0.754 221 E CB 2.105 31.871 29.700 0.111 0.000 1.207 221 E HN 0.699 nan 8.360 nan 0.000 0.426 222 I N 6.346 126.940 120.570 0.039 0.000 2.297 222 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 222 I C 1.092 177.145 176.117 -0.107 0.000 1.033 222 I CA -0.303 60.918 61.300 -0.131 0.000 1.253 222 I CB 1.092 38.891 38.000 -0.336 0.000 1.396 222 I HN 0.707 nan 8.210 nan 0.000 0.476 223 L N 6.840 128.006 121.223 -0.096 0.000 2.095 223 L HA 0.048 4.388 4.340 -0.000 0.000 0.204 223 L C 0.675 177.537 176.870 -0.013 0.000 1.080 223 L CA 1.352 56.180 54.840 -0.021 0.000 0.759 223 L CB 0.095 42.126 42.059 -0.047 0.000 0.914 223 L HN 0.645 nan 8.230 nan 0.000 0.439 224 K N -0.966 119.346 120.400 -0.148 0.000 2.587 224 K HA 0.462 4.782 4.320 -0.000 0.000 0.276 224 K C -1.661 174.835 176.600 -0.174 0.000 0.956 224 K CA -0.764 55.484 56.287 -0.065 0.000 0.857 224 K CB 1.550 34.051 32.500 0.001 0.000 1.431 224 K HN -0.045 nan 8.250 nan 0.000 0.420 225 L N 2.657 123.851 121.223 -0.049 0.000 2.518 225 L HA 0.440 4.780 4.340 -0.000 0.000 0.262 225 L C -0.558 176.348 176.870 0.060 0.000 0.982 225 L CA -0.837 53.991 54.840 -0.020 0.000 0.873 225 L CB 1.924 43.981 42.059 -0.003 0.000 1.198 225 L HN 0.632 nan 8.230 nan 0.000 0.427 226 R N 1.441 121.966 120.500 0.042 0.000 2.484 226 R HA 0.276 4.616 4.340 -0.000 0.000 0.293 226 R C 1.208 177.543 176.300 0.057 0.000 1.023 226 R CA 1.342 57.474 56.100 0.053 0.000 1.037 226 R CB 0.517 30.846 30.300 0.048 0.000 0.951 226 R HN 0.923 nan 8.270 nan 0.000 0.418 227 G N 1.800 110.636 108.800 0.060 0.000 2.268 227 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.240 227 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.240 227 G C 0.260 175.198 174.900 0.064 0.000 1.010 227 G CA 0.411 45.544 45.100 0.056 0.000 0.618 227 G HN 0.701 nan 8.290 nan 0.000 0.516 228 T N -1.256 113.347 114.554 0.083 0.000 2.773 228 T HA 0.799 5.149 4.350 -0.000 0.000 0.278 228 T C 0.178 174.946 174.700 0.113 0.000 1.011 228 T CA 0.422 62.579 62.100 0.095 0.000 1.014 228 T CB 1.738 70.668 68.868 0.104 0.000 1.293 228 T HN 1.411 nan 8.240 nan 0.000 0.554 229 S N -0.384 115.382 115.700 0.111 0.000 2.704 229 S HA 0.889 5.359 4.470 -0.000 0.000 0.305 229 S C -0.803 173.780 174.600 -0.028 0.000 1.107 229 S CA -0.768 57.450 58.200 0.030 0.000 0.993 229 S CB 0.845 64.101 63.200 0.093 0.000 1.110 229 S HN 1.343 nan 8.310 nan 0.000 0.534 230 H N -2.136 116.743 119.070 -0.319 0.000 2.902 230 H HA 0.551 5.107 4.556 -0.000 0.000 0.297 230 H C -1.252 173.731 175.328 -0.575 0.000 1.406 230 H CA -1.238 54.382 56.048 -0.713 0.000 1.134 230 H CB 0.380 29.929 29.762 -0.355 0.000 1.833 230 H HN 0.600 nan 8.280 nan 0.000 0.527 231 M N 1.149 120.504 119.600 -0.408 0.000 2.250 231 M HA 0.349 4.829 4.480 -0.000 0.000 0.344 231 M C -0.636 175.739 176.300 0.125 0.000 1.150 231 M CA -0.385 54.855 55.300 -0.100 0.000 1.147 231 M CB 0.941 33.511 32.600 -0.050 0.000 1.498 231 M HN 0.422 nan 8.290 nan 0.000 0.461 232 K N 1.017 121.496 120.400 0.131 0.000 2.098 232 K HA 0.802 5.122 4.320 -0.000 0.000 0.258 232 K C 0.167 176.877 176.600 0.184 0.000 0.973 232 K CA 0.294 56.672 56.287 0.153 0.000 0.898 232 K CB 1.519 34.042 32.500 0.039 0.000 1.057 232 K HN 0.862 nan 8.250 nan 0.000 0.447 233 G N 0.946 109.822 108.800 0.126 0.000 2.627 233 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.214 233 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.214 233 G C -1.159 173.725 174.900 -0.027 0.000 1.331 233 G CA -0.799 44.307 45.100 0.009 0.000 0.891 233 G HN 0.503 nan 8.290 nan 0.000 0.539 234 E N -0.764 119.338 120.200 -0.163 0.000 2.248 234 E HA 0.625 4.975 4.350 -0.000 0.000 0.272 234 E C -1.218 175.138 176.600 -0.405 0.000 1.008 234 E CA -0.375 55.971 56.400 -0.091 0.000 0.856 234 E CB 1.423 31.127 29.700 0.008 0.000 1.120 234 E HN 0.422 nan 8.360 nan 0.000 0.397 235 Y N 1.070 121.467 120.300 0.162 0.000 2.442 235 Y HA 0.283 4.833 4.550 -0.000 0.000 0.344 235 Y C -2.227 173.841 175.900 0.280 0.000 0.976 235 Y CA -2.492 55.725 58.100 0.194 0.000 1.040 235 Y CB 1.794 40.356 38.460 0.171 0.000 1.228 235 Y HN 0.387 nan 8.280 nan 0.000 0.451 236 P HA 0.293 nan 4.420 nan 0.000 0.274 236 P C -1.043 176.616 177.300 0.599 0.000 1.231 236 P CA 0.067 63.396 63.100 0.380 0.000 0.790 236 P CB 1.147 33.003 31.700 0.260 0.000 0.951 237 F N -1.935 118.209 119.950 0.324 0.000 2.741 237 F HA 0.732 5.259 4.527 -0.000 0.000 0.313 237 F C -1.579 174.389 175.800 0.280 0.000 1.153 237 F CA -0.750 57.434 58.000 0.308 0.000 0.931 237 F CB 0.964 40.082 39.000 0.197 0.000 1.335 237 F HN 0.158 nan 8.300 nan 0.000 0.460 238 T N 2.116 117.005 114.554 0.559 0.000 2.906 238 T HA 0.638 4.987 4.350 -0.000 0.000 0.295 238 T C -0.998 173.945 174.700 0.404 0.000 1.075 238 T CA -0.585 61.714 62.100 0.331 0.000 1.005 238 T CB 1.965 71.044 68.868 0.352 0.000 1.136 238 T HN 0.627 nan 8.240 nan 0.000 0.498 239 I N 3.010 123.736 120.570 0.260 0.000 2.390 239 I HA 0.367 4.537 4.170 -0.000 0.000 0.283 239 I C 0.793 177.027 176.117 0.194 0.000 1.016 239 I CA -0.468 60.987 61.300 0.258 0.000 1.151 239 I CB 1.348 39.498 38.000 0.250 0.000 1.293 239 I HN 0.790 nan 8.210 nan 0.000 0.458 240 T N 0.167 114.831 114.554 0.183 0.000 2.735 240 T HA 0.285 4.635 4.350 -0.000 0.000 0.262 240 T C 0.708 175.462 174.700 0.091 0.000 0.955 240 T CA -0.513 61.655 62.100 0.114 0.000 1.022 240 T CB 1.447 70.378 68.868 0.105 0.000 1.455 240 T HN 0.365 nan 8.240 nan 0.000 0.583 241 D N -0.006 120.325 120.400 -0.115 0.000 2.348 241 D HA -0.021 4.619 4.640 -0.000 0.000 0.216 241 D C 0.831 176.921 176.300 -0.349 0.000 0.970 241 D CA 0.903 54.715 54.000 -0.314 0.000 0.889 241 D CB -0.072 40.438 40.800 -0.483 0.000 0.912 241 D HN 0.522 nan 8.370 nan 0.000 0.524 242 H N -0.397 118.699 119.070 0.044 0.000 2.488 242 H HA 0.374 4.930 4.556 -0.000 0.000 0.294 242 H C 1.514 176.811 175.328 -0.052 0.000 1.088 242 H CA 0.394 56.434 56.048 -0.014 0.000 1.086 242 H CB 0.416 30.203 29.762 0.041 0.000 1.569 242 H HN 0.069 nan 8.280 nan 0.000 0.548 243 G N 1.190 109.973 108.800 -0.028 0.000 2.553 243 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.242 243 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.242 243 G C -0.114 174.769 174.900 -0.028 0.000 1.277 243 G CA -0.385 44.549 45.100 -0.277 0.000 0.910 243 G HN 0.265 nan 8.290 nan 0.000 0.576 244 I N 1.625 122.169 120.570 -0.044 0.000 2.517 244 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 244 I C 0.434 176.564 176.117 0.022 0.000 1.106 244 I CA 0.206 61.523 61.300 0.028 0.000 1.402 244 I CB 0.716 38.650 38.000 -0.108 0.000 1.399 244 I HN 0.493 nan 8.210 nan 0.000 0.535 245 N N 7.282 126.038 118.700 0.094 0.000 2.442 245 N HA 0.565 5.305 4.740 -0.000 0.000 0.274 245 N C -1.167 174.239 175.510 -0.173 0.000 1.002 245 N CA -0.445 52.557 53.050 -0.080 0.000 0.910 245 N CB 1.015 39.446 38.487 -0.093 0.000 1.244 245 N HN 0.370 nan 8.380 nan 0.000 0.492 246 I N 2.849 123.264 120.570 -0.259 0.000 2.404 246 I HA 0.410 4.580 4.170 -0.000 0.000 0.293 246 I C -0.867 175.066 176.117 -0.307 0.000 0.992 246 I CA -0.834 60.391 61.300 -0.126 0.000 1.149 246 I CB 1.143 39.168 38.000 0.040 0.000 1.315 246 I HN 0.346 nan 8.210 nan 0.000 0.446 247 F N 6.072 126.137 119.950 0.192 0.000 2.361 247 F HA 0.419 4.946 4.527 -0.000 0.000 0.364 247 F C -2.200 173.701 175.800 0.169 0.000 1.117 247 F CA -2.583 55.504 58.000 0.144 0.000 1.071 247 F CB 0.833 39.911 39.000 0.131 0.000 1.188 247 F HN 0.221 nan 8.300 nan 0.000 0.464 248 P HA 0.227 nan 4.420 nan 0.000 0.219 248 P C 0.865 178.294 177.300 0.215 0.000 1.832 248 P CA 0.029 63.186 63.100 0.095 0.000 1.014 248 P CB 0.135 31.755 31.700 -0.134 0.000 1.939 249 L N -0.367 121.042 121.223 0.309 0.000 2.351 249 L HA -0.144 4.196 4.340 -0.000 0.000 0.220 249 L C 2.068 179.043 176.870 0.174 0.000 1.127 249 L CA 1.690 56.654 54.840 0.207 0.000 0.786 249 L CB -0.750 41.405 42.059 0.162 0.000 0.914 249 L HN 0.328 nan 8.230 nan 0.000 0.443 250 G N -1.301 107.650 108.800 0.252 0.000 2.986 250 G HA2 0.217 4.177 3.960 -0.000 0.000 0.213 250 G HA3 0.217 4.177 3.960 -0.000 0.000 0.213 250 G C 1.447 176.435 174.900 0.146 0.000 1.156 250 G CA 0.529 45.748 45.100 0.200 0.000 0.763 250 G HN 0.381 nan 8.290 nan 0.000 0.547 251 A N 0.047 122.940 122.820 0.122 0.000 2.195 251 A HA 0.465 4.785 4.320 -0.000 0.000 0.210 251 A C 1.252 178.871 177.584 0.060 0.000 1.165 251 A CA -0.191 51.887 52.037 0.068 0.000 0.806 251 A CB -0.179 18.832 19.000 0.018 0.000 0.847 251 A HN 0.380 nan 8.150 nan 0.000 0.482 252 M N 1.603 121.247 119.600 0.074 0.000 2.217 252 M HA 0.171 4.651 4.480 -0.000 0.000 0.352 252 M C -0.265 176.060 176.300 0.043 0.000 1.376 252 M CA 0.050 55.388 55.300 0.063 0.000 1.107 252 M CB 0.309 32.953 32.600 0.073 0.000 1.723 252 M HN 0.265 nan 8.290 nan 0.000 0.461 253 R N 3.465 123.984 120.500 0.032 0.000 2.500 253 R HA 0.296 4.636 4.340 -0.000 0.000 0.275 253 R C -0.304 176.003 176.300 0.012 0.000 1.051 253 R CA -0.816 55.295 56.100 0.019 0.000 1.088 253 R CB 0.803 31.110 30.300 0.011 0.000 1.063 253 R HN 0.640 nan 8.270 nan 0.000 0.511 254 L N 2.461 123.688 121.223 0.007 0.000 2.873 254 L HA 0.133 4.473 4.340 -0.000 0.000 0.236 254 L C -0.312 176.556 176.870 -0.004 0.000 1.375 254 L CA 0.900 55.740 54.840 0.000 0.000 1.239 254 L CB -0.283 41.776 42.059 -0.001 0.000 1.603 254 L HN 0.579 nan 8.230 nan 0.000 0.430 255 T N -0.110 114.442 114.554 -0.003 0.000 3.393 255 T HA 0.235 4.585 4.350 -0.000 0.000 0.255 255 T C 0.056 174.750 174.700 -0.010 0.000 1.008 255 T CA -0.476 61.620 62.100 -0.007 0.000 1.053 255 T CB -0.075 68.790 68.868 -0.005 0.000 1.120 255 T HN 0.327 nan 8.240 nan 0.000 0.538 256 Q N 1.219 121.011 119.800 -0.013 0.000 2.288 256 Q HA 0.390 4.729 4.340 -0.000 0.000 0.254 256 Q C -0.010 175.978 176.000 -0.020 0.000 0.932 256 Q CA -0.382 55.411 55.803 -0.017 0.000 0.902 256 Q CB 1.573 30.302 28.738 -0.016 0.000 1.203 256 Q HN 0.353 nan 8.270 nan 0.000 0.415 257 R N 0.859 121.347 120.500 -0.020 0.000 2.590 257 R HA 0.191 4.531 4.340 -0.000 0.000 0.274 257 R C -0.123 176.163 176.300 -0.024 0.000 1.061 257 R CA 0.174 56.262 56.100 -0.019 0.000 1.081 257 R CB 0.603 30.894 30.300 -0.015 0.000 0.984 257 R HN 0.524 nan 8.270 nan 0.000 0.448 258 S N 1.496 117.176 115.700 -0.033 0.000 2.756 258 S HA 0.253 4.723 4.470 -0.000 0.000 0.303 258 S C -0.555 174.007 174.600 -0.064 0.000 1.135 258 S CA -0.644 57.522 58.200 -0.056 0.000 1.066 258 S CB 0.851 64.004 63.200 -0.079 0.000 1.008 258 S HN 0.640 nan 8.310 nan 0.000 0.482 259 S N 3.749 119.419 115.700 -0.050 0.000 2.745 259 S HA 0.509 4.979 4.470 -0.000 0.000 0.292 259 S C 0.422 174.989 174.600 -0.055 0.000 1.133 259 S CA -0.597 57.588 58.200 -0.024 0.000 0.998 259 S CB 1.178 64.396 63.200 0.031 0.000 1.087 259 S HN 0.668 nan 8.310 nan 0.000 0.551 260 N N -0.081 118.641 118.700 0.036 0.000 2.205 260 N HA 0.194 4.934 4.740 -0.000 0.000 0.201 260 N C -0.258 175.451 175.510 0.331 0.000 1.128 260 N CA 0.050 53.190 53.050 0.150 0.000 0.867 260 N CB 0.434 38.990 38.487 0.116 0.000 0.996 260 N HN 0.447 nan 8.380 nan 0.000 0.503 261 V N 2.214 122.267 119.914 0.231 0.000 2.872 261 V HA 0.059 4.179 4.120 -0.000 0.000 0.307 261 V C 0.921 177.175 176.094 0.267 0.000 1.072 261 V CA 0.164 62.582 62.300 0.197 0.000 1.148 261 V CB 0.662 32.562 31.823 0.129 0.000 0.954 261 V HN 0.100 nan 8.190 nan 0.000 0.490 262 R N 2.063 122.649 120.500 0.144 0.000 2.856 262 R HA 0.892 5.232 4.340 -0.000 0.000 0.258 262 R C -1.198 175.136 176.300 0.057 0.000 1.066 262 R CA -0.586 55.557 56.100 0.073 0.000 1.045 262 R CB 2.065 32.351 30.300 -0.023 0.000 1.178 262 R HN 0.527 nan 8.270 nan 0.000 0.499 263 V N -0.935 119.004 119.914 0.041 0.000 3.206 263 V HA 0.366 4.485 4.120 -0.000 0.000 0.305 263 V C -0.322 175.732 176.094 -0.067 0.000 1.257 263 V CA -1.006 61.301 62.300 0.012 0.000 1.057 263 V CB 1.993 33.854 31.823 0.064 0.000 1.075 263 V HN 0.762 nan 8.190 nan 0.000 0.443 264 S N 0.213 115.843 115.700 -0.117 0.000 2.585 264 S HA 0.384 4.854 4.470 -0.000 0.000 0.277 264 S C 1.206 175.643 174.600 -0.272 0.000 1.241 264 S CA 0.165 58.241 58.200 -0.207 0.000 1.041 264 S CB 1.509 64.619 63.200 -0.151 0.000 0.987 264 S HN 1.205 nan 8.310 nan 0.000 0.512 265 S N 2.652 118.079 115.700 -0.455 0.000 2.527 265 S HA 0.249 4.719 4.470 -0.000 0.000 0.222 265 S C 1.475 176.051 174.600 -0.039 0.000 0.985 265 S CA 0.600 58.571 58.200 -0.382 0.000 0.921 265 S CB -0.253 62.519 63.200 -0.713 0.000 0.772 265 S HN 1.799 nan 8.310 nan 0.000 0.529 266 G N -0.095 108.643 108.800 -0.103 0.000 2.176 266 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.232 266 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.232 266 G C -0.048 174.813 174.900 -0.065 0.000 0.986 266 G CA -0.071 44.999 45.100 -0.049 0.000 0.643 266 G HN 0.837 nan 8.290 nan 0.000 0.522 267 V N 1.841 121.692 119.914 -0.106 0.000 2.419 267 V HA 0.384 4.504 4.120 -0.000 0.000 0.287 267 V C 1.624 177.647 176.094 -0.119 0.000 1.017 267 V CA -0.173 62.063 62.300 -0.106 0.000 0.844 267 V CB 1.414 33.165 31.823 -0.119 0.000 1.011 267 V HN 0.160 nan 8.190 nan 0.000 0.429 268 V N 4.155 124.015 119.914 -0.089 0.000 2.231 268 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 268 V C 2.493 178.545 176.094 -0.071 0.000 1.054 268 V CA 2.370 64.623 62.300 -0.079 0.000 1.015 268 V CB -0.728 31.062 31.823 -0.054 0.000 0.638 268 V HN 0.891 nan 8.190 nan 0.000 0.444 269 R N -0.083 120.382 120.500 -0.058 0.000 2.159 269 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 269 R C 2.065 178.334 176.300 -0.052 0.000 1.131 269 R CA 1.413 57.488 56.100 -0.041 0.000 0.982 269 R CB -0.716 29.563 30.300 -0.035 0.000 0.868 269 R HN 0.570 nan 8.270 nan 0.000 0.453 270 L N -0.261 120.908 121.223 -0.090 0.000 2.005 270 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 270 L C 1.459 178.268 176.870 -0.102 0.000 1.072 270 L CA 1.816 56.596 54.840 -0.099 0.000 0.744 270 L CB -0.448 41.528 42.059 -0.137 0.000 0.895 270 L HN 0.314 nan 8.230 nan 0.000 0.433 271 D N -0.199 120.105 120.400 -0.160 0.000 2.172 271 D HA -0.269 4.371 4.640 -0.000 0.000 0.196 271 D C 1.883 178.154 176.300 -0.047 0.000 0.999 271 D CA 1.710 55.613 54.000 -0.161 0.000 0.856 271 D CB 0.011 40.712 40.800 -0.164 0.000 0.934 271 D HN 0.527 nan 8.370 nan 0.000 0.453 272 E N 0.168 120.364 120.200 -0.006 0.000 2.028 272 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 272 E C 2.339 179.036 176.600 0.162 0.000 0.988 272 E CA 0.732 57.176 56.400 0.073 0.000 0.799 272 E CB -0.098 29.639 29.700 0.062 0.000 0.755 272 E HN 0.246 nan 8.360 nan 0.000 0.447 273 M N 0.133 119.790 119.600 0.095 0.000 2.195 273 M HA -0.192 4.288 4.480 -0.000 0.000 0.260 273 M C 1.894 178.209 176.300 0.024 0.000 1.066 273 M CA 0.850 56.187 55.300 0.061 0.000 1.089 273 M CB -0.204 32.405 32.600 0.015 0.000 1.377 273 M HN 0.169 nan 8.290 nan 0.000 0.411 274 C N 1.028 120.365 119.300 0.063 0.000 2.524 274 C HA 0.272 4.732 4.460 -0.000 0.000 0.301 274 C C 1.561 176.626 174.990 0.125 0.000 1.296 274 C CA 0.064 59.131 59.018 0.082 0.000 1.683 274 C CB -2.021 25.777 27.740 0.095 0.000 1.764 274 C HN 0.842 nan 8.230 nan 0.000 0.597 275 G N 0.747 109.720 108.800 0.289 0.000 2.366 275 G HA2 0.081 4.040 3.960 -0.000 0.000 0.299 275 G HA3 0.081 4.040 3.960 -0.000 0.000 0.299 275 G C 0.813 175.811 174.900 0.163 0.000 1.020 275 G CA 0.449 45.832 45.100 0.471 0.000 1.026 275 G HN 1.510 nan 8.290 nan 0.000 0.512 276 G N -2.423 106.418 108.800 0.067 0.000 2.148 276 G HA2 0.533 4.493 3.960 -0.000 0.000 0.157 276 G HA3 0.533 4.493 3.960 -0.000 0.000 0.157 276 G C 1.485 176.333 174.900 -0.085 0.000 1.012 276 G CA 0.584 45.673 45.100 -0.017 0.000 0.677 276 G HN 2.966 nan 8.290 nan 0.000 0.506 277 G N -1.326 107.409 108.800 -0.108 0.000 2.592 277 G HA2 0.208 4.168 3.960 -0.000 0.000 0.684 277 G HA3 0.208 4.168 3.960 -0.000 0.000 0.684 277 G C -0.153 174.686 174.900 -0.102 0.000 1.291 277 G CA -0.395 44.594 45.100 -0.184 0.000 0.891 277 G HN 1.008 nan 8.290 nan 0.000 0.544 278 F N -0.503 119.405 119.950 -0.070 0.000 2.382 278 F HA 0.581 5.108 4.527 -0.000 0.000 0.331 278 F C 1.091 176.855 175.800 -0.059 0.000 1.121 278 F CA -0.725 57.251 58.000 -0.040 0.000 1.183 278 F CB 0.772 39.842 39.000 0.117 0.000 1.207 278 F HN 0.301 nan 8.300 nan 0.000 0.555 279 F N 1.797 121.918 119.950 0.285 0.000 2.399 279 F HA 0.125 4.652 4.527 -0.000 0.000 0.342 279 F C 1.474 177.376 175.800 0.171 0.000 1.106 279 F CA -0.283 57.822 58.000 0.175 0.000 1.196 279 F CB 1.105 40.179 39.000 0.122 0.000 1.163 279 F HN 0.513 nan 8.300 nan 0.000 0.547 280 K N 0.878 121.483 120.400 0.341 0.000 2.057 280 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 280 K C -0.121 176.597 176.600 0.197 0.000 1.049 280 K CA 1.353 57.775 56.287 0.225 0.000 0.931 280 K CB -0.006 32.587 32.500 0.155 0.000 0.714 280 K HN 0.515 nan 8.250 nan 0.000 0.440 281 D N 1.525 122.032 120.400 0.179 0.000 2.453 281 D HA 0.097 4.737 4.640 -0.000 0.000 0.223 281 D C -0.820 175.556 176.300 0.128 0.000 1.183 281 D CA 0.230 54.296 54.000 0.110 0.000 0.933 281 D CB 0.908 41.733 40.800 0.041 0.000 1.038 281 D HN 0.302 nan 8.370 nan 0.000 0.513 282 S N 1.180 116.964 115.700 0.140 0.000 2.622 282 S HA 0.395 4.865 4.470 -0.000 0.000 0.275 282 S C -1.535 173.127 174.600 0.103 0.000 1.112 282 S CA -1.013 57.262 58.200 0.124 0.000 0.837 282 S CB 0.976 64.290 63.200 0.189 0.000 1.082 282 S HN 0.035 nan 8.310 nan 0.000 0.456 283 I N 2.961 123.581 120.570 0.084 0.000 2.330 283 I HA 0.455 4.624 4.170 -0.000 0.000 0.289 283 I C -0.517 175.613 176.117 0.023 0.000 1.001 283 I CA -1.034 60.344 61.300 0.130 0.000 1.193 283 I CB 1.169 39.244 38.000 0.124 0.000 1.345 283 I HN 0.634 nan 8.210 nan 0.000 0.461 284 I N 7.147 127.675 120.570 -0.070 0.000 2.377 284 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 284 I C -0.318 175.740 176.117 -0.098 0.000 0.987 284 I CA -1.000 60.148 61.300 -0.252 0.000 1.185 284 I CB 1.782 39.358 38.000 -0.708 0.000 1.341 284 I HN 0.303 nan 8.210 nan 0.000 0.455 285 L N 5.895 127.069 121.223 -0.082 0.000 2.343 285 L HA 0.770 5.109 4.340 -0.000 0.000 0.278 285 L C -0.338 176.503 176.870 -0.048 0.000 0.996 285 L CA -0.196 54.637 54.840 -0.012 0.000 0.831 285 L CB 1.399 43.465 42.059 0.011 0.000 1.232 285 L HN 0.716 nan 8.230 nan 0.000 0.413 286 A N 3.528 126.324 122.820 -0.041 0.000 2.258 286 A HA 0.788 5.108 4.320 -0.000 0.000 0.316 286 A C -0.361 177.214 177.584 -0.016 0.000 1.279 286 A CA -0.333 51.679 52.037 -0.042 0.000 0.876 286 A CB 0.337 19.305 19.000 -0.054 0.000 1.170 286 A HN 0.703 nan 8.150 nan 0.000 0.520 287 T N 0.600 115.136 114.554 -0.029 0.000 2.887 287 T HA 0.884 5.234 4.350 -0.000 0.000 0.288 287 T C 0.103 174.781 174.700 -0.036 0.000 1.021 287 T CA -0.168 61.914 62.100 -0.030 0.000 1.000 287 T CB 2.007 70.838 68.868 -0.061 0.000 1.034 287 T HN 1.667 nan 8.240 nan 0.000 0.467 288 G N 0.051 108.837 108.800 -0.022 0.000 2.355 288 G HA2 0.608 4.568 3.960 -0.000 0.000 0.296 288 G HA3 0.608 4.568 3.960 -0.000 0.000 0.296 288 G C -0.835 174.069 174.900 0.008 0.000 1.507 288 G CA -0.403 44.678 45.100 -0.031 0.000 0.823 288 G HN 0.907 nan 8.290 nan 0.000 0.569 289 A N 0.054 122.894 122.820 0.033 0.000 2.409 289 A HA 0.651 4.971 4.320 -0.000 0.000 0.246 289 A C 1.266 178.942 177.584 0.154 0.000 1.099 289 A CA 1.076 53.207 52.037 0.157 0.000 0.789 289 A CB 0.002 19.221 19.000 0.366 0.000 1.053 289 A HN 2.053 nan 8.150 nan 0.000 0.503 290 T N -0.823 113.841 114.554 0.184 0.000 2.906 290 T HA 0.389 4.738 4.350 -0.000 0.000 0.320 290 T C 1.575 176.410 174.700 0.226 0.000 1.088 290 T CA 1.674 63.864 62.100 0.150 0.000 1.120 290 T CB -0.163 68.765 68.868 0.100 0.000 1.000 290 T HN 2.403 nan 8.240 nan 0.000 0.550 291 G N 2.692 111.604 108.800 0.186 0.000 2.302 291 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.263 291 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.263 291 G C 1.214 176.239 174.900 0.209 0.000 0.995 291 G CA 1.439 46.681 45.100 0.237 0.000 0.622 291 G HN 1.465 nan 8.290 nan 0.000 0.538 292 T N -1.495 113.080 114.554 0.035 0.000 2.977 292 T HA 0.316 4.666 4.350 -0.000 0.000 0.271 292 T C 2.422 177.168 174.700 0.077 0.000 1.105 292 T CA 1.814 63.814 62.100 -0.166 0.000 1.116 292 T CB -0.183 68.507 68.868 -0.295 0.000 0.878 292 T HN 2.350 nan 8.240 nan 0.000 0.509 293 G N 0.734 109.597 108.800 0.105 0.000 2.143 293 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.175 293 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.175 293 G C 0.607 175.519 174.900 0.020 0.000 1.004 293 G CA 0.191 45.347 45.100 0.094 0.000 0.671 293 G HN 0.476 nan 8.290 nan 0.000 0.512 294 K N 0.199 120.623 120.400 0.040 0.000 2.020 294 K HA -0.036 4.284 4.320 -0.000 0.000 0.212 294 K C 2.623 179.244 176.600 0.035 0.000 1.050 294 K CA 2.243 58.544 56.287 0.022 0.000 0.929 294 K CB -0.483 32.044 32.500 0.045 0.000 0.714 294 K HN 0.338 nan 8.250 nan 0.000 0.443 295 T N 1.401 116.012 114.554 0.094 0.000 2.849 295 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 295 T C 1.567 176.329 174.700 0.103 0.000 1.066 295 T CA 1.064 63.260 62.100 0.160 0.000 1.130 295 T CB -0.186 68.838 68.868 0.260 0.000 0.864 295 T HN 0.072 nan 8.240 nan 0.000 0.481 296 L N 1.102 122.236 121.223 -0.149 0.000 1.988 296 L HA 0.108 4.448 4.340 -0.000 0.000 0.207 296 L C 2.154 178.883 176.870 -0.236 0.000 1.071 296 L CA 1.563 56.053 54.840 -0.583 0.000 0.744 296 L CB -0.835 40.718 42.059 -0.843 0.000 0.893 296 L HN 0.209 nan 8.230 nan 0.000 0.433 297 L N -1.368 119.767 121.223 -0.146 0.000 2.081 297 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 297 L C 2.481 179.388 176.870 0.061 0.000 1.080 297 L CA 1.191 56.001 54.840 -0.050 0.000 0.754 297 L CB -0.837 41.191 42.059 -0.053 0.000 0.893 297 L HN 0.186 nan 8.230 nan 0.000 0.433 298 V N -0.848 119.108 119.914 0.069 0.000 2.237 298 V HA -0.292 3.828 4.120 -0.000 0.000 0.245 298 V C 2.603 178.857 176.094 0.267 0.000 1.046 298 V CA 2.065 64.451 62.300 0.144 0.000 1.007 298 V CB -0.271 31.634 31.823 0.137 0.000 0.638 298 V HN 0.380 nan 8.190 nan 0.000 0.445 299 S N -0.537 115.337 115.700 0.290 0.000 2.368 299 S HA -0.330 4.140 4.470 -0.000 0.000 0.226 299 S C 2.125 176.939 174.600 0.357 0.000 1.044 299 S CA 2.305 60.785 58.200 0.466 0.000 1.062 299 S CB -0.437 62.986 63.200 0.371 0.000 0.931 299 S HN 0.455 nan 8.310 nan 0.000 0.440 300 R N 0.288 120.901 120.500 0.188 0.000 2.148 300 R HA 0.033 4.373 4.340 -0.000 0.000 0.227 300 R C 1.842 178.251 176.300 0.182 0.000 1.103 300 R CA 1.199 57.378 56.100 0.132 0.000 0.983 300 R CB -0.521 29.791 30.300 0.020 0.000 0.874 300 R HN 0.540 nan 8.270 nan 0.000 0.451 301 F N -1.212 118.784 119.950 0.075 0.000 2.416 301 F HA 0.049 4.576 4.527 -0.000 0.000 0.296 301 F C 1.506 177.358 175.800 0.087 0.000 1.099 301 F CA 0.548 58.600 58.000 0.086 0.000 1.427 301 F CB 0.118 39.202 39.000 0.141 0.000 1.079 301 F HN -0.172 nan 8.300 nan 0.000 0.536 302 V N 0.645 120.712 119.914 0.255 0.000 2.591 302 V HA -0.174 3.946 4.120 -0.000 0.000 0.249 302 V C 2.388 178.516 176.094 0.055 0.000 1.053 302 V CA 1.972 64.338 62.300 0.111 0.000 1.068 302 V CB -0.271 31.629 31.823 0.127 0.000 0.689 302 V HN 0.433 nan 8.190 nan 0.000 0.462 303 E N 0.450 120.742 120.200 0.153 0.000 2.107 303 E HA -0.247 4.102 4.350 -0.000 0.000 0.191 303 E C 2.047 178.669 176.600 0.037 0.000 0.982 303 E CA 1.094 57.581 56.400 0.145 0.000 0.809 303 E CB -0.272 29.551 29.700 0.204 0.000 0.756 303 E HN 0.606 nan 8.360 nan 0.000 0.459 304 N N 0.735 119.425 118.700 -0.017 0.000 2.348 304 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 304 N C 1.389 176.835 175.510 -0.106 0.000 1.019 304 N CA 1.182 54.189 53.050 -0.071 0.000 0.880 304 N CB -0.025 38.395 38.487 -0.112 0.000 0.965 304 N HN 0.192 nan 8.380 nan 0.000 0.437 305 A N -0.811 121.924 122.820 -0.140 0.000 2.218 305 A HA 0.089 4.409 4.320 -0.000 0.000 0.209 305 A C 2.304 179.852 177.584 -0.059 0.000 1.168 305 A CA 0.128 52.087 52.037 -0.129 0.000 0.804 305 A CB -0.296 18.597 19.000 -0.178 0.000 0.834 305 A HN 0.507 nan 8.150 nan 0.000 0.482 306 C N -1.834 117.450 119.300 -0.027 0.000 2.558 306 C HA 0.335 4.794 4.460 -0.000 0.000 0.288 306 C C 2.972 177.963 174.990 0.002 0.000 1.338 306 C CA 0.387 59.406 59.018 0.003 0.000 1.760 306 C CB -0.650 27.111 27.740 0.035 0.000 2.159 306 C HN 0.692 nan 8.230 nan 0.000 0.518 307 A N 0.825 123.644 122.820 -0.002 0.000 2.172 307 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 307 A C 1.384 178.959 177.584 -0.015 0.000 1.154 307 A CA 1.351 53.386 52.037 -0.003 0.000 0.701 307 A CB -0.367 18.630 19.000 -0.006 0.000 0.789 307 A HN 0.668 nan 8.150 nan 0.000 0.465 308 N N -0.119 118.565 118.700 -0.027 0.000 2.275 308 N HA 0.098 4.838 4.740 -0.000 0.000 0.236 308 N C -0.787 174.706 175.510 -0.029 0.000 1.154 308 N CA -0.035 52.997 53.050 -0.031 0.000 0.866 308 N CB 0.276 38.737 38.487 -0.044 0.000 1.093 308 N HN 0.369 nan 8.380 nan 0.000 0.515 309 K N 1.145 121.532 120.400 -0.021 0.000 3.540 309 K HA -0.222 4.098 4.320 -0.000 0.000 0.274 309 K C -0.697 175.881 176.600 -0.037 0.000 0.890 309 K CA 0.867 57.141 56.287 -0.022 0.000 0.701 309 K CB -1.050 31.439 32.500 -0.019 0.000 1.523 309 K HN 0.442 nan 8.250 nan 0.000 0.450 310 E N 0.270 120.445 120.200 -0.042 0.000 2.299 310 E HA 0.371 4.721 4.350 -0.000 0.000 0.265 310 E C -0.386 176.180 176.600 -0.055 0.000 0.911 310 E CA -1.148 55.218 56.400 -0.058 0.000 0.789 310 E CB 1.699 31.365 29.700 -0.057 0.000 1.246 310 E HN 0.126 nan 8.360 nan 0.000 0.427 311 R N 0.657 121.101 120.500 -0.093 0.000 2.357 311 R HA 0.652 4.992 4.340 -0.000 0.000 0.296 311 R C -0.802 175.546 176.300 0.079 0.000 1.052 311 R CA -0.359 55.694 56.100 -0.078 0.000 0.988 311 R CB 1.335 31.346 30.300 -0.482 0.000 1.025 311 R HN 0.472 nan 8.270 nan 0.000 0.469 312 A N 3.717 126.676 122.820 0.232 0.000 2.486 312 A HA 0.613 4.933 4.320 -0.000 0.000 0.300 312 A C -0.835 176.837 177.584 0.147 0.000 1.048 312 A CA -0.736 51.400 52.037 0.165 0.000 0.696 312 A CB 1.272 20.300 19.000 0.047 0.000 1.278 312 A HN 0.637 nan 8.150 nan 0.000 0.405 313 I N 1.765 122.381 120.570 0.076 0.000 2.474 313 I HA 0.416 4.586 4.170 -0.000 0.000 0.294 313 I C -1.137 174.870 176.117 -0.183 0.000 1.005 313 I CA -0.863 60.330 61.300 -0.178 0.000 1.113 313 I CB 1.945 39.775 38.000 -0.285 0.000 1.289 313 I HN 0.522 nan 8.210 nan 0.000 0.436 314 L N 7.291 128.310 121.223 -0.339 0.000 2.318 314 L HA 0.516 4.856 4.340 -0.000 0.000 0.277 314 L C -1.436 175.264 176.870 -0.284 0.000 1.008 314 L CA -0.088 54.643 54.840 -0.181 0.000 0.846 314 L CB 0.560 42.515 42.059 -0.173 0.000 1.220 314 L HN 0.239 nan 8.230 nan 0.000 0.423 315 F N 4.771 124.727 119.950 0.010 0.000 2.390 315 F HA 0.663 5.190 4.527 -0.000 0.000 0.361 315 F C 0.822 176.562 175.800 -0.101 0.000 1.124 315 F CA -0.268 57.708 58.000 -0.039 0.000 1.149 315 F CB 1.149 40.264 39.000 0.192 0.000 1.160 315 F HN 0.647 nan 8.300 nan 0.000 0.501 316 A N 3.677 126.395 122.820 -0.170 0.000 2.288 316 A HA 0.561 4.881 4.320 -0.000 0.000 0.320 316 A C -0.882 176.460 177.584 -0.404 0.000 1.217 316 A CA -0.402 51.554 52.037 -0.135 0.000 0.840 316 A CB 0.262 19.210 19.000 -0.085 0.000 1.179 316 A HN 0.795 nan 8.150 nan 0.000 0.504 317 Y N 0.329 120.651 120.300 0.036 0.000 2.500 317 Y HA 0.203 4.753 4.550 -0.000 0.000 0.246 317 Y C 1.422 177.304 175.900 -0.030 0.000 1.146 317 Y CA 0.143 58.236 58.100 -0.011 0.000 1.230 317 Y CB 0.743 39.198 38.460 -0.008 0.000 1.214 317 Y HN 0.799 nan 8.280 nan 0.000 0.526 318 E N -0.270 119.974 120.200 0.072 0.000 2.441 318 E HA 0.128 4.478 4.350 -0.000 0.000 0.212 318 E C -0.074 176.528 176.600 0.003 0.000 0.840 318 E CA 0.175 56.610 56.400 0.058 0.000 1.143 318 E CB 0.816 30.576 29.700 0.101 0.000 1.153 318 E HN 0.360 nan 8.360 nan 0.000 0.539 319 E N 1.140 121.329 120.200 -0.018 0.000 2.244 319 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 319 E C -0.632 175.920 176.600 -0.079 0.000 0.914 319 E CA -0.555 55.830 56.400 -0.024 0.000 0.794 319 E CB 2.017 31.735 29.700 0.030 0.000 1.210 319 E HN -0.045 nan 8.360 nan 0.000 0.414 320 S N 0.982 116.642 115.700 -0.067 0.000 2.608 320 S HA 0.073 4.543 4.470 -0.000 0.000 0.261 320 S C 1.096 175.668 174.600 -0.047 0.000 1.314 320 S CA -0.383 57.770 58.200 -0.079 0.000 0.992 320 S CB 0.819 63.990 63.200 -0.047 0.000 0.935 320 S HN 0.598 nan 8.310 nan 0.000 0.564 321 R N 1.451 121.920 120.500 -0.051 0.000 2.092 321 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 321 R C 2.493 178.797 176.300 0.007 0.000 1.119 321 R CA 1.325 57.408 56.100 -0.028 0.000 0.970 321 R CB -1.275 28.997 30.300 -0.046 0.000 0.864 321 R HN 0.721 nan 8.270 nan 0.000 0.440 322 A N 1.725 124.541 122.820 -0.007 0.000 1.873 322 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 322 A C 2.239 179.821 177.584 -0.004 0.000 1.186 322 A CA 1.357 53.391 52.037 -0.005 0.000 0.616 322 A CB -0.552 18.438 19.000 -0.016 0.000 0.823 322 A HN 0.395 nan 8.150 nan 0.000 0.442 323 Q N -0.597 119.197 119.800 -0.009 0.000 2.084 323 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 323 Q C 2.048 178.044 176.000 -0.008 0.000 0.978 323 Q CA 1.291 57.083 55.803 -0.019 0.000 0.844 323 Q CB -0.214 28.515 28.738 -0.016 0.000 0.898 323 Q HN 0.686 nan 8.270 nan 0.000 0.426 324 L N 0.252 121.501 121.223 0.044 0.000 2.079 324 L HA -0.243 4.096 4.340 -0.000 0.000 0.210 324 L C 2.331 179.278 176.870 0.128 0.000 1.081 324 L CA 0.874 55.789 54.840 0.125 0.000 0.752 324 L CB -0.236 41.944 42.059 0.201 0.000 0.896 324 L HN 0.332 nan 8.230 nan 0.000 0.433 325 L N -0.806 120.487 121.223 0.116 0.000 2.005 325 L HA -0.235 4.105 4.340 -0.000 0.000 0.207 325 L C 2.811 179.674 176.870 -0.012 0.000 1.072 325 L CA 1.273 56.168 54.840 0.092 0.000 0.744 325 L CB -0.448 41.663 42.059 0.087 0.000 0.895 325 L HN 0.201 nan 8.230 nan 0.000 0.433 326 R N 0.215 120.691 120.500 -0.039 0.000 2.122 326 R HA -0.245 4.094 4.340 -0.000 0.000 0.236 326 R C 2.103 178.312 176.300 -0.152 0.000 1.129 326 R CA 2.416 58.473 56.100 -0.072 0.000 0.925 326 R CB -0.359 29.890 30.300 -0.084 0.000 0.850 326 R HN 0.391 nan 8.270 nan 0.000 0.431 327 N N 0.363 118.907 118.700 -0.260 0.000 2.149 327 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 327 N C 1.550 176.630 175.510 -0.716 0.000 1.019 327 N CA 1.610 54.306 53.050 -0.591 0.000 0.857 327 N CB -0.484 37.635 38.487 -0.614 0.000 0.997 327 N HN 0.410 nan 8.380 nan 0.000 0.426 328 A N 0.103 122.709 122.820 -0.358 0.000 1.872 328 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 328 A C 2.140 179.591 177.584 -0.223 0.000 1.187 328 A CA 0.860 52.715 52.037 -0.304 0.000 0.614 328 A CB -1.030 17.389 19.000 -0.968 0.000 0.826 328 A HN 0.320 nan 8.150 nan 0.000 0.442 329 Y N 1.678 121.817 120.300 -0.269 0.000 2.207 329 Y HA -0.207 4.343 4.550 -0.000 0.000 0.287 329 Y C 2.461 178.284 175.900 -0.128 0.000 1.156 329 Y CA 1.852 59.856 58.100 -0.160 0.000 1.182 329 Y CB -0.190 38.197 38.460 -0.122 0.000 0.979 329 Y HN 0.309 nan 8.280 nan 0.000 0.521 330 S N -1.231 114.373 115.700 -0.160 0.000 2.603 330 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 330 S C 0.752 175.265 174.600 -0.145 0.000 0.972 330 S CA 0.458 58.541 58.200 -0.196 0.000 0.935 330 S CB -0.321 62.714 63.200 -0.276 0.000 0.769 330 S HN 0.535 nan 8.310 nan 0.000 0.536 331 W N 1.454 122.666 121.300 -0.146 0.000 3.005 331 W HA 0.467 5.127 4.660 -0.000 0.000 0.374 331 W C 1.310 177.733 176.519 -0.160 0.000 1.076 331 W CA 0.059 57.331 57.345 -0.122 0.000 1.794 331 W CB -0.622 28.779 29.460 -0.098 0.000 1.113 331 W HN 0.396 nan 8.180 nan 0.000 0.584 332 G N 1.577 110.339 108.800 -0.063 0.000 2.826 332 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.233 332 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.233 332 G C 0.292 175.070 174.900 -0.203 0.000 1.296 332 G CA -0.181 44.828 45.100 -0.151 0.000 1.001 332 G HN 0.220 nan 8.290 nan 0.000 0.576 333 M N 0.164 119.702 119.600 -0.103 0.000 2.490 333 M HA -0.083 4.397 4.480 -0.000 0.000 0.522 333 M C -0.851 175.387 176.300 -0.102 0.000 1.258 333 M CA 1.599 56.852 55.300 -0.079 0.000 0.628 333 M CB -0.590 31.974 32.600 -0.060 0.000 1.835 333 M HN 0.670 nan 8.290 nan 0.000 0.560 334 D N 4.412 124.840 120.400 0.046 0.000 2.443 334 D HA 0.345 4.985 4.640 -0.000 0.000 0.221 334 D C 0.096 176.563 176.300 0.277 0.000 1.097 334 D CA -0.343 53.769 54.000 0.187 0.000 0.865 334 D CB 0.200 41.122 40.800 0.204 0.000 1.034 334 D HN 0.696 nan 8.370 nan 0.000 0.511 335 F N 1.446 121.476 119.950 0.133 0.000 2.407 335 F HA -0.099 4.428 4.527 -0.000 0.000 0.299 335 F C 2.201 178.037 175.800 0.059 0.000 1.097 335 F CA -0.092 57.958 58.000 0.083 0.000 1.422 335 F CB 0.580 39.623 39.000 0.072 0.000 1.067 335 F HN 0.353 nan 8.300 nan 0.000 0.539 336 E N 0.730 121.080 120.200 0.250 0.000 2.049 336 E HA -0.260 4.089 4.350 -0.000 0.000 0.198 336 E C 1.886 178.552 176.600 0.110 0.000 1.007 336 E CA 1.400 57.881 56.400 0.135 0.000 0.809 336 E CB -0.355 29.397 29.700 0.088 0.000 0.749 336 E HN 0.324 nan 8.360 nan 0.000 0.450 337 E N 0.541 120.816 120.200 0.125 0.000 2.023 337 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 337 E C 2.114 178.768 176.600 0.090 0.000 1.003 337 E CA 1.328 57.786 56.400 0.097 0.000 0.809 337 E CB -0.246 29.514 29.700 0.100 0.000 0.755 337 E HN 0.148 nan 8.360 nan 0.000 0.449 338 M N 0.497 120.167 119.600 0.117 0.000 2.146 338 M HA -0.227 4.253 4.480 -0.000 0.000 0.256 338 M C 1.947 178.278 176.300 0.052 0.000 1.075 338 M CA 1.754 57.105 55.300 0.085 0.000 1.082 338 M CB -1.169 31.485 32.600 0.089 0.000 1.355 338 M HN 0.202 nan 8.290 nan 0.000 0.402 339 E N 0.440 120.664 120.200 0.040 0.000 2.015 339 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 339 E C 2.182 178.800 176.600 0.029 0.000 0.991 339 E CA 1.133 57.538 56.400 0.008 0.000 0.802 339 E CB -0.224 29.474 29.700 -0.003 0.000 0.759 339 E HN 0.559 nan 8.360 nan 0.000 0.447 340 R N 1.174 121.696 120.500 0.036 0.000 2.113 340 R HA -0.183 4.157 4.340 -0.000 0.000 0.231 340 R C 2.363 178.690 176.300 0.045 0.000 1.129 340 R CA 1.619 57.740 56.100 0.036 0.000 0.915 340 R CB -0.506 29.815 30.300 0.034 0.000 0.837 340 R HN 0.229 nan 8.270 nan 0.000 0.430 341 Q N 0.685 120.514 119.800 0.048 0.000 2.595 341 Q HA -0.191 4.149 4.340 -0.000 0.000 0.219 341 Q C -0.159 175.879 176.000 0.062 0.000 0.984 341 Q CA 0.688 56.520 55.803 0.048 0.000 0.910 341 Q CB -0.466 28.300 28.738 0.047 0.000 0.956 341 Q HN 0.335 nan 8.270 nan 0.000 0.533 342 N N -1.134 117.618 118.700 0.088 0.000 2.710 342 N HA -0.210 4.530 4.740 -0.000 0.000 0.249 342 N C -0.051 175.578 175.510 0.197 0.000 1.059 342 N CA 0.511 53.655 53.050 0.156 0.000 0.720 342 N CB -0.860 37.706 38.487 0.131 0.000 0.983 342 N HN 0.308 nan 8.380 nan 0.000 0.544 343 L N -1.820 119.505 121.223 0.170 0.000 2.537 343 L HA 0.245 4.585 4.340 -0.000 0.000 0.224 343 L C 0.545 177.573 176.870 0.265 0.000 1.065 343 L CA 0.191 55.117 54.840 0.143 0.000 0.860 343 L CB 0.201 42.296 42.059 0.060 0.000 1.086 343 L HN 0.239 nan 8.230 nan 0.000 0.482 344 L N 1.160 122.496 121.223 0.187 0.000 2.362 344 L HA 0.454 4.794 4.340 -0.000 0.000 0.275 344 L C -1.045 175.730 176.870 -0.158 0.000 0.998 344 L CA -0.169 54.692 54.840 0.036 0.000 0.820 344 L CB 1.745 43.749 42.059 -0.091 0.000 1.270 344 L HN 0.013 nan 8.230 nan 0.000 0.415 345 K N 5.901 126.078 120.400 -0.372 0.000 2.413 345 K HA 0.576 4.896 4.320 -0.000 0.000 0.257 345 K C -1.195 175.112 176.600 -0.488 0.000 0.946 345 K CA -0.573 55.354 56.287 -0.601 0.000 0.823 345 K CB 1.561 33.342 32.500 -1.198 0.000 1.109 345 K HN 0.655 nan 8.250 nan 0.000 0.427 346 I N 4.598 124.930 120.570 -0.397 0.000 2.392 346 I HA 0.161 4.331 4.170 -0.000 0.000 0.295 346 I C 0.718 176.633 176.117 -0.336 0.000 0.985 346 I CA -0.648 60.441 61.300 -0.352 0.000 1.221 346 I CB 1.773 39.618 38.000 -0.258 0.000 1.366 346 I HN 0.461 nan 8.210 nan 0.000 0.467 347 V N 3.028 122.728 119.914 -0.357 0.000 2.868 347 V HA 0.092 4.212 4.120 -0.000 0.000 0.227 347 V C 0.070 176.046 176.094 -0.198 0.000 1.136 347 V CA 0.176 62.313 62.300 -0.272 0.000 1.206 347 V CB 0.196 31.856 31.823 -0.273 0.000 0.997 347 V HN 0.992 nan 8.190 nan 0.000 0.505 348 C N 0.939 120.092 119.300 -0.245 0.000 0.923 348 C HA 0.315 4.775 4.460 -0.000 0.000 0.148 348 C C 0.086 174.941 174.990 -0.225 0.000 0.362 348 C CA -0.666 58.192 59.018 -0.266 0.000 2.023 348 C CB -2.419 25.202 27.740 -0.199 0.000 2.784 348 C HN 1.248 nan 8.230 nan 0.000 0.900 349 A N 3.369 126.016 122.820 -0.289 0.000 2.599 349 A HA 0.742 5.061 4.320 -0.000 0.000 0.294 349 A C -1.217 176.345 177.584 -0.036 0.000 1.055 349 A CA -0.687 51.294 52.037 -0.094 0.000 0.683 349 A CB 0.713 19.763 19.000 0.084 0.000 1.278 349 A HN 1.024 nan 8.150 nan 0.000 0.412 350 Y N 1.144 121.515 120.300 0.118 0.000 2.309 350 Y HA 0.316 4.866 4.550 -0.000 0.000 0.327 350 Y C -1.423 174.611 175.900 0.224 0.000 1.172 350 Y CA -1.029 57.154 58.100 0.139 0.000 1.280 350 Y CB 0.979 39.493 38.460 0.090 0.000 1.234 350 Y HN 0.533 nan 8.280 nan 0.000 0.512 351 P HA -0.202 nan 4.420 nan 0.000 0.216 351 P C 0.821 178.305 177.300 0.306 0.000 1.153 351 P CA 1.632 64.841 63.100 0.182 0.000 0.858 351 P CB 0.324 32.036 31.700 0.020 0.000 0.789 352 E N -0.525 119.801 120.200 0.211 0.000 2.331 352 E HA -0.117 4.233 4.350 -0.000 0.000 0.199 352 E C 1.483 178.158 176.600 0.125 0.000 1.008 352 E CA 1.196 57.669 56.400 0.122 0.000 0.843 352 E CB -1.045 28.673 29.700 0.031 0.000 0.761 352 E HN 0.325 nan 8.360 nan 0.000 0.507 353 S N -0.935 114.887 115.700 0.203 0.000 2.906 353 S HA 0.506 4.975 4.470 -0.000 0.000 0.234 353 S C 0.492 175.117 174.600 0.042 0.000 0.973 353 S CA 0.053 58.335 58.200 0.136 0.000 1.036 353 S CB -0.251 63.068 63.200 0.197 0.000 0.798 353 S HN 0.233 nan 8.310 nan 0.000 0.498 354 A N -0.491 122.340 122.820 0.018 0.000 2.343 354 A HA 0.699 5.019 4.320 -0.000 0.000 0.296 354 A C -0.235 177.297 177.584 -0.087 0.000 1.020 354 A CA -0.522 51.418 52.037 -0.162 0.000 0.579 354 A CB -0.228 18.418 19.000 -0.590 0.000 1.441 354 A HN 0.858 nan 8.150 nan 0.000 0.552 355 G N -1.319 107.401 108.800 -0.133 0.000 2.471 355 G HA2 0.567 4.527 3.960 -0.000 0.000 0.332 355 G HA3 0.567 4.527 3.960 -0.000 0.000 0.332 355 G C 0.385 175.277 174.900 -0.012 0.000 1.176 355 G CA -0.483 44.593 45.100 -0.040 0.000 0.949 355 G HN 0.767 nan 8.290 nan 0.000 0.488 356 L N 0.382 121.608 121.223 0.005 0.000 2.042 356 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 356 L C 3.006 179.903 176.870 0.044 0.000 1.076 356 L CA 2.359 57.167 54.840 -0.053 0.000 0.749 356 L CB -0.705 41.289 42.059 -0.108 0.000 0.893 356 L HN 0.898 nan 8.230 nan 0.000 0.432 357 E N -1.167 119.034 120.200 0.001 0.000 2.049 357 E HA -0.266 4.084 4.350 -0.000 0.000 0.198 357 E C 1.560 178.108 176.600 -0.086 0.000 1.007 357 E CA 1.645 58.001 56.400 -0.074 0.000 0.809 357 E CB -0.673 29.026 29.700 -0.002 0.000 0.749 357 E HN 0.492 nan 8.360 nan 0.000 0.450 358 D N 0.586 120.957 120.400 -0.048 0.000 2.104 358 D HA -0.178 4.461 4.640 -0.000 0.000 0.194 358 D C 2.061 178.337 176.300 -0.039 0.000 0.994 358 D CA 1.326 55.294 54.000 -0.053 0.000 0.830 358 D CB -0.423 40.296 40.800 -0.136 0.000 0.959 358 D HN 0.348 nan 8.370 nan 0.000 0.452 359 H N 0.939 120.038 119.070 0.047 0.000 2.290 359 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 359 H C 2.424 177.845 175.328 0.155 0.000 1.087 359 H CA 0.471 56.584 56.048 0.108 0.000 1.291 359 H CB -0.646 29.124 29.762 0.013 0.000 1.369 359 H HN 0.133 nan 8.280 nan 0.000 0.492 360 L N 0.836 122.253 121.223 0.323 0.000 2.081 360 L HA -0.267 4.072 4.340 -0.000 0.000 0.212 360 L C 2.514 179.320 176.870 -0.107 0.000 1.080 360 L CA 1.688 56.576 54.840 0.080 0.000 0.754 360 L CB -0.333 41.632 42.059 -0.156 0.000 0.893 360 L HN 0.366 nan 8.230 nan 0.000 0.433 361 Q N -0.313 119.439 119.800 -0.081 0.000 2.049 361 Q HA -0.195 4.145 4.340 -0.000 0.000 0.198 361 Q C 2.266 178.338 176.000 0.119 0.000 0.971 361 Q CA 1.303 57.157 55.803 0.084 0.000 0.833 361 Q CB 0.097 28.998 28.738 0.272 0.000 0.896 361 Q HN 0.513 nan 8.270 nan 0.000 0.434 362 I N 1.196 121.847 120.570 0.135 0.000 2.264 362 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 362 I C 2.332 178.575 176.117 0.211 0.000 1.111 362 I CA 1.301 62.708 61.300 0.178 0.000 1.382 362 I CB -0.962 37.164 38.000 0.210 0.000 1.060 362 I HN 0.332 nan 8.210 nan 0.000 0.418 363 I N 0.679 121.319 120.570 0.117 0.000 2.163 363 I HA -0.286 3.884 4.170 -0.000 0.000 0.240 363 I C 2.644 178.797 176.117 0.060 0.000 1.081 363 I CA 1.357 62.634 61.300 -0.039 0.000 1.353 363 I CB -0.478 37.321 38.000 -0.336 0.000 1.054 363 I HN 0.175 nan 8.210 nan 0.000 0.407 364 K N 0.626 120.984 120.400 -0.069 0.000 1.987 364 K HA -0.243 4.076 4.320 -0.000 0.000 0.216 364 K C 2.376 179.010 176.600 0.056 0.000 1.051 364 K CA 2.162 58.334 56.287 -0.190 0.000 0.942 364 K CB -0.398 31.915 32.500 -0.312 0.000 0.722 364 K HN 0.182 nan 8.250 nan 0.000 0.444 365 S N 0.957 116.721 115.700 0.108 0.000 2.378 365 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 365 S C 1.917 176.633 174.600 0.194 0.000 1.052 365 S CA 2.105 60.400 58.200 0.158 0.000 1.084 365 S CB -0.263 63.036 63.200 0.165 0.000 0.950 365 S HN 0.341 nan 8.310 nan 0.000 0.440 366 E N -0.204 120.137 120.200 0.236 0.000 2.274 366 E HA 0.044 4.394 4.350 -0.000 0.000 0.194 366 E C 1.887 178.668 176.600 0.302 0.000 0.996 366 E CA 0.834 57.383 56.400 0.249 0.000 0.840 366 E CB -0.115 29.736 29.700 0.253 0.000 0.772 366 E HN 0.658 nan 8.360 nan 0.000 0.491 367 I N 1.130 121.908 120.570 0.347 0.000 2.439 367 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 367 I C 1.661 177.964 176.117 0.311 0.000 1.139 367 I CA 0.512 62.038 61.300 0.377 0.000 1.438 367 I CB -0.202 38.069 38.000 0.451 0.000 1.085 367 I HN 0.128 nan 8.210 nan 0.000 0.427 368 N N 0.958 119.821 118.700 0.272 0.000 2.270 368 N HA -0.128 4.612 4.740 -0.000 0.000 0.181 368 N C 1.169 176.789 175.510 0.183 0.000 1.016 368 N CA 1.172 54.352 53.050 0.217 0.000 0.870 368 N CB -0.283 38.320 38.487 0.193 0.000 0.979 368 N HN 0.391 nan 8.380 nan 0.000 0.431 369 D N -0.711 119.809 120.400 0.200 0.000 2.323 369 D HA -0.039 4.601 4.640 -0.000 0.000 0.209 369 D C 0.913 177.370 176.300 0.261 0.000 0.973 369 D CA 0.342 54.456 54.000 0.190 0.000 0.874 369 D CB -0.051 40.852 40.800 0.170 0.000 0.930 369 D HN 0.212 nan 8.370 nan 0.000 0.521 370 F N 1.173 121.168 119.950 0.075 0.000 2.746 370 F HA 0.089 4.616 4.527 -0.000 0.000 0.313 370 F C -0.099 175.734 175.800 0.055 0.000 1.095 370 F CA -0.284 57.746 58.000 0.051 0.000 1.224 370 F CB 0.403 39.424 39.000 0.034 0.000 1.060 370 F HN -0.239 nan 8.300 nan 0.000 0.584 371 K N 0.241 120.709 120.400 0.114 0.000 3.177 371 K HA -0.208 4.111 4.320 -0.000 0.000 0.266 371 K C -2.751 173.838 176.600 -0.017 0.000 0.937 371 K CA 0.636 56.942 56.287 0.033 0.000 0.702 371 K CB -3.208 29.272 32.500 -0.032 0.000 1.365 371 K HN 0.195 nan 8.250 nan 0.000 0.466 372 P HA 0.107 nan 4.420 nan 0.000 0.270 372 P C 0.532 177.872 177.300 0.067 0.000 1.227 372 P CA 0.339 63.504 63.100 0.107 0.000 0.788 372 P CB 0.930 32.791 31.700 0.268 0.000 0.926 373 A N 1.391 124.237 122.820 0.043 0.000 2.229 373 A HA 0.192 4.511 4.320 -0.000 0.000 0.211 373 A C 0.756 178.377 177.584 0.061 0.000 1.193 373 A CA 0.520 52.576 52.037 0.032 0.000 0.879 373 A CB 0.076 19.071 19.000 -0.009 0.000 0.911 373 A HN 0.455 nan 8.150 nan 0.000 0.492 374 R N -1.250 119.299 120.500 0.081 0.000 2.771 374 R HA 0.774 5.114 4.340 -0.000 0.000 0.274 374 R C -1.815 174.615 176.300 0.218 0.000 0.987 374 R CA -0.451 55.729 56.100 0.133 0.000 0.908 374 R CB 2.050 32.315 30.300 -0.059 0.000 1.213 374 R HN 0.231 nan 8.270 nan 0.000 0.468 375 I N 0.604 121.349 120.570 0.292 0.000 2.827 375 I HA 0.590 4.760 4.170 -0.000 0.000 0.298 375 I C -1.420 174.777 176.117 0.134 0.000 1.235 375 I CA -0.601 60.849 61.300 0.251 0.000 1.021 375 I CB 2.368 40.535 38.000 0.278 0.000 1.259 375 I HN 0.790 nan 8.210 nan 0.000 0.427 376 A N 7.369 130.278 122.820 0.148 0.000 2.398 376 A HA 0.778 5.098 4.320 -0.000 0.000 0.301 376 A C -1.266 176.404 177.584 0.144 0.000 1.041 376 A CA -0.370 51.663 52.037 -0.005 0.000 0.711 376 A CB 1.145 20.194 19.000 0.081 0.000 1.240 376 A HN 0.569 nan 8.150 nan 0.000 0.420 377 I N 2.331 122.936 120.570 0.057 0.000 2.354 377 I HA 0.210 4.380 4.170 -0.000 0.000 0.286 377 I C -0.803 175.485 176.117 0.286 0.000 1.007 377 I CA -0.494 61.004 61.300 0.331 0.000 1.167 377 I CB 1.641 39.907 38.000 0.443 0.000 1.320 377 I HN 0.566 nan 8.210 nan 0.000 0.458 378 D N 5.686 126.278 120.400 0.321 0.000 2.365 378 D HA 0.147 4.787 4.640 -0.000 0.000 0.237 378 D C -0.059 176.414 176.300 0.288 0.000 1.190 378 D CA 0.736 54.885 54.000 0.249 0.000 0.867 378 D CB 0.662 41.581 40.800 0.198 0.000 1.050 378 D HN 0.530 nan 8.370 nan 0.000 0.491 379 S N 3.195 119.019 115.700 0.208 0.000 3.740 379 S HA -0.147 4.323 4.470 -0.000 0.000 0.713 379 S C 0.997 175.662 174.600 0.108 0.000 0.505 379 S CA -0.273 58.016 58.200 0.149 0.000 1.448 379 S CB -1.139 62.139 63.200 0.129 0.000 0.874 379 S HN 0.603 nan 8.310 nan 0.000 1.048 380 L N 3.643 124.953 121.223 0.146 0.000 2.109 380 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 380 L C 2.598 179.541 176.870 0.122 0.000 1.086 380 L CA 1.831 56.787 54.840 0.194 0.000 0.760 380 L CB -0.627 41.595 42.059 0.272 0.000 0.910 380 L HN 0.960 nan 8.230 nan 0.000 0.437 381 S N -0.080 115.646 115.700 0.042 0.000 2.419 381 S HA -0.189 4.281 4.470 -0.000 0.000 0.235 381 S C 1.920 176.425 174.600 -0.158 0.000 1.019 381 S CA 1.038 59.176 58.200 -0.103 0.000 0.982 381 S CB -0.299 62.873 63.200 -0.047 0.000 0.789 381 S HN 0.392 nan 8.310 nan 0.000 0.490 382 A N 1.034 123.803 122.820 -0.085 0.000 2.072 382 A HA 0.425 4.745 4.320 -0.000 0.000 0.216 382 A C 2.162 179.647 177.584 -0.166 0.000 1.156 382 A CA 0.462 52.453 52.037 -0.076 0.000 0.701 382 A CB -0.484 18.536 19.000 0.033 0.000 0.816 382 A HN 0.540 nan 8.150 nan 0.000 0.458 383 L N -0.958 120.113 121.223 -0.254 0.000 2.313 383 L HA -0.050 4.290 4.340 -0.000 0.000 0.214 383 L C 2.720 179.386 176.870 -0.340 0.000 1.119 383 L CA 0.755 55.377 54.840 -0.364 0.000 0.809 383 L CB -0.246 41.525 42.059 -0.480 0.000 0.933 383 L HN 0.423 nan 8.230 nan 0.000 0.449 384 A N -0.342 122.141 122.820 -0.562 0.000 2.206 384 A HA -0.042 4.278 4.320 -0.000 0.000 0.211 384 A C 1.085 178.412 177.584 -0.430 0.000 1.158 384 A CA 0.013 51.518 52.037 -0.886 0.000 0.761 384 A CB -0.354 17.719 19.000 -1.544 0.000 0.801 384 A HN 0.236 nan 8.150 nan 0.000 0.473 385 R N -0.350 119.982 120.500 -0.280 0.000 2.488 385 R HA 0.236 4.576 4.340 -0.000 0.000 0.317 385 R C 1.478 177.701 176.300 -0.130 0.000 0.941 385 R CA 0.857 56.857 56.100 -0.167 0.000 1.076 385 R CB -0.140 30.102 30.300 -0.097 0.000 0.917 385 R HN 0.637 nan 8.270 nan 0.000 0.407 386 G N 2.054 110.788 108.800 -0.111 0.000 3.909 386 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.218 386 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.218 386 G C 0.296 175.152 174.900 -0.072 0.000 1.404 386 G CA -0.068 44.986 45.100 -0.076 0.000 0.905 386 G HN 0.510 nan 8.290 nan 0.000 0.589 387 V N 2.856 122.724 119.914 -0.076 0.000 3.378 387 V HA 0.306 4.426 4.120 -0.000 0.000 0.289 387 V C 1.519 177.592 176.094 -0.035 0.000 1.269 387 V CA 0.921 63.194 62.300 -0.045 0.000 1.372 387 V CB 0.854 32.657 31.823 -0.034 0.000 1.017 387 V HN 1.606 nan 8.190 nan 0.000 0.518 388 S N 2.306 118.009 115.700 0.005 0.000 2.601 388 S HA 0.153 4.623 4.470 -0.000 0.000 0.271 388 S C 1.016 175.647 174.600 0.052 0.000 1.305 388 S CA -0.128 58.080 58.200 0.013 0.000 1.022 388 S CB 0.866 64.078 63.200 0.019 0.000 0.940 388 S HN 0.769 nan 8.310 nan 0.000 0.525 389 N N 1.804 120.530 118.700 0.043 0.000 2.104 389 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 389 N C 0.962 176.552 175.510 0.134 0.000 1.024 389 N CA 1.410 54.517 53.050 0.096 0.000 0.853 389 N CB -0.437 38.087 38.487 0.061 0.000 1.008 389 N HN 0.645 nan 8.380 nan 0.000 0.424 390 N N 0.922 119.670 118.700 0.080 0.000 2.244 390 N HA -0.066 4.674 4.740 -0.000 0.000 0.183 390 N C 1.603 177.154 175.510 0.068 0.000 1.016 390 N CA 0.938 54.025 53.050 0.063 0.000 0.866 390 N CB -0.429 38.079 38.487 0.035 0.000 0.980 390 N HN 0.287 nan 8.380 nan 0.000 0.430 391 A N 0.238 123.107 122.820 0.081 0.000 2.014 391 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 391 A C 1.978 179.642 177.584 0.132 0.000 1.163 391 A CA 0.573 52.660 52.037 0.083 0.000 0.652 391 A CB -0.607 18.432 19.000 0.065 0.000 0.808 391 A HN 0.246 nan 8.150 nan 0.000 0.449 392 F N 0.374 120.326 119.950 0.003 0.000 2.074 392 F HA -0.003 4.524 4.527 -0.000 0.000 0.293 392 F C 2.281 178.118 175.800 0.062 0.000 1.116 392 F CA 1.530 59.539 58.000 0.015 0.000 1.212 392 F CB -0.471 38.506 39.000 -0.038 0.000 0.998 392 F HN 0.090 nan 8.300 nan 0.000 0.471 393 R N 0.071 120.537 120.500 -0.057 0.000 2.119 393 R HA -0.268 4.072 4.340 -0.000 0.000 0.246 393 R C 2.444 178.638 176.300 -0.175 0.000 1.146 393 R CA 2.082 58.081 56.100 -0.169 0.000 0.962 393 R CB -0.612 29.673 30.300 -0.024 0.000 0.863 393 R HN 0.477 nan 8.270 nan 0.000 0.442 394 Q N -0.649 119.108 119.800 -0.072 0.000 2.170 394 Q HA -0.196 4.143 4.340 -0.000 0.000 0.203 394 Q C 1.767 177.720 176.000 -0.078 0.000 0.976 394 Q CA 1.385 57.158 55.803 -0.050 0.000 0.858 394 Q CB -0.027 28.715 28.738 0.007 0.000 0.907 394 Q HN 0.332 nan 8.270 nan 0.000 0.433 395 F N -0.353 119.454 119.950 -0.240 0.000 2.206 395 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 395 F C 1.764 177.351 175.800 -0.356 0.000 1.090 395 F CA 0.809 58.649 58.000 -0.268 0.000 1.323 395 F CB -0.157 38.695 39.000 -0.248 0.000 1.028 395 F HN -0.158 nan 8.300 nan 0.000 0.492 396 V N 1.026 120.634 119.914 -0.510 0.000 2.307 396 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 396 V C 2.488 178.281 176.094 -0.502 0.000 1.045 396 V CA 1.661 63.586 62.300 -0.625 0.000 1.024 396 V CB -0.624 30.826 31.823 -0.622 0.000 0.651 396 V HN 0.310 nan 8.190 nan 0.000 0.449 397 I N 1.063 121.430 120.570 -0.339 0.000 2.264 397 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 397 I C 2.594 178.581 176.117 -0.217 0.000 1.111 397 I CA 1.980 63.145 61.300 -0.225 0.000 1.382 397 I CB -2.044 35.876 38.000 -0.134 0.000 1.060 397 I HN 0.392 nan 8.210 nan 0.000 0.418 398 G N 0.850 109.483 108.800 -0.278 0.000 2.433 398 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 398 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 398 G C 1.824 176.559 174.900 -0.276 0.000 1.186 398 G CA 0.991 45.942 45.100 -0.248 0.000 0.779 398 G HN 0.287 nan 8.290 nan 0.000 0.543 399 V N 0.456 120.062 119.914 -0.513 0.000 2.453 399 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 399 V C 3.072 179.065 176.094 -0.169 0.000 1.048 399 V CA 2.149 64.218 62.300 -0.385 0.000 1.049 399 V CB -0.639 30.798 31.823 -0.643 0.000 0.672 399 V HN 0.360 nan 8.190 nan 0.000 0.457 400 T N 0.387 114.759 114.554 -0.304 0.000 2.674 400 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 400 T C 1.907 176.582 174.700 -0.041 0.000 1.039 400 T CA 1.832 63.807 62.100 -0.208 0.000 1.150 400 T CB -0.637 68.049 68.868 -0.302 0.000 0.864 400 T HN 0.613 nan 8.240 nan 0.000 0.427 401 G N -0.417 108.355 108.800 -0.047 0.000 2.446 401 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 401 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 401 G C 1.379 176.318 174.900 0.065 0.000 1.168 401 G CA 0.927 46.032 45.100 0.009 0.000 0.771 401 G HN 0.520 nan 8.290 nan 0.000 0.551 402 Y N 2.039 122.325 120.300 -0.024 0.000 2.053 402 Y HA -0.132 4.418 4.550 -0.000 0.000 0.277 402 Y C 3.013 178.938 175.900 0.043 0.000 1.159 402 Y CA 1.765 59.874 58.100 0.014 0.000 1.125 402 Y CB -0.635 37.830 38.460 0.008 0.000 0.969 402 Y HN 0.254 nan 8.280 nan 0.000 0.492 403 A N 0.047 122.949 122.820 0.135 0.000 1.908 403 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 403 A C 2.303 179.895 177.584 0.013 0.000 1.181 403 A CA 2.116 54.206 52.037 0.088 0.000 0.627 403 A CB -0.713 18.421 19.000 0.224 0.000 0.818 403 A HN 0.540 nan 8.150 nan 0.000 0.445 404 K N -0.529 119.884 120.400 0.022 0.000 2.026 404 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 404 K C 2.352 178.933 176.600 -0.031 0.000 1.048 404 K CA 1.714 58.006 56.287 0.008 0.000 0.929 404 K CB -0.189 32.317 32.500 0.009 0.000 0.713 404 K HN 0.849 nan 8.250 nan 0.000 0.439 405 Q N -0.097 119.665 119.800 -0.063 0.000 2.488 405 Q HA -0.099 4.241 4.340 -0.000 0.000 0.211 405 Q C 0.949 176.877 176.000 -0.120 0.000 0.967 405 Q CA 1.129 56.887 55.803 -0.076 0.000 0.926 405 Q CB 0.307 29.006 28.738 -0.066 0.000 0.992 405 Q HN 0.068 nan 8.270 nan 0.000 0.506 406 E N 0.796 120.891 120.200 -0.175 0.000 2.476 406 E HA 0.002 4.352 4.350 -0.000 0.000 0.196 406 E C -0.420 176.133 176.600 -0.079 0.000 1.029 406 E CA 0.074 56.361 56.400 -0.189 0.000 0.896 406 E CB 0.358 29.836 29.700 -0.371 0.000 1.012 406 E HN 0.282 nan 8.360 nan 0.000 0.475 407 E N -0.530 119.647 120.200 -0.039 0.000 3.286 407 E HA -0.239 4.111 4.350 -0.000 0.000 0.292 407 E C -0.415 176.205 176.600 0.033 0.000 0.928 407 E CA 0.689 57.092 56.400 0.004 0.000 0.982 407 E CB -2.051 27.650 29.700 0.001 0.000 1.500 407 E HN 0.401 nan 8.360 nan 0.000 0.441 408 I N 1.929 122.523 120.570 0.040 0.000 2.325 408 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 408 I C 0.882 177.075 176.117 0.127 0.000 1.019 408 I CA -0.197 61.155 61.300 0.087 0.000 1.302 408 I CB 1.049 39.113 38.000 0.106 0.000 1.401 408 I HN -0.221 nan 8.210 nan 0.000 0.485 409 T N 4.914 119.565 114.554 0.161 0.000 2.870 409 T HA 0.359 4.709 4.350 -0.000 0.000 0.300 409 T C 0.425 175.267 174.700 0.237 0.000 0.989 409 T CA -0.497 61.736 62.100 0.221 0.000 1.139 409 T CB 0.957 70.009 68.868 0.308 0.000 0.920 409 T HN 0.831 nan 8.240 nan 0.000 0.537 410 G N 2.059 110.931 108.800 0.119 0.000 2.530 410 G HA2 0.581 4.541 3.960 -0.000 0.000 0.316 410 G HA3 0.581 4.541 3.960 -0.000 0.000 0.316 410 G C -1.413 173.215 174.900 -0.453 0.000 1.298 410 G CA -0.616 44.397 45.100 -0.144 0.000 0.948 410 G HN 0.655 nan 8.290 nan 0.000 0.486 411 L N 2.447 123.177 121.223 -0.821 0.000 2.319 411 L HA 0.800 5.140 4.340 -0.000 0.000 0.281 411 L C -1.551 174.831 176.870 -0.813 0.000 1.005 411 L CA -1.031 53.303 54.840 -0.842 0.000 0.828 411 L CB 0.576 41.903 42.059 -1.219 0.000 1.227 411 L HN 0.355 nan 8.230 nan 0.000 0.415 412 F N 2.366 122.225 119.950 -0.151 0.000 2.520 412 F HA 0.579 5.106 4.527 -0.000 0.000 0.322 412 F C 0.609 176.380 175.800 -0.049 0.000 1.103 412 F CA -0.659 57.308 58.000 -0.055 0.000 0.926 412 F CB 2.210 41.188 39.000 -0.036 0.000 1.154 412 F HN 0.283 nan 8.300 nan 0.000 0.453 413 T N 2.167 116.827 114.554 0.177 0.000 2.829 413 T HA 0.359 4.709 4.350 -0.000 0.000 0.282 413 T C -0.982 173.787 174.700 0.115 0.000 0.990 413 T CA -0.543 61.623 62.100 0.111 0.000 1.028 413 T CB 0.718 69.647 68.868 0.102 0.000 0.951 413 T HN 0.550 nan 8.240 nan 0.000 0.460 414 N N 1.395 120.138 118.700 0.072 0.000 2.430 414 N HA 0.324 5.064 4.740 -0.000 0.000 0.290 414 N C -1.228 174.302 175.510 0.032 0.000 1.063 414 N CA -0.440 52.642 53.050 0.054 0.000 0.883 414 N CB 1.443 39.956 38.487 0.042 0.000 1.465 414 N HN 0.348 nan 8.380 nan 0.000 0.493 415 T N 1.699 116.271 114.554 0.031 0.000 2.743 415 T HA 0.317 4.667 4.350 -0.000 0.000 0.293 415 T C 0.208 174.917 174.700 0.016 0.000 0.945 415 T CA -0.481 61.639 62.100 0.033 0.000 1.030 415 T CB 0.257 69.152 68.868 0.045 0.000 0.912 415 T HN 0.582 nan 8.240 nan 0.000 0.483 416 S N 2.523 118.235 115.700 0.020 0.000 2.580 416 S HA 0.177 4.647 4.470 -0.000 0.000 0.274 416 S C 0.729 175.346 174.600 0.027 0.000 1.329 416 S CA -0.706 57.498 58.200 0.006 0.000 1.036 416 S CB 0.862 64.059 63.200 -0.005 0.000 0.919 416 S HN 0.538 nan 8.310 nan 0.000 0.515 417 D N 1.028 121.433 120.400 0.008 0.000 2.310 417 D HA -0.015 4.625 4.640 -0.000 0.000 0.212 417 D C 0.649 176.982 176.300 0.055 0.000 0.965 417 D CA 0.971 54.984 54.000 0.022 0.000 0.879 417 D CB 0.056 40.852 40.800 -0.006 0.000 0.921 417 D HN 0.867 nan 8.370 nan 0.000 0.510 418 Q N 0.323 120.150 119.800 0.045 0.000 2.274 418 Q HA 0.289 4.629 4.340 -0.000 0.000 0.268 418 Q C -0.666 175.368 176.000 0.056 0.000 1.015 418 Q CA -1.051 54.773 55.803 0.036 0.000 0.775 418 Q CB 0.974 29.672 28.738 -0.066 0.000 1.256 418 Q HN -0.007 nan 8.270 nan 0.000 0.442 419 F N 2.182 122.151 119.950 0.033 0.000 2.484 419 F HA 0.485 5.012 4.527 -0.000 0.000 0.360 419 F C 0.068 175.894 175.800 0.043 0.000 1.101 419 F CA -0.895 57.155 58.000 0.083 0.000 1.251 419 F CB 0.475 39.545 39.000 0.116 0.000 1.132 419 F HN 0.669 nan 8.300 nan 0.000 0.570 420 M N 3.683 123.317 119.600 0.056 0.000 4.047 420 M HA -0.138 4.342 4.480 -0.000 0.000 0.157 420 M C 0.828 176.977 176.300 -0.251 0.000 1.532 420 M CA 1.092 56.328 55.300 -0.106 0.000 1.097 420 M CB -1.636 30.892 32.600 -0.119 0.000 1.346 420 M HN 1.626 nan 8.290 nan 0.000 0.191 421 G N 0.718 109.384 108.800 -0.224 0.000 2.213 421 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.236 421 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.236 421 G C 0.288 174.968 174.900 -0.367 0.000 0.991 421 G CA 0.191 45.102 45.100 -0.315 0.000 0.629 421 G HN 2.049 nan 8.290 nan 0.000 0.517 422 A N 0.571 123.255 122.820 -0.226 0.000 2.583 422 A HA 0.351 4.671 4.320 -0.000 0.000 0.249 422 A C 1.005 178.479 177.584 -0.184 0.000 1.035 422 A CA 1.175 53.121 52.037 -0.152 0.000 0.777 422 A CB -0.153 18.792 19.000 -0.092 0.000 0.942 422 A HN 0.516 nan 8.150 nan 0.000 0.516 423 H N 1.159 120.206 119.070 -0.039 0.000 2.551 423 H HA 0.173 4.729 4.556 -0.000 0.000 0.271 423 H C 0.339 175.654 175.328 -0.022 0.000 0.984 423 H CA 1.006 57.038 56.048 -0.027 0.000 1.164 423 H CB 0.289 30.042 29.762 -0.016 0.000 1.437 423 H HN 0.794 nan 8.280 nan 0.000 0.550 424 S N -1.010 114.733 115.700 0.071 0.000 2.540 424 S HA 0.254 4.724 4.470 -0.000 0.000 0.275 424 S C 0.818 175.393 174.600 -0.041 0.000 1.123 424 S CA -0.738 57.486 58.200 0.040 0.000 0.907 424 S CB 1.503 64.769 63.200 0.110 0.000 1.081 424 S HN -0.152 nan 8.310 nan 0.000 0.476 425 I N 2.261 122.770 120.570 -0.102 0.000 2.091 425 I HA -0.067 4.103 4.170 -0.000 0.000 0.239 425 I C 1.333 177.404 176.117 -0.078 0.000 1.061 425 I CA 1.827 63.025 61.300 -0.171 0.000 1.317 425 I CB -0.469 37.400 38.000 -0.218 0.000 1.031 425 I HN 0.793 nan 8.210 nan 0.000 0.401 426 T N -0.014 114.530 114.554 -0.018 0.000 2.887 426 T HA 0.201 4.551 4.350 -0.000 0.000 0.288 426 T C 0.384 175.052 174.700 -0.053 0.000 1.021 426 T CA -0.616 61.472 62.100 -0.020 0.000 1.000 426 T CB 1.899 70.769 68.868 0.004 0.000 1.034 426 T HN 0.059 nan 8.240 nan 0.000 0.467 427 D N 1.213 121.541 120.400 -0.119 0.000 2.194 427 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 427 D C 2.042 178.038 176.300 -0.507 0.000 0.964 427 D CA 1.050 54.919 54.000 -0.218 0.000 0.846 427 D CB 0.097 40.812 40.800 -0.142 0.000 0.962 427 D HN 0.581 nan 8.370 nan 0.000 0.490 428 S N -0.143 115.357 115.700 -0.333 0.000 2.593 428 S HA -0.072 4.398 4.470 -0.000 0.000 0.217 428 S C 0.172 174.633 174.600 -0.231 0.000 0.966 428 S CA -0.164 57.873 58.200 -0.273 0.000 0.914 428 S CB -0.280 62.951 63.200 0.051 0.000 0.776 428 S HN 0.178 nan 8.310 nan 0.000 0.523 429 H N 0.848 119.950 119.070 0.053 0.000 2.929 429 H HA -0.078 4.478 4.556 -0.000 0.000 0.341 429 H C -0.254 175.088 175.328 0.024 0.000 1.258 429 H CA 0.509 56.576 56.048 0.032 0.000 1.185 429 H CB -2.495 27.282 29.762 0.025 0.000 1.553 429 H HN 0.363 nan 8.280 nan 0.000 0.438 434 T N -0.293 114.240 114.554 -0.035 0.000 2.885 434 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 434 T C 0.498 175.201 174.700 0.004 0.000 1.019 434 T CA -0.332 61.755 62.100 -0.022 0.000 1.010 434 T CB 1.420 70.275 68.868 -0.021 0.000 1.022 434 T HN 0.028 nan 8.240 nan 0.000 0.466 435 D N 2.103 122.510 120.400 0.013 0.000 2.162 435 D HA 0.080 4.720 4.640 -0.000 0.000 0.205 435 D C 0.272 176.592 176.300 0.032 0.000 0.964 435 D CA 1.001 55.020 54.000 0.032 0.000 0.847 435 D CB 0.378 41.211 40.800 0.055 0.000 0.988 435 D HN 0.461 nan 8.370 nan 0.000 0.480 436 T N 1.053 115.599 114.554 -0.012 0.000 2.841 436 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 436 T C 0.007 174.664 174.700 -0.071 0.000 0.991 436 T CA -0.453 61.616 62.100 -0.051 0.000 0.966 436 T CB 2.017 70.816 68.868 -0.114 0.000 0.962 436 T HN -0.130 nan 8.240 nan 0.000 0.438 437 I N 4.418 124.968 120.570 -0.032 0.000 2.354 437 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 437 I C -0.599 175.526 176.117 0.013 0.000 1.007 437 I CA -0.842 60.465 61.300 0.011 0.000 1.167 437 I CB 1.006 39.079 38.000 0.123 0.000 1.320 437 I HN 0.355 nan 8.210 nan 0.000 0.458 438 I N 7.393 127.948 120.570 -0.025 0.000 2.315 438 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 438 I C -0.360 175.744 176.117 -0.021 0.000 1.006 438 I CA -0.713 60.578 61.300 -0.017 0.000 1.265 438 I CB 1.324 39.309 38.000 -0.026 0.000 1.387 438 I HN 0.335 nan 8.210 nan 0.000 0.475 439 L N 8.509 129.732 121.223 -0.002 0.000 2.325 439 L HA 0.566 4.906 4.340 -0.000 0.000 0.281 439 L C -1.172 175.697 176.870 -0.001 0.000 1.004 439 L CA -0.201 54.623 54.840 -0.025 0.000 0.823 439 L CB 1.232 43.261 42.059 -0.050 0.000 1.236 439 L HN 0.351 nan 8.230 nan 0.000 0.415 440 L N 5.606 126.822 121.223 -0.011 0.000 2.309 440 L HA 0.660 5.000 4.340 -0.000 0.000 0.282 440 L C -0.430 176.418 176.870 -0.036 0.000 1.036 440 L CA -0.574 54.285 54.840 0.032 0.000 0.806 440 L CB 1.636 43.716 42.059 0.036 0.000 1.220 440 L HN 0.806 nan 8.230 nan 0.000 0.429 441 Q N 1.837 121.615 119.800 -0.036 0.000 2.377 441 Q HA 0.452 4.792 4.340 -0.000 0.000 0.279 441 Q C -1.804 174.102 176.000 -0.156 0.000 1.049 441 Q CA -0.905 54.831 55.803 -0.112 0.000 0.825 441 Q CB 1.649 30.365 28.738 -0.036 0.000 1.401 441 Q HN 0.408 nan 8.270 nan 0.000 0.404 442 Y N 0.655 120.966 120.300 0.018 0.000 2.309 442 Y HA 0.521 5.071 4.550 -0.000 0.000 0.327 442 Y C -0.192 175.662 175.900 -0.076 0.000 1.172 442 Y CA -0.494 57.595 58.100 -0.017 0.000 1.280 442 Y CB 1.630 40.109 38.460 0.032 0.000 1.234 442 Y HN 0.404 nan 8.280 nan 0.000 0.512 443 V N 2.750 122.689 119.914 0.041 0.000 2.577 443 V HA 0.182 4.302 4.120 -0.000 0.000 0.303 443 V C -0.498 175.518 176.094 -0.130 0.000 1.042 443 V CA -1.291 60.909 62.300 -0.167 0.000 0.872 443 V CB 1.672 33.204 31.823 -0.485 0.000 0.998 443 V HN 0.726 nan 8.190 nan 0.000 0.423 444 E N 5.379 125.501 120.200 -0.131 0.000 2.052 444 E HA 0.345 4.695 4.350 -0.000 0.000 0.283 444 E C -1.322 175.191 176.600 -0.145 0.000 1.071 444 E CA -0.387 55.958 56.400 -0.092 0.000 0.851 444 E CB 0.675 30.343 29.700 -0.053 0.000 1.066 444 E HN 0.491 nan 8.360 nan 0.000 0.396 445 I N 4.971 125.473 120.570 -0.114 0.000 2.410 445 I HA 0.229 4.399 4.170 -0.000 0.000 0.286 445 I C 0.269 176.389 176.117 0.005 0.000 1.009 445 I CA -0.615 60.629 61.300 -0.094 0.000 1.111 445 I CB 1.262 39.209 38.000 -0.088 0.000 1.262 445 I HN 0.740 nan 8.210 nan 0.000 0.443 446 R N 3.957 124.481 120.500 0.040 0.000 3.205 446 R HA -0.214 4.126 4.340 -0.000 0.000 0.249 446 R C 1.028 177.343 176.300 0.025 0.000 0.937 446 R CA 0.698 56.827 56.100 0.050 0.000 0.641 446 R CB -1.586 28.755 30.300 0.069 0.000 1.114 446 R HN 1.147 nan 8.270 nan 0.000 0.451 447 G N -0.574 108.233 108.800 0.011 0.000 2.187 447 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.261 447 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.261 447 G C -0.070 174.825 174.900 -0.008 0.000 1.000 447 G CA 0.940 46.041 45.100 0.002 0.000 0.718 447 G HN 0.563 nan 8.290 nan 0.000 0.519 448 E N -0.937 119.258 120.200 -0.010 0.000 2.393 448 E HA 0.546 4.895 4.350 -0.000 0.000 0.273 448 E C -0.076 176.508 176.600 -0.026 0.000 0.918 448 E CA -1.121 55.269 56.400 -0.016 0.000 0.773 448 E CB 0.982 30.682 29.700 -0.001 0.000 1.275 448 E HN 0.076 nan 8.360 nan 0.000 0.451 449 M N 2.540 122.118 119.600 -0.037 0.000 2.206 449 M HA 0.223 4.703 4.480 -0.000 0.000 0.353 449 M C -0.363 175.955 176.300 0.029 0.000 1.242 449 M CA -0.228 55.051 55.300 -0.034 0.000 1.179 449 M CB -0.002 32.513 32.600 -0.143 0.000 1.374 449 M HN 0.454 nan 8.290 nan 0.000 0.427 450 S N 3.212 118.935 115.700 0.039 0.000 2.713 450 S HA 0.836 5.306 4.470 -0.000 0.000 0.283 450 S C -0.097 174.527 174.600 0.040 0.000 1.161 450 S CA -0.989 57.232 58.200 0.034 0.000 0.999 450 S CB 1.922 65.162 63.200 0.066 0.000 1.039 450 S HN 0.622 nan 8.310 nan 0.000 0.548 451 R N -0.203 120.223 120.500 -0.122 0.000 2.782 451 R HA 0.925 5.265 4.340 -0.000 0.000 0.258 451 R C -0.552 175.718 176.300 -0.051 0.000 1.055 451 R CA -0.344 55.577 56.100 -0.298 0.000 1.065 451 R CB 1.382 31.067 30.300 -1.025 0.000 1.172 451 R HN 0.987 nan 8.270 nan 0.000 0.510 452 A N 0.556 123.481 122.820 0.175 0.000 2.604 452 A HA 0.669 4.989 4.320 -0.000 0.000 0.295 452 A C -1.628 176.255 177.584 0.497 0.000 1.067 452 A CA -0.579 51.725 52.037 0.446 0.000 0.683 452 A CB 1.300 20.526 19.000 0.376 0.000 1.281 452 A HN 0.646 nan 8.150 nan 0.000 0.407 453 I N 0.945 121.727 120.570 0.352 0.000 2.730 453 I HA 0.694 4.864 4.170 -0.000 0.000 0.298 453 I C -1.244 174.925 176.117 0.086 0.000 1.089 453 I CA -0.681 60.679 61.300 0.100 0.000 1.041 453 I CB 2.231 40.095 38.000 -0.227 0.000 1.235 453 I HN 0.830 nan 8.210 nan 0.000 0.423 454 N N 4.629 123.365 118.700 0.060 0.000 2.324 454 N HA 0.389 5.129 4.740 -0.000 0.000 0.285 454 N C -1.926 173.614 175.510 0.051 0.000 1.076 454 N CA -0.462 52.636 53.050 0.082 0.000 0.864 454 N CB 2.351 40.927 38.487 0.149 0.000 1.632 454 N HN 0.240 nan 8.380 nan 0.000 0.478 455 V N 5.090 125.004 119.914 0.001 0.000 2.304 455 V HA 0.219 4.339 4.120 -0.000 0.000 0.262 455 V C 0.787 176.752 176.094 -0.214 0.000 1.061 455 V CA -0.334 61.901 62.300 -0.108 0.000 0.872 455 V CB -0.290 31.446 31.823 -0.145 0.000 1.077 455 V HN 0.738 nan 8.190 nan 0.000 0.480 456 F N 4.923 124.736 119.950 -0.229 0.000 2.146 456 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 456 F C 1.222 176.846 175.800 -0.293 0.000 1.096 456 F CA 1.373 59.262 58.000 -0.185 0.000 1.275 456 F CB 0.308 39.248 39.000 -0.100 0.000 1.008 456 F HN 0.502 nan 8.300 nan 0.000 0.480 457 K N -0.772 119.416 120.400 -0.353 0.000 2.597 457 K HA 0.492 4.812 4.320 -0.000 0.000 0.282 457 K C -1.582 174.850 176.600 -0.279 0.000 0.975 457 K CA -0.841 55.215 56.287 -0.384 0.000 0.867 457 K CB 1.717 34.146 32.500 -0.118 0.000 1.465 457 K HN 0.052 nan 8.250 nan 0.000 0.417 458 M N 2.621 122.152 119.600 -0.116 0.000 2.255 458 M HA 0.290 4.770 4.480 -0.000 0.000 0.275 458 M C 0.071 176.473 176.300 0.171 0.000 1.050 458 M CA -0.615 54.727 55.300 0.069 0.000 0.978 458 M CB 2.273 34.949 32.600 0.127 0.000 1.761 458 M HN 0.832 nan 8.290 nan 0.000 0.479 459 R N 1.156 121.758 120.500 0.170 0.000 2.066 459 R HA -0.019 4.321 4.340 -0.000 0.000 0.232 459 R C 1.682 178.082 176.300 0.167 0.000 1.131 459 R CA 2.143 58.326 56.100 0.138 0.000 0.955 459 R CB 0.010 30.356 30.300 0.077 0.000 0.851 459 R HN 0.869 nan 8.270 nan 0.000 0.432 460 G N -0.900 108.075 108.800 0.291 0.000 2.796 460 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.210 460 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.210 460 G C 0.452 175.629 174.900 0.462 0.000 1.146 460 G CA -0.020 45.236 45.100 0.259 0.000 0.779 460 G HN 0.273 nan 8.290 nan 0.000 0.535 461 S N -1.269 114.745 115.700 0.523 0.000 2.647 461 S HA 0.404 4.874 4.470 -0.000 0.000 0.284 461 S C 0.607 175.392 174.600 0.308 0.000 1.134 461 S CA -0.119 58.304 58.200 0.372 0.000 1.027 461 S CB 0.894 64.216 63.200 0.203 0.000 1.180 461 S HN 0.410 nan 8.310 nan 0.000 0.521 462 W N 1.055 122.396 121.300 0.068 0.000 2.842 462 W HA 0.236 4.896 4.660 -0.000 0.000 0.267 462 W C 0.288 176.678 176.519 -0.216 0.000 1.219 462 W CA 1.032 58.347 57.345 -0.050 0.000 1.458 462 W CB -0.624 28.804 29.460 -0.054 0.000 1.006 462 W HN 1.112 nan 8.180 nan 0.000 0.603 463 H N 0.820 119.550 119.070 -0.568 0.000 2.822 463 H HA -0.273 4.282 4.556 -0.000 0.000 0.293 463 H C -0.552 173.651 175.328 -1.875 0.000 0.886 463 H CA 0.669 56.102 56.048 -1.025 0.000 1.187 463 H CB -1.031 28.474 29.762 -0.429 0.000 1.062 463 H HN 0.212 nan 8.280 nan 0.000 0.713 464 D N 1.475 121.242 120.400 -1.056 0.000 2.345 464 D HA 0.118 4.758 4.640 -0.000 0.000 0.247 464 D C 0.448 176.615 176.300 -0.222 0.000 1.108 464 D CA -0.549 53.111 54.000 -0.567 0.000 0.894 464 D CB 0.762 41.486 40.800 -0.128 0.000 1.203 464 D HN 0.547 nan 8.370 nan 0.000 0.430 465 K N 1.782 122.085 120.400 -0.162 0.000 2.397 465 K HA 0.336 4.656 4.320 -0.000 0.000 0.202 465 K C 0.100 176.716 176.600 0.028 0.000 1.022 465 K CA -0.424 55.839 56.287 -0.041 0.000 1.141 465 K CB 0.316 32.777 32.500 -0.066 0.000 0.857 465 K HN 0.317 nan 8.250 nan 0.000 0.514 466 A N 1.240 124.085 122.820 0.042 0.000 2.302 466 A HA 0.584 4.904 4.320 -0.000 0.000 0.285 466 A C -0.116 177.529 177.584 0.102 0.000 1.105 466 A CA -0.571 51.512 52.037 0.078 0.000 0.816 466 A CB 0.250 19.294 19.000 0.072 0.000 1.067 466 A HN 0.260 nan 8.150 nan 0.000 0.489 467 I N 2.396 123.056 120.570 0.151 0.000 2.307 467 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 467 I C 0.293 176.549 176.117 0.231 0.000 1.054 467 I CA 0.058 61.481 61.300 0.205 0.000 1.218 467 I CB 0.521 38.669 38.000 0.246 0.000 1.398 467 I HN 0.594 nan 8.210 nan 0.000 0.475 468 R N 5.065 125.664 120.500 0.165 0.000 2.297 468 R HA 0.293 4.633 4.340 -0.000 0.000 0.308 468 R C 0.042 176.435 176.300 0.155 0.000 1.029 468 R CA -0.706 55.445 56.100 0.085 0.000 0.929 468 R CB 1.480 31.813 30.300 0.054 0.000 1.046 468 R HN 0.573 nan 8.270 nan 0.000 0.461 469 E N 3.419 123.566 120.200 -0.089 0.000 2.390 469 E HA 0.191 4.541 4.350 -0.000 0.000 0.261 469 E C -1.032 175.682 176.600 0.191 0.000 1.076 469 E CA -0.402 56.014 56.400 0.027 0.000 0.905 469 E CB 0.598 30.090 29.700 -0.347 0.000 0.984 469 E HN 0.455 nan 8.360 nan 0.000 0.427 470 F N 1.200 121.168 119.950 0.029 0.000 2.678 470 F HA 0.485 5.012 4.527 -0.000 0.000 0.308 470 F C -1.444 174.370 175.800 0.022 0.000 1.118 470 F CA -1.304 56.700 58.000 0.006 0.000 0.959 470 F CB 0.949 39.945 39.000 -0.007 0.000 1.305 470 F HN 0.557 nan 8.300 nan 0.000 0.443 471 M N 2.844 122.486 119.600 0.070 0.000 2.777 471 M HA 0.811 5.291 4.480 -0.000 0.000 0.307 471 M C -1.907 174.452 176.300 0.100 0.000 1.228 471 M CA -0.624 54.658 55.300 -0.030 0.000 0.871 471 M CB 2.299 34.906 32.600 0.012 0.000 1.721 471 M HN 0.590 nan 8.290 nan 0.000 0.487 472 I N 1.627 122.231 120.570 0.057 0.000 2.466 472 I HA 0.619 4.789 4.170 -0.000 0.000 0.289 472 I C -0.505 175.680 176.117 0.113 0.000 1.026 472 I CA -0.306 61.057 61.300 0.105 0.000 1.078 472 I CB 2.241 40.317 38.000 0.127 0.000 1.249 472 I HN 1.106 nan 8.210 nan 0.000 0.429 473 S N 2.668 118.439 115.700 0.118 0.000 3.081 473 S HA 0.425 4.895 4.470 -0.000 0.000 0.316 473 S C 0.211 174.919 174.600 0.181 0.000 1.089 473 S CA -0.702 57.571 58.200 0.122 0.000 0.897 473 S CB 1.222 64.466 63.200 0.074 0.000 1.358 473 S HN 0.564 nan 8.310 nan 0.000 0.678 474 D N 0.571 121.046 120.400 0.125 0.000 2.289 474 D HA 0.070 4.710 4.640 -0.000 0.000 0.207 474 D C 1.204 177.565 176.300 0.102 0.000 0.966 474 D CA 0.566 54.642 54.000 0.127 0.000 0.868 474 D CB -0.073 40.756 40.800 0.047 0.000 0.943 474 D HN 0.456 nan 8.370 nan 0.000 0.514 475 K N 0.721 121.160 120.400 0.065 0.000 2.365 475 K HA 0.166 4.486 4.320 -0.000 0.000 0.199 475 K C 1.267 177.878 176.600 0.019 0.000 1.045 475 K CA 0.529 56.833 56.287 0.029 0.000 0.962 475 K CB 0.488 32.998 32.500 0.017 0.000 0.759 475 K HN 0.165 nan 8.250 nan 0.000 0.469 476 G N 1.466 110.282 108.800 0.027 0.000 2.378 476 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.198 476 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.198 476 G C -3.020 171.838 174.900 -0.070 0.000 1.223 476 G CA -0.916 44.133 45.100 -0.086 0.000 1.088 476 G HN -0.060 nan 8.290 nan 0.000 0.530 477 P HA 0.414 nan 4.420 nan 0.000 0.287 477 P C -1.455 175.859 177.300 0.023 0.000 1.294 477 P CA 0.271 63.364 63.100 -0.011 0.000 0.776 477 P CB 1.595 33.217 31.700 -0.131 0.000 0.889 478 D N 3.661 124.127 120.400 0.110 0.000 2.414 478 D HA 0.305 4.945 4.640 -0.000 0.000 0.232 478 D C -0.312 176.061 176.300 0.121 0.000 1.070 478 D CA -0.554 53.493 54.000 0.078 0.000 0.839 478 D CB 0.285 41.122 40.800 0.063 0.000 1.079 478 D HN 0.208 nan 8.370 nan 0.000 0.521 479 I N 4.570 125.174 120.570 0.057 0.000 2.291 479 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 479 I C 1.112 177.257 176.117 0.046 0.000 1.064 479 I CA -0.443 60.897 61.300 0.067 0.000 1.269 479 I CB 0.733 38.725 38.000 -0.013 0.000 1.418 479 I HN 0.244 nan 8.210 nan 0.000 0.485 480 K N 4.224 124.656 120.400 0.052 0.000 2.958 480 K HA 0.310 4.630 4.320 -0.000 0.000 0.304 480 K C -0.148 176.430 176.600 -0.036 0.000 0.995 480 K CA -0.640 55.647 56.287 -0.000 0.000 1.492 480 K CB 0.356 32.846 32.500 -0.018 0.000 1.842 480 K HN 0.446 nan 8.250 nan 0.000 0.725 481 D N 0.486 120.829 120.400 -0.094 0.000 2.385 481 D HA 0.119 4.758 4.640 -0.000 0.000 0.254 481 D C -0.184 175.970 176.300 -0.243 0.000 1.053 481 D CA -0.187 53.743 54.000 -0.117 0.000 0.992 481 D CB 1.514 42.262 40.800 -0.087 0.000 1.145 481 D HN 0.446 nan 8.370 nan 0.000 0.523 482 S N -0.606 115.006 115.700 -0.147 0.000 2.624 482 S HA 0.236 4.706 4.470 -0.000 0.000 0.263 482 S C 0.004 174.486 174.600 -0.197 0.000 1.287 482 S CA -0.470 57.656 58.200 -0.124 0.000 0.990 482 S CB 0.207 63.435 63.200 0.046 0.000 0.950 482 S HN 0.320 nan 8.310 nan 0.000 0.561 483 F N 0.697 120.740 119.950 0.155 0.000 2.753 483 F HA 0.464 4.991 4.527 -0.000 0.000 0.314 483 F C 1.804 177.783 175.800 0.298 0.000 1.215 483 F CA -0.783 57.389 58.000 0.287 0.000 1.243 483 F CB -0.253 38.891 39.000 0.241 0.000 1.400 483 F HN 0.672 nan 8.300 nan 0.000 0.548 484 R N 1.701 122.355 120.500 0.257 0.000 2.133 484 R HA -0.223 4.117 4.340 -0.000 0.000 0.247 484 R C 1.196 177.576 176.300 0.134 0.000 1.151 484 R CA 2.015 58.217 56.100 0.170 0.000 0.971 484 R CB -0.107 30.246 30.300 0.089 0.000 0.866 484 R HN 0.446 nan 8.270 nan 0.000 0.447 485 N N -0.336 118.404 118.700 0.066 0.000 2.389 485 N HA 0.011 4.751 4.740 -0.000 0.000 0.237 485 N C -0.946 174.337 175.510 -0.378 0.000 1.148 485 N CA 0.219 53.178 53.050 -0.151 0.000 0.854 485 N CB -0.126 38.219 38.487 -0.238 0.000 1.115 485 N HN 0.047 nan 8.380 nan 0.000 0.492 486 F N -0.047 119.970 119.950 0.111 0.000 2.577 486 F HA 0.442 4.969 4.527 -0.000 0.000 0.318 486 F C 0.544 176.379 175.800 0.059 0.000 1.065 486 F CA -1.078 56.973 58.000 0.084 0.000 0.929 486 F CB 2.195 41.253 39.000 0.096 0.000 1.237 486 F HN -0.127 nan 8.300 nan 0.000 0.468 487 E N 0.370 120.737 120.200 0.279 0.000 2.281 487 E HA 0.506 4.856 4.350 -0.000 0.000 0.262 487 E C -0.649 176.021 176.600 0.116 0.000 0.933 487 E CA -0.719 55.774 56.400 0.155 0.000 0.809 487 E CB 1.155 30.919 29.700 0.106 0.000 1.242 487 E HN 0.518 nan 8.360 nan 0.000 0.418 488 R N 1.716 122.260 120.500 0.074 0.000 3.387 488 R HA -0.248 4.092 4.340 -0.000 0.000 0.254 488 R C 0.889 177.184 176.300 -0.009 0.000 1.006 488 R CA 0.379 56.500 56.100 0.036 0.000 0.677 488 R CB -2.103 28.214 30.300 0.028 0.000 1.063 488 R HN 0.659 nan 8.270 nan 0.000 0.453 489 I N 0.144 120.706 120.570 -0.014 0.000 2.099 489 I HA -0.339 3.831 4.170 -0.000 0.000 0.239 489 I C 2.531 178.584 176.117 -0.107 0.000 1.066 489 I CA 1.416 62.641 61.300 -0.126 0.000 1.324 489 I CB -0.291 37.649 38.000 -0.099 0.000 1.037 489 I HN 0.246 nan 8.210 nan 0.000 0.401 490 I N 1.310 121.859 120.570 -0.035 0.000 2.182 490 I HA -0.374 3.796 4.170 -0.000 0.000 0.248 490 I C 2.868 178.944 176.117 -0.067 0.000 1.073 490 I CA 2.320 63.607 61.300 -0.022 0.000 1.335 490 I CB -1.090 36.930 38.000 0.034 0.000 1.031 490 I HN 0.391 nan 8.210 nan 0.000 0.420 491 S N -0.302 115.356 115.700 -0.069 0.000 2.447 491 S HA 0.015 4.485 4.470 -0.000 0.000 0.233 491 S C 1.853 176.387 174.600 -0.111 0.000 1.006 491 S CA 1.287 59.427 58.200 -0.100 0.000 0.957 491 S CB -0.096 63.067 63.200 -0.061 0.000 0.773 491 S HN 0.692 nan 8.310 nan 0.000 0.507 492 G N -0.018 108.718 108.800 -0.107 0.000 2.279 492 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.223 492 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.223 492 G C 0.364 175.196 174.900 -0.114 0.000 1.015 492 G CA 0.112 45.152 45.100 -0.100 0.000 0.621 492 G HN 0.748 nan 8.290 nan 0.000 0.506 493 S N 3.173 118.814 115.700 -0.098 0.000 2.252 493 S HA 0.574 5.044 4.470 -0.000 0.000 0.180 493 S C -1.929 172.634 174.600 -0.063 0.000 1.534 493 S CA -0.690 57.463 58.200 -0.078 0.000 1.141 493 S CB 1.799 64.971 63.200 -0.048 0.000 1.122 493 S HN 0.363 nan 8.310 nan 0.000 0.475 494 P HA 0.168 nan 4.420 nan 0.000 0.276 494 P C -0.586 176.780 177.300 0.109 0.000 1.264 494 P CA -0.025 63.054 63.100 -0.034 0.000 0.815 494 P CB 0.422 31.955 31.700 -0.278 0.000 1.121 495 T N -1.299 113.414 114.554 0.265 0.000 3.293 495 T HA 0.325 4.675 4.350 -0.000 0.000 0.320 495 T C -0.710 174.160 174.700 0.282 0.000 0.995 495 T CA -0.784 61.448 62.100 0.220 0.000 1.041 495 T CB 0.982 69.918 68.868 0.114 0.000 1.058 495 T HN 0.338 nan 8.240 nan 0.000 0.453 496 R N 2.790 123.385 120.500 0.159 0.000 2.390 496 R HA 0.406 4.746 4.340 -0.000 0.000 0.291 496 R C 1.530 177.730 176.300 -0.167 0.000 1.070 496 R CA -0.562 55.324 56.100 -0.357 0.000 1.014 496 R CB 0.308 30.322 30.300 -0.477 0.000 1.007 496 R HN 0.786 nan 8.270 nan 0.000 0.466 497 I N 1.341 121.801 120.570 -0.182 0.000 2.315 497 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 497 I C 0.908 176.981 176.117 -0.074 0.000 1.117 497 I CA 0.983 62.232 61.300 -0.085 0.000 1.404 497 I CB -0.709 37.253 38.000 -0.064 0.000 1.071 497 I HN 0.875 nan 8.210 nan 0.000 0.419 498 T N -0.005 114.485 114.554 -0.105 0.000 3.479 498 T HA -0.195 4.155 4.350 -0.000 0.000 0.396 498 T C 0.141 174.817 174.700 -0.041 0.000 0.768 498 T CA 0.430 62.487 62.100 -0.072 0.000 1.954 498 T CB -3.173 65.660 68.868 -0.058 0.000 1.731 498 T HN 0.350 nan 8.240 nan 0.000 0.661 499 V N 1.783 121.675 119.914 -0.037 0.000 2.557 499 V HA 0.081 4.201 4.120 -0.000 0.000 0.301 499 V C 0.989 177.074 176.094 -0.016 0.000 1.026 499 V CA 0.331 62.618 62.300 -0.021 0.000 1.137 499 V CB 0.380 32.194 31.823 -0.016 0.000 0.917 499 V HN 0.719 nan 8.190 nan 0.000 0.484 500 D N 5.786 126.179 120.400 -0.011 0.000 2.767 500 D HA 0.260 4.900 4.640 -0.000 0.000 0.231 500 D C 0.873 177.170 176.300 -0.006 0.000 1.105 500 D CA 0.176 54.172 54.000 -0.007 0.000 1.024 500 D CB -0.130 40.667 40.800 -0.005 0.000 1.123 500 D HN 0.808 nan 8.370 nan 0.000 0.470 501 E N 0.714 120.910 120.200 -0.007 0.000 3.499 501 E HA -0.430 3.920 4.350 -0.000 0.000 0.467 501 E C 1.242 177.841 176.600 -0.003 0.000 1.639 501 E CA 1.810 58.207 56.400 -0.005 0.000 1.244 501 E CB -0.677 29.021 29.700 -0.004 0.000 1.281 501 E HN 0.466 nan 8.360 nan 0.000 0.415 502 K N 0.605 121.004 120.400 -0.001 0.000 2.412 502 K HA 0.304 4.624 4.320 -0.000 0.000 0.202 502 K C 0.419 177.019 176.600 0.000 0.000 1.102 502 K CA 0.621 56.908 56.287 0.000 0.000 1.027 502 K CB 1.503 34.004 32.500 0.001 0.000 0.931 502 K HN 0.373 nan 8.250 nan 0.000 0.557 503 S N 1.261 116.960 115.700 -0.001 0.000 3.797 503 S HA -0.124 4.346 4.470 -0.000 0.000 0.374 503 S C -1.033 173.567 174.600 -0.000 0.000 0.970 503 S CA 1.294 59.494 58.200 -0.001 0.000 1.177 503 S CB -1.096 62.104 63.200 -0.001 0.000 0.891 503 S HN 0.720 nan 8.310 nan 0.000 0.491 504 E N 0.000 120.200 120.200 -0.000 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.400 56.400 0.000 0.000 0.976 504 E CB 0.000 29.700 29.700 0.001 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440