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 3k0e_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 SINDSHIXXI 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 0.000 176.683 176.600 0.138 0.000 1.382 14 E CA 0.000 56.415 56.400 0.025 0.000 0.976 14 E CB 0.000 29.718 29.700 0.030 0.000 0.812 15 H N 2.418 121.494 119.070 0.010 0.000 2.543 15 H HA 0.168 4.724 4.556 -0.000 0.000 0.269 15 H C 0.113 175.447 175.328 0.010 0.000 1.005 15 H CA 0.196 56.250 56.048 0.010 0.000 1.146 15 H CB 0.703 30.470 29.762 0.008 0.000 1.353 15 H HN 0.322 nan 8.280 nan 0.000 0.595 16 Q N 0.160 120.033 119.800 0.122 0.000 2.248 16 Q HA 0.533 4.873 4.340 -0.000 0.000 0.263 16 Q C -0.020 176.012 176.000 0.054 0.000 1.007 16 Q CA -0.895 54.951 55.803 0.072 0.000 0.877 16 Q CB 2.182 30.951 28.738 0.052 0.000 1.315 16 Q HN 0.266 nan 8.270 nan 0.000 0.454 17 A N 1.107 123.952 122.820 0.042 0.000 2.557 17 A HA -0.022 4.298 4.320 -0.000 0.000 0.257 17 A C -0.046 177.560 177.584 0.037 0.000 1.148 17 A CA 0.035 52.094 52.037 0.036 0.000 0.850 17 A CB -0.187 18.832 19.000 0.031 0.000 1.089 17 A HN 0.542 nan 8.150 nan 0.000 0.525 18 I N -0.176 120.416 120.570 0.037 0.000 2.754 18 I HA 0.354 4.524 4.170 -0.000 0.000 0.285 18 I C 0.897 177.037 176.117 0.039 0.000 1.166 18 I CA 0.959 62.283 61.300 0.039 0.000 1.417 18 I CB 0.497 38.523 38.000 0.043 0.000 1.382 18 I HN 0.629 nan 8.210 nan 0.000 0.588 19 A N 6.213 129.055 122.820 0.036 0.000 2.288 19 A HA 0.678 4.998 4.320 -0.000 0.000 0.320 19 A C -0.084 177.522 177.584 0.037 0.000 1.217 19 A CA -0.709 51.346 52.037 0.030 0.000 0.840 19 A CB 0.448 19.459 19.000 0.018 0.000 1.179 19 A HN 0.712 nan 8.150 nan 0.000 0.504 20 K N 0.951 121.375 120.400 0.040 0.000 2.245 20 K HA 0.732 5.052 4.320 -0.000 0.000 0.234 20 K C -0.712 175.906 176.600 0.029 0.000 1.021 20 K CA -0.627 55.694 56.287 0.056 0.000 0.898 20 K CB 1.802 34.352 32.500 0.084 0.000 1.163 20 K HN 0.753 nan 8.250 nan 0.000 0.459 21 M N 1.573 121.202 119.600 0.048 0.000 2.182 21 M HA 0.298 4.778 4.480 -0.000 0.000 0.266 21 M C -1.396 174.924 176.300 0.033 0.000 0.989 21 M CA -0.470 54.823 55.300 -0.012 0.000 1.003 21 M CB 1.306 33.891 32.600 -0.026 0.000 1.812 21 M HN 0.467 nan 8.290 nan 0.000 0.472 22 R N 2.098 122.596 120.500 -0.003 0.000 2.537 22 R HA 0.052 4.392 4.340 -0.000 0.000 0.281 22 R C 1.158 177.509 176.300 0.085 0.000 0.988 22 R CA 0.903 57.050 56.100 0.079 0.000 1.077 22 R CB 0.258 30.618 30.300 0.100 0.000 0.932 22 R HN 0.743 nan 8.270 nan 0.000 0.409 23 T N -0.326 114.308 114.554 0.133 0.000 3.065 23 T HA 0.030 4.379 4.350 -0.000 0.000 0.252 23 T C 0.955 175.670 174.700 0.024 0.000 1.099 23 T CA -0.287 61.847 62.100 0.057 0.000 1.063 23 T CB 0.292 69.150 68.868 -0.017 0.000 0.948 23 T HN 0.536 nan 8.240 nan 0.000 0.506 24 M N -0.240 119.416 119.600 0.093 0.000 2.856 24 M HA -0.120 4.359 4.480 -0.000 0.000 0.189 24 M C -0.312 176.003 176.300 0.025 0.000 0.612 24 M CA 0.252 55.589 55.300 0.062 0.000 0.673 24 M CB -2.575 30.041 32.600 0.028 0.000 2.440 24 M HN 0.488 nan 8.290 nan 0.000 0.437 25 I N 1.163 121.757 120.570 0.040 0.000 2.281 25 I HA 0.085 4.255 4.170 -0.000 0.000 0.293 25 I C 1.081 177.263 176.117 0.109 0.000 1.085 25 I CA -0.486 60.838 61.300 0.040 0.000 1.257 25 I CB 0.556 38.538 38.000 -0.030 0.000 1.430 25 I HN 0.034 nan 8.210 nan 0.000 0.489 26 E N 5.652 125.883 120.200 0.051 0.000 3.250 26 E HA -0.159 4.191 4.350 -0.000 0.000 0.244 26 E C 1.214 177.806 176.600 -0.013 0.000 0.931 26 E CA 1.279 57.676 56.400 -0.004 0.000 0.954 26 E CB 0.225 29.888 29.700 -0.061 0.000 0.894 26 E HN 1.022 nan 8.360 nan 0.000 0.560 27 G N 3.755 112.546 108.800 -0.015 0.000 2.268 27 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.240 27 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.240 27 G C 0.693 175.605 174.900 0.020 0.000 1.010 27 G CA 0.273 45.350 45.100 -0.039 0.000 0.618 27 G HN 0.544 nan 8.290 nan 0.000 0.516 28 F N 2.221 122.185 119.950 0.023 0.000 2.098 28 F HA 0.114 4.641 4.527 -0.000 0.000 0.294 28 F C 2.206 178.044 175.800 0.064 0.000 1.107 28 F CA 2.134 60.181 58.000 0.078 0.000 1.234 28 F CB 0.008 39.108 39.000 0.167 0.000 1.002 28 F HN 0.154 nan 8.300 nan 0.000 0.472 29 D N 0.047 120.619 120.400 0.286 0.000 2.403 29 D HA -0.144 4.496 4.640 -0.000 0.000 0.227 29 D C 1.110 177.431 176.300 0.035 0.000 0.995 29 D CA 1.162 55.277 54.000 0.191 0.000 0.928 29 D CB -0.315 40.593 40.800 0.181 0.000 0.887 29 D HN 0.490 nan 8.370 nan 0.000 0.529 30 D N -0.258 120.116 120.400 -0.043 0.000 2.259 30 D HA -0.000 4.640 4.640 -0.000 0.000 0.216 30 D C 2.140 178.354 176.300 -0.142 0.000 0.961 30 D CA 0.034 53.970 54.000 -0.107 0.000 0.878 30 D CB 0.388 41.113 40.800 -0.125 0.000 1.009 30 D HN 0.009 nan 8.370 nan 0.000 0.490 31 I N 0.894 121.327 120.570 -0.227 0.000 2.315 31 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 31 I C 1.931 178.008 176.117 -0.066 0.000 1.117 31 I CA 1.119 62.267 61.300 -0.253 0.000 1.404 31 I CB -1.141 36.587 38.000 -0.453 0.000 1.071 31 I HN 0.017 nan 8.210 nan 0.000 0.419 32 S N -0.935 114.684 115.700 -0.136 0.000 2.634 32 S HA -0.010 4.460 4.470 -0.000 0.000 0.221 32 S C 0.517 175.250 174.600 0.221 0.000 0.952 32 S CA -0.297 57.916 58.200 0.021 0.000 0.930 32 S CB -0.745 62.452 63.200 -0.005 0.000 0.780 32 S HN 0.477 nan 8.310 nan 0.000 0.498 33 H N 0.729 119.794 119.070 -0.008 0.000 2.594 33 H HA -0.107 4.449 4.556 -0.000 0.000 0.316 33 H C 1.273 176.621 175.328 0.034 0.000 1.107 33 H CA 0.995 57.051 56.048 0.013 0.000 1.133 33 H CB -1.571 28.203 29.762 0.020 0.000 1.459 33 H HN 0.771 nan 8.280 nan 0.000 0.411 34 G N -2.938 105.941 108.800 0.131 0.000 4.020 34 G HA2 0.407 4.367 3.960 -0.000 0.000 0.195 34 G HA3 0.407 4.367 3.960 -0.000 0.000 0.195 34 G C 0.637 175.625 174.900 0.145 0.000 1.819 34 G CA 0.588 45.756 45.100 0.113 0.000 1.109 34 G HN 1.533 nan 8.290 nan 0.000 0.385 35 G N -0.636 108.279 108.800 0.192 0.000 2.347 35 G HA2 0.409 4.369 3.960 -0.000 0.000 0.477 35 G HA3 0.409 4.369 3.960 -0.000 0.000 0.477 35 G C -0.285 174.771 174.900 0.261 0.000 1.349 35 G CA -0.377 44.900 45.100 0.295 0.000 1.000 35 G HN 1.196 nan 8.290 nan 0.000 0.605 36 L N 1.143 122.552 121.223 0.310 0.000 2.822 36 L HA 0.015 4.355 4.340 -0.000 0.000 0.288 36 L C -1.748 175.201 176.870 0.133 0.000 1.182 36 L CA -0.339 54.617 54.840 0.193 0.000 0.936 36 L CB -0.066 42.051 42.059 0.097 0.000 1.269 36 L HN 0.251 nan 8.230 nan 0.000 0.476 37 P HA 0.094 nan 4.420 nan 0.000 0.267 37 P C -0.133 177.204 177.300 0.063 0.000 1.209 37 P CA 0.040 63.187 63.100 0.079 0.000 0.763 37 P CB 0.506 32.250 31.700 0.073 0.000 0.816 38 I N 2.230 122.830 120.570 0.051 0.000 2.634 38 I HA 0.190 4.360 4.170 -0.000 0.000 0.284 38 I C 1.717 177.855 176.117 0.035 0.000 1.124 38 I CA 0.759 62.083 61.300 0.040 0.000 1.417 38 I CB -0.110 37.900 38.000 0.017 0.000 1.396 38 I HN 0.676 nan 8.210 nan 0.000 0.571 39 G N 4.428 113.249 108.800 0.034 0.000 2.253 39 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 39 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 39 G C 0.394 175.314 174.900 0.033 0.000 0.998 39 G CA -0.238 44.880 45.100 0.029 0.000 0.621 39 G HN 0.597 nan 8.290 nan 0.000 0.524 40 R N 0.389 120.911 120.500 0.037 0.000 2.787 40 R HA 0.638 4.978 4.340 -0.000 0.000 0.271 40 R C 0.151 176.469 176.300 0.029 0.000 0.993 40 R CA 0.074 56.197 56.100 0.039 0.000 0.993 40 R CB 1.608 31.936 30.300 0.047 0.000 1.155 40 R HN 0.424 nan 8.270 nan 0.000 0.486 41 S N 0.090 115.807 115.700 0.028 0.000 2.508 41 S HA 0.356 4.826 4.470 -0.000 0.000 0.284 41 S C -0.148 174.455 174.600 0.005 0.000 1.192 41 S CA -0.574 57.633 58.200 0.011 0.000 1.070 41 S CB 1.857 65.069 63.200 0.020 0.000 1.004 41 S HN 0.415 nan 8.310 nan 0.000 0.493 42 T N 2.965 117.504 114.554 -0.025 0.000 2.895 42 T HA 0.564 4.914 4.350 -0.000 0.000 0.283 42 T C -1.027 173.654 174.700 -0.033 0.000 1.014 42 T CA -0.515 61.572 62.100 -0.023 0.000 1.037 42 T CB 0.930 69.779 68.868 -0.031 0.000 1.006 42 T HN 0.639 nan 8.240 nan 0.000 0.468 43 L N 4.804 126.009 121.223 -0.030 0.000 2.325 43 L HA 0.713 5.053 4.340 -0.000 0.000 0.281 43 L C -1.239 175.595 176.870 -0.060 0.000 1.004 43 L CA -0.459 54.359 54.840 -0.037 0.000 0.823 43 L CB 1.218 43.254 42.059 -0.039 0.000 1.236 43 L HN 0.390 nan 8.230 nan 0.000 0.415 44 V N 4.637 124.512 119.914 -0.065 0.000 2.409 44 V HA 0.818 4.938 4.120 -0.000 0.000 0.291 44 V C -0.243 175.810 176.094 -0.069 0.000 1.020 44 V CA -0.108 62.120 62.300 -0.120 0.000 0.848 44 V CB 1.639 33.329 31.823 -0.223 0.000 0.990 44 V HN 0.961 nan 8.190 nan 0.000 0.430 45 S N 3.045 118.703 115.700 -0.070 0.000 2.618 45 S HA 1.033 5.503 4.470 -0.000 0.000 0.277 45 S C -0.343 174.236 174.600 -0.036 0.000 1.138 45 S CA -0.166 58.013 58.200 -0.035 0.000 0.844 45 S CB 2.463 65.644 63.200 -0.031 0.000 1.127 45 S HN 1.448 nan 8.310 nan 0.000 0.474 46 G N 0.216 109.007 108.800 -0.016 0.000 2.340 46 G HA2 0.555 4.515 3.960 -0.000 0.000 0.299 46 G HA3 0.555 4.515 3.960 -0.000 0.000 0.299 46 G C -0.493 174.404 174.900 -0.006 0.000 1.291 46 G CA 0.014 45.104 45.100 -0.017 0.000 0.841 46 G HN 1.370 nan 8.290 nan 0.000 0.500 47 T N -2.046 112.502 114.554 -0.011 0.000 2.824 47 T HA 0.517 4.867 4.350 -0.000 0.000 0.277 47 T C 1.188 175.900 174.700 0.020 0.000 0.975 47 T CA 0.757 62.855 62.100 -0.004 0.000 0.966 47 T CB 1.218 70.075 68.868 -0.020 0.000 1.054 47 T HN 1.649 nan 8.240 nan 0.000 0.533 48 S N 0.421 116.133 115.700 0.020 0.000 2.965 48 S HA 0.321 4.791 4.470 -0.000 0.000 0.322 48 S C 1.350 175.977 174.600 0.045 0.000 1.010 48 S CA 0.553 58.773 58.200 0.034 0.000 1.797 48 S CB -1.953 61.262 63.200 0.025 0.000 1.410 48 S HN 1.768 nan 8.310 nan 0.000 0.640 49 G N 2.433 111.272 108.800 0.065 0.000 2.273 49 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.162 49 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.162 49 G C 0.729 175.701 174.900 0.121 0.000 1.006 49 G CA 0.342 45.492 45.100 0.084 0.000 0.704 49 G HN 1.038 nan 8.290 nan 0.000 0.487 50 T N -1.091 113.539 114.554 0.126 0.000 3.139 50 T HA 0.355 4.705 4.350 -0.000 0.000 0.267 50 T C 2.305 177.202 174.700 0.329 0.000 1.164 50 T CA 2.000 64.225 62.100 0.208 0.000 1.075 50 T CB -0.081 68.883 68.868 0.160 0.000 0.904 50 T HN 2.186 nan 8.240 nan 0.000 0.540 51 G N 1.073 110.007 108.800 0.223 0.000 2.201 51 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.212 51 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.212 51 G C 0.805 175.796 174.900 0.151 0.000 0.994 51 G CA 0.268 45.486 45.100 0.197 0.000 0.644 51 G HN 0.549 nan 8.290 nan 0.000 0.508 52 K N 0.152 120.634 120.400 0.136 0.000 2.005 52 K HA -0.225 4.095 4.320 -0.000 0.000 0.229 52 K C 2.518 179.229 176.600 0.184 0.000 1.050 52 K CA 2.618 58.988 56.287 0.139 0.000 0.994 52 K CB -0.971 31.592 32.500 0.105 0.000 0.736 52 K HN 0.333 nan 8.250 nan 0.000 0.448 53 T N 1.814 116.470 114.554 0.170 0.000 2.635 53 T HA -0.242 4.108 4.350 -0.000 0.000 0.265 53 T C 1.703 176.505 174.700 0.171 0.000 1.058 53 T CA 1.998 64.221 62.100 0.205 0.000 1.162 53 T CB -0.492 68.482 68.868 0.178 0.000 0.859 53 T HN 0.210 nan 8.240 nan 0.000 0.449 54 L N 0.647 121.937 121.223 0.112 0.000 1.970 54 L HA -0.008 4.332 4.340 -0.000 0.000 0.212 54 L C 2.059 178.953 176.870 0.040 0.000 1.071 54 L CA 1.791 56.646 54.840 0.025 0.000 0.751 54 L CB -1.312 40.749 42.059 0.003 0.000 0.889 54 L HN 0.299 nan 8.230 nan 0.000 0.432 55 F N 0.172 120.098 119.950 -0.040 0.000 2.271 55 F HA -0.297 4.230 4.527 -0.000 0.000 0.302 55 F C 2.409 178.197 175.800 -0.019 0.000 1.063 55 F CA 1.728 59.682 58.000 -0.077 0.000 1.362 55 F CB -0.278 38.647 39.000 -0.125 0.000 1.060 55 F HN 0.429 nan 8.300 nan 0.000 0.521 56 S N -0.062 115.709 115.700 0.117 0.000 2.355 56 S HA -0.061 4.409 4.470 -0.000 0.000 0.216 56 S C 2.000 176.694 174.600 0.157 0.000 1.037 56 S CA 0.675 58.981 58.200 0.177 0.000 0.955 56 S CB -0.836 62.570 63.200 0.343 0.000 0.877 56 S HN 0.199 nan 8.310 nan 0.000 0.488 57 I N 2.868 123.467 120.570 0.048 0.000 2.087 57 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 57 I C 2.870 178.851 176.117 -0.227 0.000 1.054 57 I CA 2.013 63.183 61.300 -0.216 0.000 1.311 57 I CB -1.420 36.403 38.000 -0.296 0.000 1.024 57 I HN 0.536 nan 8.210 nan 0.000 0.402 58 Q N -0.310 119.343 119.800 -0.247 0.000 2.508 58 Q HA -0.235 4.104 4.340 -0.000 0.000 0.214 58 Q C 2.135 177.936 176.000 -0.331 0.000 0.979 58 Q CA 1.019 56.569 55.803 -0.422 0.000 0.911 58 Q CB -0.213 28.378 28.738 -0.245 0.000 0.969 58 Q HN 0.494 nan 8.270 nan 0.000 0.504 59 F N -0.101 119.612 119.950 -0.395 0.000 2.270 59 F HA -0.013 4.514 4.527 -0.000 0.000 0.295 59 F C 1.278 176.945 175.800 -0.222 0.000 1.087 59 F CA 0.801 58.568 58.000 -0.388 0.000 1.365 59 F CB 0.017 38.761 39.000 -0.428 0.000 1.056 59 F HN 0.015 nan 8.300 nan 0.000 0.506 60 L N -1.152 119.865 121.223 -0.343 0.000 2.034 60 L HA -0.155 4.185 4.340 -0.000 0.000 0.203 60 L C 2.300 178.985 176.870 -0.309 0.000 1.074 60 L CA 1.352 55.987 54.840 -0.341 0.000 0.748 60 L CB -1.314 40.688 42.059 -0.095 0.000 0.905 60 L HN 0.118 nan 8.230 nan 0.000 0.439 61 Y N 1.971 122.000 120.300 -0.452 0.000 1.967 61 Y HA -0.416 4.134 4.550 -0.000 0.000 0.260 61 Y C 2.527 178.151 175.900 -0.461 0.000 1.181 61 Y CA 2.288 60.074 58.100 -0.524 0.000 1.097 61 Y CB -0.585 37.337 38.460 -0.896 0.000 0.934 61 Y HN 0.233 nan 8.280 nan 0.000 0.492 62 N N -0.150 118.347 118.700 -0.339 0.000 2.096 62 N HA -0.215 4.525 4.740 -0.000 0.000 0.195 62 N C 1.972 177.315 175.510 -0.279 0.000 1.017 62 N CA 1.633 54.494 53.050 -0.315 0.000 0.870 62 N CB -1.133 37.223 38.487 -0.218 0.000 1.024 62 N HN 0.597 nan 8.380 nan 0.000 0.434 63 G N 0.632 109.293 108.800 -0.232 0.000 2.480 63 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 63 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 63 G C 1.469 176.324 174.900 -0.075 0.000 1.200 63 G CA 0.913 45.993 45.100 -0.033 0.000 0.782 63 G HN 0.166 nan 8.290 nan 0.000 0.554 64 I N 1.589 122.023 120.570 -0.227 0.000 2.043 64 I HA -0.203 3.967 4.170 -0.000 0.000 0.231 64 I C 2.558 178.492 176.117 -0.305 0.000 1.024 64 I CA 1.039 62.194 61.300 -0.242 0.000 1.309 64 I CB -0.472 37.340 38.000 -0.315 0.000 1.030 64 I HN 0.083 nan 8.210 nan 0.000 0.389 65 I N 0.132 120.419 120.570 -0.471 0.000 2.761 65 I HA -0.227 3.943 4.170 -0.000 0.000 0.266 65 I C 1.824 177.679 176.117 -0.438 0.000 1.239 65 I CA 1.476 62.502 61.300 -0.458 0.000 1.451 65 I CB -1.505 36.138 38.000 -0.594 0.000 1.096 65 I HN 0.489 nan 8.210 nan 0.000 0.465 66 E N -0.908 118.951 120.200 -0.569 0.000 2.541 66 E HA 0.153 4.503 4.350 -0.000 0.000 0.219 66 E C 0.476 176.357 176.600 -1.198 0.000 0.922 66 E CA 0.236 56.065 56.400 -0.952 0.000 1.095 66 E CB 0.767 29.687 29.700 -1.301 0.000 1.112 66 E HN 0.530 nan 8.360 nan 0.000 0.516 67 F N -0.469 119.394 119.950 -0.144 0.000 3.145 67 F HA 0.159 4.686 4.527 -0.000 0.000 0.358 67 F C 0.144 175.878 175.800 -0.110 0.000 1.216 67 F CA -0.777 57.156 58.000 -0.111 0.000 0.984 67 F CB 0.156 39.093 39.000 -0.104 0.000 1.479 67 F HN -0.237 nan 8.300 nan 0.000 0.506 68 D N 3.032 123.437 120.400 0.010 0.000 2.802 68 D HA -0.215 4.424 4.640 -0.000 0.000 0.229 68 D C -0.532 175.772 176.300 0.007 0.000 1.203 68 D CA 0.867 54.851 54.000 -0.026 0.000 0.712 68 D CB -0.283 40.493 40.800 -0.039 0.000 0.973 68 D HN 0.635 nan 8.370 nan 0.000 0.407 69 E N 1.502 121.709 120.200 0.012 0.000 2.103 69 E HA 0.330 4.680 4.350 -0.000 0.000 0.254 69 E C -2.373 174.208 176.600 -0.033 0.000 0.940 69 E CA -1.899 54.494 56.400 -0.012 0.000 0.771 69 E CB 0.828 30.503 29.700 -0.041 0.000 1.153 69 E HN 0.175 nan 8.360 nan 0.000 0.428 70 P HA -0.133 nan 4.420 nan 0.000 0.257 70 P C 0.117 177.420 177.300 0.004 0.000 1.153 70 P CA 0.564 63.674 63.100 0.016 0.000 0.762 70 P CB 0.506 32.247 31.700 0.068 0.000 0.743 71 G N 2.045 110.838 108.800 -0.012 0.000 2.462 71 G HA2 0.538 4.498 3.960 -0.000 0.000 0.319 71 G HA3 0.538 4.498 3.960 -0.000 0.000 0.319 71 G C -1.159 173.740 174.900 -0.001 0.000 1.171 71 G CA -0.488 44.605 45.100 -0.012 0.000 0.920 71 G HN 0.345 nan 8.290 nan 0.000 0.499 72 V N 0.923 120.839 119.914 0.004 0.000 2.462 72 V HA 0.262 4.382 4.120 -0.000 0.000 0.288 72 V C -1.309 174.767 176.094 -0.029 0.000 1.020 72 V CA -0.594 61.664 62.300 -0.071 0.000 0.857 72 V CB 1.216 32.970 31.823 -0.114 0.000 1.013 72 V HN 0.633 nan 8.190 nan 0.000 0.431 73 F N 5.760 125.595 119.950 -0.192 0.000 2.335 73 F HA 0.538 5.065 4.527 -0.000 0.000 0.365 73 F C 0.218 175.869 175.800 -0.248 0.000 1.122 73 F CA -0.514 57.389 58.000 -0.163 0.000 1.151 73 F CB 1.094 40.034 39.000 -0.100 0.000 1.282 73 F HN 0.302 nan 8.300 nan 0.000 0.513 74 V N 5.977 125.495 119.914 -0.660 0.000 2.405 74 V HA 0.159 4.279 4.120 -0.000 0.000 0.264 74 V C 0.671 176.267 176.094 -0.830 0.000 1.048 74 V CA -0.201 61.690 62.300 -0.682 0.000 0.966 74 V CB 0.459 31.924 31.823 -0.597 0.000 1.015 74 V HN 0.803 nan 8.190 nan 0.000 0.477 75 T N 2.917 117.101 114.554 -0.617 0.000 2.833 75 T HA 0.590 4.940 4.350 -0.000 0.000 0.292 75 T C 0.311 174.713 174.700 -0.498 0.000 1.031 75 T CA 0.200 62.057 62.100 -0.406 0.000 0.937 75 T CB 0.628 69.428 68.868 -0.113 0.000 1.256 75 T HN 0.607 nan 8.240 nan 0.000 0.551 76 F N -1.738 118.163 119.950 -0.082 0.000 2.958 76 F HA 0.235 4.761 4.527 -0.000 0.000 0.418 76 F C 1.505 177.284 175.800 -0.035 0.000 0.961 76 F CA -0.355 57.603 58.000 -0.070 0.000 0.919 76 F CB 0.770 39.721 39.000 -0.082 0.000 1.395 76 F HN 0.553 nan 8.300 nan 0.000 0.545 77 E N 0.504 120.805 120.200 0.168 0.000 3.844 77 E HA 0.147 4.497 4.350 -0.000 0.000 0.201 77 E C -0.101 176.552 176.600 0.089 0.000 1.278 77 E CA -0.083 56.383 56.400 0.110 0.000 1.565 77 E CB 0.350 30.110 29.700 0.101 0.000 1.543 77 E HN 0.088 nan 8.360 nan 0.000 0.584 78 E N 1.875 122.135 120.200 0.100 0.000 2.417 78 E HA 0.011 4.361 4.350 -0.000 0.000 0.261 78 E C -0.698 175.956 176.600 0.090 0.000 1.000 78 E CA 0.168 56.627 56.400 0.098 0.000 0.919 78 E CB 1.028 30.804 29.700 0.126 0.000 0.955 78 E HN 0.041 nan 8.360 nan 0.000 0.455 79 T N 4.050 118.648 114.554 0.073 0.000 2.930 79 T HA 0.044 4.394 4.350 -0.000 0.000 0.306 79 T C -1.693 173.053 174.700 0.076 0.000 1.045 79 T CA -1.645 60.494 62.100 0.064 0.000 1.134 79 T CB 0.668 69.568 68.868 0.053 0.000 0.961 79 T HN 0.237 nan 8.240 nan 0.000 0.545 80 P HA -0.174 nan 4.420 nan 0.000 0.216 80 P C 1.808 179.151 177.300 0.073 0.000 1.153 80 P CA 1.118 64.270 63.100 0.086 0.000 0.858 80 P CB 0.081 31.828 31.700 0.077 0.000 0.789 81 Q N -0.088 119.750 119.800 0.063 0.000 2.082 81 Q HA -0.235 4.104 4.340 -0.000 0.000 0.211 81 Q C 1.634 177.663 176.000 0.048 0.000 1.002 81 Q CA 1.725 57.559 55.803 0.053 0.000 0.868 81 Q CB -1.640 27.126 28.738 0.046 0.000 0.931 81 Q HN 0.392 nan 8.270 nan 0.000 0.414 82 D N 0.682 121.111 120.400 0.049 0.000 2.149 82 D HA 0.017 4.657 4.640 -0.000 0.000 0.201 82 D C 2.155 178.482 176.300 0.044 0.000 0.972 82 D CA 0.387 54.414 54.000 0.045 0.000 0.835 82 D CB -0.126 40.702 40.800 0.047 0.000 0.966 82 D HN 0.245 nan 8.370 nan 0.000 0.476 83 I N 0.965 121.566 120.570 0.053 0.000 2.479 83 I HA -0.273 3.897 4.170 -0.000 0.000 0.258 83 I C 2.194 178.304 176.117 -0.011 0.000 1.165 83 I CA 0.802 62.116 61.300 0.024 0.000 1.422 83 I CB -0.093 37.928 38.000 0.035 0.000 1.087 83 I HN 0.023 nan 8.210 nan 0.000 0.441 84 I N -0.118 120.462 120.570 0.016 0.000 2.522 84 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 84 I C 2.510 178.646 176.117 0.032 0.000 1.078 84 I CA 0.446 61.761 61.300 0.024 0.000 1.422 84 I CB -0.290 37.733 38.000 0.038 0.000 1.188 84 I HN -0.008 nan 8.210 nan 0.000 0.442 85 K N 1.735 122.153 120.400 0.030 0.000 2.184 85 K HA -0.259 4.061 4.320 -0.000 0.000 0.210 85 K C 1.636 178.246 176.600 0.017 0.000 1.048 85 K CA 2.015 58.316 56.287 0.023 0.000 0.931 85 K CB -0.348 32.166 32.500 0.022 0.000 0.718 85 K HN 0.328 nan 8.250 nan 0.000 0.465 86 N N -0.287 118.431 118.700 0.029 0.000 2.197 86 N HA -0.032 4.708 4.740 -0.000 0.000 0.184 86 N C 1.648 177.200 175.510 0.070 0.000 1.030 86 N CA 1.341 54.415 53.050 0.040 0.000 0.851 86 N CB -0.705 37.820 38.487 0.064 0.000 1.003 86 N HN 0.283 nan 8.380 nan 0.000 0.430 87 A N 1.741 124.608 122.820 0.079 0.000 2.204 87 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 87 A C 1.925 179.555 177.584 0.077 0.000 1.165 87 A CA 1.063 53.166 52.037 0.110 0.000 0.671 87 A CB -0.511 18.540 19.000 0.085 0.000 0.792 87 A HN 0.263 nan 8.150 nan 0.000 0.473 88 R N -0.643 119.871 120.500 0.024 0.000 2.313 88 R HA 0.038 4.378 4.340 -0.000 0.000 0.199 88 R C 1.919 178.138 176.300 -0.136 0.000 0.958 88 R CA 0.765 56.849 56.100 -0.027 0.000 1.047 88 R CB -0.200 30.096 30.300 -0.008 0.000 0.955 88 R HN 0.512 nan 8.270 nan 0.000 0.481 89 S N 0.045 115.634 115.700 -0.185 0.000 2.489 89 S HA -0.016 4.454 4.470 -0.000 0.000 0.228 89 S C 0.839 174.982 174.600 -0.762 0.000 0.995 89 S CA 0.688 58.622 58.200 -0.443 0.000 0.934 89 S CB 0.098 62.969 63.200 -0.547 0.000 0.771 89 S HN 0.260 nan 8.310 nan 0.000 0.522 90 F N 0.667 120.169 119.950 -0.747 0.000 2.682 90 F HA 0.461 4.988 4.527 -0.000 0.000 0.308 90 F C 1.556 176.777 175.800 -0.965 0.000 1.093 90 F CA -0.129 57.211 58.000 -1.099 0.000 1.244 90 F CB 0.223 37.953 39.000 -2.117 0.000 1.052 90 F HN 0.200 nan 8.300 nan 0.000 0.573 91 G N -0.231 108.329 108.800 -0.400 0.000 2.204 91 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 91 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 91 G C -0.659 174.363 174.900 0.204 0.000 1.062 91 G CA -0.593 44.460 45.100 -0.078 0.000 0.798 91 G HN 0.191 nan 8.290 nan 0.000 0.496 92 W N 1.031 122.275 121.300 -0.093 0.000 2.347 92 W HA 0.491 5.151 4.660 -0.000 0.000 0.321 92 W C -0.052 176.436 176.519 -0.051 0.000 0.971 92 W CA -2.261 54.941 57.345 -0.238 0.000 1.508 92 W CB 0.541 29.547 29.460 -0.757 0.000 1.299 92 W HN 0.217 nan 8.180 nan 0.000 0.399 93 D N 3.368 123.924 120.400 0.260 0.000 2.767 93 D HA 0.020 4.660 4.640 -0.000 0.000 0.231 93 D C 1.531 177.934 176.300 0.173 0.000 1.105 93 D CA 0.212 54.315 54.000 0.171 0.000 1.024 93 D CB 0.161 41.044 40.800 0.138 0.000 1.123 93 D HN 0.326 nan 8.370 nan 0.000 0.470 94 L N 1.270 122.591 121.223 0.165 0.000 2.089 94 L HA -0.302 4.038 4.340 -0.000 0.000 0.213 94 L C 2.625 179.553 176.870 0.097 0.000 1.079 94 L CA 1.342 56.261 54.840 0.133 0.000 0.758 94 L CB -0.544 41.558 42.059 0.073 0.000 0.891 94 L HN 0.283 nan 8.230 nan 0.000 0.433 95 A N 0.289 123.159 122.820 0.083 0.000 1.929 95 A HA -0.364 3.956 4.320 -0.000 0.000 0.221 95 A C 2.379 180.002 177.584 0.066 0.000 1.211 95 A CA 2.594 54.672 52.037 0.069 0.000 0.657 95 A CB -0.631 18.405 19.000 0.059 0.000 0.827 95 A HN 0.449 nan 8.150 nan 0.000 0.462 96 K N -0.380 120.061 120.400 0.070 0.000 1.978 96 K HA -0.109 4.211 4.320 -0.000 0.000 0.214 96 K C 1.871 178.499 176.600 0.046 0.000 1.049 96 K CA 1.758 58.077 56.287 0.054 0.000 0.939 96 K CB -0.434 32.101 32.500 0.058 0.000 0.721 96 K HN 0.477 nan 8.250 nan 0.000 0.441 97 L N 1.258 122.511 121.223 0.050 0.000 2.263 97 L HA -0.179 4.161 4.340 -0.000 0.000 0.216 97 L C 2.282 179.187 176.870 0.060 0.000 1.111 97 L CA 0.719 55.578 54.840 0.032 0.000 0.773 97 L CB -0.554 41.515 42.059 0.016 0.000 0.906 97 L HN 0.139 nan 8.230 nan 0.000 0.439 98 V N -0.480 119.478 119.914 0.074 0.000 2.407 98 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 98 V C 1.947 178.090 176.094 0.081 0.000 1.041 98 V CA 1.734 64.092 62.300 0.096 0.000 1.040 98 V CB -0.439 31.442 31.823 0.097 0.000 0.671 98 V HN 0.337 nan 8.190 nan 0.000 0.455 99 D N 0.693 121.125 120.400 0.054 0.000 2.077 99 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 99 D C 1.919 178.231 176.300 0.021 0.000 0.989 99 D CA 1.283 55.302 54.000 0.031 0.000 0.831 99 D CB -0.311 40.502 40.800 0.022 0.000 0.979 99 D HN 0.499 nan 8.370 nan 0.000 0.449 100 E N 0.285 120.496 120.200 0.018 0.000 2.495 100 E HA 0.060 4.410 4.350 -0.000 0.000 0.204 100 E C 1.095 177.705 176.600 0.017 0.000 1.163 100 E CA 0.287 56.689 56.400 0.004 0.000 0.922 100 E CB -0.520 29.177 29.700 -0.005 0.000 0.918 100 E HN 0.355 nan 8.360 nan 0.000 0.537 101 G N 2.000 110.833 108.800 0.054 0.000 2.352 101 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.295 101 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.295 101 G C 0.963 175.980 174.900 0.195 0.000 0.991 101 G CA 0.683 45.866 45.100 0.137 0.000 0.796 101 G HN 0.170 nan 8.290 nan 0.000 0.511 102 K N -1.108 119.356 120.400 0.105 0.000 2.444 102 K HA 0.314 4.634 4.320 -0.000 0.000 0.193 102 K C 0.704 177.343 176.600 0.065 0.000 1.024 102 K CA 0.586 56.911 56.287 0.064 0.000 1.077 102 K CB 0.161 32.656 32.500 -0.008 0.000 0.833 102 K HN 0.929 nan 8.250 nan 0.000 0.517 103 L N -2.237 119.048 121.223 0.103 0.000 2.592 103 L HA 0.496 4.836 4.340 -0.000 0.000 0.258 103 L C -1.768 175.149 176.870 0.078 0.000 0.926 103 L CA -0.925 53.950 54.840 0.058 0.000 0.885 103 L CB 1.454 43.532 42.059 0.030 0.000 1.380 103 L HN -0.158 nan 8.230 nan 0.000 0.415 104 F N 5.635 125.422 119.950 -0.271 0.000 2.445 104 F HA 0.627 5.154 4.527 -0.000 0.000 0.348 104 F C -0.806 174.881 175.800 -0.188 0.000 1.125 104 F CA -1.821 55.933 58.000 -0.411 0.000 0.983 104 F CB 1.096 39.398 39.000 -1.163 0.000 1.198 104 F HN 0.505 nan 8.300 nan 0.000 0.436 105 I N 7.595 128.273 120.570 0.179 0.000 2.329 105 I HA 0.038 4.208 4.170 -0.000 0.000 0.295 105 I C -0.333 175.582 176.117 -0.336 0.000 1.109 105 I CA -0.459 60.833 61.300 -0.012 0.000 1.297 105 I CB 0.550 38.626 38.000 0.127 0.000 1.433 105 I HN 0.385 nan 8.210 nan 0.000 0.509 106 L N 7.603 128.385 121.223 -0.736 0.000 2.375 106 L HA 0.235 4.575 4.340 -0.000 0.000 0.276 106 L C 0.433 177.078 176.870 -0.375 0.000 1.162 106 L CA 0.017 54.364 54.840 -0.821 0.000 0.991 106 L CB -0.086 41.411 42.059 -0.937 0.000 1.315 106 L HN 0.439 nan 8.230 nan 0.000 0.431 107 D N 4.076 124.371 120.400 -0.175 0.000 2.571 107 D HA 0.061 4.701 4.640 -0.000 0.000 0.231 107 D C 0.190 176.411 176.300 -0.131 0.000 1.133 107 D CA 0.977 54.918 54.000 -0.098 0.000 0.862 107 D CB 1.297 42.096 40.800 -0.002 0.000 1.179 107 D HN 0.720 nan 8.370 nan 0.000 0.474 108 A N 2.344 125.084 122.820 -0.134 0.000 2.554 108 A HA 0.116 4.436 4.320 -0.000 0.000 0.266 108 A C 0.039 177.660 177.584 0.062 0.000 0.938 108 A CA -0.198 51.780 52.037 -0.099 0.000 1.045 108 A CB -0.261 18.521 19.000 -0.363 0.000 1.198 108 A HN 0.433 nan 8.150 nan 0.000 0.528 109 S N 1.345 117.073 115.700 0.047 0.000 2.409 109 S HA 0.532 5.002 4.470 -0.000 0.000 0.308 109 S C -2.648 171.988 174.600 0.059 0.000 1.080 109 S CA -1.177 57.073 58.200 0.084 0.000 1.081 109 S CB 0.152 63.391 63.200 0.065 0.000 1.009 109 S HN 0.161 nan 8.310 nan 0.000 0.502 110 P HA -0.003 nan 4.420 nan 0.000 0.255 110 P C -0.194 177.120 177.300 0.023 0.000 1.151 110 P CA 0.539 63.656 63.100 0.029 0.000 0.767 110 P CB 0.090 31.795 31.700 0.008 0.000 0.736 111 D N 4.846 125.259 120.400 0.022 0.000 2.362 111 D HA -0.006 4.634 4.640 -0.000 0.000 0.238 111 D C -1.048 175.260 176.300 0.014 0.000 1.212 111 D CA -0.723 53.289 54.000 0.020 0.000 0.902 111 D CB -0.279 40.533 40.800 0.020 0.000 1.180 111 D HN 0.276 nan 8.370 nan 0.000 0.445 112 P HA -0.096 nan 4.420 nan 0.000 0.229 112 P C -0.487 176.817 177.300 0.007 0.000 1.147 112 P CA 1.207 64.313 63.100 0.011 0.000 0.766 112 P CB 0.265 31.972 31.700 0.012 0.000 0.775 113 E N -2.148 118.056 120.200 0.007 0.000 2.458 113 E HA 0.703 5.053 4.350 -0.000 0.000 0.278 113 E C 0.197 176.798 176.600 0.002 0.000 1.004 113 E CA -0.537 55.865 56.400 0.004 0.000 0.823 113 E CB 1.983 31.686 29.700 0.006 0.000 1.396 113 E HN 0.012 nan 8.360 nan 0.000 0.463 114 G N 0.020 108.820 108.800 -0.001 0.000 2.351 114 G HA2 0.185 4.145 3.960 -0.000 0.000 0.279 114 G HA3 0.185 4.145 3.960 -0.000 0.000 0.279 114 G C -1.199 173.696 174.900 -0.008 0.000 1.297 114 G CA 0.035 45.132 45.100 -0.005 0.000 0.886 114 G HN 0.502 nan 8.290 nan 0.000 0.493 115 Q N -1.260 118.531 119.800 -0.016 0.000 3.321 115 Q HA 0.877 5.216 4.340 -0.000 0.000 0.257 115 Q C 0.001 175.992 176.000 -0.015 0.000 1.041 115 Q CA -0.679 55.111 55.803 -0.021 0.000 0.789 115 Q CB 1.826 30.541 28.738 -0.039 0.000 2.366 115 Q HN 0.644 nan 8.270 nan 0.000 0.416 116 E N -1.351 118.831 120.200 -0.031 0.000 2.350 116 E HA 0.313 4.663 4.350 -0.000 0.000 0.243 116 E C -0.533 176.005 176.600 -0.104 0.000 0.959 116 E CA -0.451 55.957 56.400 0.013 0.000 0.883 116 E CB 1.952 31.699 29.700 0.080 0.000 1.820 116 E HN 0.412 nan 8.360 nan 0.000 0.441 117 V N -0.353 119.486 119.914 -0.124 0.000 2.305 117 V HA -0.241 3.879 4.120 -0.000 0.000 0.118 117 V C 0.213 175.994 176.094 -0.520 0.000 0.453 117 V CA 1.218 63.307 62.300 -0.352 0.000 1.312 117 V CB -1.974 29.680 31.823 -0.280 0.000 1.544 117 V HN 0.382 nan 8.190 nan 0.000 0.972 118 V N 1.062 120.732 119.914 -0.407 0.000 1.973 118 V HA 0.428 4.548 4.120 -0.000 0.000 0.255 118 V C 1.726 177.751 176.094 -0.115 0.000 1.605 118 V CA 0.664 62.572 62.300 -0.652 0.000 1.542 118 V CB -0.178 31.466 31.823 -0.299 0.000 1.504 118 V HN 0.563 nan 8.190 nan 0.000 0.505 119 G N 2.569 111.436 108.800 0.112 0.000 2.792 119 G HA2 0.121 4.081 3.960 -0.000 0.000 0.147 119 G HA3 0.121 4.081 3.960 -0.000 0.000 0.147 119 G C 1.431 176.558 174.900 0.378 0.000 1.838 119 G CA 0.318 45.628 45.100 0.349 0.000 0.980 119 G HN 0.642 nan 8.290 nan 0.000 0.436 120 G N -0.596 108.375 108.800 0.285 0.000 2.564 120 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.217 120 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.217 120 G C 1.435 176.421 174.900 0.143 0.000 1.120 120 G CA 0.714 45.894 45.100 0.133 0.000 0.752 120 G HN 0.279 nan 8.290 nan 0.000 0.558 121 F N 1.680 121.630 119.950 0.001 0.000 2.063 121 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 121 F C 2.352 178.151 175.800 -0.001 0.000 1.105 121 F CA 1.809 59.809 58.000 0.001 0.000 1.215 121 F CB -0.326 38.678 39.000 0.006 0.000 0.972 121 F HN 0.165 nan 8.300 nan 0.000 0.483 122 D N -0.587 119.942 120.400 0.214 0.000 2.249 122 D HA -0.056 4.584 4.640 -0.000 0.000 0.205 122 D C 2.470 178.811 176.300 0.067 0.000 0.962 122 D CA 0.294 54.360 54.000 0.111 0.000 0.860 122 D CB -0.296 40.553 40.800 0.081 0.000 0.955 122 D HN 0.129 nan 8.370 nan 0.000 0.505 123 L N 1.714 122.965 121.223 0.047 0.000 2.131 123 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 123 L C 2.172 179.054 176.870 0.020 0.000 1.092 123 L CA 1.523 56.372 54.840 0.016 0.000 0.759 123 L CB -0.804 41.242 42.059 -0.021 0.000 0.903 123 L HN 0.011 nan 8.230 nan 0.000 0.435 124 S N -1.453 114.257 115.700 0.018 0.000 2.496 124 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 124 S C 1.894 176.499 174.600 0.009 0.000 0.996 124 S CA 0.516 58.718 58.200 0.002 0.000 0.927 124 S CB 0.049 63.239 63.200 -0.018 0.000 0.774 124 S HN 0.381 nan 8.310 nan 0.000 0.524 125 A N 1.771 124.606 122.820 0.024 0.000 1.887 125 A HA 0.365 4.685 4.320 -0.000 0.000 0.210 125 A C 2.008 179.606 177.584 0.024 0.000 1.221 125 A CA 0.727 52.778 52.037 0.023 0.000 0.635 125 A CB -0.957 18.064 19.000 0.036 0.000 0.881 125 A HN 0.447 nan 8.150 nan 0.000 0.456 126 L N 0.585 121.828 121.223 0.033 0.000 2.129 126 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 126 L C 2.009 178.889 176.870 0.016 0.000 1.087 126 L CA 1.730 56.585 54.840 0.025 0.000 0.757 126 L CB -0.468 41.622 42.059 0.053 0.000 0.896 126 L HN 0.458 nan 8.230 nan 0.000 0.434 127 I N -1.119 119.462 120.570 0.018 0.000 2.756 127 I HA -0.186 3.984 4.170 -0.000 0.000 0.262 127 I C 2.148 178.278 176.117 0.022 0.000 1.225 127 I CA 0.679 61.986 61.300 0.012 0.000 1.472 127 I CB -0.202 37.800 38.000 0.004 0.000 1.094 127 I HN 0.276 nan 8.210 nan 0.000 0.454 128 E N 0.956 121.170 120.200 0.025 0.000 2.190 128 E HA -0.040 4.310 4.350 -0.000 0.000 0.191 128 E C 2.205 178.843 176.600 0.064 0.000 0.978 128 E CA 0.731 57.150 56.400 0.033 0.000 0.839 128 E CB 0.171 29.878 29.700 0.012 0.000 0.787 128 E HN 0.272 nan 8.360 nan 0.000 0.473 129 R N -0.115 120.420 120.500 0.058 0.000 2.093 129 R HA 0.053 4.392 4.340 -0.000 0.000 0.224 129 R C 1.965 178.353 176.300 0.147 0.000 1.101 129 R CA 0.851 57.015 56.100 0.107 0.000 0.979 129 R CB -0.110 30.223 30.300 0.055 0.000 0.877 129 R HN 0.181 nan 8.270 nan 0.000 0.441 130 I N 1.468 122.069 120.570 0.052 0.000 2.286 130 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 130 I C 1.867 178.019 176.117 0.058 0.000 1.115 130 I CA 1.390 62.695 61.300 0.008 0.000 1.392 130 I CB -1.085 36.895 38.000 -0.033 0.000 1.065 130 I HN 0.191 nan 8.210 nan 0.000 0.418 131 N N 0.410 119.161 118.700 0.085 0.000 2.453 131 N HA -0.249 4.491 4.740 -0.000 0.000 0.183 131 N C 1.875 177.486 175.510 0.168 0.000 1.041 131 N CA 0.740 53.847 53.050 0.095 0.000 0.900 131 N CB -0.282 38.252 38.487 0.078 0.000 0.961 131 N HN 0.303 nan 8.380 nan 0.000 0.443 132 Y N 0.296 120.641 120.300 0.075 0.000 2.263 132 Y HA 0.158 4.708 4.550 -0.000 0.000 0.292 132 Y C 2.082 178.110 175.900 0.213 0.000 1.130 132 Y CA 1.374 59.548 58.100 0.123 0.000 1.179 132 Y CB -0.608 37.929 38.460 0.129 0.000 0.998 132 Y HN 0.130 nan 8.280 nan 0.000 0.532 133 A N -0.185 122.707 122.820 0.121 0.000 2.072 133 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 133 A C 1.952 179.619 177.584 0.139 0.000 1.156 133 A CA 1.202 53.328 52.037 0.148 0.000 0.701 133 A CB -0.638 18.424 19.000 0.104 0.000 0.816 133 A HN 0.418 nan 8.150 nan 0.000 0.458 134 I N -0.358 120.261 120.570 0.081 0.000 2.235 134 I HA -0.175 3.995 4.170 -0.000 0.000 0.241 134 I C 2.520 178.679 176.117 0.071 0.000 1.085 134 I CA 1.374 62.715 61.300 0.068 0.000 1.378 134 I CB -1.695 36.332 38.000 0.044 0.000 1.076 134 I HN 0.470 nan 8.210 nan 0.000 0.415 135 Q N 1.345 121.183 119.800 0.063 0.000 2.014 135 Q HA -0.273 4.067 4.340 -0.000 0.000 0.207 135 Q C 2.388 178.393 176.000 0.009 0.000 0.993 135 Q CA 2.337 58.168 55.803 0.047 0.000 0.850 135 Q CB 0.036 28.824 28.738 0.083 0.000 0.916 135 Q HN 0.398 nan 8.270 nan 0.000 0.417 136 K N -0.671 119.702 120.400 -0.045 0.000 1.973 136 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 136 K C 1.540 178.059 176.600 -0.134 0.000 1.045 136 K CA 1.439 57.632 56.287 -0.157 0.000 0.937 136 K CB -0.199 32.051 32.500 -0.418 0.000 0.721 136 K HN 0.225 nan 8.250 nan 0.000 0.438 137 Y N 1.164 121.387 120.300 -0.128 0.000 2.553 137 Y HA 0.148 4.698 4.550 -0.000 0.000 0.303 137 Y C -0.150 175.723 175.900 -0.045 0.000 1.194 137 Y CA 0.246 58.301 58.100 -0.075 0.000 1.305 137 Y CB -0.326 38.120 38.460 -0.024 0.000 1.045 137 Y HN 0.100 nan 8.280 nan 0.000 0.514 138 R N -0.103 120.443 120.500 0.077 0.000 3.092 138 R HA -0.172 4.168 4.340 -0.000 0.000 0.245 138 R C 0.141 176.475 176.300 0.057 0.000 0.881 138 R CA 0.292 56.417 56.100 0.042 0.000 0.614 138 R CB -1.490 28.814 30.300 0.007 0.000 1.128 138 R HN 0.331 nan 8.270 nan 0.000 0.483 139 A N 0.581 123.443 122.820 0.071 0.000 2.257 139 A HA 0.595 4.915 4.320 -0.000 0.000 0.289 139 A C 1.001 178.601 177.584 0.025 0.000 1.095 139 A CA -0.384 51.684 52.037 0.051 0.000 0.836 139 A CB 0.703 19.733 19.000 0.050 0.000 1.111 139 A HN 0.438 nan 8.150 nan 0.000 0.497 140 R N -0.759 119.748 120.500 0.012 0.000 2.650 140 R HA 0.160 4.500 4.340 -0.000 0.000 0.212 140 R C -0.233 176.082 176.300 0.025 0.000 0.904 140 R CA 0.465 56.568 56.100 0.005 0.000 1.021 140 R CB 0.387 30.673 30.300 -0.024 0.000 1.519 140 R HN 0.770 nan 8.270 nan 0.000 0.639 141 R N 1.003 121.518 120.500 0.025 0.000 2.480 141 R HA 0.598 4.937 4.340 -0.000 0.000 0.306 141 R C -0.815 175.573 176.300 0.146 0.000 0.958 141 R CA -0.510 55.658 56.100 0.113 0.000 0.861 141 R CB 2.742 33.002 30.300 -0.066 0.000 1.171 141 R HN -0.227 nan 8.270 nan 0.000 0.445 142 V N 0.773 120.808 119.914 0.203 0.000 3.001 142 V HA 0.569 4.689 4.120 -0.000 0.000 0.314 142 V C -0.344 175.828 176.094 0.131 0.000 1.099 142 V CA -0.865 61.504 62.300 0.114 0.000 0.989 142 V CB 2.392 34.227 31.823 0.020 0.000 1.040 142 V HN 0.761 nan 8.190 nan 0.000 0.434 143 S N 2.596 118.323 115.700 0.044 0.000 2.673 143 S HA 0.552 5.022 4.470 -0.000 0.000 0.256 143 S C -0.875 173.552 174.600 -0.288 0.000 1.141 143 S CA -0.304 57.888 58.200 -0.013 0.000 1.109 143 S CB 0.842 64.182 63.200 0.233 0.000 1.101 143 S HN 0.502 nan 8.310 nan 0.000 0.471 144 I N 2.987 123.428 120.570 -0.214 0.000 2.371 144 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 144 I C 0.323 176.333 176.117 -0.180 0.000 1.028 144 I CA -0.134 61.008 61.300 -0.262 0.000 1.345 144 I CB 0.519 38.477 38.000 -0.070 0.000 1.407 144 I HN 0.419 nan 8.210 nan 0.000 0.501 145 D N 4.472 124.709 120.400 -0.272 0.000 2.168 145 D HA 0.294 4.934 4.640 -0.000 0.000 0.246 145 D C 0.196 176.563 176.300 0.112 0.000 1.050 145 D CA 0.007 53.968 54.000 -0.064 0.000 0.857 145 D CB 1.104 41.864 40.800 -0.065 0.000 1.169 145 D HN 0.652 nan 8.370 nan 0.000 0.453 146 S N 1.121 116.900 115.700 0.133 0.000 3.559 146 S HA -0.239 4.230 4.470 -0.000 0.000 0.369 146 S C 1.379 176.084 174.600 0.175 0.000 0.987 146 S CA 0.742 59.032 58.200 0.149 0.000 1.187 146 S CB -2.736 60.544 63.200 0.134 0.000 0.914 146 S HN 0.844 nan 8.310 nan 0.000 0.480 147 V N -0.778 119.259 119.914 0.205 0.000 2.546 147 V HA -0.205 3.915 4.120 -0.000 0.000 0.254 147 V C 2.218 178.348 176.094 0.061 0.000 1.076 147 V CA 2.431 64.805 62.300 0.124 0.000 1.087 147 V CB -1.593 30.373 31.823 0.238 0.000 0.674 147 V HN 0.766 nan 8.190 nan 0.000 0.470 148 T N 1.907 116.575 114.554 0.190 0.000 2.720 148 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 148 T C 1.961 176.765 174.700 0.173 0.000 1.037 148 T CA 2.259 64.528 62.100 0.282 0.000 1.144 148 T CB -0.674 68.320 68.868 0.209 0.000 0.864 148 T HN 0.944 nan 8.240 nan 0.000 0.444 149 S N 0.776 116.487 115.700 0.019 0.000 2.595 149 S HA 0.027 4.497 4.470 -0.000 0.000 0.235 149 S C 1.884 176.351 174.600 -0.222 0.000 0.974 149 S CA 0.265 58.434 58.200 -0.051 0.000 0.942 149 S CB -0.501 62.687 63.200 -0.019 0.000 0.766 149 S HN 0.277 nan 8.310 nan 0.000 0.536 150 V N 0.135 119.783 119.914 -0.443 0.000 2.725 150 V HA 0.182 4.302 4.120 -0.000 0.000 0.247 150 V C 1.349 177.079 176.094 -0.608 0.000 1.058 150 V CA 1.013 62.868 62.300 -0.742 0.000 1.080 150 V CB -0.472 30.561 31.823 -1.317 0.000 0.713 150 V HN 0.594 nan 8.190 nan 0.000 0.465 151 F N -0.892 118.895 119.950 -0.273 0.000 2.743 151 F HA 0.231 4.758 4.527 -0.000 0.000 0.297 151 F C 1.500 177.202 175.800 -0.163 0.000 1.131 151 F CA 0.059 57.920 58.000 -0.233 0.000 1.426 151 F CB -0.115 38.661 39.000 -0.374 0.000 1.116 151 F HN 0.069 nan 8.300 nan 0.000 0.583 152 Q N 1.955 121.767 119.800 0.020 0.000 3.159 152 Q HA 0.076 4.416 4.340 -0.000 0.000 0.280 152 Q C 0.420 176.313 176.000 -0.179 0.000 1.403 152 Q CA 0.429 56.227 55.803 -0.010 0.000 0.957 152 Q CB 0.082 28.828 28.738 0.013 0.000 1.729 152 Q HN 0.631 nan 8.270 nan 0.000 0.551 153 Q N 0.038 119.646 119.800 -0.320 0.000 2.536 153 Q HA 0.099 4.439 4.340 -0.000 0.000 0.212 153 Q C -0.838 174.556 176.000 -1.009 0.000 0.743 153 Q CA 0.176 55.479 55.803 -0.834 0.000 0.929 153 Q CB 1.204 29.258 28.738 -1.140 0.000 1.313 153 Q HN 0.461 nan 8.270 nan 0.000 0.524 154 Y N -0.199 120.125 120.300 0.041 0.000 1.936 154 Y HA 0.438 4.988 4.550 -0.000 0.000 0.310 154 Y C -2.004 173.934 175.900 0.065 0.000 1.161 154 Y CA -1.485 56.645 58.100 0.051 0.000 1.791 154 Y CB -0.651 37.826 38.460 0.028 0.000 1.257 154 Y HN -0.091 nan 8.280 nan 0.000 0.382 155 D N 1.171 121.722 120.400 0.252 0.000 2.655 155 D HA 0.737 5.377 4.640 -0.000 0.000 0.229 155 D C -0.731 175.671 176.300 0.169 0.000 1.229 155 D CA -0.570 53.549 54.000 0.198 0.000 0.807 155 D CB 2.785 43.694 40.800 0.181 0.000 1.514 155 D HN 0.628 nan 8.370 nan 0.000 0.444 156 A N 0.241 123.138 122.820 0.128 0.000 2.256 156 A HA 0.518 4.838 4.320 -0.000 0.000 0.318 156 A C 1.373 179.023 177.584 0.110 0.000 1.103 156 A CA 0.176 52.288 52.037 0.125 0.000 0.860 156 A CB 0.835 19.888 19.000 0.088 0.000 1.182 156 A HN 0.546 nan 8.150 nan 0.000 0.501 157 S N 0.683 116.469 115.700 0.143 0.000 2.368 157 S HA -0.255 4.215 4.470 -0.000 0.000 0.226 157 S C 1.907 176.532 174.600 0.042 0.000 1.044 157 S CA 2.245 60.523 58.200 0.130 0.000 1.062 157 S CB -1.306 61.967 63.200 0.122 0.000 0.931 157 S HN 1.626 nan 8.310 nan 0.000 0.440 158 S N 1.380 117.106 115.700 0.043 0.000 2.440 158 S HA -0.026 4.444 4.470 -0.000 0.000 0.238 158 S C 1.738 176.355 174.600 0.028 0.000 1.010 158 S CA 0.997 59.214 58.200 0.029 0.000 0.972 158 S CB -0.932 62.286 63.200 0.029 0.000 0.774 158 S HN 0.432 nan 8.310 nan 0.000 0.501 159 V N 1.136 121.069 119.914 0.032 0.000 2.719 159 V HA -0.018 4.102 4.120 -0.000 0.000 0.252 159 V C 2.469 178.590 176.094 0.046 0.000 1.065 159 V CA 1.081 63.413 62.300 0.053 0.000 1.086 159 V CB -0.466 31.405 31.823 0.080 0.000 0.700 159 V HN 0.465 nan 8.190 nan 0.000 0.467 160 V N 0.315 120.175 119.914 -0.089 0.000 2.488 160 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 160 V C 2.503 178.517 176.094 -0.134 0.000 1.046 160 V CA 1.890 64.010 62.300 -0.300 0.000 1.053 160 V CB -0.717 30.599 31.823 -0.845 0.000 0.679 160 V HN 0.516 nan 8.190 nan 0.000 0.458 161 R N 0.552 121.018 120.500 -0.056 0.000 2.152 161 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 161 R C 2.277 178.636 176.300 0.098 0.000 1.117 161 R CA 1.537 57.645 56.100 0.012 0.000 0.981 161 R CB -0.099 30.206 30.300 0.009 0.000 0.870 161 R HN 0.436 nan 8.270 nan 0.000 0.451 162 R N -0.529 120.039 120.500 0.114 0.000 2.223 162 R HA 0.066 4.406 4.340 -0.000 0.000 0.198 162 R C 1.668 178.081 176.300 0.187 0.000 0.984 162 R CA 0.429 56.630 56.100 0.169 0.000 1.018 162 R CB 0.204 30.577 30.300 0.121 0.000 0.945 162 R HN 0.211 nan 8.270 nan 0.000 0.479 163 E N 1.008 121.331 120.200 0.205 0.000 2.112 163 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 163 E C 2.063 178.786 176.600 0.206 0.000 0.979 163 E CA 0.714 57.234 56.400 0.201 0.000 0.814 163 E CB 0.122 29.983 29.700 0.269 0.000 0.762 163 E HN 0.288 nan 8.360 nan 0.000 0.460 164 L N 0.032 121.420 121.223 0.275 0.000 1.973 164 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 164 L C 2.442 179.434 176.870 0.203 0.000 1.073 164 L CA 0.966 55.949 54.840 0.239 0.000 0.746 164 L CB -0.564 41.617 42.059 0.203 0.000 0.891 164 L HN 0.059 nan 8.230 nan 0.000 0.433 165 F N 1.161 121.151 119.950 0.067 0.000 2.271 165 F HA -0.277 4.250 4.527 -0.000 0.000 0.302 165 F C 2.641 178.468 175.800 0.046 0.000 1.063 165 F CA 1.530 59.560 58.000 0.050 0.000 1.362 165 F CB -0.425 38.602 39.000 0.045 0.000 1.060 165 F HN -0.026 nan 8.300 nan 0.000 0.521 166 R N -0.380 120.115 120.500 -0.008 0.000 2.073 166 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 166 R C 2.144 178.379 176.300 -0.108 0.000 1.120 166 R CA 1.467 57.504 56.100 -0.105 0.000 0.967 166 R CB -0.492 29.805 30.300 -0.005 0.000 0.862 166 R HN 0.404 nan 8.270 nan 0.000 0.436 167 L N 0.460 121.667 121.223 -0.026 0.000 1.982 167 L HA -0.100 4.240 4.340 -0.000 0.000 0.206 167 L C 2.196 179.045 176.870 -0.036 0.000 1.078 167 L CA 1.536 56.369 54.840 -0.012 0.000 0.749 167 L CB -0.670 41.414 42.059 0.041 0.000 0.894 167 L HN -0.008 nan 8.230 nan 0.000 0.436 168 V N 0.618 120.527 119.914 -0.008 0.000 2.278 168 V HA -0.406 3.714 4.120 -0.000 0.000 0.251 168 V C 2.787 178.839 176.094 -0.070 0.000 1.062 168 V CA 1.947 64.245 62.300 -0.003 0.000 1.038 168 V CB -1.732 30.131 31.823 0.067 0.000 0.646 168 V HN 0.665 nan 8.190 nan 0.000 0.447 169 A N 0.203 122.897 122.820 -0.210 0.000 1.863 169 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 169 A C 2.344 179.835 177.584 -0.155 0.000 1.233 169 A CA 2.460 54.315 52.037 -0.304 0.000 0.655 169 A CB -0.691 17.948 19.000 -0.602 0.000 0.839 169 A HN 0.446 nan 8.150 nan 0.000 0.454 170 R N -0.613 119.805 120.500 -0.136 0.000 2.115 170 R HA -0.158 4.182 4.340 -0.000 0.000 0.239 170 R C 2.195 178.470 176.300 -0.042 0.000 1.133 170 R CA 1.722 57.777 56.100 -0.074 0.000 0.935 170 R CB -1.340 28.927 30.300 -0.056 0.000 0.853 170 R HN 0.631 nan 8.270 nan 0.000 0.433 171 L N 0.840 122.044 121.223 -0.032 0.000 2.189 171 L HA -0.193 4.147 4.340 -0.000 0.000 0.214 171 L C 2.658 179.525 176.870 -0.005 0.000 1.097 171 L CA 1.375 56.208 54.840 -0.012 0.000 0.764 171 L CB -0.313 41.743 42.059 -0.005 0.000 0.900 171 L HN 0.241 nan 8.230 nan 0.000 0.436 172 K N -0.383 120.010 120.400 -0.012 0.000 2.167 172 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 172 K C 2.082 178.681 176.600 -0.000 0.000 1.052 172 K CA 0.805 57.093 56.287 0.002 0.000 0.956 172 K CB 0.135 32.640 32.500 0.008 0.000 0.735 172 K HN 0.339 nan 8.250 nan 0.000 0.451 173 Q N 0.441 120.234 119.800 -0.013 0.000 2.016 173 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 173 Q C 2.035 178.034 176.000 -0.001 0.000 0.978 173 Q CA 1.219 57.017 55.803 -0.009 0.000 0.833 173 Q CB -0.054 28.672 28.738 -0.020 0.000 0.895 173 Q HN 0.288 nan 8.270 nan 0.000 0.427 174 I N -0.461 120.108 120.570 -0.002 0.000 2.185 174 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 174 I C 1.851 177.973 176.117 0.009 0.000 1.088 174 I CA 2.175 63.479 61.300 0.006 0.000 1.347 174 I CB -1.413 36.592 38.000 0.008 0.000 1.041 174 I HN 0.571 nan 8.210 nan 0.000 0.415 175 G N -0.318 108.488 108.800 0.009 0.000 2.238 175 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 175 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 175 G C 0.652 175.562 174.900 0.016 0.000 0.996 175 G CA 0.215 45.322 45.100 0.012 0.000 0.632 175 G HN 0.773 nan 8.290 nan 0.000 0.503 176 A N 0.472 123.303 122.820 0.018 0.000 2.547 176 A HA 0.529 4.849 4.320 -0.000 0.000 0.233 176 A C 0.746 178.352 177.584 0.037 0.000 1.067 176 A CA 1.623 53.676 52.037 0.027 0.000 0.763 176 A CB 0.105 19.120 19.000 0.025 0.000 1.007 176 A HN 1.017 nan 8.150 nan 0.000 0.506 177 T N 2.280 116.870 114.554 0.060 0.000 2.749 177 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 177 T C 0.224 174.978 174.700 0.089 0.000 0.970 177 T CA -0.156 61.991 62.100 0.079 0.000 0.980 177 T CB 0.810 69.750 68.868 0.120 0.000 0.924 177 T HN 0.810 nan 8.240 nan 0.000 0.456 178 T N 0.442 115.009 114.554 0.022 0.000 2.950 178 T HA 0.771 5.121 4.350 -0.000 0.000 0.288 178 T C -0.494 174.126 174.700 -0.134 0.000 1.035 178 T CA -0.876 61.211 62.100 -0.022 0.000 1.028 178 T CB 1.648 70.510 68.868 -0.011 0.000 1.109 178 T HN 0.350 nan 8.240 nan 0.000 0.514 179 V N 1.583 121.406 119.914 -0.152 0.000 2.612 179 V HA 0.444 4.564 4.120 -0.000 0.000 0.301 179 V C -0.909 175.142 176.094 -0.071 0.000 1.059 179 V CA -0.660 61.526 62.300 -0.189 0.000 0.886 179 V CB 1.763 33.350 31.823 -0.393 0.000 1.007 179 V HN 0.879 nan 8.190 nan 0.000 0.426 180 M N 3.470 123.050 119.600 -0.033 0.000 2.227 180 M HA 0.459 4.939 4.480 -0.000 0.000 0.335 180 M C -0.086 176.229 176.300 0.024 0.000 1.053 180 M CA -0.312 54.992 55.300 0.006 0.000 0.973 180 M CB 2.225 34.841 32.600 0.028 0.000 1.623 180 M HN 0.554 nan 8.290 nan 0.000 0.434 181 T N 2.234 116.815 114.554 0.046 0.000 2.910 181 T HA 0.601 4.951 4.350 -0.000 0.000 0.293 181 T C -0.216 174.525 174.700 0.069 0.000 1.015 181 T CA -0.313 61.825 62.100 0.063 0.000 1.094 181 T CB 0.829 69.748 68.868 0.085 0.000 0.968 181 T HN 0.735 nan 8.240 nan 0.000 0.521 182 T N 1.015 115.602 114.554 0.055 0.000 2.942 182 T HA 0.419 4.769 4.350 -0.000 0.000 0.327 182 T C -1.196 173.531 174.700 0.044 0.000 1.360 182 T CA -1.270 60.864 62.100 0.057 0.000 1.055 182 T CB 1.670 70.558 68.868 0.033 0.000 1.261 182 T HN 0.640 nan 8.240 nan 0.000 0.485 183 E N 1.798 122.029 120.200 0.051 0.000 2.214 183 E HA 0.743 5.093 4.350 -0.000 0.000 0.274 183 E C -0.690 175.910 176.600 0.001 0.000 0.977 183 E CA -1.130 55.289 56.400 0.031 0.000 0.827 183 E CB 1.955 31.680 29.700 0.042 0.000 1.130 183 E HN 0.459 nan 8.360 nan 0.000 0.394 184 R N 1.008 121.499 120.500 -0.015 0.000 2.867 184 R HA 0.361 4.701 4.340 -0.000 0.000 0.268 184 R C 0.461 176.740 176.300 -0.036 0.000 1.014 184 R CA -0.686 55.392 56.100 -0.038 0.000 0.946 184 R CB 1.305 31.579 30.300 -0.043 0.000 1.208 184 R HN 0.633 nan 8.270 nan 0.000 0.477 185 I N -2.836 117.707 120.570 -0.044 0.000 4.403 185 I HA 0.321 4.491 4.170 -0.000 0.000 0.331 185 I C 0.030 176.130 176.117 -0.029 0.000 1.327 185 I CA 0.466 61.745 61.300 -0.035 0.000 1.175 185 I CB 0.300 38.276 38.000 -0.041 0.000 1.165 185 I HN 0.426 nan 8.210 nan 0.000 0.413 186 E N 2.339 122.520 120.200 -0.031 0.000 2.176 186 E HA 0.238 4.588 4.350 -0.000 0.000 0.267 186 E C 0.254 176.833 176.600 -0.034 0.000 0.893 186 E CA -0.033 56.358 56.400 -0.015 0.000 0.761 186 E CB 2.671 32.371 29.700 -0.000 0.000 1.133 186 E HN 0.079 nan 8.360 nan 0.000 0.409 187 E N 2.782 122.955 120.200 -0.046 0.000 2.077 187 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 187 E C -0.135 176.304 176.600 -0.268 0.000 0.989 187 E CA 1.440 57.736 56.400 -0.173 0.000 0.800 187 E CB 0.020 29.592 29.700 -0.213 0.000 0.746 187 E HN 0.450 nan 8.360 nan 0.000 0.452 188 Y N -0.989 119.301 120.300 -0.017 0.000 2.635 188 Y HA 0.528 5.078 4.550 -0.000 0.000 0.373 188 Y C 0.583 176.474 175.900 -0.016 0.000 1.000 188 Y CA -0.245 57.845 58.100 -0.017 0.000 1.219 188 Y CB 1.194 39.644 38.460 -0.016 0.000 1.294 188 Y HN 0.085 nan 8.280 nan 0.000 0.612 189 G N 0.141 108.988 108.800 0.079 0.000 3.420 189 G HA2 0.286 4.246 3.960 -0.000 0.000 0.183 189 G HA3 0.286 4.246 3.960 -0.000 0.000 0.183 189 G C -2.287 172.622 174.900 0.014 0.000 1.315 189 G CA -0.529 44.599 45.100 0.047 0.000 0.958 189 G HN 0.081 nan 8.290 nan 0.000 0.745 190 P HA 0.281 nan 4.420 nan 0.000 0.272 190 P C 0.110 177.387 177.300 -0.039 0.000 1.248 190 P CA 0.057 63.142 63.100 -0.025 0.000 0.799 190 P CB 1.282 32.954 31.700 -0.048 0.000 0.997 191 I N -1.310 119.225 120.570 -0.058 0.000 4.057 191 I HA 0.311 4.481 4.170 -0.000 0.000 0.334 191 I C 0.721 176.795 176.117 -0.070 0.000 1.308 191 I CA 0.214 61.468 61.300 -0.077 0.000 1.125 191 I CB 0.287 38.214 38.000 -0.122 0.000 1.034 191 I HN 0.388 nan 8.210 nan 0.000 0.401 192 A N 0.176 122.960 122.820 -0.060 0.000 2.580 192 A HA 0.396 4.716 4.320 -0.000 0.000 0.301 192 A C 0.610 178.154 177.584 -0.066 0.000 1.054 192 A CA -0.684 51.330 52.037 -0.038 0.000 0.751 192 A CB 0.645 19.637 19.000 -0.015 0.000 1.275 192 A HN 0.108 nan 8.150 nan 0.000 0.403 193 R N 0.141 120.566 120.500 -0.124 0.000 2.279 193 R HA -0.296 4.044 4.340 -0.000 0.000 0.264 193 R C 0.655 176.614 176.300 -0.568 0.000 1.138 193 R CA 2.915 58.786 56.100 -0.381 0.000 0.981 193 R CB -0.476 29.467 30.300 -0.594 0.000 0.909 193 R HN 0.806 nan 8.270 nan 0.000 0.462 194 Y N -0.997 119.244 120.300 -0.097 0.000 2.457 194 Y HA 0.274 4.824 4.550 -0.000 0.000 0.263 194 Y C 1.600 177.465 175.900 -0.058 0.000 1.164 194 Y CA 0.156 58.200 58.100 -0.093 0.000 1.274 194 Y CB 0.238 38.598 38.460 -0.166 0.000 1.097 194 Y HN 0.213 nan 8.280 nan 0.000 0.523 195 G N 0.542 109.354 108.800 0.019 0.000 2.380 195 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.298 195 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.298 195 G C 0.738 175.689 174.900 0.085 0.000 0.989 195 G CA 1.126 46.242 45.100 0.026 0.000 0.836 195 G HN 0.366 nan 8.290 nan 0.000 0.511 196 V N -1.334 118.622 119.914 0.071 0.000 3.219 196 V HA 0.082 4.201 4.120 -0.000 0.000 0.240 196 V C 2.310 178.410 176.094 0.009 0.000 1.222 196 V CA 1.588 63.942 62.300 0.091 0.000 1.181 196 V CB 0.200 32.062 31.823 0.066 0.000 0.941 196 V HN 0.344 nan 8.190 nan 0.000 0.471 197 E N 0.927 121.095 120.200 -0.053 0.000 2.130 197 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 197 E C 1.807 178.332 176.600 -0.125 0.000 0.998 197 E CA 1.516 57.873 56.400 -0.072 0.000 0.806 197 E CB -0.301 29.357 29.700 -0.069 0.000 0.738 197 E HN 0.587 nan 8.360 nan 0.000 0.459 198 E N 0.027 120.072 120.200 -0.259 0.000 2.110 198 E HA -0.225 4.125 4.350 -0.000 0.000 0.225 198 E C 1.043 177.306 176.600 -0.562 0.000 1.063 198 E CA 1.722 57.786 56.400 -0.560 0.000 0.906 198 E CB -0.480 28.561 29.700 -1.097 0.000 0.795 198 E HN 0.383 nan 8.360 nan 0.000 0.479 199 F N -0.613 119.331 119.950 -0.010 0.000 2.696 199 F HA 0.154 4.681 4.527 -0.000 0.000 0.296 199 F C 0.893 176.677 175.800 -0.027 0.000 1.181 199 F CA -0.122 57.867 58.000 -0.019 0.000 1.411 199 F CB 0.221 39.201 39.000 -0.033 0.000 1.014 199 F HN -0.133 nan 8.300 nan 0.000 0.512 200 V N -2.105 117.841 119.914 0.053 0.000 3.432 200 V HA 0.173 4.293 4.120 -0.000 0.000 0.298 200 V C 0.670 176.821 176.094 0.095 0.000 1.464 200 V CA 0.090 62.439 62.300 0.081 0.000 1.046 200 V CB 0.080 31.953 31.823 0.085 0.000 0.887 200 V HN 0.139 nan 8.190 nan 0.000 0.441 201 S N 0.123 115.848 115.700 0.041 0.000 2.621 201 S HA 0.414 4.884 4.470 -0.000 0.000 0.302 201 S C 0.411 175.038 174.600 0.044 0.000 1.093 201 S CA -0.572 57.650 58.200 0.038 0.000 1.017 201 S CB 2.020 65.217 63.200 -0.006 0.000 1.077 201 S HN 0.290 nan 8.310 nan 0.000 0.517 202 D N 0.849 121.280 120.400 0.051 0.000 2.327 202 D HA 0.098 4.738 4.640 -0.000 0.000 0.205 202 D C -0.374 175.953 176.300 0.045 0.000 0.989 202 D CA 0.742 54.776 54.000 0.057 0.000 0.873 202 D CB 0.253 41.090 40.800 0.063 0.000 0.955 202 D HN 0.390 nan 8.370 nan 0.000 0.515 203 N N 0.499 119.216 118.700 0.028 0.000 2.310 203 N HA 0.286 5.026 4.740 -0.000 0.000 0.292 203 N C -1.012 174.490 175.510 -0.013 0.000 1.049 203 N CA -0.337 52.724 53.050 0.019 0.000 0.849 203 N CB 3.244 41.754 38.487 0.038 0.000 1.532 203 N HN -0.264 nan 8.380 nan 0.000 0.479 204 V N 1.121 121.013 119.914 -0.037 0.000 2.531 204 V HA 0.539 4.658 4.120 -0.000 0.000 0.301 204 V C -0.182 175.866 176.094 -0.076 0.000 1.034 204 V CA -0.780 61.481 62.300 -0.065 0.000 0.865 204 V CB 2.107 33.873 31.823 -0.095 0.000 0.995 204 V HN 0.358 nan 8.190 nan 0.000 0.424 205 V N 5.756 125.623 119.914 -0.077 0.000 2.588 205 V HA 0.597 4.717 4.120 -0.000 0.000 0.304 205 V C -0.825 175.207 176.094 -0.104 0.000 1.042 205 V CA -0.423 61.824 62.300 -0.088 0.000 0.877 205 V CB 2.052 33.830 31.823 -0.076 0.000 0.996 205 V HN 0.732 nan 8.190 nan 0.000 0.425 206 I N 5.413 125.933 120.570 -0.083 0.000 2.474 206 I HA 0.508 4.678 4.170 -0.000 0.000 0.294 206 I C -0.360 175.731 176.117 -0.044 0.000 1.005 206 I CA -0.310 60.947 61.300 -0.072 0.000 1.113 206 I CB 1.753 39.713 38.000 -0.067 0.000 1.289 206 I HN 0.317 nan 8.210 nan 0.000 0.436 207 L N 5.904 127.112 121.223 -0.026 0.000 2.313 207 L HA 0.645 4.984 4.340 -0.000 0.000 0.283 207 L C -0.144 176.749 176.870 0.038 0.000 1.013 207 L CA -0.714 54.175 54.840 0.082 0.000 0.816 207 L CB 1.343 43.468 42.059 0.109 0.000 1.236 207 L HN 0.530 nan 8.230 nan 0.000 0.419 208 R N 1.953 122.462 120.500 0.014 0.000 2.599 208 R HA 0.300 4.640 4.340 -0.000 0.000 0.295 208 R C -0.465 175.756 176.300 -0.131 0.000 0.963 208 R CA -0.487 55.546 56.100 -0.112 0.000 0.883 208 R CB 2.287 32.435 30.300 -0.252 0.000 1.171 208 R HN 0.605 nan 8.270 nan 0.000 0.450 209 N N 2.697 121.329 118.700 -0.114 0.000 2.886 209 N HA 0.128 4.868 4.740 -0.000 0.000 0.285 209 N C -0.958 174.497 175.510 -0.092 0.000 1.706 209 N CA -0.243 52.742 53.050 -0.108 0.000 0.904 209 N CB 0.832 39.293 38.487 -0.044 0.000 1.224 209 N HN 0.164 nan 8.380 nan 0.000 0.488 210 V N 2.322 122.172 119.914 -0.107 0.000 2.637 210 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 210 V C 0.744 176.826 176.094 -0.020 0.000 1.046 210 V CA -0.370 61.898 62.300 -0.053 0.000 1.066 210 V CB 0.765 32.586 31.823 -0.003 0.000 0.968 210 V HN 0.432 nan 8.190 nan 0.000 0.483 211 L N 4.058 125.281 121.223 -0.000 0.000 2.469 211 L HA 0.681 5.021 4.340 -0.000 0.000 0.253 211 L C -0.011 176.867 176.870 0.014 0.000 1.143 211 L CA 0.258 55.098 54.840 0.001 0.000 0.804 211 L CB 0.978 43.038 42.059 0.002 0.000 1.214 211 L HN 0.952 nan 8.230 nan 0.000 0.476 212 E N 1.721 121.924 120.200 0.005 0.000 3.683 212 E HA 0.175 4.525 4.350 -0.000 0.000 0.388 212 E C -0.113 176.485 176.600 -0.004 0.000 1.016 212 E CA 0.314 56.717 56.400 0.006 0.000 0.784 212 E CB -0.227 29.479 29.700 0.011 0.000 1.309 212 E HN 1.034 nan 8.360 nan 0.000 0.485 213 G N 4.966 113.762 108.800 -0.006 0.000 2.390 213 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.299 213 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.299 213 G C 0.553 175.445 174.900 -0.013 0.000 1.002 213 G CA 1.272 46.365 45.100 -0.011 0.000 0.979 213 G HN 0.786 nan 8.290 nan 0.000 0.513 214 E N -3.044 117.150 120.200 -0.011 0.000 4.071 214 E HA -0.214 4.136 4.350 -0.000 0.000 0.355 214 E C 0.756 177.348 176.600 -0.014 0.000 0.653 214 E CA 1.309 57.702 56.400 -0.013 0.000 1.298 214 E CB -0.754 28.936 29.700 -0.015 0.000 1.712 214 E HN 0.635 nan 8.360 nan 0.000 0.416 215 R N 1.375 121.867 120.500 -0.014 0.000 2.368 215 R HA 0.393 4.733 4.340 -0.000 0.000 0.302 215 R C 0.269 176.558 176.300 -0.018 0.000 1.002 215 R CA -0.502 55.589 56.100 -0.016 0.000 0.929 215 R CB 0.810 31.101 30.300 -0.015 0.000 1.073 215 R HN -0.001 nan 8.270 nan 0.000 0.464 216 R N 2.352 122.838 120.500 -0.023 0.000 2.294 216 R HA 0.335 4.675 4.340 -0.000 0.000 0.319 216 R C 0.040 176.310 176.300 -0.050 0.000 0.984 216 R CA -0.524 55.557 56.100 -0.033 0.000 0.861 216 R CB 1.789 32.071 30.300 -0.030 0.000 1.104 216 R HN 0.497 nan 8.270 nan 0.000 0.451 217 R N 3.427 123.887 120.500 -0.067 0.000 2.476 217 R HA 0.344 4.684 4.340 -0.000 0.000 0.305 217 R C -0.605 175.587 176.300 -0.179 0.000 0.965 217 R CA -0.660 55.382 56.100 -0.096 0.000 0.867 217 R CB 1.312 31.578 30.300 -0.057 0.000 1.176 217 R HN 0.580 nan 8.270 nan 0.000 0.447 218 R N 2.148 122.459 120.500 -0.315 0.000 2.457 218 R HA 0.425 4.765 4.340 -0.000 0.000 0.284 218 R C -0.406 175.510 176.300 -0.639 0.000 1.024 218 R CA -0.649 55.059 56.100 -0.653 0.000 1.025 218 R CB 1.607 31.160 30.300 -1.244 0.000 1.063 218 R HN 0.772 nan 8.270 nan 0.000 0.493 219 T N -1.166 113.071 114.554 -0.529 0.000 2.792 219 T HA 0.573 4.923 4.350 -0.000 0.000 0.303 219 T C -0.971 173.849 174.700 0.200 0.000 1.310 219 T CA -0.995 61.038 62.100 -0.111 0.000 1.007 219 T CB 1.619 70.456 68.868 -0.053 0.000 1.335 219 T HN 0.541 nan 8.240 nan 0.000 0.504 220 L N 0.264 121.671 121.223 0.307 0.000 2.455 220 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 220 L C -1.362 175.617 176.870 0.182 0.000 0.968 220 L CA -0.486 54.526 54.840 0.288 0.000 0.827 220 L CB 2.025 44.312 42.059 0.379 0.000 1.317 220 L HN 1.062 nan 8.230 nan 0.000 0.407 221 E N 4.398 124.647 120.200 0.081 0.000 2.308 221 E HA 0.415 4.765 4.350 -0.000 0.000 0.275 221 E C -1.580 174.993 176.600 -0.046 0.000 0.890 221 E CA -0.670 55.756 56.400 0.043 0.000 0.754 221 E CB 2.191 31.901 29.700 0.017 0.000 1.207 221 E HN 0.646 nan 8.360 nan 0.000 0.426 222 I N 6.654 127.147 120.570 -0.127 0.000 2.313 222 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 222 I C 1.320 177.183 176.117 -0.424 0.000 1.091 222 I CA -0.201 60.919 61.300 -0.299 0.000 1.216 222 I CB 0.685 38.421 38.000 -0.440 0.000 1.434 222 I HN 0.701 nan 8.210 nan 0.000 0.487 223 L N 5.733 126.831 121.223 -0.208 0.000 1.970 223 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 223 L C 0.958 177.792 176.870 -0.059 0.000 1.071 223 L CA 1.715 56.495 54.840 -0.100 0.000 0.751 223 L CB 0.065 42.089 42.059 -0.060 0.000 0.889 223 L HN 0.589 nan 8.230 nan 0.000 0.432 224 K N -1.038 119.316 120.400 -0.076 0.000 2.527 224 K HA 0.553 4.873 4.320 -0.000 0.000 0.260 224 K C -1.526 175.111 176.600 0.060 0.000 0.937 224 K CA -0.738 55.596 56.287 0.078 0.000 0.826 224 K CB 1.926 34.476 32.500 0.082 0.000 1.359 224 K HN -0.028 nan 8.250 nan 0.000 0.434 225 L N 3.133 124.472 121.223 0.194 0.000 2.504 225 L HA 0.441 4.781 4.340 -0.000 0.000 0.265 225 L C -0.543 176.401 176.870 0.124 0.000 0.975 225 L CA -0.890 54.043 54.840 0.155 0.000 0.864 225 L CB 1.986 44.175 42.059 0.218 0.000 1.212 225 L HN 0.650 nan 8.230 nan 0.000 0.416 226 R N 1.339 121.890 120.500 0.084 0.000 2.590 226 R HA 0.306 4.646 4.340 -0.000 0.000 0.274 226 R C 1.201 177.531 176.300 0.050 0.000 1.061 226 R CA 0.883 57.021 56.100 0.064 0.000 1.081 226 R CB 0.501 30.837 30.300 0.061 0.000 0.984 226 R HN 0.901 nan 8.270 nan 0.000 0.448 227 G N 1.044 109.863 108.800 0.033 0.000 2.168 227 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 227 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 227 G C 0.193 175.101 174.900 0.013 0.000 0.977 227 G CA 0.867 45.981 45.100 0.023 0.000 0.659 227 G HN 0.822 nan 8.290 nan 0.000 0.533 228 T N -3.093 111.462 114.554 0.001 0.000 2.671 228 T HA 0.770 5.120 4.350 -0.000 0.000 0.300 228 T C -0.106 174.530 174.700 -0.106 0.000 1.238 228 T CA 0.531 62.617 62.100 -0.022 0.000 1.020 228 T CB 1.518 70.395 68.868 0.015 0.000 1.503 228 T HN 1.529 nan 8.240 nan 0.000 0.497 229 S N 0.349 115.950 115.700 -0.165 0.000 2.608 229 S HA 0.874 5.344 4.470 -0.000 0.000 0.291 229 S C -0.596 173.681 174.600 -0.539 0.000 1.146 229 S CA -0.572 57.400 58.200 -0.379 0.000 1.043 229 S CB 0.635 63.640 63.200 -0.324 0.000 1.037 229 S HN 1.432 nan 8.310 nan 0.000 0.520 230 H N -1.058 117.696 119.070 -0.526 0.000 2.933 230 H HA 0.534 5.090 4.556 -0.000 0.000 0.310 230 H C -1.269 173.879 175.328 -0.300 0.000 1.351 230 H CA -1.326 54.431 56.048 -0.485 0.000 1.137 230 H CB 0.459 30.117 29.762 -0.173 0.000 1.853 230 H HN 0.565 nan 8.280 nan 0.000 0.539 231 M N 1.771 121.519 119.600 0.245 0.000 2.135 231 M HA 0.260 4.740 4.480 -0.000 0.000 0.345 231 M C -0.849 175.679 176.300 0.381 0.000 1.340 231 M CA -0.517 54.951 55.300 0.280 0.000 1.162 231 M CB 0.521 33.201 32.600 0.133 0.000 1.570 231 M HN 0.408 nan 8.290 nan 0.000 0.454 232 K N 2.599 123.200 120.400 0.335 0.000 2.379 232 K HA 0.533 4.852 4.320 -0.000 0.000 0.284 232 K C 0.357 177.082 176.600 0.208 0.000 1.044 232 K CA 0.408 56.856 56.287 0.269 0.000 0.974 232 K CB 0.450 33.053 32.500 0.172 0.000 0.962 232 K HN 0.877 nan 8.250 nan 0.000 0.474 233 G N 1.945 110.819 108.800 0.124 0.000 2.515 233 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 233 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 233 G C -1.262 173.550 174.900 -0.147 0.000 1.274 233 G CA -1.109 43.971 45.100 -0.033 0.000 0.874 233 G HN 0.500 nan 8.290 nan 0.000 0.631 234 E N -0.450 119.614 120.200 -0.226 0.000 2.354 234 E HA 0.493 4.843 4.350 -0.000 0.000 0.269 234 E C -0.935 175.374 176.600 -0.485 0.000 1.036 234 E CA 0.138 56.427 56.400 -0.185 0.000 0.876 234 E CB 0.853 30.510 29.700 -0.073 0.000 1.009 234 E HN 0.415 nan 8.360 nan 0.000 0.416 235 Y N 1.760 122.114 120.300 0.091 0.000 2.406 235 Y HA 0.243 4.793 4.550 -0.000 0.000 0.340 235 Y C -2.133 173.861 175.900 0.157 0.000 0.975 235 Y CA -2.798 55.373 58.100 0.120 0.000 1.056 235 Y CB 1.768 40.300 38.460 0.119 0.000 1.210 235 Y HN 0.392 nan 8.280 nan 0.000 0.448 236 P HA 0.036 nan 4.420 nan 0.000 0.271 236 P C -0.974 176.536 177.300 0.350 0.000 1.233 236 P CA 0.373 63.586 63.100 0.190 0.000 0.764 236 P CB 0.221 32.007 31.700 0.144 0.000 0.825 237 F N 1.319 121.408 119.950 0.233 0.000 2.598 237 F HA 0.855 5.382 4.527 -0.000 0.000 0.327 237 F C -0.676 175.263 175.800 0.233 0.000 1.057 237 F CA -1.196 56.962 58.000 0.264 0.000 0.957 237 F CB 1.230 40.368 39.000 0.229 0.000 1.278 237 F HN 0.312 nan 8.300 nan 0.000 0.484 238 T N 0.085 115.077 114.554 0.730 0.000 2.909 238 T HA 0.726 5.076 4.350 -0.000 0.000 0.299 238 T C -0.933 174.076 174.700 0.514 0.000 1.073 238 T CA -0.661 61.740 62.100 0.502 0.000 0.999 238 T CB 1.734 70.809 68.868 0.345 0.000 1.098 238 T HN 0.744 nan 8.240 nan 0.000 0.477 239 I N 3.036 123.844 120.570 0.396 0.000 2.355 239 I HA 0.480 4.650 4.170 -0.000 0.000 0.288 239 I C 0.764 177.012 176.117 0.219 0.000 0.999 239 I CA -0.496 61.004 61.300 0.332 0.000 1.163 239 I CB 1.606 39.804 38.000 0.330 0.000 1.316 239 I HN 1.061 nan 8.210 nan 0.000 0.454 240 T N -0.181 114.499 114.554 0.209 0.000 2.573 240 T HA 0.278 4.628 4.350 -0.000 0.000 0.259 240 T C 0.515 175.181 174.700 -0.058 0.000 0.886 240 T CA -0.582 61.567 62.100 0.082 0.000 1.110 240 T CB 1.099 70.044 68.868 0.129 0.000 1.421 240 T HN 0.390 nan 8.240 nan 0.000 0.523 241 D N 0.117 120.434 120.400 -0.138 0.000 2.371 241 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 241 D C 0.338 176.427 176.300 -0.351 0.000 0.986 241 D CA 0.837 54.620 54.000 -0.362 0.000 0.899 241 D CB -0.041 40.558 40.800 -0.335 0.000 0.902 241 D HN 0.480 nan 8.370 nan 0.000 0.530 242 H N -0.142 118.992 119.070 0.106 0.000 2.591 242 H HA 0.383 4.939 4.556 -0.000 0.000 0.241 242 H C 1.012 176.524 175.328 0.306 0.000 1.292 242 H CA 0.082 56.254 56.048 0.207 0.000 1.022 242 H CB 0.321 30.187 29.762 0.173 0.000 1.875 242 H HN 0.042 nan 8.280 nan 0.000 0.570 243 G N 0.909 110.000 108.800 0.485 0.000 2.888 243 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.441 243 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.441 243 G C 0.118 175.181 174.900 0.272 0.000 1.461 243 G CA -0.446 44.862 45.100 0.346 0.000 0.897 243 G HN 0.415 nan 8.290 nan 0.000 0.547 244 I N 0.870 121.542 120.570 0.171 0.000 2.906 244 I HA -0.048 4.122 4.170 -0.000 0.000 0.301 244 I C 0.678 176.880 176.117 0.141 0.000 1.221 244 I CA 0.743 62.105 61.300 0.105 0.000 1.435 244 I CB 0.183 38.163 38.000 -0.034 0.000 1.345 244 I HN 0.539 nan 8.210 nan 0.000 0.558 245 N N 7.049 125.870 118.700 0.203 0.000 2.576 245 N HA 0.431 5.171 4.740 -0.000 0.000 0.269 245 N C -1.024 174.598 175.510 0.188 0.000 1.058 245 N CA -0.494 52.641 53.050 0.141 0.000 0.860 245 N CB 0.727 39.312 38.487 0.163 0.000 1.249 245 N HN 0.302 nan 8.380 nan 0.000 0.525 246 I N 2.430 123.069 120.570 0.116 0.000 2.532 246 I HA 0.329 4.499 4.170 -0.000 0.000 0.292 246 I C -0.313 175.770 176.117 -0.056 0.000 1.014 246 I CA -0.111 61.318 61.300 0.214 0.000 1.340 246 I CB 0.383 38.521 38.000 0.230 0.000 1.422 246 I HN 0.381 nan 8.210 nan 0.000 0.528 247 F N 6.066 126.125 119.950 0.181 0.000 2.359 247 F HA 0.390 4.917 4.527 -0.000 0.000 0.369 247 F C -1.967 173.905 175.800 0.120 0.000 1.084 247 F CA -1.982 56.086 58.000 0.114 0.000 1.096 247 F CB 0.969 40.026 39.000 0.096 0.000 1.335 247 F HN 0.307 nan 8.300 nan 0.000 0.457 248 P HA 0.122 nan 4.420 nan 0.000 0.231 248 P C 0.928 178.296 177.300 0.113 0.000 1.756 248 P CA 0.305 63.391 63.100 -0.023 0.000 0.990 248 P CB -0.121 31.465 31.700 -0.190 0.000 1.973 249 L N -0.775 120.592 121.223 0.242 0.000 2.551 249 L HA -0.106 4.234 4.340 -0.000 0.000 0.230 249 L C 2.174 179.143 176.870 0.165 0.000 1.163 249 L CA 1.363 56.314 54.840 0.184 0.000 0.826 249 L CB -0.775 41.383 42.059 0.165 0.000 0.943 249 L HN 0.301 nan 8.230 nan 0.000 0.452 250 G N -0.788 108.150 108.800 0.231 0.000 2.545 250 G HA2 0.108 4.068 3.960 -0.000 0.000 0.212 250 G HA3 0.108 4.068 3.960 -0.000 0.000 0.212 250 G C 1.615 176.580 174.900 0.109 0.000 1.144 250 G CA 0.587 45.817 45.100 0.216 0.000 0.813 250 G HN 0.387 nan 8.290 nan 0.000 0.531 251 A N 1.089 123.932 122.820 0.039 0.000 1.881 251 A HA 0.242 4.562 4.320 -0.000 0.000 0.208 251 A C 1.592 179.185 177.584 0.015 0.000 1.264 251 A CA 0.973 53.003 52.037 -0.011 0.000 0.629 251 A CB -0.843 18.115 19.000 -0.071 0.000 0.906 251 A HN 0.595 nan 8.150 nan 0.000 0.476 252 M N 0.677 120.289 119.600 0.021 0.000 2.157 252 M HA -0.185 4.295 4.480 -0.000 0.000 0.572 252 M C -0.186 176.133 176.300 0.033 0.000 1.259 252 M CA 0.616 55.938 55.300 0.037 0.000 0.599 252 M CB -0.104 32.535 32.600 0.065 0.000 1.884 252 M HN 0.552 nan 8.290 nan 0.000 0.575 253 R N 3.781 124.295 120.500 0.023 0.000 2.652 253 R HA 0.305 4.645 4.340 -0.000 0.000 0.271 253 R C 0.247 176.560 176.300 0.022 0.000 1.129 253 R CA -0.914 55.198 56.100 0.019 0.000 1.200 253 R CB 0.292 30.597 30.300 0.010 0.000 1.146 253 R HN 0.708 nan 8.270 nan 0.000 0.581 254 L N 1.230 122.463 121.223 0.017 0.000 2.998 254 L HA 0.127 4.467 4.340 -0.000 0.000 0.234 254 L C -0.336 176.539 176.870 0.009 0.000 1.350 254 L CA 0.839 55.687 54.840 0.013 0.000 1.202 254 L CB -0.238 41.827 42.059 0.010 0.000 1.583 254 L HN 0.543 nan 8.230 nan 0.000 0.456 255 T N 0.586 115.148 114.554 0.012 0.000 3.315 255 T HA 0.291 4.641 4.350 -0.000 0.000 0.275 255 T C 0.080 174.786 174.700 0.010 0.000 1.598 255 T CA -0.347 61.758 62.100 0.009 0.000 1.368 255 T CB -0.237 68.638 68.868 0.010 0.000 1.079 255 T HN 0.219 nan 8.240 nan 0.000 0.703 256 Q N 1.403 121.207 119.800 0.006 0.000 2.230 256 Q HA 0.415 4.755 4.340 -0.000 0.000 0.253 256 Q C 0.212 176.211 176.000 -0.002 0.000 0.919 256 Q CA -0.551 55.255 55.803 0.003 0.000 0.908 256 Q CB 1.962 30.701 28.738 0.002 0.000 1.245 256 Q HN 0.396 nan 8.270 nan 0.000 0.437 257 R N 0.493 120.993 120.500 -0.000 0.000 2.641 257 R HA 0.259 4.599 4.340 -0.000 0.000 0.269 257 R C -0.272 176.028 176.300 -0.001 0.000 1.074 257 R CA 0.118 56.219 56.100 0.001 0.000 1.133 257 R CB 0.699 31.002 30.300 0.005 0.000 1.029 257 R HN 0.508 nan 8.270 nan 0.000 0.488 258 S N 1.440 117.140 115.700 0.000 0.000 2.746 258 S HA 0.244 4.714 4.470 -0.000 0.000 0.273 258 S C -1.059 173.550 174.600 0.016 0.000 1.172 258 S CA -0.691 57.505 58.200 -0.007 0.000 1.116 258 S CB 0.654 63.833 63.200 -0.034 0.000 1.057 258 S HN 0.633 nan 8.310 nan 0.000 0.483 259 S N 3.811 119.541 115.700 0.050 0.000 2.593 259 S HA 0.517 4.986 4.470 -0.000 0.000 0.297 259 S C 0.457 175.154 174.600 0.162 0.000 1.112 259 S CA -0.768 57.484 58.200 0.086 0.000 1.043 259 S CB 1.370 64.622 63.200 0.087 0.000 1.054 259 S HN 0.625 nan 8.310 nan 0.000 0.516 260 N N 0.529 119.335 118.700 0.178 0.000 2.280 260 N HA 0.145 4.885 4.740 -0.000 0.000 0.192 260 N C 0.232 175.905 175.510 0.271 0.000 1.109 260 N CA 0.055 53.286 53.050 0.302 0.000 0.855 260 N CB 0.018 38.624 38.487 0.198 0.000 0.974 260 N HN 0.509 nan 8.380 nan 0.000 0.482 261 V N 1.721 121.737 119.914 0.170 0.000 3.524 261 V HA -0.009 4.111 4.120 -0.000 0.000 0.303 261 V C 0.909 177.023 176.094 0.034 0.000 1.130 261 V CA 0.201 62.551 62.300 0.083 0.000 1.225 261 V CB 0.385 32.247 31.823 0.065 0.000 1.056 261 V HN 0.165 nan 8.190 nan 0.000 0.495 262 R N 0.286 120.761 120.500 -0.043 0.000 2.912 262 R HA 0.870 5.209 4.340 -0.000 0.000 0.262 262 R C -1.265 174.986 176.300 -0.081 0.000 1.057 262 R CA -0.632 55.394 56.100 -0.124 0.000 0.981 262 R CB 1.959 32.144 30.300 -0.193 0.000 1.201 262 R HN 0.568 nan 8.270 nan 0.000 0.484 263 V N -1.599 118.252 119.914 -0.105 0.000 3.114 263 V HA 0.501 4.621 4.120 -0.000 0.000 0.308 263 V C -0.227 175.733 176.094 -0.222 0.000 1.168 263 V CA -1.039 61.190 62.300 -0.119 0.000 1.015 263 V CB 2.034 33.823 31.823 -0.057 0.000 1.050 263 V HN 0.680 nan 8.190 nan 0.000 0.433 264 S N 0.705 116.255 115.700 -0.250 0.000 2.475 264 S HA 0.321 4.791 4.470 -0.000 0.000 0.281 264 S C 1.396 175.762 174.600 -0.391 0.000 1.198 264 S CA 0.123 58.138 58.200 -0.309 0.000 1.063 264 S CB 1.266 64.338 63.200 -0.212 0.000 0.972 264 S HN 1.305 nan 8.310 nan 0.000 0.486 265 S N 4.011 119.384 115.700 -0.546 0.000 2.419 265 S HA 0.072 4.542 4.470 -0.000 0.000 0.235 265 S C 1.533 176.071 174.600 -0.104 0.000 1.019 265 S CA 1.098 59.048 58.200 -0.418 0.000 0.982 265 S CB -0.570 62.264 63.200 -0.610 0.000 0.789 265 S HN 1.747 nan 8.310 nan 0.000 0.490 266 G N -0.644 108.062 108.800 -0.156 0.000 2.211 266 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.201 266 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.201 266 G C -0.073 174.784 174.900 -0.072 0.000 0.997 266 G CA -0.181 44.870 45.100 -0.083 0.000 0.652 266 G HN 0.896 nan 8.290 nan 0.000 0.500 267 V N 2.256 122.113 119.914 -0.096 0.000 2.340 267 V HA 0.358 4.478 4.120 -0.000 0.000 0.277 267 V C 1.698 177.736 176.094 -0.093 0.000 1.017 267 V CA -0.130 62.119 62.300 -0.085 0.000 0.820 267 V CB 1.188 32.957 31.823 -0.090 0.000 1.028 267 V HN 0.138 nan 8.190 nan 0.000 0.436 268 V N 3.724 123.593 119.914 -0.075 0.000 2.313 268 V HA -0.278 3.842 4.120 -0.000 0.000 0.253 268 V C 2.548 178.612 176.094 -0.050 0.000 1.070 268 V CA 2.434 64.695 62.300 -0.065 0.000 1.057 268 V CB -0.595 31.201 31.823 -0.045 0.000 0.653 268 V HN 0.861 nan 8.190 nan 0.000 0.450 269 R N -0.531 119.945 120.500 -0.040 0.000 2.285 269 R HA 0.008 4.347 4.340 -0.000 0.000 0.213 269 R C 1.854 178.136 176.300 -0.030 0.000 1.068 269 R CA 1.087 57.174 56.100 -0.023 0.000 1.004 269 R CB -0.449 29.842 30.300 -0.016 0.000 0.873 269 R HN 0.601 nan 8.270 nan 0.000 0.467 270 L N -1.112 120.074 121.223 -0.061 0.000 2.286 270 L HA 0.024 4.364 4.340 -0.000 0.000 0.203 270 L C 1.089 177.915 176.870 -0.072 0.000 1.068 270 L CA 0.859 55.661 54.840 -0.063 0.000 0.811 270 L CB -0.162 41.848 42.059 -0.082 0.000 0.989 270 L HN 0.122 nan 8.230 nan 0.000 0.467 271 D N 0.369 120.690 120.400 -0.132 0.000 2.203 271 D HA -0.250 4.390 4.640 -0.000 0.000 0.199 271 D C 1.764 178.030 176.300 -0.057 0.000 0.997 271 D CA 1.457 55.353 54.000 -0.173 0.000 0.863 271 D CB 0.188 40.880 40.800 -0.180 0.000 0.928 271 D HN 0.533 nan 8.370 nan 0.000 0.458 272 E N 0.149 120.349 120.200 -0.001 0.000 2.006 272 E HA -0.075 4.275 4.350 -0.000 0.000 0.192 272 E C 2.214 178.912 176.600 0.163 0.000 0.993 272 E CA 0.540 56.992 56.400 0.086 0.000 0.808 272 E CB -0.098 29.654 29.700 0.086 0.000 0.764 272 E HN 0.220 nan 8.360 nan 0.000 0.449 273 M N 0.115 119.773 119.600 0.096 0.000 2.514 273 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 273 M C 1.269 177.564 176.300 -0.009 0.000 1.073 273 M CA 0.619 55.943 55.300 0.039 0.000 1.049 273 M CB -0.247 32.355 32.600 0.004 0.000 1.392 273 M HN 0.181 nan 8.290 nan 0.000 0.466 274 C N 0.249 119.600 119.300 0.085 0.000 2.881 274 C HA 0.413 4.872 4.460 -0.000 0.000 0.290 274 C C 1.618 176.735 174.990 0.211 0.000 1.362 274 C CA -0.048 59.060 59.018 0.149 0.000 1.757 274 C CB -0.885 26.989 27.740 0.224 0.000 2.265 274 C HN 0.827 nan 8.230 nan 0.000 0.600 275 G N 0.872 109.877 108.800 0.342 0.000 2.153 275 G HA2 0.038 3.998 3.960 -0.000 0.000 0.252 275 G HA3 0.038 3.998 3.960 -0.000 0.000 0.252 275 G C 0.817 175.833 174.900 0.194 0.000 0.994 275 G CA 0.539 45.934 45.100 0.491 0.000 0.698 275 G HN 1.489 nan 8.290 nan 0.000 0.521 276 G N -2.567 106.286 108.800 0.089 0.000 2.234 276 G HA2 0.549 4.509 3.960 -0.000 0.000 0.153 276 G HA3 0.549 4.509 3.960 -0.000 0.000 0.153 276 G C 1.325 176.151 174.900 -0.124 0.000 1.013 276 G CA 0.707 45.794 45.100 -0.022 0.000 0.712 276 G HN 2.831 nan 8.290 nan 0.000 0.491 277 G N -1.087 107.624 108.800 -0.148 0.000 2.331 277 G HA2 0.371 4.331 3.960 -0.000 0.000 0.479 277 G HA3 0.371 4.331 3.960 -0.000 0.000 0.479 277 G C -0.259 174.549 174.900 -0.154 0.000 1.262 277 G CA -0.334 44.584 45.100 -0.303 0.000 1.029 277 G HN 0.834 nan 8.290 nan 0.000 0.487 278 F N -0.875 118.982 119.950 -0.154 0.000 2.452 278 F HA 0.797 5.324 4.527 -0.000 0.000 0.353 278 F C 0.299 175.928 175.800 -0.284 0.000 1.089 278 F CA -1.057 56.879 58.000 -0.107 0.000 1.080 278 F CB 1.168 40.221 39.000 0.089 0.000 1.399 278 F HN 0.255 nan 8.300 nan 0.000 0.492 279 F N 0.159 120.264 119.950 0.259 0.000 2.450 279 F HA 0.314 4.841 4.527 -0.000 0.000 0.332 279 F C 1.009 176.883 175.800 0.124 0.000 1.093 279 F CA -1.039 57.047 58.000 0.143 0.000 1.003 279 F CB 1.547 40.601 39.000 0.091 0.000 1.151 279 F HN 0.348 nan 8.300 nan 0.000 0.474 280 K N 0.583 121.132 120.400 0.247 0.000 2.585 280 K HA -0.100 4.220 4.320 -0.000 0.000 0.194 280 K C -0.237 176.452 176.600 0.149 0.000 1.037 280 K CA 1.204 57.591 56.287 0.166 0.000 0.964 280 K CB -0.051 32.514 32.500 0.110 0.000 0.787 280 K HN 0.603 nan 8.250 nan 0.000 0.488 281 D N 0.752 121.258 120.400 0.176 0.000 2.895 281 D HA 0.056 4.696 4.640 -0.000 0.000 0.350 281 D C -1.014 175.324 176.300 0.064 0.000 1.389 281 D CA 0.026 54.083 54.000 0.095 0.000 0.812 281 D CB 0.980 41.819 40.800 0.063 0.000 1.164 281 D HN 0.205 nan 8.370 nan 0.000 0.455 282 S N -0.816 114.933 115.700 0.081 0.000 2.651 282 S HA 0.672 5.142 4.470 -0.000 0.000 0.279 282 S C -0.783 173.764 174.600 -0.090 0.000 1.148 282 S CA -0.741 57.462 58.200 0.006 0.000 0.837 282 S CB 2.181 65.418 63.200 0.062 0.000 1.138 282 S HN -0.056 nan 8.310 nan 0.000 0.478 283 I N 1.189 121.647 120.570 -0.186 0.000 2.354 283 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 283 I C -0.910 174.954 176.117 -0.422 0.000 0.989 283 I CA -0.818 60.244 61.300 -0.397 0.000 1.188 283 I CB 1.243 39.017 38.000 -0.376 0.000 1.342 283 I HN 0.629 nan 8.210 nan 0.000 0.457 284 I N 7.115 127.342 120.570 -0.571 0.000 2.378 284 I HA 0.425 4.595 4.170 -0.000 0.000 0.291 284 I C -0.764 175.083 176.117 -0.450 0.000 0.992 284 I CA -0.792 60.174 61.300 -0.556 0.000 1.154 284 I CB 1.429 38.963 38.000 -0.777 0.000 1.315 284 I HN 0.283 nan 8.210 nan 0.000 0.448 285 L N 6.521 127.574 121.223 -0.283 0.000 2.313 285 L HA 0.841 5.181 4.340 -0.000 0.000 0.283 285 L C -0.289 176.517 176.870 -0.107 0.000 1.013 285 L CA -0.216 54.545 54.840 -0.131 0.000 0.816 285 L CB 1.331 43.368 42.059 -0.036 0.000 1.236 285 L HN 0.733 nan 8.230 nan 0.000 0.419 286 A N 3.686 126.467 122.820 -0.065 0.000 2.273 286 A HA 0.801 5.121 4.320 -0.000 0.000 0.315 286 A C -0.355 177.222 177.584 -0.013 0.000 1.256 286 A CA -0.339 51.667 52.037 -0.051 0.000 0.851 286 A CB 0.608 19.579 19.000 -0.047 0.000 1.172 286 A HN 0.708 nan 8.150 nan 0.000 0.508 287 T N 0.885 115.425 114.554 -0.023 0.000 2.907 287 T HA 0.872 5.222 4.350 -0.000 0.000 0.292 287 T C 0.077 174.769 174.700 -0.014 0.000 1.043 287 T CA 0.082 62.176 62.100 -0.011 0.000 1.003 287 T CB 2.022 70.877 68.868 -0.023 0.000 1.084 287 T HN 1.626 nan 8.240 nan 0.000 0.483 288 G N 0.129 108.936 108.800 0.011 0.000 2.368 288 G HA2 0.625 4.585 3.960 -0.000 0.000 0.293 288 G HA3 0.625 4.585 3.960 -0.000 0.000 0.293 288 G C -0.721 174.229 174.900 0.084 0.000 1.467 288 G CA -0.190 44.928 45.100 0.031 0.000 0.804 288 G HN 0.887 nan 8.290 nan 0.000 0.535 289 A N -0.369 122.548 122.820 0.162 0.000 2.275 289 A HA 0.697 5.017 4.320 -0.000 0.000 0.276 289 A C 1.172 178.896 177.584 0.233 0.000 1.232 289 A CA 0.997 53.180 52.037 0.242 0.000 0.814 289 A CB -0.243 19.014 19.000 0.429 0.000 1.145 289 A HN 1.828 nan 8.150 nan 0.000 0.508 290 T N -1.059 113.631 114.554 0.227 0.000 2.884 290 T HA 0.448 4.798 4.350 -0.000 0.000 0.298 290 T C 1.037 175.884 174.700 0.246 0.000 0.998 290 T CA 1.208 63.414 62.100 0.176 0.000 1.124 290 T CB -0.187 68.751 68.868 0.117 0.000 0.931 290 T HN 2.350 nan 8.240 nan 0.000 0.531 291 G N 3.516 112.432 108.800 0.193 0.000 2.246 291 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.273 291 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.273 291 G C 0.657 175.662 174.900 0.177 0.000 1.055 291 G CA 0.706 45.929 45.100 0.207 0.000 0.851 291 G HN 1.069 nan 8.290 nan 0.000 0.500 292 T N -3.441 111.154 114.554 0.068 0.000 3.044 292 T HA 0.465 4.815 4.350 -0.000 0.000 0.255 292 T C 2.049 176.767 174.700 0.030 0.000 1.073 292 T CA 1.679 63.705 62.100 -0.124 0.000 1.125 292 T CB 0.672 69.482 68.868 -0.096 0.000 0.908 292 T HN 1.830 nan 8.240 nan 0.000 0.480 293 G N 1.075 109.907 108.800 0.054 0.000 3.675 293 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.206 293 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.206 293 G C 0.855 175.737 174.900 -0.029 0.000 1.086 293 G CA 0.157 45.278 45.100 0.035 0.000 0.894 293 G HN 0.322 nan 8.290 nan 0.000 0.412 294 K N 0.577 120.979 120.400 0.004 0.000 2.113 294 K HA -0.295 4.025 4.320 -0.000 0.000 0.224 294 K C 2.347 178.958 176.600 0.020 0.000 0.975 294 K CA 3.047 59.341 56.287 0.012 0.000 0.973 294 K CB -1.234 31.292 32.500 0.043 0.000 0.867 294 K HN 0.372 nan 8.250 nan 0.000 0.470 295 T N 1.146 115.733 114.554 0.055 0.000 2.653 295 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 295 T C 1.676 176.388 174.700 0.019 0.000 1.035 295 T CA 1.628 63.791 62.100 0.106 0.000 1.154 295 T CB -0.342 68.646 68.868 0.200 0.000 0.862 295 T HN 0.206 nan 8.240 nan 0.000 0.441 296 L N 0.961 122.048 121.223 -0.227 0.000 1.970 296 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 296 L C 2.233 178.989 176.870 -0.189 0.000 1.071 296 L CA 1.623 56.139 54.840 -0.541 0.000 0.751 296 L CB -1.049 40.528 42.059 -0.803 0.000 0.889 296 L HN 0.264 nan 8.230 nan 0.000 0.432 297 L N -1.359 119.797 121.223 -0.113 0.000 1.965 297 L HA -0.366 3.974 4.340 -0.000 0.000 0.226 297 L C 2.490 179.423 176.870 0.106 0.000 1.083 297 L CA 2.165 57.000 54.840 -0.009 0.000 0.790 297 L CB -0.856 41.196 42.059 -0.011 0.000 0.898 297 L HN 0.192 nan 8.230 nan 0.000 0.439 298 V N -0.644 119.333 119.914 0.105 0.000 2.233 298 V HA -0.460 3.660 4.120 -0.000 0.000 0.256 298 V C 2.626 178.892 176.094 0.286 0.000 1.069 298 V CA 2.401 64.807 62.300 0.175 0.000 1.054 298 V CB -0.709 31.212 31.823 0.164 0.000 0.664 298 V HN 0.463 nan 8.190 nan 0.000 0.453 299 S N -1.338 114.528 115.700 0.277 0.000 2.372 299 S HA -0.280 4.190 4.470 -0.000 0.000 0.227 299 S C 2.011 176.803 174.600 0.320 0.000 1.044 299 S CA 2.093 60.536 58.200 0.404 0.000 1.050 299 S CB -0.375 63.056 63.200 0.384 0.000 0.901 299 S HN 0.474 nan 8.310 nan 0.000 0.447 300 R N -0.460 120.153 120.500 0.188 0.000 2.323 300 R HA 0.185 4.525 4.340 -0.000 0.000 0.198 300 R C 1.414 177.813 176.300 0.165 0.000 0.988 300 R CA 0.471 56.648 56.100 0.128 0.000 1.041 300 R CB -0.313 30.008 30.300 0.036 0.000 0.926 300 R HN 0.526 nan 8.270 nan 0.000 0.476 301 F N -1.875 118.130 119.950 0.091 0.000 2.419 301 F HA 0.087 4.614 4.527 -0.000 0.000 0.283 301 F C 1.607 177.468 175.800 0.102 0.000 1.044 301 F CA 0.374 58.431 58.000 0.094 0.000 1.376 301 F CB -0.078 39.001 39.000 0.131 0.000 1.131 301 F HN -0.211 nan 8.300 nan 0.000 0.585 302 V N 0.994 121.126 119.914 0.364 0.000 2.295 302 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 302 V C 2.370 178.525 176.094 0.101 0.000 1.049 302 V CA 2.417 64.849 62.300 0.220 0.000 1.024 302 V CB -0.587 31.341 31.823 0.175 0.000 0.648 302 V HN 0.461 nan 8.190 nan 0.000 0.447 303 E N 0.316 120.621 120.200 0.175 0.000 2.077 303 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 303 E C 2.142 178.766 176.600 0.040 0.000 0.989 303 E CA 1.360 57.854 56.400 0.156 0.000 0.800 303 E CB -0.295 29.538 29.700 0.221 0.000 0.746 303 E HN 0.617 nan 8.360 nan 0.000 0.452 304 N N 0.268 118.952 118.700 -0.026 0.000 2.430 304 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 304 N C 1.389 176.826 175.510 -0.122 0.000 1.032 304 N CA 1.145 54.137 53.050 -0.097 0.000 0.893 304 N CB 0.036 38.419 38.487 -0.173 0.000 0.957 304 N HN 0.257 nan 8.380 nan 0.000 0.442 305 A N -0.297 122.451 122.820 -0.120 0.000 1.943 305 A HA 0.022 4.342 4.320 -0.000 0.000 0.213 305 A C 2.584 180.154 177.584 -0.023 0.000 1.181 305 A CA 0.535 52.516 52.037 -0.093 0.000 0.653 305 A CB -0.570 18.379 19.000 -0.084 0.000 0.833 305 A HN 0.505 nan 8.150 nan 0.000 0.451 306 C N -0.559 118.744 119.300 0.005 0.000 2.448 306 C HA 0.213 4.673 4.460 -0.000 0.000 0.280 306 C C 3.097 178.095 174.990 0.014 0.000 1.398 306 C CA 0.334 59.369 59.018 0.028 0.000 1.774 306 C CB -1.278 26.492 27.740 0.050 0.000 1.888 306 C HN 0.678 nan 8.230 nan 0.000 0.519 307 A N 1.795 124.614 122.820 -0.001 0.000 1.828 307 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 307 A C 1.641 179.215 177.584 -0.017 0.000 1.203 307 A CA 1.438 53.469 52.037 -0.010 0.000 0.614 307 A CB -0.730 18.256 19.000 -0.024 0.000 0.844 307 A HN 0.646 nan 8.150 nan 0.000 0.445 308 N N 0.873 119.554 118.700 -0.031 0.000 2.585 308 N HA -0.003 4.736 4.740 -0.000 0.000 0.213 308 N C -0.672 174.824 175.510 -0.022 0.000 1.385 308 N CA 0.350 53.382 53.050 -0.031 0.000 0.871 308 N CB -0.310 38.150 38.487 -0.044 0.000 1.154 308 N HN 0.398 nan 8.380 nan 0.000 0.474 309 K N 0.951 121.343 120.400 -0.013 0.000 3.540 309 K HA -0.205 4.115 4.320 -0.000 0.000 0.274 309 K C -0.872 175.720 176.600 -0.013 0.000 0.890 309 K CA 0.807 57.088 56.287 -0.009 0.000 0.701 309 K CB -1.080 31.412 32.500 -0.013 0.000 1.523 309 K HN 0.473 nan 8.250 nan 0.000 0.450 310 E N 1.356 121.553 120.200 -0.004 0.000 2.460 310 E HA 0.142 4.492 4.350 -0.000 0.000 0.249 310 E C -0.647 175.976 176.600 0.038 0.000 0.962 310 E CA -0.744 55.656 56.400 0.000 0.000 0.787 310 E CB 1.101 30.798 29.700 -0.006 0.000 1.341 310 E HN 0.192 nan 8.360 nan 0.000 0.407 311 R N 1.301 121.828 120.500 0.045 0.000 2.595 311 R HA 0.182 4.522 4.340 -0.000 0.000 0.269 311 R C -0.075 176.376 176.300 0.251 0.000 0.977 311 R CA 0.739 56.950 56.100 0.186 0.000 1.093 311 R CB 0.145 30.424 30.300 -0.036 0.000 0.904 311 R HN 0.499 nan 8.270 nan 0.000 0.425 312 A N 2.040 125.062 122.820 0.336 0.000 2.601 312 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 312 A C -1.145 176.488 177.584 0.081 0.000 1.075 312 A CA -0.818 51.349 52.037 0.217 0.000 0.671 312 A CB 1.295 20.387 19.000 0.154 0.000 1.277 312 A HN 0.536 nan 8.150 nan 0.000 0.417 313 I N 0.531 121.143 120.570 0.069 0.000 2.603 313 I HA 0.549 4.719 4.170 -0.000 0.000 0.300 313 I C -1.078 175.002 176.117 -0.062 0.000 1.017 313 I CA -0.926 60.301 61.300 -0.122 0.000 1.098 313 I CB 1.935 39.859 38.000 -0.126 0.000 1.279 313 I HN 0.570 nan 8.210 nan 0.000 0.437 314 L N 5.719 126.783 121.223 -0.265 0.000 2.343 314 L HA 0.516 4.856 4.340 -0.000 0.000 0.278 314 L C -1.644 175.044 176.870 -0.303 0.000 0.996 314 L CA 0.110 54.866 54.840 -0.140 0.000 0.831 314 L CB 0.875 42.841 42.059 -0.155 0.000 1.232 314 L HN 0.278 nan 8.230 nan 0.000 0.413 315 F N 5.224 125.193 119.950 0.031 0.000 2.291 315 F HA 0.673 5.200 4.527 -0.000 0.000 0.368 315 F C 0.644 176.403 175.800 -0.068 0.000 1.085 315 F CA -0.351 57.627 58.000 -0.037 0.000 1.165 315 F CB 1.191 40.312 39.000 0.200 0.000 1.429 315 F HN 0.660 nan 8.300 nan 0.000 0.503 316 A N 2.783 125.523 122.820 -0.133 0.000 2.276 316 A HA 0.535 4.854 4.320 -0.000 0.000 0.316 316 A C -0.692 176.705 177.584 -0.312 0.000 1.229 316 A CA -0.327 51.674 52.037 -0.061 0.000 0.851 316 A CB 0.270 19.257 19.000 -0.023 0.000 1.165 316 A HN 0.735 nan 8.150 nan 0.000 0.513 317 Y N 0.664 120.967 120.300 0.006 0.000 2.442 317 Y HA 0.125 4.675 4.550 -0.000 0.000 0.250 317 Y C 1.689 177.506 175.900 -0.138 0.000 1.113 317 Y CA 0.383 58.450 58.100 -0.056 0.000 1.273 317 Y CB 0.393 38.822 38.460 -0.053 0.000 1.138 317 Y HN 0.783 nan 8.280 nan 0.000 0.522 318 E N 0.432 120.643 120.200 0.018 0.000 2.121 318 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 318 E C 0.210 176.746 176.600 -0.107 0.000 0.940 318 E CA 0.096 56.468 56.400 -0.047 0.000 0.884 318 E CB 0.064 29.783 29.700 0.032 0.000 0.874 318 E HN 0.366 nan 8.360 nan 0.000 0.471 319 E N 1.462 121.638 120.200 -0.039 0.000 2.397 319 E HA 0.164 4.514 4.350 -0.000 0.000 0.254 319 E C 0.054 176.606 176.600 -0.080 0.000 1.231 319 E CA -0.136 56.244 56.400 -0.033 0.000 0.954 319 E CB 0.876 30.596 29.700 0.033 0.000 1.024 319 E HN 0.096 nan 8.360 nan 0.000 0.481 320 S N -0.498 115.169 115.700 -0.054 0.000 2.786 320 S HA 0.362 4.832 4.470 -0.000 0.000 0.302 320 S C 1.016 175.599 174.600 -0.028 0.000 1.080 320 S CA -0.880 57.283 58.200 -0.062 0.000 0.925 320 S CB 1.230 64.401 63.200 -0.049 0.000 1.325 320 S HN 0.389 nan 8.310 nan 0.000 0.576 321 R N 0.580 121.064 120.500 -0.027 0.000 2.109 321 R HA -0.035 4.305 4.340 -0.000 0.000 0.227 321 R C 2.547 178.858 176.300 0.018 0.000 1.132 321 R CA 1.729 57.822 56.100 -0.011 0.000 0.907 321 R CB -1.586 28.706 30.300 -0.013 0.000 0.825 321 R HN 0.807 nan 8.270 nan 0.000 0.432 322 A N 0.962 123.789 122.820 0.011 0.000 2.015 322 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 322 A C 2.102 179.689 177.584 0.006 0.000 1.163 322 A CA 1.171 53.216 52.037 0.014 0.000 0.646 322 A CB -0.364 18.637 19.000 0.002 0.000 0.806 322 A HN 0.456 nan 8.150 nan 0.000 0.448 323 Q N -0.745 119.055 119.800 0.001 0.000 2.311 323 Q HA 0.075 4.415 4.340 -0.000 0.000 0.203 323 Q C 1.706 177.707 176.000 0.001 0.000 0.954 323 Q CA 0.633 56.430 55.803 -0.011 0.000 0.885 323 Q CB -0.087 28.645 28.738 -0.010 0.000 0.963 323 Q HN 0.665 nan 8.270 nan 0.000 0.471 324 L N 0.057 121.310 121.223 0.050 0.000 2.341 324 L HA -0.033 4.307 4.340 -0.000 0.000 0.214 324 L C 1.879 178.834 176.870 0.141 0.000 1.115 324 L CA 0.198 55.111 54.840 0.122 0.000 0.820 324 L CB 0.069 42.240 42.059 0.187 0.000 0.944 324 L HN 0.324 nan 8.230 nan 0.000 0.452 325 L N -0.878 120.419 121.223 0.122 0.000 2.022 325 L HA -0.172 4.168 4.340 -0.000 0.000 0.204 325 L C 2.707 179.584 176.870 0.012 0.000 1.076 325 L CA 1.001 55.918 54.840 0.128 0.000 0.749 325 L CB -0.593 41.551 42.059 0.142 0.000 0.903 325 L HN 0.192 nan 8.230 nan 0.000 0.439 326 R N 0.606 121.085 120.500 -0.035 0.000 2.115 326 R HA -0.240 4.100 4.340 -0.000 0.000 0.239 326 R C 2.102 178.260 176.300 -0.236 0.000 1.133 326 R CA 2.515 58.540 56.100 -0.125 0.000 0.935 326 R CB -0.305 29.920 30.300 -0.126 0.000 0.853 326 R HN 0.355 nan 8.270 nan 0.000 0.433 327 N N -0.047 118.472 118.700 -0.302 0.000 2.223 327 N HA -0.133 4.607 4.740 -0.000 0.000 0.185 327 N C 1.412 176.248 175.510 -1.123 0.000 1.016 327 N CA 1.588 54.265 53.050 -0.623 0.000 0.863 327 N CB -0.272 37.952 38.487 -0.439 0.000 0.983 327 N HN 0.380 nan 8.380 nan 0.000 0.429 328 A N -0.466 122.005 122.820 -0.581 0.000 1.903 328 A HA -0.050 4.270 4.320 -0.000 0.000 0.213 328 A C 2.041 179.467 177.584 -0.263 0.000 1.185 328 A CA 0.537 52.362 52.037 -0.353 0.000 0.628 328 A CB -0.967 17.726 19.000 -0.512 0.000 0.830 328 A HN 0.425 nan 8.150 nan 0.000 0.446 329 Y N 0.943 121.024 120.300 -0.366 0.000 2.256 329 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 329 Y C 2.666 178.436 175.900 -0.217 0.000 1.155 329 Y CA 1.325 59.283 58.100 -0.237 0.000 1.203 329 Y CB 0.047 38.404 38.460 -0.171 0.000 0.980 329 Y HN 0.343 nan 8.280 nan 0.000 0.530 330 S N -0.512 115.122 115.700 -0.111 0.000 2.382 330 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 330 S C 1.135 175.692 174.600 -0.072 0.000 1.027 330 S CA 1.152 59.248 58.200 -0.172 0.000 0.991 330 S CB -0.376 62.585 63.200 -0.399 0.000 0.823 330 S HN 0.600 nan 8.310 nan 0.000 0.469 331 W N 1.678 122.986 121.300 0.013 0.000 3.180 331 W HA 0.396 5.056 4.660 -0.000 0.000 0.254 331 W C 1.443 177.944 176.519 -0.031 0.000 1.318 331 W CA 0.594 57.933 57.345 -0.010 0.000 1.608 331 W CB -1.430 28.014 29.460 -0.026 0.000 1.124 331 W HN 0.450 nan 8.180 nan 0.000 0.694 332 G N 0.709 109.581 108.800 0.120 0.000 2.408 332 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.204 332 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.204 332 G C 0.169 175.000 174.900 -0.116 0.000 1.186 332 G CA -0.245 44.860 45.100 0.007 0.000 1.139 332 G HN 0.384 nan 8.290 nan 0.000 0.563 333 M N -0.859 118.672 119.600 -0.115 0.000 4.012 333 M HA -0.120 4.360 4.480 -0.000 0.000 0.157 333 M C -0.737 175.381 176.300 -0.303 0.000 1.528 333 M CA 1.406 56.615 55.300 -0.152 0.000 1.086 333 M CB -1.101 31.430 32.600 -0.115 0.000 1.344 333 M HN 0.804 nan 8.290 nan 0.000 0.231 334 D N 4.505 124.735 120.400 -0.283 0.000 2.435 334 D HA 0.239 4.879 4.640 -0.000 0.000 0.230 334 D C 0.496 176.791 176.300 -0.007 0.000 1.215 334 D CA -0.191 53.600 54.000 -0.349 0.000 0.947 334 D CB -0.034 40.538 40.800 -0.381 0.000 1.048 334 D HN 0.713 nan 8.370 nan 0.000 0.512 335 F N 1.425 121.340 119.950 -0.058 0.000 2.236 335 F HA -0.208 4.319 4.527 -0.000 0.000 0.302 335 F C 2.323 178.122 175.800 -0.002 0.000 1.073 335 F CA 0.177 58.175 58.000 -0.005 0.000 1.336 335 F CB 0.331 39.346 39.000 0.025 0.000 1.040 335 F HN 0.398 nan 8.300 nan 0.000 0.507 336 E N 0.695 121.007 120.200 0.187 0.000 2.026 336 E HA -0.304 4.046 4.350 -0.000 0.000 0.206 336 E C 1.907 178.557 176.600 0.083 0.000 1.028 336 E CA 1.773 58.243 56.400 0.117 0.000 0.845 336 E CB -0.464 29.294 29.700 0.097 0.000 0.772 336 E HN 0.286 nan 8.360 nan 0.000 0.462 337 E N -0.172 120.066 120.200 0.062 0.000 2.267 337 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 337 E C 1.879 178.514 176.600 0.058 0.000 0.998 337 E CA 0.761 57.190 56.400 0.048 0.000 0.830 337 E CB -0.056 29.661 29.700 0.029 0.000 0.751 337 E HN 0.153 nan 8.360 nan 0.000 0.491 338 M N 0.048 119.697 119.600 0.080 0.000 2.086 338 M HA -0.109 4.371 4.480 -0.000 0.000 0.261 338 M C 1.903 178.231 176.300 0.047 0.000 1.067 338 M CA 1.575 56.915 55.300 0.066 0.000 1.116 338 M CB -0.947 31.697 32.600 0.072 0.000 1.348 338 M HN 0.179 nan 8.290 nan 0.000 0.407 339 E N -0.329 119.890 120.200 0.032 0.000 2.106 339 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 339 E C 2.171 178.806 176.600 0.059 0.000 0.984 339 E CA 0.709 57.126 56.400 0.030 0.000 0.806 339 E CB -0.077 29.625 29.700 0.003 0.000 0.750 339 E HN 0.515 nan 8.360 nan 0.000 0.458 340 R N 1.220 121.750 120.500 0.051 0.000 2.088 340 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 340 R C 1.582 177.911 176.300 0.048 0.000 1.136 340 R CA 1.202 57.330 56.100 0.046 0.000 0.926 340 R CB -0.406 29.917 30.300 0.039 0.000 0.837 340 R HN 0.196 nan 8.270 nan 0.000 0.429 341 Q N 1.997 121.824 119.800 0.046 0.000 2.271 341 Q HA 0.014 4.354 4.340 -0.000 0.000 0.206 341 Q C -0.636 175.395 176.000 0.053 0.000 0.860 341 Q CA -0.244 55.581 55.803 0.037 0.000 0.991 341 Q CB -0.635 28.121 28.738 0.031 0.000 1.232 341 Q HN 0.233 nan 8.270 nan 0.000 0.410 342 N N 0.909 119.658 118.700 0.081 0.000 2.942 342 N HA -0.209 4.531 4.740 -0.000 0.000 0.284 342 N C -0.482 175.107 175.510 0.130 0.000 1.019 342 N CA 0.688 53.828 53.050 0.150 0.000 0.879 342 N CB -0.308 38.224 38.487 0.075 0.000 0.917 342 N HN 0.461 nan 8.380 nan 0.000 0.606 343 L N -0.527 120.813 121.223 0.195 0.000 3.122 343 L HA 0.342 4.682 4.340 -0.000 0.000 0.274 343 L C -0.222 176.821 176.870 0.288 0.000 1.222 343 L CA -0.118 54.822 54.840 0.166 0.000 1.028 343 L CB 0.430 42.531 42.059 0.070 0.000 1.386 343 L HN 0.244 nan 8.230 nan 0.000 0.578 344 L N 0.924 122.381 121.223 0.390 0.000 2.982 344 L HA 0.311 4.651 4.340 -0.000 0.000 0.262 344 L C -1.911 174.811 176.870 -0.247 0.000 0.932 344 L CA -0.076 54.788 54.840 0.040 0.000 1.058 344 L CB 1.823 43.840 42.059 -0.070 0.000 1.665 344 L HN 0.100 nan 8.230 nan 0.000 0.499 345 K N 4.897 124.862 120.400 -0.726 0.000 2.318 345 K HA 0.744 5.064 4.320 -0.000 0.000 0.249 345 K C -1.219 175.051 176.600 -0.550 0.000 0.942 345 K CA -0.739 55.134 56.287 -0.690 0.000 0.808 345 K CB 2.140 33.996 32.500 -1.074 0.000 1.189 345 K HN 0.625 nan 8.250 nan 0.000 0.428 346 I N 4.122 124.448 120.570 -0.407 0.000 2.389 346 I HA 0.146 4.316 4.170 -0.000 0.000 0.288 346 I C 0.997 176.905 176.117 -0.348 0.000 0.999 346 I CA -0.754 60.318 61.300 -0.380 0.000 1.129 346 I CB 1.771 39.600 38.000 -0.286 0.000 1.288 346 I HN 0.428 nan 8.210 nan 0.000 0.444 347 V N 3.778 123.415 119.914 -0.462 0.000 2.267 347 V HA -0.079 4.041 4.120 -0.000 0.000 0.228 347 V C 0.572 176.522 176.094 -0.241 0.000 1.040 347 V CA 0.425 62.509 62.300 -0.360 0.000 1.010 347 V CB -0.279 31.258 31.823 -0.477 0.000 0.649 347 V HN 0.992 nan 8.190 nan 0.000 0.464 348 C N -0.190 118.937 119.300 -0.287 0.000 0.169 348 C HA 0.335 4.795 4.460 -0.000 0.000 0.017 348 C C -0.032 174.861 174.990 -0.162 0.000 0.171 348 C CA -0.658 58.204 59.018 -0.261 0.000 0.502 348 C CB -2.199 25.433 27.740 -0.180 0.000 3.212 348 C HN 1.770 nan 8.230 nan 0.000 1.118 349 A N 3.375 126.093 122.820 -0.170 0.000 2.588 349 A HA 0.537 4.857 4.320 -0.000 0.000 0.305 349 A C -0.996 176.657 177.584 0.114 0.000 0.991 349 A CA -0.701 51.350 52.037 0.023 0.000 0.784 349 A CB 0.009 19.082 19.000 0.122 0.000 1.189 349 A HN 1.464 nan 8.150 nan 0.000 0.390 350 Y N 1.677 122.046 120.300 0.115 0.000 2.683 350 Y HA 0.193 4.743 4.550 -0.000 0.000 0.340 350 Y C -1.282 174.756 175.900 0.230 0.000 1.245 350 Y CA 0.119 58.305 58.100 0.144 0.000 1.485 350 Y CB 0.389 38.903 38.460 0.090 0.000 1.328 350 Y HN 0.537 nan 8.280 nan 0.000 0.603 351 P HA -0.118 nan 4.420 nan 0.000 0.221 351 P C 0.596 178.084 177.300 0.313 0.000 1.150 351 P CA 1.323 64.557 63.100 0.222 0.000 0.800 351 P CB 0.297 31.985 31.700 -0.020 0.000 0.787 352 E N -0.718 119.615 120.200 0.221 0.000 2.515 352 E HA -0.083 4.267 4.350 -0.000 0.000 0.201 352 E C 1.557 178.219 176.600 0.104 0.000 1.071 352 E CA 0.773 57.244 56.400 0.118 0.000 0.880 352 E CB -0.937 28.785 29.700 0.036 0.000 0.828 352 E HN 0.333 nan 8.360 nan 0.000 0.540 353 S N -1.092 114.714 115.700 0.176 0.000 2.593 353 S HA 0.468 4.938 4.470 -0.000 0.000 0.217 353 S C 0.727 175.323 174.600 -0.007 0.000 0.966 353 S CA 0.028 58.286 58.200 0.098 0.000 0.914 353 S CB 0.379 63.672 63.200 0.156 0.000 0.776 353 S HN 0.160 nan 8.310 nan 0.000 0.523 354 A N -0.208 122.582 122.820 -0.050 0.000 2.581 354 A HA 0.654 4.974 4.320 -0.000 0.000 0.294 354 A C -0.028 177.465 177.584 -0.152 0.000 1.035 354 A CA -0.439 51.470 52.037 -0.212 0.000 0.684 354 A CB -0.048 18.677 19.000 -0.458 0.000 1.282 354 A HN 0.613 nan 8.150 nan 0.000 0.417 355 G N -0.426 108.318 108.800 -0.094 0.000 2.606 355 G HA2 0.485 4.445 3.960 -0.000 0.000 0.252 355 G HA3 0.485 4.445 3.960 -0.000 0.000 0.252 355 G C 0.503 175.413 174.900 0.017 0.000 1.206 355 G CA -0.492 44.597 45.100 -0.018 0.000 0.861 355 G HN 0.825 nan 8.290 nan 0.000 0.561 356 L N 0.328 121.572 121.223 0.036 0.000 2.551 356 L HA -0.075 4.265 4.340 -0.000 0.000 0.230 356 L C 2.748 179.683 176.870 0.108 0.000 1.163 356 L CA 1.802 56.658 54.840 0.027 0.000 0.826 356 L CB -0.715 41.294 42.059 -0.084 0.000 0.943 356 L HN 0.899 nan 8.230 nan 0.000 0.452 357 E N -1.253 118.959 120.200 0.020 0.000 2.051 357 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 357 E C 1.109 177.667 176.600 -0.070 0.000 0.979 357 E CA 1.110 57.488 56.400 -0.036 0.000 0.803 357 E CB -0.333 29.370 29.700 0.005 0.000 0.761 357 E HN 0.426 nan 8.360 nan 0.000 0.451 358 D N 0.408 120.774 120.400 -0.057 0.000 2.224 358 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 358 D C 1.895 178.154 176.300 -0.067 0.000 0.965 358 D CA 0.828 54.786 54.000 -0.070 0.000 0.852 358 D CB -0.165 40.561 40.800 -0.124 0.000 0.947 358 D HN 0.311 nan 8.370 nan 0.000 0.494 359 H N 1.142 120.236 119.070 0.040 0.000 2.256 359 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 359 H C 2.314 177.698 175.328 0.092 0.000 1.062 359 H CA 0.301 56.410 56.048 0.100 0.000 1.283 359 H CB -0.746 29.054 29.762 0.064 0.000 1.379 359 H HN 0.039 nan 8.280 nan 0.000 0.493 360 L N 1.451 122.852 121.223 0.296 0.000 2.113 360 L HA -0.323 4.017 4.340 -0.000 0.000 0.221 360 L C 2.242 178.982 176.870 -0.217 0.000 1.084 360 L CA 2.009 56.812 54.840 -0.061 0.000 0.787 360 L CB -0.821 41.072 42.059 -0.275 0.000 0.893 360 L HN 0.427 nan 8.230 nan 0.000 0.440 361 Q N -0.628 119.036 119.800 -0.227 0.000 1.967 361 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 361 Q C 2.243 178.286 176.000 0.071 0.000 0.985 361 Q CA 2.034 57.788 55.803 -0.081 0.000 0.839 361 Q CB -0.040 28.716 28.738 0.030 0.000 0.906 361 Q HN 0.539 nan 8.270 nan 0.000 0.423 362 I N 1.321 121.958 120.570 0.112 0.000 2.300 362 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 362 I C 2.331 178.585 176.117 0.228 0.000 1.119 362 I CA 1.306 62.715 61.300 0.182 0.000 1.384 362 I CB -1.375 36.755 38.000 0.217 0.000 1.062 362 I HN 0.363 nan 8.210 nan 0.000 0.426 363 I N 0.994 121.645 120.570 0.133 0.000 2.058 363 I HA -0.336 3.834 4.170 -0.000 0.000 0.235 363 I C 2.611 178.839 176.117 0.184 0.000 1.053 363 I CA 1.662 62.991 61.300 0.049 0.000 1.313 363 I CB -0.422 37.468 38.000 -0.183 0.000 1.039 363 I HN 0.187 nan 8.210 nan 0.000 0.396 364 K N 0.242 120.698 120.400 0.094 0.000 2.032 364 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 364 K C 2.328 179.062 176.600 0.223 0.000 1.048 364 K CA 1.796 58.166 56.287 0.137 0.000 0.927 364 K CB -0.402 31.959 32.500 -0.232 0.000 0.712 364 K HN 0.183 nan 8.250 nan 0.000 0.441 365 S N 1.034 116.845 115.700 0.185 0.000 2.370 365 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 365 S C 1.995 176.722 174.600 0.212 0.000 1.033 365 S CA 1.678 59.994 58.200 0.194 0.000 1.011 365 S CB -0.113 63.196 63.200 0.182 0.000 0.852 365 S HN 0.249 nan 8.310 nan 0.000 0.457 366 E N 0.573 120.920 120.200 0.245 0.000 2.152 366 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 366 E C 1.798 178.560 176.600 0.270 0.000 0.983 366 E CA 0.746 57.291 56.400 0.242 0.000 0.818 366 E CB -0.211 29.650 29.700 0.268 0.000 0.758 366 E HN 0.628 nan 8.360 nan 0.000 0.467 367 I N 0.829 121.589 120.570 0.318 0.000 2.567 367 I HA -0.189 3.981 4.170 -0.000 0.000 0.257 367 I C 1.507 177.785 176.117 0.269 0.000 1.184 367 I CA 0.617 62.109 61.300 0.319 0.000 1.451 367 I CB -0.167 38.055 38.000 0.370 0.000 1.089 367 I HN 0.070 nan 8.210 nan 0.000 0.441 368 N N 0.751 119.602 118.700 0.251 0.000 2.362 368 N HA -0.038 4.702 4.740 -0.000 0.000 0.204 368 N C 0.066 175.676 175.510 0.167 0.000 1.166 368 N CA 0.600 53.770 53.050 0.199 0.000 0.831 368 N CB 0.195 38.797 38.487 0.191 0.000 1.008 368 N HN 0.411 nan 8.380 nan 0.000 0.472 369 D N -1.741 118.776 120.400 0.195 0.000 2.497 369 D HA 0.034 4.674 4.640 -0.000 0.000 0.256 369 D C 0.181 176.619 176.300 0.229 0.000 1.273 369 D CA -0.160 53.947 54.000 0.178 0.000 0.812 369 D CB 0.049 40.954 40.800 0.175 0.000 1.190 369 D HN 0.104 nan 8.370 nan 0.000 0.524 370 F N 1.774 121.766 119.950 0.070 0.000 2.856 370 F HA 0.091 4.618 4.527 -0.000 0.000 0.338 370 F C -0.485 175.348 175.800 0.054 0.000 1.100 370 F CA -0.276 57.755 58.000 0.051 0.000 1.150 370 F CB 0.521 39.547 39.000 0.043 0.000 1.101 370 F HN -0.303 nan 8.300 nan 0.000 0.548 371 K N 0.487 120.983 120.400 0.161 0.000 4.430 371 K HA -0.221 4.099 4.320 -0.000 0.000 0.283 371 K C -2.721 173.952 176.600 0.122 0.000 0.845 371 K CA 0.401 56.749 56.287 0.102 0.000 0.819 371 K CB -2.567 29.946 32.500 0.021 0.000 1.735 371 K HN 0.170 nan 8.250 nan 0.000 0.429 372 P HA 0.083 nan 4.420 nan 0.000 0.287 372 P C 0.524 177.902 177.300 0.131 0.000 1.282 372 P CA 0.611 63.838 63.100 0.212 0.000 0.804 372 P CB 0.334 32.175 31.700 0.235 0.000 1.323 373 A N -2.836 120.065 122.820 0.135 0.000 2.461 373 A HA 0.179 4.499 4.320 -0.000 0.000 0.149 373 A C 0.470 178.131 177.584 0.128 0.000 1.814 373 A CA 0.169 52.264 52.037 0.096 0.000 1.337 373 A CB 0.261 19.298 19.000 0.061 0.000 1.556 373 A HN 0.353 nan 8.150 nan 0.000 0.392 374 R N -1.369 119.239 120.500 0.181 0.000 2.831 374 R HA 0.853 5.193 4.340 -0.000 0.000 0.266 374 R C -1.834 174.668 176.300 0.337 0.000 1.051 374 R CA -0.590 55.684 56.100 0.291 0.000 0.943 374 R CB 2.065 32.511 30.300 0.242 0.000 1.228 374 R HN 0.279 nan 8.270 nan 0.000 0.467 375 I N 0.299 121.131 120.570 0.436 0.000 2.739 375 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 375 I C -1.876 174.443 176.117 0.336 0.000 1.558 375 I CA -0.275 61.254 61.300 0.381 0.000 1.050 375 I CB 1.981 40.199 38.000 0.362 0.000 1.432 375 I HN 0.790 nan 8.210 nan 0.000 0.432 376 A N 7.474 130.504 122.820 0.349 0.000 2.335 376 A HA 0.804 5.124 4.320 -0.000 0.000 0.304 376 A C -1.355 176.452 177.584 0.372 0.000 1.118 376 A CA -0.337 51.856 52.037 0.261 0.000 0.757 376 A CB 0.997 20.114 19.000 0.196 0.000 1.188 376 A HN 0.453 nan 8.150 nan 0.000 0.460 377 I N 2.332 123.129 120.570 0.378 0.000 2.306 377 I HA 0.197 4.367 4.170 -0.000 0.000 0.288 377 I C -0.202 176.081 176.117 0.278 0.000 1.036 377 I CA -0.090 61.417 61.300 0.345 0.000 1.221 377 I CB 1.336 39.388 38.000 0.086 0.000 1.385 377 I HN 0.619 nan 8.210 nan 0.000 0.472 378 D N 5.466 126.048 120.400 0.304 0.000 2.344 378 D HA 0.316 4.956 4.640 -0.000 0.000 0.253 378 D C -0.006 176.426 176.300 0.219 0.000 1.255 378 D CA 0.749 54.886 54.000 0.229 0.000 0.894 378 D CB 0.375 41.300 40.800 0.209 0.000 1.067 378 D HN 0.486 nan 8.370 nan 0.000 0.492 379 S N 2.786 118.570 115.700 0.141 0.000 2.881 379 S HA -0.162 4.308 4.470 -0.000 0.000 0.852 379 S C 0.335 174.948 174.600 0.021 0.000 0.877 379 S CA -0.032 58.218 58.200 0.083 0.000 1.464 379 S CB -1.005 62.245 63.200 0.083 0.000 1.049 379 S HN 0.585 nan 8.310 nan 0.000 0.322 380 L N 4.619 125.857 121.223 0.024 0.000 2.286 380 L HA 0.073 4.413 4.340 -0.000 0.000 0.203 380 L C 2.429 179.297 176.870 -0.003 0.000 1.068 380 L CA 1.022 55.885 54.840 0.038 0.000 0.811 380 L CB -0.372 41.773 42.059 0.143 0.000 0.989 380 L HN 0.951 nan 8.230 nan 0.000 0.467 381 S N -0.056 115.613 115.700 -0.052 0.000 2.537 381 S HA -0.083 4.387 4.470 -0.000 0.000 0.240 381 S C 1.749 176.237 174.600 -0.186 0.000 0.981 381 S CA 0.778 58.873 58.200 -0.174 0.000 0.948 381 S CB -0.178 62.955 63.200 -0.112 0.000 0.759 381 S HN 0.343 nan 8.310 nan 0.000 0.531 382 A N 0.961 123.698 122.820 -0.139 0.000 2.072 382 A HA 0.417 4.737 4.320 -0.000 0.000 0.216 382 A C 2.095 179.555 177.584 -0.207 0.000 1.156 382 A CA 0.367 52.334 52.037 -0.118 0.000 0.701 382 A CB -0.357 18.623 19.000 -0.032 0.000 0.816 382 A HN 0.534 nan 8.150 nan 0.000 0.458 383 L N -1.160 119.871 121.223 -0.321 0.000 2.130 383 L HA 0.008 4.348 4.340 -0.000 0.000 0.200 383 L C 3.004 179.664 176.870 -0.349 0.000 1.075 383 L CA 0.814 55.402 54.840 -0.420 0.000 0.768 383 L CB -0.534 41.187 42.059 -0.563 0.000 0.933 383 L HN 0.363 nan 8.230 nan 0.000 0.451 384 A N -0.001 122.521 122.820 -0.497 0.000 2.067 384 A HA -0.238 4.082 4.320 -0.000 0.000 0.224 384 A C 1.301 178.635 177.584 -0.416 0.000 1.172 384 A CA 0.971 52.521 52.037 -0.812 0.000 0.662 384 A CB -0.786 17.411 19.000 -1.338 0.000 0.814 384 A HN 0.322 nan 8.150 nan 0.000 0.468 385 R N -1.219 119.107 120.500 -0.290 0.000 2.500 385 R HA 0.096 4.436 4.340 -0.000 0.000 0.281 385 R C 1.547 177.766 176.300 -0.134 0.000 0.953 385 R CA 0.875 56.870 56.100 -0.175 0.000 1.108 385 R CB -0.320 29.916 30.300 -0.108 0.000 0.901 385 R HN 0.875 nan 8.270 nan 0.000 0.410 386 G N 1.913 110.648 108.800 -0.108 0.000 2.284 386 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.268 386 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.268 386 G C 0.342 175.198 174.900 -0.073 0.000 0.980 386 G CA 0.611 45.665 45.100 -0.077 0.000 0.631 386 G HN 0.477 nan 8.290 nan 0.000 0.548 387 V N 1.748 121.604 119.914 -0.096 0.000 2.785 387 V HA 0.573 4.693 4.120 -0.000 0.000 0.300 387 V C 1.282 177.346 176.094 -0.050 0.000 1.062 387 V CA -0.027 62.236 62.300 -0.062 0.000 1.029 387 V CB 1.613 33.404 31.823 -0.053 0.000 1.024 387 V HN 0.930 nan 8.190 nan 0.000 0.477 388 S N 2.869 118.564 115.700 -0.009 0.000 2.579 388 S HA 0.053 4.523 4.470 -0.000 0.000 0.275 388 S C 1.043 175.669 174.600 0.042 0.000 1.345 388 S CA 0.277 58.481 58.200 0.006 0.000 1.031 388 S CB 0.130 63.339 63.200 0.016 0.000 0.892 388 S HN 0.849 nan 8.310 nan 0.000 0.529 389 N N 2.461 121.185 118.700 0.039 0.000 2.020 389 N HA -0.286 4.454 4.740 -0.000 0.000 0.199 389 N C 1.420 177.024 175.510 0.155 0.000 1.059 389 N CA 2.067 55.169 53.050 0.086 0.000 0.877 389 N CB -0.476 38.057 38.487 0.077 0.000 1.078 389 N HN 0.739 nan 8.380 nan 0.000 0.452 390 N N 1.095 119.861 118.700 0.110 0.000 2.036 390 N HA -0.240 4.500 4.740 -0.000 0.000 0.199 390 N C 1.795 177.372 175.510 0.112 0.000 1.036 390 N CA 1.658 54.768 53.050 0.099 0.000 0.870 390 N CB -1.020 37.502 38.487 0.058 0.000 1.055 390 N HN 0.463 nan 8.380 nan 0.000 0.436 391 A N 0.276 123.155 122.820 0.098 0.000 2.159 391 A HA -0.204 4.116 4.320 -0.000 0.000 0.222 391 A C 1.943 179.623 177.584 0.160 0.000 1.163 391 A CA 1.358 53.454 52.037 0.098 0.000 0.664 391 A CB -0.753 18.288 19.000 0.069 0.000 0.803 391 A HN 0.384 nan 8.150 nan 0.000 0.470 392 F N -0.268 119.696 119.950 0.023 0.000 2.222 392 F HA 0.113 4.640 4.527 -0.000 0.000 0.285 392 F C 2.281 178.140 175.800 0.098 0.000 1.068 392 F CA 0.865 58.887 58.000 0.037 0.000 1.265 392 F CB -0.377 38.611 39.000 -0.019 0.000 1.087 392 F HN 0.083 nan 8.300 nan 0.000 0.511 393 R N 0.261 120.771 120.500 0.018 0.000 2.113 393 R HA -0.283 4.057 4.340 -0.000 0.000 0.244 393 R C 2.250 178.481 176.300 -0.115 0.000 1.142 393 R CA 2.015 58.061 56.100 -0.089 0.000 0.953 393 R CB -1.039 29.292 30.300 0.051 0.000 0.860 393 R HN 0.472 nan 8.270 nan 0.000 0.438 394 Q N 0.012 119.798 119.800 -0.024 0.000 2.297 394 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 394 Q C 1.630 177.605 176.000 -0.042 0.000 0.981 394 Q CA 1.313 57.112 55.803 -0.007 0.000 0.876 394 Q CB -0.024 28.739 28.738 0.041 0.000 0.921 394 Q HN 0.346 nan 8.270 nan 0.000 0.446 395 F N -0.779 119.023 119.950 -0.246 0.000 2.335 395 F HA -0.045 4.482 4.527 -0.000 0.000 0.296 395 F C 1.672 177.244 175.800 -0.380 0.000 1.091 395 F CA 0.489 58.308 58.000 -0.301 0.000 1.399 395 F CB -0.026 38.776 39.000 -0.329 0.000 1.067 395 F HN -0.139 nan 8.300 nan 0.000 0.520 396 V N 1.041 120.668 119.914 -0.478 0.000 2.216 396 V HA -0.327 3.792 4.120 -0.000 0.000 0.243 396 V C 2.481 178.373 176.094 -0.338 0.000 1.044 396 V CA 1.862 63.882 62.300 -0.467 0.000 0.995 396 V CB -0.748 30.871 31.823 -0.340 0.000 0.633 396 V HN 0.253 nan 8.190 nan 0.000 0.446 397 I N 0.993 121.443 120.570 -0.200 0.000 2.130 397 I HA -0.357 3.812 4.170 -0.000 0.000 0.241 397 I C 2.623 178.665 176.117 -0.125 0.000 1.023 397 I CA 2.547 63.783 61.300 -0.108 0.000 1.293 397 I CB -1.980 35.987 38.000 -0.055 0.000 1.001 397 I HN 0.484 nan 8.210 nan 0.000 0.407 398 G N -0.020 108.660 108.800 -0.200 0.000 2.469 398 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.220 398 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.220 398 G C 1.784 176.552 174.900 -0.220 0.000 1.136 398 G CA 1.256 46.238 45.100 -0.196 0.000 0.759 398 G HN 0.339 nan 8.290 nan 0.000 0.562 399 V N 0.383 120.061 119.914 -0.394 0.000 2.283 399 V HA -0.091 4.029 4.120 -0.000 0.000 0.239 399 V C 3.050 179.132 176.094 -0.020 0.000 1.035 399 V CA 2.157 64.271 62.300 -0.310 0.000 1.018 399 V CB -1.022 30.408 31.823 -0.654 0.000 0.658 399 V HN 0.347 nan 8.190 nan 0.000 0.459 400 T N 0.566 115.129 114.554 0.015 0.000 2.822 400 T HA -0.160 4.190 4.350 -0.000 0.000 0.270 400 T C 1.746 176.502 174.700 0.092 0.000 1.064 400 T CA 1.607 63.812 62.100 0.175 0.000 1.131 400 T CB -0.546 68.409 68.868 0.145 0.000 0.858 400 T HN 0.636 nan 8.240 nan 0.000 0.483 401 G N -0.353 108.482 108.800 0.058 0.000 2.425 401 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.213 401 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.213 401 G C 1.313 176.295 174.900 0.137 0.000 1.201 401 G CA 0.314 45.460 45.100 0.077 0.000 0.799 401 G HN 0.452 nan 8.290 nan 0.000 0.534 402 Y N 2.083 122.389 120.300 0.011 0.000 2.097 402 Y HA 0.054 4.604 4.550 -0.000 0.000 0.282 402 Y C 2.597 178.528 175.900 0.050 0.000 1.152 402 Y CA 0.968 59.089 58.100 0.035 0.000 1.136 402 Y CB -0.466 38.014 38.460 0.033 0.000 0.975 402 Y HN 0.205 nan 8.280 nan 0.000 0.498 403 A N -0.322 122.575 122.820 0.129 0.000 2.305 403 A HA 0.111 4.431 4.320 -0.000 0.000 0.236 403 A C 1.694 179.296 177.584 0.029 0.000 1.392 403 A CA 0.868 52.936 52.037 0.053 0.000 1.205 403 A CB -0.814 18.285 19.000 0.166 0.000 0.881 403 A HN 0.580 nan 8.150 nan 0.000 0.558 404 K N -1.122 119.279 120.400 0.002 0.000 2.770 404 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 404 K C 1.666 178.259 176.600 -0.012 0.000 1.515 404 K CA 0.635 56.923 56.287 0.002 0.000 1.199 404 K CB 0.068 32.575 32.500 0.012 0.000 1.681 404 K HN 0.509 nan 8.250 nan 0.000 0.586 405 Q N 0.070 119.858 119.800 -0.019 0.000 2.403 405 Q HA 0.037 4.377 4.340 -0.000 0.000 0.203 405 Q C 0.588 176.548 176.000 -0.067 0.000 0.932 405 Q CA 0.809 56.600 55.803 -0.021 0.000 0.945 405 Q CB 0.533 29.276 28.738 0.007 0.000 1.045 405 Q HN 0.053 nan 8.270 nan 0.000 0.511 406 E N 1.015 121.138 120.200 -0.129 0.000 2.437 406 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 406 E C -0.261 176.281 176.600 -0.097 0.000 1.029 406 E CA -0.005 56.275 56.400 -0.199 0.000 0.948 406 E CB 0.062 29.475 29.700 -0.479 0.000 1.082 406 E HN 0.248 nan 8.360 nan 0.000 0.456 407 E N -0.762 119.414 120.200 -0.040 0.000 3.649 407 E HA -0.274 4.076 4.350 -0.000 0.000 0.305 407 E C -0.130 176.486 176.600 0.027 0.000 0.760 407 E CA 1.056 57.457 56.400 0.002 0.000 1.038 407 E CB -1.588 28.114 29.700 0.004 0.000 1.531 407 E HN 0.446 nan 8.360 nan 0.000 0.459 408 I N 2.318 122.899 120.570 0.017 0.000 2.533 408 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 408 I C 1.020 177.195 176.117 0.096 0.000 1.109 408 I CA 0.408 61.749 61.300 0.069 0.000 1.412 408 I CB 0.656 38.699 38.000 0.073 0.000 1.396 408 I HN -0.199 nan 8.210 nan 0.000 0.543 409 T N 4.864 119.509 114.554 0.152 0.000 2.910 409 T HA 0.451 4.801 4.350 -0.000 0.000 0.293 409 T C 0.355 175.147 174.700 0.153 0.000 1.015 409 T CA -0.483 61.726 62.100 0.181 0.000 1.094 409 T CB 1.330 70.392 68.868 0.322 0.000 0.968 409 T HN 0.840 nan 8.240 nan 0.000 0.521 410 G N 1.153 109.926 108.800 -0.045 0.000 2.566 410 G HA2 0.594 4.554 3.960 -0.000 0.000 0.311 410 G HA3 0.594 4.554 3.960 -0.000 0.000 0.311 410 G C -1.758 172.774 174.900 -0.614 0.000 1.322 410 G CA -0.530 44.409 45.100 -0.267 0.000 0.969 410 G HN 0.613 nan 8.290 nan 0.000 0.490 411 L N 2.300 123.197 121.223 -0.544 0.000 2.342 411 L HA 0.682 5.022 4.340 -0.000 0.000 0.276 411 L C -1.305 175.539 176.870 -0.045 0.000 0.997 411 L CA -1.061 53.434 54.840 -0.575 0.000 0.838 411 L CB 0.539 42.045 42.059 -0.922 0.000 1.224 411 L HN 0.458 nan 8.230 nan 0.000 0.416 412 F N 3.242 123.104 119.950 -0.147 0.000 2.426 412 F HA 0.446 4.973 4.527 -0.000 0.000 0.348 412 F C 0.523 176.296 175.800 -0.045 0.000 1.124 412 F CA -1.056 56.908 58.000 -0.061 0.000 1.008 412 F CB 1.994 40.967 39.000 -0.046 0.000 1.139 412 F HN 0.329 nan 8.300 nan 0.000 0.452 413 T N 2.581 117.247 114.554 0.186 0.000 2.845 413 T HA 0.244 4.594 4.350 -0.000 0.000 0.288 413 T C -0.591 174.167 174.700 0.097 0.000 0.980 413 T CA -0.536 61.629 62.100 0.108 0.000 1.071 413 T CB 1.307 70.238 68.868 0.105 0.000 0.941 413 T HN 0.516 nan 8.240 nan 0.000 0.487 414 N N 0.607 119.348 118.700 0.069 0.000 2.329 414 N HA 0.464 5.203 4.740 -0.000 0.000 0.282 414 N C -1.629 173.903 175.510 0.037 0.000 1.198 414 N CA -0.603 52.478 53.050 0.053 0.000 0.790 414 N CB 1.959 40.481 38.487 0.058 0.000 1.579 414 N HN 0.403 nan 8.380 nan 0.000 0.475 415 T N 0.910 115.478 114.554 0.023 0.000 2.864 415 T HA 0.300 4.650 4.350 -0.000 0.000 0.310 415 T C -0.634 174.071 174.700 0.008 0.000 1.040 415 T CA -0.664 61.453 62.100 0.027 0.000 0.977 415 T CB 0.247 69.134 68.868 0.031 0.000 0.976 415 T HN 0.543 nan 8.240 nan 0.000 0.459 416 S N 2.679 118.387 115.700 0.013 0.000 2.429 416 S HA 0.074 4.544 4.470 -0.000 0.000 0.292 416 S C 0.882 175.480 174.600 -0.003 0.000 1.183 416 S CA -0.689 57.505 58.200 -0.010 0.000 1.088 416 S CB 0.247 63.437 63.200 -0.017 0.000 1.018 416 S HN 0.561 nan 8.310 nan 0.000 0.511 417 D N 2.268 122.651 120.400 -0.029 0.000 2.424 417 D HA -0.148 4.492 4.640 -0.000 0.000 0.221 417 D C 0.765 177.033 176.300 -0.053 0.000 0.978 417 D CA 1.207 55.187 54.000 -0.033 0.000 0.971 417 D CB -0.010 40.757 40.800 -0.056 0.000 0.869 417 D HN 0.955 nan 8.370 nan 0.000 0.506 418 Q N -0.027 119.735 119.800 -0.064 0.000 2.263 418 Q HA 0.326 4.666 4.340 -0.000 0.000 0.262 418 Q C -0.761 175.174 176.000 -0.109 0.000 0.984 418 Q CA -1.061 54.647 55.803 -0.159 0.000 0.813 418 Q CB 1.001 29.612 28.738 -0.213 0.000 1.299 418 Q HN -0.055 nan 8.270 nan 0.000 0.428 419 F N 1.244 121.164 119.950 -0.051 0.000 2.368 419 F HA 0.614 5.141 4.527 -0.000 0.000 0.315 419 F C 0.353 176.116 175.800 -0.061 0.000 1.145 419 F CA -1.334 56.653 58.000 -0.023 0.000 1.095 419 F CB 0.453 39.439 39.000 -0.023 0.000 1.286 419 F HN 0.692 nan 8.300 nan 0.000 0.530 420 M N 1.867 121.690 119.600 0.371 0.000 3.429 420 M HA -0.117 4.363 4.480 -0.000 0.000 0.163 420 M C 0.580 176.840 176.300 -0.066 0.000 1.410 420 M CA 1.314 56.726 55.300 0.187 0.000 0.904 420 M CB -1.867 30.954 32.600 0.369 0.000 1.289 420 M HN 1.346 nan 8.290 nan 0.000 0.577 421 G N -0.176 108.515 108.800 -0.181 0.000 2.559 421 G HA2 0.139 4.099 3.960 -0.000 0.000 0.202 421 G HA3 0.139 4.099 3.960 -0.000 0.000 0.202 421 G C 0.100 174.612 174.900 -0.648 0.000 0.992 421 G CA -0.156 44.672 45.100 -0.453 0.000 0.764 421 G HN 1.296 nan 8.290 nan 0.000 0.525 422 A N 1.793 124.422 122.820 -0.318 0.000 2.901 422 A HA 0.384 4.704 4.320 -0.000 0.000 0.289 422 A C 0.776 178.253 177.584 -0.179 0.000 1.779 422 A CA 0.082 51.990 52.037 -0.215 0.000 1.352 422 A CB -0.752 18.187 19.000 -0.101 0.000 1.008 422 A HN 0.438 nan 8.150 nan 0.000 0.596 423 H N 1.861 120.906 119.070 -0.041 0.000 4.154 423 H HA 0.179 4.735 4.556 -0.000 0.000 0.224 423 H C 0.279 175.591 175.328 -0.027 0.000 1.227 423 H CA 1.008 57.037 56.048 -0.031 0.000 1.274 423 H CB -0.786 28.966 29.762 -0.016 0.000 1.426 423 H HN 0.785 nan 8.280 nan 0.000 0.788 424 S N -1.467 114.251 115.700 0.029 0.000 2.714 424 S HA 0.092 4.562 4.470 -0.000 0.000 0.297 424 S C 0.422 174.984 174.600 -0.063 0.000 0.993 424 S CA -0.853 57.351 58.200 0.006 0.000 0.844 424 S CB 0.033 63.258 63.200 0.041 0.000 1.043 424 S HN -0.047 nan 8.310 nan 0.000 0.457 425 I N 2.047 122.561 120.570 -0.093 0.000 2.090 425 I HA -0.031 4.139 4.170 -0.000 0.000 0.236 425 I C 1.451 177.542 176.117 -0.044 0.000 1.064 425 I CA 1.263 62.489 61.300 -0.123 0.000 1.324 425 I CB -0.490 37.461 38.000 -0.082 0.000 1.044 425 I HN 0.673 nan 8.210 nan 0.000 0.399 426 N N 0.742 119.443 118.700 0.002 0.000 2.502 426 N HA 0.179 4.919 4.740 -0.000 0.000 0.280 426 N C -0.149 175.342 175.510 -0.031 0.000 1.223 426 N CA -0.284 52.769 53.050 0.005 0.000 0.966 426 N CB 1.373 39.888 38.487 0.046 0.000 1.203 426 N HN 0.193 nan 8.380 nan 0.000 0.565 427 D N -1.030 119.323 120.400 -0.078 0.000 2.473 427 D HA 0.078 4.717 4.640 -0.000 0.000 0.242 427 D C 0.685 176.788 176.300 -0.328 0.000 1.106 427 D CA 0.381 54.286 54.000 -0.158 0.000 0.854 427 D CB 0.123 40.851 40.800 -0.121 0.000 1.192 427 D HN 0.241 nan 8.370 nan 0.000 0.503 428 S N 0.144 115.716 115.700 -0.214 0.000 2.558 428 S HA -0.016 4.454 4.470 -0.000 0.000 0.217 428 S C -0.010 174.504 174.600 -0.145 0.000 0.975 428 S CA -0.003 58.093 58.200 -0.173 0.000 0.912 428 S CB 0.042 63.314 63.200 0.119 0.000 0.776 428 S HN 0.234 nan 8.310 nan 0.000 0.526 429 H N -0.042 119.089 119.070 0.101 0.000 3.031 429 H HA -0.083 4.473 4.556 -0.000 0.000 0.293 429 H C -0.313 175.064 175.328 0.082 0.000 1.305 429 H CA 0.263 56.360 56.048 0.081 0.000 1.162 429 H CB -2.436 27.367 29.762 0.068 0.000 1.341 429 H HN 0.268 nan 8.280 nan 0.000 0.413 434 T N -0.674 113.878 114.554 -0.004 0.000 2.926 434 T HA 0.566 4.916 4.350 -0.000 0.000 0.289 434 T C -0.050 174.612 174.700 -0.063 0.000 1.054 434 T CA -0.044 62.026 62.100 -0.050 0.000 1.015 434 T CB 2.791 71.626 68.868 -0.056 0.000 1.167 434 T HN 0.133 nan 8.240 nan 0.000 0.526 435 D N 0.845 121.186 120.400 -0.097 0.000 2.407 435 D HA 0.210 4.849 4.640 -0.000 0.000 0.208 435 D C -0.178 176.079 176.300 -0.071 0.000 1.083 435 D CA 0.326 54.277 54.000 -0.082 0.000 0.844 435 D CB 0.815 41.560 40.800 -0.092 0.000 0.967 435 D HN 0.537 nan 8.370 nan 0.000 0.506 436 T N 1.285 115.766 114.554 -0.121 0.000 3.032 436 T HA 0.357 4.707 4.350 -0.000 0.000 0.312 436 T C -0.639 173.972 174.700 -0.147 0.000 1.078 436 T CA -0.485 61.527 62.100 -0.147 0.000 1.028 436 T CB 2.250 70.955 68.868 -0.271 0.000 1.091 436 T HN -0.182 nan 8.240 nan 0.000 0.457 437 I N 4.398 124.919 120.570 -0.080 0.000 2.428 437 I HA 0.364 4.534 4.170 -0.000 0.000 0.279 437 I C -0.643 175.470 176.117 -0.006 0.000 1.040 437 I CA -0.769 60.533 61.300 0.004 0.000 1.171 437 I CB 0.853 38.975 38.000 0.204 0.000 1.312 437 I HN 0.533 nan 8.210 nan 0.000 0.470 438 I N 7.433 127.959 120.570 -0.073 0.000 2.331 438 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 438 I C -0.070 176.007 176.117 -0.067 0.000 0.998 438 I CA -0.833 60.426 61.300 -0.069 0.000 1.267 438 I CB 1.444 39.398 38.000 -0.076 0.000 1.386 438 I HN 0.314 nan 8.210 nan 0.000 0.476 439 L N 6.448 127.628 121.223 -0.072 0.000 2.381 439 L HA 0.700 5.040 4.340 -0.000 0.000 0.274 439 L C -1.120 175.717 176.870 -0.056 0.000 0.988 439 L CA -0.517 54.270 54.840 -0.089 0.000 0.824 439 L CB 1.602 43.556 42.059 -0.174 0.000 1.263 439 L HN 0.301 nan 8.230 nan 0.000 0.410 440 L N 4.033 125.239 121.223 -0.029 0.000 2.282 440 L HA 0.738 5.078 4.340 -0.000 0.000 0.288 440 L C -0.216 176.642 176.870 -0.021 0.000 1.033 440 L CA -0.506 54.353 54.840 0.033 0.000 0.807 440 L CB 1.399 43.500 42.059 0.070 0.000 1.209 440 L HN 0.920 nan 8.230 nan 0.000 0.423 441 Q N 1.779 121.553 119.800 -0.043 0.000 2.416 441 Q HA 0.466 4.806 4.340 -0.000 0.000 0.281 441 Q C -1.724 174.164 176.000 -0.186 0.000 1.067 441 Q CA -1.004 54.747 55.803 -0.087 0.000 0.809 441 Q CB 1.689 30.408 28.738 -0.032 0.000 1.418 441 Q HN 0.410 nan 8.270 nan 0.000 0.411 442 Y N 0.558 120.819 120.300 -0.064 0.000 2.377 442 Y HA 0.410 4.960 4.550 -0.000 0.000 0.330 442 Y C -0.148 175.674 175.900 -0.129 0.000 1.108 442 Y CA -0.273 57.752 58.100 -0.124 0.000 1.308 442 Y CB 1.411 39.757 38.460 -0.189 0.000 1.216 442 Y HN 0.369 nan 8.280 nan 0.000 0.518 443 V N 3.070 122.969 119.914 -0.025 0.000 2.487 443 V HA 0.230 4.350 4.120 -0.000 0.000 0.298 443 V C -0.220 175.835 176.094 -0.065 0.000 1.028 443 V CA -1.332 60.889 62.300 -0.131 0.000 0.860 443 V CB 1.698 33.297 31.823 -0.372 0.000 0.991 443 V HN 0.718 nan 8.190 nan 0.000 0.427 444 E N 5.039 125.202 120.200 -0.062 0.000 1.936 444 E HA 0.271 4.621 4.350 -0.000 0.000 0.267 444 E C -1.130 175.456 176.600 -0.024 0.000 1.076 444 E CA -0.431 55.953 56.400 -0.027 0.000 0.870 444 E CB 0.433 30.130 29.700 -0.006 0.000 1.093 444 E HN 0.483 nan 8.360 nan 0.000 0.411 445 I N 4.361 124.925 120.570 -0.011 0.000 2.330 445 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 445 I C 0.455 176.606 176.117 0.056 0.000 1.001 445 I CA -0.538 60.770 61.300 0.013 0.000 1.193 445 I CB 0.947 38.945 38.000 -0.002 0.000 1.345 445 I HN 0.618 nan 8.210 nan 0.000 0.461 446 R N 3.740 124.295 120.500 0.092 0.000 3.205 446 R HA -0.191 4.149 4.340 -0.000 0.000 0.249 446 R C 0.883 177.210 176.300 0.044 0.000 0.937 446 R CA 0.551 56.698 56.100 0.078 0.000 0.641 446 R CB -1.951 28.398 30.300 0.082 0.000 1.114 446 R HN 1.108 nan 8.270 nan 0.000 0.451 447 G N 0.362 109.184 108.800 0.036 0.000 2.371 447 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.299 447 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.299 447 G C -0.232 174.670 174.900 0.004 0.000 1.014 447 G CA 0.896 46.006 45.100 0.017 0.000 1.097 447 G HN 0.612 nan 8.290 nan 0.000 0.512 448 E N -0.570 119.631 120.200 0.000 0.000 2.335 448 E HA 0.254 4.604 4.350 -0.000 0.000 0.280 448 E C 0.018 176.610 176.600 -0.013 0.000 0.918 448 E CA -1.098 55.297 56.400 -0.009 0.000 0.765 448 E CB 0.800 30.499 29.700 -0.002 0.000 1.218 448 E HN 0.137 nan 8.360 nan 0.000 0.425 449 M N 2.541 122.128 119.600 -0.021 0.000 2.557 449 M HA 0.141 4.621 4.480 -0.000 0.000 0.328 449 M C -0.197 176.129 176.300 0.042 0.000 1.423 449 M CA 0.100 55.410 55.300 0.018 0.000 1.418 449 M CB -0.970 31.620 32.600 -0.017 0.000 1.381 449 M HN 0.335 nan 8.290 nan 0.000 0.467 450 S N 2.966 118.672 115.700 0.010 0.000 2.437 450 S HA 0.725 5.195 4.470 -0.000 0.000 0.305 450 S C 0.034 174.549 174.600 -0.141 0.000 1.109 450 S CA -1.110 57.057 58.200 -0.054 0.000 1.099 450 S CB 1.820 65.027 63.200 0.011 0.000 1.004 450 S HN 0.563 nan 8.310 nan 0.000 0.475 451 R N 1.388 121.651 120.500 -0.394 0.000 2.840 451 R HA 0.691 5.031 4.340 -0.000 0.000 0.282 451 R C -0.047 176.052 176.300 -0.334 0.000 1.133 451 R CA 0.366 56.066 56.100 -0.667 0.000 1.208 451 R CB 0.048 29.435 30.300 -1.522 0.000 1.160 451 R HN 1.041 nan 8.270 nan 0.000 0.576 452 A N 0.540 123.354 122.820 -0.011 0.000 2.495 452 A HA 0.280 4.600 4.320 -0.000 0.000 0.297 452 A C -1.153 176.687 177.584 0.426 0.000 1.036 452 A CA -0.633 51.626 52.037 0.369 0.000 0.982 452 A CB 0.364 19.461 19.000 0.161 0.000 1.476 452 A HN 0.620 nan 8.150 nan 0.000 0.393 453 I N 2.437 123.231 120.570 0.374 0.000 2.499 453 I HA 0.672 4.842 4.170 -0.000 0.000 0.296 453 I C -0.377 175.741 176.117 0.003 0.000 0.992 453 I CA -0.251 61.029 61.300 -0.033 0.000 1.297 453 I CB 1.350 39.054 38.000 -0.494 0.000 1.410 453 I HN 0.824 nan 8.210 nan 0.000 0.507 454 N N 5.255 123.941 118.700 -0.023 0.000 2.431 454 N HA 0.219 4.959 4.740 -0.000 0.000 0.275 454 N C -1.936 173.552 175.510 -0.037 0.000 1.091 454 N CA -0.654 52.394 53.050 -0.004 0.000 0.922 454 N CB 1.863 40.375 38.487 0.041 0.000 1.666 454 N HN 0.223 nan 8.380 nan 0.000 0.484 455 V N 4.346 124.202 119.914 -0.097 0.000 2.356 455 V HA 0.199 4.319 4.120 -0.000 0.000 0.258 455 V C 0.880 176.792 176.094 -0.303 0.000 1.065 455 V CA -0.390 61.764 62.300 -0.243 0.000 0.935 455 V CB -0.557 31.020 31.823 -0.411 0.000 1.061 455 V HN 0.711 nan 8.190 nan 0.000 0.484 456 F N 5.007 124.775 119.950 -0.304 0.000 2.206 456 F HA 0.108 4.635 4.527 -0.000 0.000 0.298 456 F C 1.146 176.820 175.800 -0.210 0.000 1.090 456 F CA 0.964 58.844 58.000 -0.199 0.000 1.323 456 F CB 0.228 39.162 39.000 -0.110 0.000 1.028 456 F HN 0.533 nan 8.300 nan 0.000 0.492 457 K N -0.516 119.715 120.400 -0.282 0.000 2.587 457 K HA 0.475 4.795 4.320 -0.000 0.000 0.276 457 K C -1.642 174.902 176.600 -0.094 0.000 0.956 457 K CA -0.767 55.402 56.287 -0.196 0.000 0.857 457 K CB 1.463 33.857 32.500 -0.178 0.000 1.431 457 K HN 0.035 nan 8.250 nan 0.000 0.420 458 M N 3.316 122.981 119.600 0.107 0.000 2.272 458 M HA 0.258 4.738 4.480 -0.000 0.000 0.240 458 M C 0.095 176.463 176.300 0.114 0.000 0.991 458 M CA -0.563 54.834 55.300 0.162 0.000 1.008 458 M CB 2.093 34.896 32.600 0.337 0.000 2.221 458 M HN 0.746 nan 8.290 nan 0.000 0.469 459 R N 0.750 121.258 120.500 0.012 0.000 2.120 459 R HA -0.060 4.280 4.340 -0.000 0.000 0.234 459 R C 1.771 178.028 176.300 -0.070 0.000 1.123 459 R CA 1.974 58.049 56.100 -0.043 0.000 0.975 459 R CB 0.017 30.265 30.300 -0.087 0.000 0.866 459 R HN 0.857 nan 8.270 nan 0.000 0.446 460 G N -0.024 108.686 108.800 -0.150 0.000 2.648 460 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 460 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 460 G C 0.535 175.546 174.900 0.184 0.000 1.386 460 G CA 0.011 44.985 45.100 -0.210 0.000 0.920 460 G HN 0.278 nan 8.290 nan 0.000 0.540 461 S N -1.040 115.012 115.700 0.587 0.000 2.731 461 S HA -0.002 4.468 4.470 -0.000 0.000 0.249 461 S C 0.929 175.714 174.600 0.309 0.000 1.390 461 S CA 0.818 59.315 58.200 0.494 0.000 0.964 461 S CB 0.123 63.604 63.200 0.468 0.000 0.965 461 S HN 0.465 nan 8.310 nan 0.000 0.579 462 W N 1.244 122.595 121.300 0.085 0.000 2.633 462 W HA 0.168 4.828 4.660 -0.000 0.000 0.295 462 W C 0.366 176.734 176.519 -0.251 0.000 1.133 462 W CA 1.958 59.255 57.345 -0.080 0.000 1.490 462 W CB -0.742 28.689 29.460 -0.048 0.000 1.127 462 W HN 1.113 nan 8.180 nan 0.000 0.538 463 H N 0.160 118.912 119.070 -0.530 0.000 4.339 463 H HA -0.208 4.348 4.556 -0.000 0.000 0.258 463 H C -0.629 173.529 175.328 -1.951 0.000 0.579 463 H CA -0.013 55.453 56.048 -0.970 0.000 0.709 463 H CB -1.869 27.661 29.762 -0.386 0.000 1.090 463 H HN 0.257 nan 8.280 nan 0.000 0.300 464 D N 1.539 121.363 120.400 -0.960 0.000 2.382 464 D HA 0.071 4.711 4.640 -0.000 0.000 0.240 464 D C 0.682 176.919 176.300 -0.105 0.000 1.146 464 D CA -0.101 53.592 54.000 -0.513 0.000 0.897 464 D CB 0.632 41.376 40.800 -0.093 0.000 1.197 464 D HN 0.553 nan 8.370 nan 0.000 0.432 465 K N 1.077 121.467 120.400 -0.017 0.000 2.387 465 K HA 0.292 4.612 4.320 -0.000 0.000 0.203 465 K C -0.023 176.633 176.600 0.092 0.000 1.030 465 K CA -0.362 55.967 56.287 0.071 0.000 1.099 465 K CB 0.619 33.161 32.500 0.070 0.000 0.863 465 K HN 0.286 nan 8.250 nan 0.000 0.529 466 A N 1.426 124.301 122.820 0.092 0.000 2.309 466 A HA 0.531 4.851 4.320 -0.000 0.000 0.298 466 A C -0.243 177.410 177.584 0.114 0.000 1.165 466 A CA -0.575 51.530 52.037 0.113 0.000 0.821 466 A CB 0.114 19.188 19.000 0.123 0.000 1.102 466 A HN 0.129 nan 8.150 nan 0.000 0.500 467 I N 2.611 123.264 120.570 0.139 0.000 2.379 467 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 467 I C 0.674 176.934 176.117 0.238 0.000 1.063 467 I CA 0.754 62.146 61.300 0.153 0.000 1.351 467 I CB 0.466 38.539 38.000 0.122 0.000 1.410 467 I HN 0.595 nan 8.210 nan 0.000 0.505 468 R N 5.409 126.043 120.500 0.223 0.000 2.599 468 R HA 0.454 4.794 4.340 -0.000 0.000 0.295 468 R C -0.278 176.225 176.300 0.337 0.000 0.963 468 R CA -0.922 55.322 56.100 0.239 0.000 0.883 468 R CB 2.016 32.399 30.300 0.138 0.000 1.171 468 R HN 0.688 nan 8.270 nan 0.000 0.450 469 E N 3.232 123.619 120.200 0.312 0.000 2.376 469 E HA 0.407 4.757 4.350 -0.000 0.000 0.254 469 E C -0.856 175.921 176.600 0.296 0.000 1.213 469 E CA -0.575 56.011 56.400 0.311 0.000 0.945 469 E CB 0.766 30.511 29.700 0.076 0.000 1.057 469 E HN 0.464 nan 8.360 nan 0.000 0.479 470 F N -1.523 118.427 119.950 -0.001 0.000 2.708 470 F HA 0.420 4.947 4.527 -0.000 0.000 0.309 470 F C -1.447 174.330 175.800 -0.037 0.000 1.120 470 F CA -1.335 56.648 58.000 -0.029 0.000 0.978 470 F CB 0.842 39.821 39.000 -0.035 0.000 1.283 470 F HN 0.557 nan 8.300 nan 0.000 0.439 471 M N 2.938 122.540 119.600 0.002 0.000 2.664 471 M HA 0.805 5.285 4.480 -0.000 0.000 0.314 471 M C -1.751 174.571 176.300 0.037 0.000 1.200 471 M CA -0.748 54.502 55.300 -0.084 0.000 0.916 471 M CB 1.958 34.530 32.600 -0.047 0.000 1.717 471 M HN 0.470 nan 8.290 nan 0.000 0.470 472 I N 2.145 122.719 120.570 0.006 0.000 2.488 472 I HA 0.743 4.913 4.170 -0.000 0.000 0.299 472 I C -0.044 176.125 176.117 0.087 0.000 0.984 472 I CA -0.059 61.275 61.300 0.056 0.000 1.250 472 I CB 1.379 39.414 38.000 0.059 0.000 1.389 472 I HN 1.088 nan 8.210 nan 0.000 0.488 473 S N 2.055 117.830 115.700 0.125 0.000 2.615 473 S HA 0.346 4.816 4.470 -0.000 0.000 0.269 473 S C -0.131 174.595 174.600 0.210 0.000 1.161 473 S CA -0.821 57.463 58.200 0.140 0.000 0.817 473 S CB 1.760 65.011 63.200 0.086 0.000 1.131 473 S HN 0.536 nan 8.310 nan 0.000 0.467 474 D N 0.661 121.158 120.400 0.161 0.000 2.403 474 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 474 D C 0.974 177.363 176.300 0.148 0.000 0.995 474 D CA 0.824 54.918 54.000 0.157 0.000 0.928 474 D CB -0.081 40.773 40.800 0.089 0.000 0.887 474 D HN 0.538 nan 8.370 nan 0.000 0.529 475 K N -0.050 120.426 120.400 0.127 0.000 2.334 475 K HA 0.314 4.634 4.320 -0.000 0.000 0.195 475 K C 1.267 177.919 176.600 0.086 0.000 1.045 475 K CA 0.490 56.830 56.287 0.088 0.000 1.004 475 K CB 1.116 33.652 32.500 0.059 0.000 0.837 475 K HN 0.156 nan 8.250 nan 0.000 0.510 476 G N 1.964 110.824 108.800 0.099 0.000 2.352 476 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.324 476 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.324 476 G C -3.021 171.867 174.900 -0.018 0.000 1.249 476 G CA -1.061 44.048 45.100 0.015 0.000 1.053 476 G HN -0.104 nan 8.290 nan 0.000 0.492 477 P HA 0.369 nan 4.420 nan 0.000 0.271 477 P C -1.106 176.210 177.300 0.026 0.000 1.216 477 P CA 0.569 63.663 63.100 -0.011 0.000 0.771 477 P CB 1.416 33.057 31.700 -0.097 0.000 0.864 478 D N 2.865 123.322 120.400 0.096 0.000 2.375 478 D HA 0.306 4.946 4.640 -0.000 0.000 0.259 478 D C -0.227 176.146 176.300 0.120 0.000 1.235 478 D CA -0.419 53.627 54.000 0.077 0.000 0.924 478 D CB -0.024 40.815 40.800 0.065 0.000 1.143 478 D HN 0.203 nan 8.370 nan 0.000 0.529 479 I N 4.100 124.708 120.570 0.064 0.000 2.389 479 I HA 0.086 4.256 4.170 -0.000 0.000 0.295 479 I C 1.009 177.166 176.117 0.066 0.000 1.117 479 I CA 0.105 61.448 61.300 0.072 0.000 1.317 479 I CB 0.216 38.209 38.000 -0.011 0.000 1.431 479 I HN 0.210 nan 8.210 nan 0.000 0.521 480 K N 4.425 124.876 120.400 0.084 0.000 2.760 480 K HA 0.284 4.603 4.320 -0.000 0.000 0.285 480 K C -0.084 176.522 176.600 0.010 0.000 1.016 480 K CA -0.901 55.404 56.287 0.029 0.000 1.087 480 K CB 0.498 32.996 32.500 -0.003 0.000 1.427 480 K HN 0.382 nan 8.250 nan 0.000 0.524 481 D N 0.930 121.309 120.400 -0.035 0.000 2.361 481 D HA -0.007 4.633 4.640 -0.000 0.000 0.239 481 D C 0.227 176.476 176.300 -0.085 0.000 1.200 481 D CA 0.201 54.173 54.000 -0.045 0.000 0.915 481 D CB 0.796 41.559 40.800 -0.062 0.000 1.170 481 D HN 0.478 nan 8.370 nan 0.000 0.444 482 S N -0.394 115.294 115.700 -0.019 0.000 2.686 482 S HA 0.297 4.767 4.470 -0.000 0.000 0.270 482 S C 0.180 174.756 174.600 -0.039 0.000 1.194 482 S CA -0.652 57.580 58.200 0.053 0.000 0.990 482 S CB 0.332 63.617 63.200 0.142 0.000 1.029 482 S HN 0.285 nan 8.310 nan 0.000 0.560 483 F N 1.171 121.168 119.950 0.079 0.000 2.871 483 F HA 0.416 4.943 4.527 -0.000 0.000 0.317 483 F C 2.011 177.941 175.800 0.216 0.000 1.193 483 F CA -0.729 57.350 58.000 0.133 0.000 1.311 483 F CB -0.488 38.531 39.000 0.031 0.000 1.380 483 F HN 0.696 nan 8.300 nan 0.000 0.557 484 R N 1.827 122.474 120.500 0.246 0.000 2.244 484 R HA -0.217 4.123 4.340 -0.000 0.000 0.252 484 R C 0.059 176.473 176.300 0.189 0.000 1.177 484 R CA 1.895 58.107 56.100 0.186 0.000 1.004 484 R CB -0.293 30.075 30.300 0.113 0.000 0.873 484 R HN 0.449 nan 8.270 nan 0.000 0.469 485 N N -0.609 118.245 118.700 0.256 0.000 2.735 485 N HA 0.150 4.890 4.740 -0.000 0.000 0.312 485 N C -1.302 174.187 175.510 -0.034 0.000 1.843 485 N CA -0.217 52.892 53.050 0.098 0.000 0.945 485 N CB 0.155 38.634 38.487 -0.012 0.000 1.299 485 N HN -0.021 nan 8.380 nan 0.000 0.489 486 F N -0.020 120.007 119.950 0.129 0.000 2.711 486 F HA 0.456 4.982 4.527 -0.000 0.000 0.313 486 F C -0.183 175.664 175.800 0.078 0.000 1.141 486 F CA -0.688 57.382 58.000 0.116 0.000 0.941 486 F CB 2.058 41.162 39.000 0.172 0.000 1.349 486 F HN -0.100 nan 8.300 nan 0.000 0.464 487 E N -0.250 120.118 120.200 0.280 0.000 2.393 487 E HA 0.589 4.939 4.350 -0.000 0.000 0.273 487 E C -0.692 175.988 176.600 0.133 0.000 0.918 487 E CA -0.844 55.650 56.400 0.157 0.000 0.773 487 E CB 2.204 31.963 29.700 0.097 0.000 1.275 487 E HN 0.554 nan 8.360 nan 0.000 0.451 488 R N 0.407 120.956 120.500 0.083 0.000 4.016 488 R HA -0.274 4.066 4.340 -0.000 0.000 0.385 488 R C 1.221 177.530 176.300 0.014 0.000 1.158 488 R CA 0.837 56.970 56.100 0.055 0.000 1.117 488 R CB -2.090 28.247 30.300 0.062 0.000 1.635 488 R HN 0.643 nan 8.270 nan 0.000 0.560 489 I N 0.445 121.009 120.570 -0.009 0.000 2.147 489 I HA -0.423 3.747 4.170 -0.000 0.000 0.245 489 I C 2.443 178.467 176.117 -0.156 0.000 1.059 489 I CA 1.984 63.187 61.300 -0.161 0.000 1.320 489 I CB -0.476 37.407 38.000 -0.194 0.000 1.021 489 I HN 0.185 nan 8.210 nan 0.000 0.415 490 I N 1.097 121.626 120.570 -0.067 0.000 2.151 490 I HA -0.334 3.835 4.170 -0.000 0.000 0.243 490 I C 2.949 179.049 176.117 -0.029 0.000 1.080 490 I CA 2.316 63.591 61.300 -0.041 0.000 1.339 490 I CB -1.527 36.481 38.000 0.013 0.000 1.039 490 I HN 0.443 nan 8.210 nan 0.000 0.409 491 S N 0.354 116.057 115.700 0.005 0.000 2.365 491 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 491 S C 1.882 176.477 174.600 -0.009 0.000 1.039 491 S CA 2.001 60.214 58.200 0.020 0.000 1.033 491 S CB -0.627 62.603 63.200 0.049 0.000 0.887 491 S HN 0.643 nan 8.310 nan 0.000 0.447 492 G N -0.508 108.273 108.800 -0.032 0.000 2.480 492 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.193 492 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.193 492 G C 0.279 175.161 174.900 -0.030 0.000 1.004 492 G CA 0.054 45.135 45.100 -0.033 0.000 0.696 492 G HN 0.680 nan 8.290 nan 0.000 0.478 493 S N 3.349 119.048 115.700 -0.001 0.000 2.790 493 S HA 0.556 5.025 4.470 -0.000 0.000 0.202 493 S C -1.833 172.789 174.600 0.037 0.000 1.383 493 S CA -0.728 57.484 58.200 0.021 0.000 1.026 493 S CB 1.516 64.740 63.200 0.038 0.000 1.253 493 S HN 0.326 nan 8.310 nan 0.000 0.489 494 P HA 0.130 nan 4.420 nan 0.000 0.278 494 P C -0.264 177.161 177.300 0.209 0.000 1.268 494 P CA 0.080 63.264 63.100 0.140 0.000 0.813 494 P CB 0.404 32.175 31.700 0.117 0.000 1.180 495 T N -1.488 113.253 114.554 0.313 0.000 3.670 495 T HA 0.137 4.487 4.350 -0.000 0.000 0.238 495 T C -0.363 174.378 174.700 0.069 0.000 0.793 495 T CA -0.639 61.564 62.100 0.171 0.000 1.523 495 T CB -0.261 68.665 68.868 0.097 0.000 0.854 495 T HN 0.372 nan 8.240 nan 0.000 0.591 496 R N 1.756 122.206 120.500 -0.084 0.000 2.598 496 R HA 0.002 4.342 4.340 -0.000 0.000 0.266 496 R C 1.526 177.640 176.300 -0.310 0.000 0.977 496 R CA 0.526 56.218 56.100 -0.680 0.000 1.097 496 R CB 0.220 30.036 30.300 -0.806 0.000 0.911 496 R HN 0.606 nan 8.270 nan 0.000 0.419 497 I N 0.789 121.173 120.570 -0.310 0.000 2.339 497 I HA -0.057 4.113 4.170 -0.000 0.000 0.245 497 I C 1.104 177.151 176.117 -0.116 0.000 1.096 497 I CA 0.932 62.144 61.300 -0.148 0.000 1.408 497 I CB -0.863 37.076 38.000 -0.101 0.000 1.092 497 I HN 0.927 nan 8.210 nan 0.000 0.423 498 T N -0.515 113.957 114.554 -0.137 0.000 3.830 498 T HA -0.176 4.174 4.350 -0.000 0.000 0.351 498 T C 0.218 174.887 174.700 -0.052 0.000 0.758 498 T CA 0.459 62.508 62.100 -0.086 0.000 1.857 498 T CB -3.445 65.379 68.868 -0.074 0.000 1.864 498 T HN 0.393 nan 8.240 nan 0.000 0.772 499 V N 1.254 121.140 119.914 -0.047 0.000 2.644 499 V HA 0.064 4.183 4.120 -0.000 0.000 0.305 499 V C 1.241 177.323 176.094 -0.020 0.000 1.053 499 V CA 0.393 62.677 62.300 -0.027 0.000 1.186 499 V CB 0.202 32.013 31.823 -0.020 0.000 0.895 499 V HN 0.590 nan 8.190 nan 0.000 0.490 500 D N 4.612 125.004 120.400 -0.014 0.000 2.941 500 D HA 0.265 4.905 4.640 -0.000 0.000 0.236 500 D C 0.730 177.026 176.300 -0.006 0.000 1.147 500 D CA 0.322 54.316 54.000 -0.009 0.000 0.975 500 D CB -0.274 40.522 40.800 -0.007 0.000 1.162 500 D HN 0.816 nan 8.370 nan 0.000 0.444 501 E N 0.274 120.470 120.200 -0.007 0.000 3.229 501 E HA -0.302 4.048 4.350 -0.000 0.000 0.354 501 E C 0.706 177.306 176.600 -0.001 0.000 1.487 501 E CA 1.333 57.732 56.400 -0.003 0.000 1.617 501 E CB -0.577 29.122 29.700 -0.001 0.000 1.768 501 E HN 0.345 nan 8.360 nan 0.000 0.497 502 K N 1.071 121.471 120.400 0.001 0.000 2.564 502 K HA 0.321 4.641 4.320 -0.000 0.000 0.205 502 K C -0.058 176.543 176.600 0.002 0.000 1.053 502 K CA 0.625 56.913 56.287 0.002 0.000 1.072 502 K CB 1.489 33.991 32.500 0.004 0.000 0.822 502 K HN 0.550 nan 8.250 nan 0.000 0.497 503 S N 1.144 116.844 115.700 0.000 0.000 3.797 503 S HA -0.156 4.314 4.470 -0.000 0.000 0.374 503 S C -0.578 174.023 174.600 0.001 0.000 0.970 503 S CA 1.229 59.429 58.200 0.000 0.000 1.177 503 S CB -1.267 61.934 63.200 0.001 0.000 0.891 503 S HN 0.681 nan 8.310 nan 0.000 0.491 504 E N 0.000 120.201 120.200 0.001 0.000 2.725 504 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 504 E CA 0.000 56.401 56.400 0.002 0.000 0.976 504 E CB 0.000 29.701 29.700 0.001 0.000 0.812 504 E HN 0.000 nan 8.360 nan 0.000 0.440