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 3k09_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 SITDSHIDXI 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 0.000 176.744 176.600 0.240 0.000 1.382 14 E CA 0.000 56.434 56.400 0.056 0.000 0.976 14 E CB 0.000 29.735 29.700 0.059 0.000 0.812 15 H N 2.963 122.039 119.070 0.010 0.000 2.507 15 H HA 0.363 4.918 4.556 -0.000 0.000 0.271 15 H C 0.069 175.404 175.328 0.012 0.000 1.224 15 H CA -0.371 55.684 56.048 0.011 0.000 1.000 15 H CB 0.823 30.591 29.762 0.010 0.000 1.663 15 H HN 0.297 nan 8.280 nan 0.000 0.548 16 Q N 0.211 120.083 119.800 0.120 0.000 2.572 16 Q HA 0.635 4.975 4.340 -0.000 0.000 0.284 16 Q C -0.001 176.033 176.000 0.057 0.000 1.091 16 Q CA -1.070 54.776 55.803 0.072 0.000 0.840 16 Q CB 2.070 30.837 28.738 0.049 0.000 1.433 16 Q HN 0.396 nan 8.270 nan 0.000 0.471 17 A N 0.639 123.486 122.820 0.045 0.000 2.325 17 A HA 0.110 4.430 4.320 -0.000 0.000 0.283 17 A C 0.122 177.733 177.584 0.044 0.000 1.211 17 A CA 0.007 52.069 52.037 0.042 0.000 0.850 17 A CB -0.157 18.866 19.000 0.039 0.000 1.122 17 A HN 0.498 nan 8.150 nan 0.000 0.515 18 I N -0.457 120.140 120.570 0.046 0.000 2.581 18 I HA 0.401 4.570 4.170 -0.000 0.000 0.288 18 I C 0.823 176.966 176.117 0.044 0.000 1.047 18 I CA 0.137 61.465 61.300 0.047 0.000 1.374 18 I CB 0.572 38.604 38.000 0.053 0.000 1.423 18 I HN 0.623 nan 8.210 nan 0.000 0.549 19 A N 6.661 129.504 122.820 0.039 0.000 2.304 19 A HA 0.614 4.934 4.320 -0.000 0.000 0.323 19 A C -0.197 177.407 177.584 0.034 0.000 1.195 19 A CA -0.690 51.365 52.037 0.030 0.000 0.826 19 A CB 0.696 19.707 19.000 0.018 0.000 1.184 19 A HN 0.725 nan 8.150 nan 0.000 0.496 20 K N 1.732 122.152 120.400 0.034 0.000 2.207 20 K HA 0.529 4.849 4.320 -0.000 0.000 0.255 20 K C -0.609 175.999 176.600 0.013 0.000 0.941 20 K CA -0.364 55.950 56.287 0.045 0.000 0.825 20 K CB 2.284 34.830 32.500 0.076 0.000 1.119 20 K HN 0.839 nan 8.250 nan 0.000 0.430 21 M N 2.698 122.307 119.600 0.016 0.000 2.318 21 M HA 0.320 4.800 4.480 -0.000 0.000 0.347 21 M C -0.716 175.577 176.300 -0.012 0.000 1.175 21 M CA -0.379 54.887 55.300 -0.057 0.000 1.075 21 M CB 0.905 33.474 32.600 -0.051 0.000 1.614 21 M HN 0.460 nan 8.290 nan 0.000 0.456 22 R N 1.778 122.220 120.500 -0.097 0.000 2.357 22 R HA 0.242 4.582 4.340 -0.000 0.000 0.296 22 R C 1.064 177.389 176.300 0.042 0.000 1.052 22 R CA 0.051 56.159 56.100 0.013 0.000 0.988 22 R CB 0.832 31.151 30.300 0.032 0.000 1.025 22 R HN 0.831 nan 8.270 nan 0.000 0.469 23 T N -0.402 114.221 114.554 0.115 0.000 3.009 23 T HA -0.007 4.343 4.350 -0.000 0.000 0.258 23 T C 1.149 175.874 174.700 0.041 0.000 1.063 23 T CA 0.120 62.265 62.100 0.075 0.000 1.139 23 T CB 0.221 69.065 68.868 -0.041 0.000 0.890 23 T HN 0.538 nan 8.240 nan 0.000 0.471 24 M N -0.815 118.833 119.600 0.081 0.000 2.961 24 M HA -0.110 4.370 4.480 -0.000 0.000 0.198 24 M C -0.065 176.235 176.300 0.001 0.000 0.610 24 M CA 0.220 55.557 55.300 0.061 0.000 0.755 24 M CB -2.414 30.224 32.600 0.064 0.000 2.707 24 M HN 0.436 nan 8.290 nan 0.000 0.299 25 I N 2.105 122.650 120.570 -0.042 0.000 2.576 25 I HA -0.034 4.135 4.170 -0.000 0.000 0.288 25 I C 1.328 177.444 176.117 -0.001 0.000 1.126 25 I CA 0.159 61.404 61.300 -0.091 0.000 1.362 25 I CB 0.090 37.944 38.000 -0.244 0.000 1.419 25 I HN 0.119 nan 8.210 nan 0.000 0.533 26 E N 6.258 126.441 120.200 -0.027 0.000 3.306 26 E HA -0.180 4.170 4.350 -0.000 0.000 0.230 26 E C 1.179 177.749 176.600 -0.051 0.000 0.992 26 E CA 1.186 57.561 56.400 -0.042 0.000 0.938 26 E CB 0.070 29.720 29.700 -0.084 0.000 0.904 26 E HN 0.999 nan 8.360 nan 0.000 0.568 27 G N 4.534 113.328 108.800 -0.010 0.000 2.284 27 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.230 27 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.230 27 G C 0.652 175.563 174.900 0.018 0.000 1.021 27 G CA 0.211 45.298 45.100 -0.023 0.000 0.619 27 G HN 0.581 nan 8.290 nan 0.000 0.510 28 F N 2.354 122.283 119.950 -0.035 0.000 2.171 28 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 28 F C 2.216 178.030 175.800 0.022 0.000 1.090 28 F CA 2.394 60.399 58.000 0.010 0.000 1.293 28 F CB 0.103 39.126 39.000 0.039 0.000 1.013 28 F HN 0.230 nan 8.300 nan 0.000 0.486 29 D N -0.431 120.110 120.400 0.235 0.000 2.317 29 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 29 D C 1.558 177.906 176.300 0.079 0.000 0.966 29 D CA 0.865 54.969 54.000 0.174 0.000 0.876 29 D CB -0.390 40.511 40.800 0.168 0.000 0.927 29 D HN 0.447 nan 8.370 nan 0.000 0.519 30 D N 0.645 121.061 120.400 0.027 0.000 2.183 30 D HA -0.013 4.627 4.640 -0.000 0.000 0.203 30 D C 2.209 178.523 176.300 0.024 0.000 0.969 30 D CA 0.441 54.450 54.000 0.015 0.000 0.842 30 D CB 0.419 41.205 40.800 -0.024 0.000 0.957 30 D HN 0.278 nan 8.370 nan 0.000 0.484 31 I N 0.750 121.250 120.570 -0.117 0.000 2.585 31 I HA -0.140 4.030 4.170 -0.000 0.000 0.254 31 I C 1.787 177.785 176.117 -0.199 0.000 1.129 31 I CA 0.504 61.670 61.300 -0.223 0.000 1.455 31 I CB 0.114 37.862 38.000 -0.420 0.000 1.111 31 I HN -0.110 nan 8.210 nan 0.000 0.433 32 S N -0.894 114.686 115.700 -0.200 0.000 2.763 32 S HA 0.022 4.492 4.470 -0.000 0.000 0.237 32 S C 0.484 175.143 174.600 0.098 0.000 0.966 32 S CA -0.307 57.825 58.200 -0.114 0.000 1.017 32 S CB -0.682 62.460 63.200 -0.097 0.000 0.780 32 S HN 0.387 nan 8.310 nan 0.000 0.476 33 H N 0.973 120.045 119.070 0.005 0.000 2.518 33 H HA -0.181 4.375 4.556 -0.000 0.000 0.320 33 H C 1.379 176.729 175.328 0.037 0.000 1.041 33 H CA 1.051 57.113 56.048 0.023 0.000 1.129 33 H CB -1.591 28.193 29.762 0.035 0.000 1.453 33 H HN 0.812 nan 8.280 nan 0.000 0.399 34 G N -3.282 105.613 108.800 0.158 0.000 3.514 34 G HA2 0.329 4.289 3.960 -0.000 0.000 0.197 34 G HA3 0.329 4.289 3.960 -0.000 0.000 0.197 34 G C 0.731 175.717 174.900 0.142 0.000 1.098 34 G CA 0.661 45.830 45.100 0.115 0.000 0.884 34 G HN 1.501 nan 8.290 nan 0.000 0.433 35 G N -0.507 108.403 108.800 0.182 0.000 2.331 35 G HA2 0.332 4.292 3.960 -0.000 0.000 0.402 35 G HA3 0.332 4.292 3.960 -0.000 0.000 0.402 35 G C -0.311 174.732 174.900 0.237 0.000 1.275 35 G CA -0.411 44.856 45.100 0.278 0.000 1.003 35 G HN 1.120 nan 8.290 nan 0.000 0.500 36 L N 0.894 122.276 121.223 0.265 0.000 2.601 36 L HA 0.212 4.552 4.340 -0.000 0.000 0.277 36 L C -1.993 174.949 176.870 0.118 0.000 1.219 36 L CA -0.852 54.086 54.840 0.164 0.000 0.915 36 L CB -0.083 42.027 42.059 0.086 0.000 1.160 36 L HN 0.213 nan 8.230 nan 0.000 0.494 37 P HA 0.141 nan 4.420 nan 0.000 0.271 37 P C 0.003 177.342 177.300 0.064 0.000 1.226 37 P CA -0.120 63.022 63.100 0.070 0.000 0.765 37 P CB 0.558 32.294 31.700 0.060 0.000 0.835 38 I N 2.060 122.662 120.570 0.054 0.000 2.948 38 I HA 0.007 4.177 4.170 -0.000 0.000 0.290 38 I C 1.808 177.951 176.117 0.043 0.000 1.226 38 I CA 1.008 62.336 61.300 0.047 0.000 1.413 38 I CB -0.420 37.593 38.000 0.022 0.000 1.352 38 I HN 0.684 nan 8.210 nan 0.000 0.597 39 G N 3.916 112.743 108.800 0.044 0.000 2.228 39 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.270 39 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.270 39 G C 0.436 175.357 174.900 0.036 0.000 0.976 39 G CA 0.176 45.298 45.100 0.036 0.000 0.636 39 G HN 0.655 nan 8.290 nan 0.000 0.542 40 R N 0.060 120.585 120.500 0.041 0.000 2.856 40 R HA 0.659 4.999 4.340 -0.000 0.000 0.258 40 R C 0.186 176.504 176.300 0.030 0.000 1.066 40 R CA 0.017 56.138 56.100 0.035 0.000 1.045 40 R CB 1.454 31.776 30.300 0.036 0.000 1.178 40 R HN 0.440 nan 8.270 nan 0.000 0.499 41 S N -0.144 115.568 115.700 0.020 0.000 2.489 41 S HA 0.391 4.861 4.470 -0.000 0.000 0.291 41 S C -0.369 174.222 174.600 -0.015 0.000 1.151 41 S CA -0.582 57.620 58.200 0.004 0.000 1.082 41 S CB 1.803 65.011 63.200 0.013 0.000 1.019 41 S HN 0.431 nan 8.310 nan 0.000 0.492 42 T N 3.633 118.155 114.554 -0.054 0.000 2.823 42 T HA 0.505 4.854 4.350 -0.000 0.000 0.279 42 T C -0.849 173.791 174.700 -0.101 0.000 0.998 42 T CA -0.480 61.574 62.100 -0.077 0.000 0.994 42 T CB 1.037 69.841 68.868 -0.107 0.000 0.960 42 T HN 0.649 nan 8.240 nan 0.000 0.448 43 L N 4.730 125.897 121.223 -0.094 0.000 2.272 43 L HA 0.639 4.979 4.340 -0.000 0.000 0.289 43 L C -0.999 175.784 176.870 -0.144 0.000 1.032 43 L CA -0.320 54.462 54.840 -0.097 0.000 0.810 43 L CB 1.040 43.058 42.059 -0.069 0.000 1.205 43 L HN 0.426 nan 8.230 nan 0.000 0.422 44 V N 4.820 124.628 119.914 -0.176 0.000 2.305 44 V HA 0.492 4.612 4.120 -0.000 0.000 0.275 44 V C -0.122 175.885 176.094 -0.146 0.000 1.020 44 V CA -0.277 61.879 62.300 -0.239 0.000 0.811 44 V CB 1.036 32.575 31.823 -0.474 0.000 1.031 44 V HN 0.892 nan 8.190 nan 0.000 0.439 45 S N 3.078 118.716 115.700 -0.104 0.000 2.664 45 S HA 1.025 5.495 4.470 -0.000 0.000 0.304 45 S C -0.034 174.536 174.600 -0.051 0.000 1.099 45 S CA -0.091 58.072 58.200 -0.062 0.000 1.003 45 S CB 2.580 65.750 63.200 -0.050 0.000 1.092 45 S HN 1.166 nan 8.310 nan 0.000 0.525 46 G N 0.266 109.048 108.800 -0.030 0.000 2.428 46 G HA2 0.538 4.498 3.960 -0.000 0.000 0.304 46 G HA3 0.538 4.498 3.960 -0.000 0.000 0.304 46 G C -0.586 174.305 174.900 -0.014 0.000 1.303 46 G CA -0.112 44.974 45.100 -0.023 0.000 0.825 46 G HN 1.218 nan 8.290 nan 0.000 0.484 47 T N -1.917 112.629 114.554 -0.013 0.000 2.881 47 T HA 0.585 4.934 4.350 -0.000 0.000 0.278 47 T C 0.945 175.655 174.700 0.017 0.000 0.982 47 T CA 0.570 62.666 62.100 -0.007 0.000 0.989 47 T CB 1.348 70.205 68.868 -0.019 0.000 1.058 47 T HN 1.696 nan 8.240 nan 0.000 0.529 48 S N 0.410 116.120 115.700 0.017 0.000 2.629 48 S HA 0.380 4.850 4.470 -0.000 0.000 0.302 48 S C 1.447 176.071 174.600 0.040 0.000 1.244 48 S CA 0.557 58.776 58.200 0.031 0.000 1.098 48 S CB -1.456 61.759 63.200 0.025 0.000 0.858 48 S HN 2.233 nan 8.310 nan 0.000 0.502 49 G N 3.224 112.061 108.800 0.061 0.000 2.134 49 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.209 49 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.209 49 G C 0.537 175.496 174.900 0.098 0.000 0.993 49 G CA 0.605 45.749 45.100 0.074 0.000 0.669 49 G HN 1.455 nan 8.290 nan 0.000 0.519 50 T N -2.852 111.771 114.554 0.115 0.000 3.060 50 T HA 0.483 4.833 4.350 -0.000 0.000 0.249 50 T C 2.169 177.044 174.700 0.291 0.000 1.079 50 T CA 1.688 63.890 62.100 0.171 0.000 1.013 50 T CB 0.630 69.577 68.868 0.132 0.000 0.975 50 T HN 2.122 nan 8.240 nan 0.000 0.518 51 G N 1.490 110.429 108.800 0.231 0.000 2.238 51 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 51 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 51 G C 0.894 175.911 174.900 0.195 0.000 0.996 51 G CA 0.268 45.512 45.100 0.239 0.000 0.632 51 G HN 0.506 nan 8.290 nan 0.000 0.503 52 K N 0.253 120.745 120.400 0.152 0.000 2.007 52 K HA -0.248 4.072 4.320 -0.000 0.000 0.231 52 K C 2.569 179.277 176.600 0.180 0.000 1.044 52 K CA 2.769 59.123 56.287 0.112 0.000 0.996 52 K CB -0.883 31.658 32.500 0.069 0.000 0.738 52 K HN 0.439 nan 8.250 nan 0.000 0.447 53 T N 1.944 116.604 114.554 0.176 0.000 2.505 53 T HA -0.235 4.115 4.350 -0.000 0.000 0.259 53 T C 1.701 176.526 174.700 0.208 0.000 1.158 53 T CA 1.778 64.010 62.100 0.220 0.000 1.190 53 T CB -0.619 68.371 68.868 0.204 0.000 0.864 53 T HN 0.204 nan 8.240 nan 0.000 0.413 54 L N 0.674 121.994 121.223 0.162 0.000 2.058 54 L HA -0.199 4.141 4.340 -0.000 0.000 0.226 54 L C 2.041 178.931 176.870 0.034 0.000 1.089 54 L CA 1.950 56.831 54.840 0.068 0.000 0.799 54 L CB -1.308 40.784 42.059 0.054 0.000 0.900 54 L HN 0.356 nan 8.230 nan 0.000 0.442 55 F N 0.327 120.250 119.950 -0.045 0.000 2.043 55 F HA -0.362 4.165 4.527 -0.000 0.000 0.297 55 F C 2.838 178.611 175.800 -0.045 0.000 1.121 55 F CA 2.821 60.763 58.000 -0.097 0.000 1.199 55 F CB -0.666 38.258 39.000 -0.126 0.000 0.968 55 F HN 0.391 nan 8.300 nan 0.000 0.478 56 S N 0.880 116.803 115.700 0.372 0.000 2.374 56 S HA -0.260 4.210 4.470 -0.000 0.000 0.227 56 S C 2.024 176.783 174.600 0.265 0.000 1.037 56 S CA 1.574 59.984 58.200 0.350 0.000 1.024 56 S CB -1.136 62.299 63.200 0.391 0.000 0.861 56 S HN 0.370 nan 8.310 nan 0.000 0.456 57 I N 2.408 123.044 120.570 0.111 0.000 2.076 57 I HA -0.184 3.986 4.170 -0.000 0.000 0.237 57 I C 2.943 178.966 176.117 -0.157 0.000 1.059 57 I CA 1.810 63.057 61.300 -0.089 0.000 1.317 57 I CB -1.654 36.268 38.000 -0.129 0.000 1.037 57 I HN 0.480 nan 8.210 nan 0.000 0.398 58 Q N -0.379 119.272 119.800 -0.249 0.000 2.376 58 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 58 Q C 2.124 177.957 176.000 -0.279 0.000 0.986 58 Q CA 1.477 57.031 55.803 -0.414 0.000 0.886 58 Q CB -0.176 28.326 28.738 -0.393 0.000 0.927 58 Q HN 0.415 nan 8.270 nan 0.000 0.457 59 F N 0.160 119.898 119.950 -0.353 0.000 2.053 59 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 59 F C 1.552 177.261 175.800 -0.151 0.000 1.125 59 F CA 1.312 59.143 58.000 -0.283 0.000 1.193 59 F CB -0.555 38.334 39.000 -0.184 0.000 0.996 59 F HN 0.001 nan 8.300 nan 0.000 0.470 60 L N -0.801 120.309 121.223 -0.187 0.000 1.944 60 L HA -0.280 4.059 4.340 -0.000 0.000 0.218 60 L C 2.378 179.101 176.870 -0.245 0.000 1.075 60 L CA 2.110 56.796 54.840 -0.256 0.000 0.767 60 L CB -1.560 40.467 42.059 -0.052 0.000 0.890 60 L HN 0.250 nan 8.230 nan 0.000 0.434 61 Y N 1.629 121.721 120.300 -0.346 0.000 1.888 61 Y HA -0.465 4.085 4.550 -0.000 0.000 0.236 61 Y C 2.556 178.227 175.900 -0.381 0.000 1.145 61 Y CA 2.415 60.265 58.100 -0.417 0.000 1.055 61 Y CB -0.686 37.361 38.460 -0.688 0.000 0.893 61 Y HN 0.243 nan 8.280 nan 0.000 0.506 62 N N -0.057 118.544 118.700 -0.164 0.000 2.111 62 N HA -0.242 4.498 4.740 -0.000 0.000 0.197 62 N C 1.899 177.294 175.510 -0.192 0.000 1.011 62 N CA 1.812 54.752 53.050 -0.183 0.000 0.880 62 N CB -1.162 37.250 38.487 -0.124 0.000 1.031 62 N HN 0.655 nan 8.380 nan 0.000 0.444 63 G N 0.277 108.959 108.800 -0.196 0.000 2.418 63 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 63 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 63 G C 1.594 176.446 174.900 -0.080 0.000 1.158 63 G CA 0.621 45.677 45.100 -0.074 0.000 0.771 63 G HN 0.287 nan 8.290 nan 0.000 0.545 64 I N 0.896 121.326 120.570 -0.234 0.000 2.110 64 I HA -0.094 4.076 4.170 -0.000 0.000 0.236 64 I C 2.256 178.187 176.117 -0.311 0.000 1.068 64 I CA 0.660 61.812 61.300 -0.247 0.000 1.333 64 I CB -0.100 37.723 38.000 -0.296 0.000 1.054 64 I HN 0.043 nan 8.210 nan 0.000 0.402 65 I N 0.441 120.720 120.570 -0.485 0.000 3.241 65 I HA -0.157 4.013 4.170 -0.000 0.000 0.280 65 I C 1.638 177.501 176.117 -0.423 0.000 1.320 65 I CA 1.382 62.401 61.300 -0.468 0.000 1.413 65 I CB -1.176 36.443 38.000 -0.635 0.000 1.060 65 I HN 0.388 nan 8.210 nan 0.000 0.500 66 E N -0.899 118.985 120.200 -0.527 0.000 2.606 66 E HA 0.179 4.529 4.350 -0.000 0.000 0.224 66 E C 0.524 176.330 176.600 -1.324 0.000 0.930 66 E CA 0.241 56.084 56.400 -0.928 0.000 1.125 66 E CB 0.781 29.767 29.700 -1.190 0.000 1.123 66 E HN 0.448 nan 8.360 nan 0.000 0.522 67 F N -0.429 119.439 119.950 -0.136 0.000 3.083 67 F HA 0.161 4.688 4.527 -0.000 0.000 0.355 67 F C 0.195 175.932 175.800 -0.104 0.000 1.194 67 F CA -0.482 57.454 58.000 -0.107 0.000 1.027 67 F CB 0.452 39.389 39.000 -0.104 0.000 1.386 67 F HN -0.179 nan 8.300 nan 0.000 0.513 68 D N 2.221 122.606 120.400 -0.025 0.000 2.737 68 D HA -0.238 4.402 4.640 -0.000 0.000 0.233 68 D C -0.328 175.966 176.300 -0.010 0.000 1.155 68 D CA 0.753 54.728 54.000 -0.042 0.000 0.667 68 D CB -0.497 40.280 40.800 -0.039 0.000 1.060 68 D HN 0.521 nan 8.370 nan 0.000 0.427 69 E N 0.555 120.758 120.200 0.005 0.000 2.001 69 E HA 0.289 4.639 4.350 -0.000 0.000 0.279 69 E C -2.196 174.378 176.600 -0.044 0.000 1.045 69 E CA -1.879 54.513 56.400 -0.014 0.000 0.833 69 E CB 0.963 30.648 29.700 -0.025 0.000 1.077 69 E HN 0.297 nan 8.360 nan 0.000 0.397 70 P HA 0.009 nan 4.420 nan 0.000 0.270 70 P C -0.184 177.106 177.300 -0.017 0.000 1.227 70 P CA -0.061 63.039 63.100 0.000 0.000 0.788 70 P CB 0.692 32.432 31.700 0.066 0.000 0.926 71 G N -0.588 108.202 108.800 -0.016 0.000 2.659 71 G HA2 0.556 4.516 3.960 -0.000 0.000 0.296 71 G HA3 0.556 4.516 3.960 -0.000 0.000 0.296 71 G C -1.656 173.243 174.900 -0.001 0.000 1.369 71 G CA -0.525 44.565 45.100 -0.018 0.000 0.937 71 G HN 0.325 nan 8.290 nan 0.000 0.485 72 V N 0.992 120.915 119.914 0.016 0.000 2.435 72 V HA 0.579 4.699 4.120 -0.000 0.000 0.290 72 V C -1.102 175.013 176.094 0.035 0.000 1.030 72 V CA -0.686 61.603 62.300 -0.018 0.000 0.881 72 V CB 1.383 33.193 31.823 -0.022 0.000 0.983 72 V HN 0.617 nan 8.190 nan 0.000 0.445 73 F N 5.241 125.072 119.950 -0.198 0.000 2.445 73 F HA 0.660 5.187 4.527 -0.000 0.000 0.348 73 F C -0.326 175.318 175.800 -0.259 0.000 1.125 73 F CA -0.739 57.164 58.000 -0.162 0.000 0.983 73 F CB 1.576 40.503 39.000 -0.122 0.000 1.198 73 F HN 0.271 nan 8.300 nan 0.000 0.436 74 V N 5.095 124.573 119.914 -0.727 0.000 2.294 74 V HA 0.283 4.403 4.120 -0.000 0.000 0.272 74 V C 0.181 175.736 176.094 -0.898 0.000 1.027 74 V CA -0.550 61.319 62.300 -0.718 0.000 0.823 74 V CB 0.874 32.367 31.823 -0.550 0.000 1.030 74 V HN 0.784 nan 8.190 nan 0.000 0.457 75 T N 4.411 118.517 114.554 -0.747 0.000 2.744 75 T HA 0.507 4.857 4.350 -0.000 0.000 0.291 75 T C 0.349 174.774 174.700 -0.459 0.000 0.957 75 T CA -0.158 61.641 62.100 -0.503 0.000 1.002 75 T CB 0.226 68.996 68.868 -0.163 0.000 0.919 75 T HN 0.427 nan 8.240 nan 0.000 0.468 76 F N 2.788 122.647 119.950 -0.151 0.000 2.727 76 F HA 0.365 4.892 4.527 -0.000 0.000 0.302 76 F C 1.959 177.713 175.800 -0.077 0.000 1.097 76 F CA -0.225 57.703 58.000 -0.119 0.000 1.330 76 F CB 0.562 39.475 39.000 -0.146 0.000 1.084 76 F HN 0.604 nan 8.300 nan 0.000 0.578 77 E N -0.631 119.621 120.200 0.087 0.000 3.454 77 E HA 0.088 4.438 4.350 -0.000 0.000 0.208 77 E C 0.178 176.808 176.600 0.050 0.000 1.153 77 E CA -0.110 56.330 56.400 0.066 0.000 1.553 77 E CB 0.337 30.078 29.700 0.070 0.000 1.423 77 E HN 0.138 nan 8.360 nan 0.000 0.662 78 E N 1.462 121.701 120.200 0.066 0.000 2.392 78 E HA 0.063 4.413 4.350 -0.000 0.000 0.264 78 E C -0.535 176.103 176.600 0.064 0.000 1.024 78 E CA 0.212 56.658 56.400 0.077 0.000 0.903 78 E CB 1.305 31.078 29.700 0.122 0.000 0.963 78 E HN -0.039 nan 8.360 nan 0.000 0.432 79 T N 2.803 117.389 114.554 0.054 0.000 2.909 79 T HA 0.129 4.479 4.350 -0.000 0.000 0.289 79 T C -1.776 172.957 174.700 0.056 0.000 1.005 79 T CA -2.203 59.922 62.100 0.042 0.000 1.084 79 T CB 0.867 69.754 68.868 0.032 0.000 0.975 79 T HN 0.182 nan 8.240 nan 0.000 0.509 80 P HA -0.197 nan 4.420 nan 0.000 0.215 80 P C 1.772 179.100 177.300 0.048 0.000 1.163 80 P CA 1.253 64.386 63.100 0.055 0.000 0.894 80 P CB 0.091 31.817 31.700 0.045 0.000 0.791 81 Q N -0.539 119.286 119.800 0.041 0.000 2.152 81 Q HA -0.213 4.127 4.340 -0.000 0.000 0.206 81 Q C 1.453 177.473 176.000 0.033 0.000 0.985 81 Q CA 1.644 57.469 55.803 0.036 0.000 0.863 81 Q CB -1.488 27.268 28.738 0.031 0.000 0.904 81 Q HN 0.350 nan 8.270 nan 0.000 0.422 82 D N 0.781 121.204 120.400 0.038 0.000 2.137 82 D HA 0.061 4.701 4.640 -0.000 0.000 0.202 82 D C 2.209 178.535 176.300 0.044 0.000 0.970 82 D CA 0.438 54.461 54.000 0.038 0.000 0.837 82 D CB -0.077 40.748 40.800 0.042 0.000 0.981 82 D HN 0.248 nan 8.370 nan 0.000 0.475 83 I N 0.945 121.548 120.570 0.055 0.000 2.335 83 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 83 I C 2.289 178.412 176.117 0.009 0.000 1.129 83 I CA 0.781 62.102 61.300 0.035 0.000 1.402 83 I CB -0.145 37.870 38.000 0.025 0.000 1.069 83 I HN -0.012 nan 8.210 nan 0.000 0.424 84 I N 0.393 120.975 120.570 0.020 0.000 2.141 84 I HA -0.247 3.923 4.170 -0.000 0.000 0.236 84 I C 2.618 178.756 176.117 0.035 0.000 1.071 84 I CA 0.971 62.290 61.300 0.032 0.000 1.345 84 I CB -0.445 37.577 38.000 0.037 0.000 1.066 84 I HN 0.072 nan 8.210 nan 0.000 0.406 85 K N 1.745 122.159 120.400 0.023 0.000 2.090 85 K HA -0.281 4.039 4.320 -0.000 0.000 0.218 85 K C 1.774 178.367 176.600 -0.013 0.000 1.055 85 K CA 2.169 58.459 56.287 0.005 0.000 0.941 85 K CB -0.372 32.131 32.500 0.004 0.000 0.722 85 K HN 0.268 nan 8.250 nan 0.000 0.458 86 N N 0.106 118.808 118.700 0.003 0.000 2.022 86 N HA -0.143 4.596 4.740 -0.000 0.000 0.194 86 N C 1.760 177.261 175.510 -0.014 0.000 1.057 86 N CA 1.787 54.830 53.050 -0.011 0.000 0.849 86 N CB -1.050 37.465 38.487 0.047 0.000 1.044 86 N HN 0.362 nan 8.380 nan 0.000 0.424 87 A N 1.745 124.632 122.820 0.112 0.000 2.038 87 A HA -0.246 4.074 4.320 -0.000 0.000 0.224 87 A C 1.978 179.603 177.584 0.068 0.000 1.190 87 A CA 1.678 53.868 52.037 0.254 0.000 0.668 87 A CB -0.791 18.378 19.000 0.282 0.000 0.820 87 A HN 0.379 nan 8.150 nan 0.000 0.474 88 R N -0.423 120.058 120.500 -0.031 0.000 2.377 88 R HA -0.029 4.311 4.340 -0.000 0.000 0.207 88 R C 1.996 178.119 176.300 -0.295 0.000 1.075 88 R CA 0.829 56.865 56.100 -0.107 0.000 1.035 88 R CB -0.345 29.916 30.300 -0.064 0.000 0.857 88 R HN 0.537 nan 8.270 nan 0.000 0.475 89 S N -0.238 115.164 115.700 -0.496 0.000 2.527 89 S HA 0.015 4.485 4.470 -0.000 0.000 0.222 89 S C 0.665 174.550 174.600 -1.191 0.000 0.985 89 S CA 0.473 58.170 58.200 -0.838 0.000 0.921 89 S CB 0.183 62.745 63.200 -1.062 0.000 0.772 89 S HN 0.305 nan 8.310 nan 0.000 0.529 90 F N 0.440 119.909 119.950 -0.801 0.000 2.724 90 F HA 0.452 4.979 4.527 -0.000 0.000 0.310 90 F C 1.379 176.462 175.800 -1.196 0.000 1.107 90 F CA -0.145 57.108 58.000 -1.245 0.000 1.218 90 F CB 0.389 37.959 39.000 -2.385 0.000 1.042 90 F HN 0.145 nan 8.300 nan 0.000 0.540 91 G N 0.029 108.497 108.800 -0.554 0.000 2.225 91 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 91 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 91 G C -0.683 174.257 174.900 0.066 0.000 1.060 91 G CA -0.489 44.487 45.100 -0.207 0.000 0.833 91 G HN 0.238 nan 8.290 nan 0.000 0.498 92 W N 0.506 121.797 121.300 -0.015 0.000 2.336 92 W HA 0.537 5.196 4.660 -0.000 0.000 0.315 92 W C -0.270 176.280 176.519 0.051 0.000 1.016 92 W CA -2.189 55.144 57.345 -0.020 0.000 1.318 92 W CB 0.954 30.248 29.460 -0.275 0.000 1.247 92 W HN 0.252 nan 8.180 nan 0.000 0.414 93 D N 3.545 124.124 120.400 0.298 0.000 2.508 93 D HA 0.120 4.760 4.640 -0.000 0.000 0.224 93 D C 1.222 177.628 176.300 0.177 0.000 1.171 93 D CA 0.185 54.296 54.000 0.184 0.000 1.006 93 D CB 0.380 41.260 40.800 0.133 0.000 1.073 93 D HN 0.272 nan 8.370 nan 0.000 0.513 94 L N 2.493 123.816 121.223 0.167 0.000 1.990 94 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 94 L C 2.502 179.423 176.870 0.086 0.000 1.072 94 L CA 1.429 56.342 54.840 0.121 0.000 0.755 94 L CB -0.732 41.371 42.059 0.074 0.000 0.889 94 L HN 0.448 nan 8.230 nan 0.000 0.432 95 A N 0.246 123.112 122.820 0.076 0.000 1.969 95 A HA -0.378 3.941 4.320 -0.000 0.000 0.223 95 A C 2.378 180.001 177.584 0.065 0.000 1.218 95 A CA 2.714 54.790 52.037 0.066 0.000 0.667 95 A CB -0.726 18.309 19.000 0.058 0.000 0.826 95 A HN 0.456 nan 8.150 nan 0.000 0.472 96 K N -0.451 119.988 120.400 0.065 0.000 2.057 96 K HA -0.041 4.278 4.320 -0.000 0.000 0.207 96 K C 1.809 178.434 176.600 0.043 0.000 1.049 96 K CA 1.452 57.770 56.287 0.051 0.000 0.931 96 K CB -0.316 32.215 32.500 0.051 0.000 0.714 96 K HN 0.527 nan 8.250 nan 0.000 0.440 97 L N 0.874 122.121 121.223 0.040 0.000 2.362 97 L HA -0.110 4.229 4.340 -0.000 0.000 0.219 97 L C 2.029 178.934 176.870 0.058 0.000 1.134 97 L CA 0.393 55.245 54.840 0.021 0.000 0.807 97 L CB -0.148 41.905 42.059 -0.010 0.000 0.927 97 L HN 0.063 nan 8.230 nan 0.000 0.447 98 V N -1.161 118.800 119.914 0.079 0.000 2.725 98 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 98 V C 1.772 177.936 176.094 0.117 0.000 1.058 98 V CA 1.174 63.546 62.300 0.121 0.000 1.080 98 V CB -0.155 31.743 31.823 0.125 0.000 0.713 98 V HN 0.277 nan 8.190 nan 0.000 0.465 99 D N 0.750 121.198 120.400 0.079 0.000 2.117 99 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 99 D C 1.978 178.307 176.300 0.048 0.000 0.982 99 D CA 1.043 55.078 54.000 0.059 0.000 0.828 99 D CB -0.075 40.750 40.800 0.042 0.000 0.967 99 D HN 0.507 nan 8.370 nan 0.000 0.464 100 E N -0.157 120.069 120.200 0.044 0.000 2.485 100 E HA 0.137 4.487 4.350 -0.000 0.000 0.194 100 E C 1.105 177.733 176.600 0.046 0.000 1.098 100 E CA 0.291 56.707 56.400 0.027 0.000 0.878 100 E CB 0.019 29.724 29.700 0.008 0.000 0.939 100 E HN 0.267 nan 8.360 nan 0.000 0.503 101 G N 2.339 111.200 108.800 0.102 0.000 2.269 101 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.277 101 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.277 101 G C 1.032 176.080 174.900 0.247 0.000 1.008 101 G CA 0.703 45.923 45.100 0.200 0.000 0.774 101 G HN 0.139 nan 8.290 nan 0.000 0.511 102 K N -1.428 119.055 120.400 0.138 0.000 2.323 102 K HA 0.312 4.632 4.320 -0.000 0.000 0.197 102 K C 0.701 177.340 176.600 0.065 0.000 1.043 102 K CA 0.310 56.645 56.287 0.080 0.000 0.997 102 K CB 0.409 32.907 32.500 -0.003 0.000 0.807 102 K HN 0.583 nan 8.250 nan 0.000 0.497 103 L N 0.257 121.526 121.223 0.077 0.000 2.438 103 L HA 0.429 4.768 4.340 -0.000 0.000 0.270 103 L C -1.717 175.192 176.870 0.065 0.000 0.972 103 L CA -0.825 54.036 54.840 0.035 0.000 0.831 103 L CB 1.539 43.604 42.059 0.010 0.000 1.273 103 L HN -0.136 nan 8.230 nan 0.000 0.405 104 F N 6.629 126.430 119.950 -0.248 0.000 2.427 104 F HA 0.577 5.104 4.527 -0.000 0.000 0.348 104 F C -0.734 174.991 175.800 -0.125 0.000 1.125 104 F CA -1.404 56.399 58.000 -0.328 0.000 0.989 104 F CB 0.926 39.406 39.000 -0.866 0.000 1.165 104 F HN 0.369 nan 8.300 nan 0.000 0.442 105 I N 8.000 128.448 120.570 -0.204 0.000 2.278 105 I HA 0.064 4.234 4.170 -0.000 0.000 0.296 105 I C -0.424 175.248 176.117 -0.741 0.000 1.121 105 I CA -0.694 60.433 61.300 -0.287 0.000 1.267 105 I CB 0.691 38.682 38.000 -0.014 0.000 1.447 105 I HN 0.415 nan 8.210 nan 0.000 0.509 106 L N 7.403 128.014 121.223 -1.019 0.000 2.404 106 L HA 0.230 4.570 4.340 -0.000 0.000 0.277 106 L C 0.281 176.881 176.870 -0.451 0.000 1.184 106 L CA 0.043 54.331 54.840 -0.919 0.000 1.013 106 L CB -0.215 41.377 42.059 -0.779 0.000 1.318 106 L HN 0.384 nan 8.230 nan 0.000 0.435 107 D N 3.953 124.191 120.400 -0.271 0.000 2.487 107 D HA 0.125 4.765 4.640 -0.000 0.000 0.243 107 D C 0.410 176.587 176.300 -0.206 0.000 1.154 107 D CA 0.862 54.755 54.000 -0.178 0.000 0.876 107 D CB 1.459 42.218 40.800 -0.069 0.000 1.161 107 D HN 0.713 nan 8.370 nan 0.000 0.478 108 A N 2.948 125.606 122.820 -0.269 0.000 2.600 108 A HA 0.171 4.491 4.320 -0.000 0.000 0.252 108 A C 0.753 178.280 177.584 -0.095 0.000 1.200 108 A CA 0.070 51.947 52.037 -0.265 0.000 0.981 108 A CB -0.150 18.440 19.000 -0.684 0.000 1.207 108 A HN 0.539 nan 8.150 nan 0.000 0.577 109 S N 0.689 116.347 115.700 -0.070 0.000 2.589 109 S HA 0.521 4.991 4.470 -0.000 0.000 0.265 109 S C -2.615 171.992 174.600 0.012 0.000 1.342 109 S CA -0.590 57.612 58.200 0.004 0.000 1.005 109 S CB 0.152 63.351 63.200 -0.000 0.000 0.909 109 S HN 0.159 nan 8.310 nan 0.000 0.555 110 P HA 0.578 nan 4.420 nan 0.000 0.287 110 P C -1.288 176.015 177.300 0.004 0.000 1.279 110 P CA -0.635 62.469 63.100 0.008 0.000 0.867 110 P CB 0.645 32.344 31.700 -0.001 0.000 1.127 111 D N 0.642 121.044 120.400 0.002 0.000 2.229 111 D HA 0.244 4.884 4.640 -0.000 0.000 0.249 111 D C -1.435 174.866 176.300 0.001 0.000 1.027 111 D CA -1.358 52.644 54.000 0.003 0.000 0.923 111 D CB 0.006 40.809 40.800 0.005 0.000 1.174 111 D HN 0.153 nan 8.370 nan 0.000 0.443 112 P HA -0.123 nan 4.420 nan 0.000 0.224 112 P C -0.326 176.974 177.300 0.000 0.000 1.138 112 P CA 1.196 64.297 63.100 0.002 0.000 0.780 112 P CB 0.303 32.005 31.700 0.004 0.000 0.755 113 E N -1.693 118.506 120.200 -0.001 0.000 2.416 113 E HA 0.685 5.035 4.350 -0.000 0.000 0.273 113 E C 0.240 176.837 176.600 -0.005 0.000 0.935 113 E CA -0.448 55.951 56.400 -0.002 0.000 0.784 113 E CB 2.445 32.145 29.700 0.001 0.000 1.301 113 E HN 0.020 nan 8.360 nan 0.000 0.454 114 G N 0.400 109.196 108.800 -0.007 0.000 2.360 114 G HA2 0.217 4.177 3.960 -0.000 0.000 0.276 114 G HA3 0.217 4.177 3.960 -0.000 0.000 0.276 114 G C -1.086 173.807 174.900 -0.012 0.000 1.256 114 G CA 0.025 45.118 45.100 -0.011 0.000 0.890 114 G HN 0.463 nan 8.290 nan 0.000 0.486 115 Q N -1.488 118.300 119.800 -0.020 0.000 3.243 115 Q HA 0.879 5.219 4.340 -0.000 0.000 0.257 115 Q C -0.210 175.773 176.000 -0.027 0.000 1.069 115 Q CA -0.662 55.129 55.803 -0.021 0.000 0.650 115 Q CB 1.901 30.624 28.738 -0.025 0.000 3.605 115 Q HN 0.636 nan 8.270 nan 0.000 0.336 116 E N -1.638 118.543 120.200 -0.031 0.000 2.281 116 E HA 0.298 4.648 4.350 -0.000 0.000 0.255 116 E C -1.066 175.508 176.600 -0.042 0.000 1.229 116 E CA -0.186 56.208 56.400 -0.011 0.000 0.908 116 E CB 1.907 31.644 29.700 0.062 0.000 1.670 116 E HN 0.435 nan 8.360 nan 0.000 0.480 117 V N -0.560 119.392 119.914 0.063 0.000 4.032 117 V HA -0.210 3.910 4.120 -0.000 0.000 0.231 117 V C -0.250 175.577 176.094 -0.445 0.000 0.429 117 V CA 1.146 63.401 62.300 -0.075 0.000 0.934 117 V CB -1.988 29.759 31.823 -0.126 0.000 1.004 117 V HN 0.358 nan 8.190 nan 0.000 1.283 118 V N 0.482 120.197 119.914 -0.331 0.000 2.370 118 V HA 0.565 4.685 4.120 -0.000 0.000 0.279 118 V C 1.640 177.645 176.094 -0.149 0.000 1.280 118 V CA 0.465 62.429 62.300 -0.561 0.000 1.392 118 V CB 0.304 31.969 31.823 -0.263 0.000 1.464 118 V HN 0.530 nan 8.190 nan 0.000 0.525 119 G N 2.250 111.071 108.800 0.036 0.000 2.632 119 G HA2 0.063 4.023 3.960 -0.000 0.000 0.183 119 G HA3 0.063 4.023 3.960 -0.000 0.000 0.183 119 G C 1.419 176.513 174.900 0.325 0.000 1.592 119 G CA 0.614 45.895 45.100 0.302 0.000 0.880 119 G HN 0.650 nan 8.290 nan 0.000 0.399 120 G N -0.616 108.414 108.800 0.383 0.000 2.776 120 G HA2 0.066 4.025 3.960 -0.000 0.000 0.209 120 G HA3 0.066 4.025 3.960 -0.000 0.000 0.209 120 G C 1.402 176.466 174.900 0.273 0.000 1.145 120 G CA 0.219 45.472 45.100 0.256 0.000 0.791 120 G HN 0.248 nan 8.290 nan 0.000 0.530 121 F N 1.474 121.457 119.950 0.055 0.000 2.115 121 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 121 F C 2.231 178.054 175.800 0.038 0.000 1.092 121 F CA 1.281 59.307 58.000 0.044 0.000 1.245 121 F CB -0.159 38.868 39.000 0.046 0.000 0.995 121 F HN 0.168 nan 8.300 nan 0.000 0.481 122 D N -0.736 119.812 120.400 0.247 0.000 2.305 122 D HA -0.030 4.610 4.640 -0.000 0.000 0.206 122 D C 2.406 178.773 176.300 0.112 0.000 0.974 122 D CA 0.197 54.283 54.000 0.143 0.000 0.871 122 D CB -0.070 40.794 40.800 0.106 0.000 0.947 122 D HN 0.129 nan 8.370 nan 0.000 0.516 123 L N 1.614 122.903 121.223 0.111 0.000 2.353 123 L HA -0.089 4.251 4.340 -0.000 0.000 0.220 123 L C 1.928 178.844 176.870 0.078 0.000 1.133 123 L CA 1.274 56.166 54.840 0.087 0.000 0.798 123 L CB -0.589 41.522 42.059 0.087 0.000 0.922 123 L HN -0.018 nan 8.230 nan 0.000 0.445 124 S N -1.874 113.870 115.700 0.074 0.000 2.470 124 S HA 0.120 4.590 4.470 -0.000 0.000 0.222 124 S C 1.993 176.623 174.600 0.051 0.000 1.024 124 S CA 0.368 58.598 58.200 0.050 0.000 0.931 124 S CB 0.118 63.335 63.200 0.028 0.000 0.791 124 S HN 0.323 nan 8.310 nan 0.000 0.513 125 A N 1.868 124.725 122.820 0.062 0.000 1.878 125 A HA 0.299 4.619 4.320 -0.000 0.000 0.213 125 A C 2.088 179.705 177.584 0.055 0.000 1.192 125 A CA 0.862 52.931 52.037 0.053 0.000 0.619 125 A CB -0.863 18.172 19.000 0.058 0.000 0.837 125 A HN 0.400 nan 8.150 nan 0.000 0.446 126 L N 0.465 121.729 121.223 0.069 0.000 1.971 126 L HA -0.172 4.168 4.340 -0.000 0.000 0.215 126 L C 2.211 179.122 176.870 0.068 0.000 1.072 126 L CA 1.941 56.824 54.840 0.072 0.000 0.758 126 L CB -0.466 41.662 42.059 0.115 0.000 0.889 126 L HN 0.449 nan 8.230 nan 0.000 0.433 127 I N -0.872 119.740 120.570 0.069 0.000 2.761 127 I HA -0.280 3.890 4.170 -0.000 0.000 0.266 127 I C 1.958 178.114 176.117 0.066 0.000 1.239 127 I CA 0.884 62.220 61.300 0.061 0.000 1.451 127 I CB -0.242 37.786 38.000 0.048 0.000 1.096 127 I HN 0.380 nan 8.210 nan 0.000 0.465 128 E N 0.317 120.558 120.200 0.068 0.000 2.201 128 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 128 E C 2.126 178.792 176.600 0.110 0.000 0.957 128 E CA 0.399 56.845 56.400 0.076 0.000 0.858 128 E CB 0.171 29.901 29.700 0.050 0.000 0.816 128 E HN 0.271 nan 8.360 nan 0.000 0.475 129 R N -0.057 120.498 120.500 0.091 0.000 2.148 129 R HA 0.100 4.440 4.340 -0.000 0.000 0.223 129 R C 1.957 178.393 176.300 0.226 0.000 1.088 129 R CA 0.815 56.986 56.100 0.119 0.000 0.985 129 R CB -0.058 30.282 30.300 0.066 0.000 0.880 129 R HN 0.193 nan 8.270 nan 0.000 0.451 130 I N 0.662 121.322 120.570 0.149 0.000 2.235 130 I HA -0.191 3.979 4.170 -0.000 0.000 0.241 130 I C 2.061 178.270 176.117 0.153 0.000 1.085 130 I CA 0.913 62.290 61.300 0.129 0.000 1.378 130 I CB -0.291 37.744 38.000 0.059 0.000 1.076 130 I HN 0.119 nan 8.210 nan 0.000 0.415 131 N N 0.722 119.502 118.700 0.133 0.000 2.272 131 N HA -0.289 4.451 4.740 -0.000 0.000 0.185 131 N C 1.843 177.444 175.510 0.151 0.000 1.014 131 N CA 1.439 54.558 53.050 0.115 0.000 0.870 131 N CB -0.315 38.228 38.487 0.095 0.000 0.975 131 N HN 0.351 nan 8.380 nan 0.000 0.433 132 Y N 0.689 121.040 120.300 0.084 0.000 2.049 132 Y HA -0.139 4.411 4.550 -0.000 0.000 0.277 132 Y C 2.309 178.295 175.900 0.144 0.000 1.143 132 Y CA 2.262 60.421 58.100 0.097 0.000 1.115 132 Y CB -0.984 37.536 38.460 0.100 0.000 0.975 132 Y HN 0.129 nan 8.280 nan 0.000 0.487 133 A N 0.236 123.179 122.820 0.204 0.000 1.972 133 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 133 A C 2.289 179.969 177.584 0.161 0.000 1.169 133 A CA 1.770 53.928 52.037 0.203 0.000 0.635 133 A CB -1.120 18.181 19.000 0.502 0.000 0.810 133 A HN 0.605 nan 8.150 nan 0.000 0.446 134 I N -1.058 119.578 120.570 0.110 0.000 2.060 134 I HA -0.309 3.861 4.170 -0.000 0.000 0.233 134 I C 2.785 178.936 176.117 0.057 0.000 1.054 134 I CA 1.650 62.999 61.300 0.082 0.000 1.318 134 I CB -0.821 37.216 38.000 0.063 0.000 1.054 134 I HN 0.398 nan 8.210 nan 0.000 0.395 135 Q N 0.839 120.649 119.800 0.016 0.000 2.012 135 Q HA -0.351 3.989 4.340 -0.000 0.000 0.211 135 Q C 2.293 178.257 176.000 -0.061 0.000 1.009 135 Q CA 2.557 58.347 55.803 -0.021 0.000 0.866 135 Q CB -0.313 28.406 28.738 -0.032 0.000 0.945 135 Q HN 0.324 nan 8.270 nan 0.000 0.414 136 K N -0.387 119.925 120.400 -0.147 0.000 2.089 136 K HA -0.213 4.107 4.320 -0.000 0.000 0.210 136 K C 1.116 177.596 176.600 -0.200 0.000 1.048 136 K CA 1.719 57.857 56.287 -0.248 0.000 0.926 136 K CB -0.104 32.095 32.500 -0.502 0.000 0.714 136 K HN 0.230 nan 8.250 nan 0.000 0.448 137 Y N 0.285 120.496 120.300 -0.148 0.000 2.524 137 Y HA 0.291 4.840 4.550 -0.000 0.000 0.266 137 Y C -0.211 175.656 175.900 -0.055 0.000 1.180 137 Y CA -0.235 57.812 58.100 -0.088 0.000 1.244 137 Y CB 0.361 38.797 38.460 -0.040 0.000 1.125 137 Y HN 0.007 nan 8.280 nan 0.000 0.524 138 R N 0.043 120.579 120.500 0.061 0.000 3.322 138 R HA -0.193 4.147 4.340 -0.000 0.000 0.253 138 R C 0.144 176.474 176.300 0.050 0.000 0.987 138 R CA 0.356 56.474 56.100 0.030 0.000 0.666 138 R CB -1.589 28.711 30.300 0.001 0.000 1.072 138 R HN 0.307 nan 8.270 nan 0.000 0.447 139 A N 0.559 123.421 122.820 0.071 0.000 2.407 139 A HA 0.413 4.733 4.320 -0.000 0.000 0.248 139 A C 1.043 178.643 177.584 0.026 0.000 1.082 139 A CA -0.250 51.818 52.037 0.053 0.000 0.785 139 A CB 0.488 19.524 19.000 0.060 0.000 1.020 139 A HN 0.358 nan 8.150 nan 0.000 0.489 140 R N 0.341 120.846 120.500 0.007 0.000 2.435 140 R HA 0.171 4.511 4.340 -0.000 0.000 0.221 140 R C -0.054 176.248 176.300 0.003 0.000 0.885 140 R CA 0.494 56.592 56.100 -0.003 0.000 1.018 140 R CB 0.276 30.559 30.300 -0.028 0.000 1.259 140 R HN 0.760 nan 8.270 nan 0.000 0.597 141 R N 0.723 121.216 120.500 -0.013 0.000 2.599 141 R HA 0.641 4.981 4.340 -0.000 0.000 0.295 141 R C -0.992 175.358 176.300 0.082 0.000 0.963 141 R CA -0.623 55.487 56.100 0.016 0.000 0.883 141 R CB 2.871 33.034 30.300 -0.228 0.000 1.171 141 R HN -0.240 nan 8.270 nan 0.000 0.450 142 V N 1.017 121.042 119.914 0.185 0.000 2.841 142 V HA 0.460 4.580 4.120 -0.000 0.000 0.310 142 V C -0.627 175.591 176.094 0.206 0.000 1.090 142 V CA -0.834 61.552 62.300 0.142 0.000 0.930 142 V CB 2.373 34.240 31.823 0.074 0.000 1.014 142 V HN 0.760 nan 8.190 nan 0.000 0.425 143 S N 4.288 120.081 115.700 0.155 0.000 2.707 143 S HA 0.653 5.123 4.470 -0.000 0.000 0.303 143 S C -0.604 173.926 174.600 -0.116 0.000 1.132 143 S CA -0.371 57.907 58.200 0.130 0.000 1.046 143 S CB 1.031 64.448 63.200 0.362 0.000 1.004 143 S HN 0.559 nan 8.310 nan 0.000 0.483 144 I N 2.716 123.232 120.570 -0.092 0.000 2.312 144 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 144 I C -0.314 175.746 176.117 -0.096 0.000 1.008 144 I CA -0.628 60.591 61.300 -0.134 0.000 1.226 144 I CB 1.012 39.024 38.000 0.020 0.000 1.371 144 I HN 0.441 nan 8.210 nan 0.000 0.468 145 D N 5.851 126.120 120.400 -0.220 0.000 2.295 145 D HA 0.124 4.764 4.640 -0.000 0.000 0.248 145 D C 0.506 176.861 176.300 0.092 0.000 1.154 145 D CA 0.204 54.162 54.000 -0.070 0.000 0.857 145 D CB 0.841 41.557 40.800 -0.139 0.000 1.117 145 D HN 0.669 nan 8.370 nan 0.000 0.468 146 S N 1.814 117.558 115.700 0.074 0.000 3.436 146 S HA -0.217 4.252 4.470 -0.000 0.000 0.393 146 S C 1.129 175.720 174.600 -0.015 0.000 0.914 146 S CA 0.557 58.789 58.200 0.054 0.000 1.317 146 S CB -2.514 60.722 63.200 0.060 0.000 0.920 146 S HN 0.956 nan 8.310 nan 0.000 0.564 147 V N -0.635 119.240 119.914 -0.065 0.000 2.867 147 V HA -0.095 4.025 4.120 -0.000 0.000 0.260 147 V C 2.288 178.034 176.094 -0.581 0.000 1.099 147 V CA 2.028 64.102 62.300 -0.377 0.000 1.122 147 V CB -1.547 30.179 31.823 -0.161 0.000 0.708 147 V HN 0.787 nan 8.190 nan 0.000 0.490 148 T N 2.239 116.705 114.554 -0.148 0.000 2.708 148 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 148 T C 1.997 176.639 174.700 -0.097 0.000 1.037 148 T CA 2.263 64.429 62.100 0.110 0.000 1.146 148 T CB -0.635 68.374 68.868 0.235 0.000 0.865 148 T HN 0.905 nan 8.240 nan 0.000 0.435 149 S N 1.019 116.639 115.700 -0.134 0.000 2.559 149 S HA -0.057 4.413 4.470 -0.000 0.000 0.250 149 S C 1.855 176.298 174.600 -0.262 0.000 0.977 149 S CA 0.605 58.734 58.200 -0.119 0.000 0.958 149 S CB -0.743 62.427 63.200 -0.050 0.000 0.751 149 S HN 0.300 nan 8.310 nan 0.000 0.534 150 V N 1.392 120.954 119.914 -0.586 0.000 2.326 150 V HA 0.091 4.211 4.120 -0.000 0.000 0.237 150 V C 1.540 177.367 176.094 -0.445 0.000 1.044 150 V CA 1.022 62.921 62.300 -0.668 0.000 1.035 150 V CB -0.621 30.536 31.823 -1.111 0.000 0.675 150 V HN 0.579 nan 8.190 nan 0.000 0.470 151 F N 0.131 119.972 119.950 -0.182 0.000 2.788 151 F HA 0.230 4.757 4.527 -0.000 0.000 0.300 151 F C 1.690 177.427 175.800 -0.105 0.000 1.229 151 F CA -0.033 57.879 58.000 -0.148 0.000 1.446 151 F CB -1.198 37.692 39.000 -0.183 0.000 1.118 151 F HN 0.165 nan 8.300 nan 0.000 0.579 152 Q N 1.031 120.887 119.800 0.093 0.000 2.239 152 Q HA 0.056 4.396 4.340 -0.000 0.000 0.219 152 Q C 1.187 177.175 176.000 -0.021 0.000 0.901 152 Q CA 0.269 56.139 55.803 0.112 0.000 0.949 152 Q CB 0.042 28.838 28.738 0.095 0.000 1.038 152 Q HN 0.670 nan 8.270 nan 0.000 0.458 153 Q N -0.427 119.292 119.800 -0.135 0.000 2.324 153 Q HA -0.019 4.321 4.340 -0.000 0.000 0.207 153 Q C -0.480 175.281 176.000 -0.398 0.000 0.928 153 Q CA 0.590 56.145 55.803 -0.414 0.000 0.890 153 Q CB 0.775 29.058 28.738 -0.758 0.000 1.001 153 Q HN 0.411 nan 8.270 nan 0.000 0.517 154 Y N -1.818 118.505 120.300 0.039 0.000 3.227 154 Y HA 0.313 4.862 4.550 -0.000 0.000 0.221 154 Y C -1.712 174.195 175.900 0.012 0.000 0.694 154 Y CA -1.340 56.776 58.100 0.027 0.000 1.204 154 Y CB -1.354 37.114 38.460 0.013 0.000 1.104 154 Y HN -0.170 nan 8.280 nan 0.000 0.511 155 D N 1.065 121.598 120.400 0.223 0.000 2.493 155 D HA 0.863 5.503 4.640 -0.000 0.000 0.239 155 D C -0.495 175.772 176.300 -0.056 0.000 1.049 155 D CA -0.437 53.608 54.000 0.074 0.000 1.008 155 D CB 2.824 43.639 40.800 0.026 0.000 1.398 155 D HN 0.468 nan 8.370 nan 0.000 0.513 156 A N -0.136 122.622 122.820 -0.103 0.000 2.346 156 A HA 0.511 4.831 4.320 -0.000 0.000 0.313 156 A C 1.195 178.660 177.584 -0.198 0.000 1.140 156 A CA 0.014 51.990 52.037 -0.101 0.000 0.826 156 A CB 1.152 20.129 19.000 -0.037 0.000 1.332 156 A HN 0.556 nan 8.150 nan 0.000 0.457 157 S N 1.109 116.737 115.700 -0.119 0.000 2.434 157 S HA -0.323 4.147 4.470 -0.000 0.000 0.240 157 S C 2.029 176.540 174.600 -0.147 0.000 1.052 157 S CA 2.804 60.935 58.200 -0.115 0.000 1.198 157 S CB -1.637 61.559 63.200 -0.007 0.000 1.124 157 S HN 1.954 nan 8.310 nan 0.000 0.426 158 S N 1.879 117.523 115.700 -0.093 0.000 2.407 158 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 158 S C 1.848 176.391 174.600 -0.095 0.000 1.036 158 S CA 1.453 59.604 58.200 -0.083 0.000 1.013 158 S CB -1.321 61.843 63.200 -0.059 0.000 0.820 158 S HN 0.499 nan 8.310 nan 0.000 0.476 159 V N 1.411 121.255 119.914 -0.116 0.000 2.379 159 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 159 V C 2.648 178.649 176.094 -0.154 0.000 1.044 159 V CA 1.452 63.694 62.300 -0.096 0.000 1.036 159 V CB -0.836 30.943 31.823 -0.074 0.000 0.664 159 V HN 0.468 nan 8.190 nan 0.000 0.453 160 V N 0.244 119.953 119.914 -0.341 0.000 2.295 160 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 160 V C 2.576 178.494 176.094 -0.294 0.000 1.049 160 V CA 2.416 64.356 62.300 -0.601 0.000 1.024 160 V CB -0.820 30.363 31.823 -1.066 0.000 0.648 160 V HN 0.494 nan 8.190 nan 0.000 0.447 161 R N 0.072 120.465 120.500 -0.179 0.000 2.113 161 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 161 R C 2.518 178.833 176.300 0.026 0.000 1.142 161 R CA 1.969 58.036 56.100 -0.055 0.000 0.953 161 R CB -0.250 30.019 30.300 -0.052 0.000 0.860 161 R HN 0.424 nan 8.270 nan 0.000 0.438 162 R N -0.235 120.276 120.500 0.018 0.000 2.075 162 R HA -0.079 4.261 4.340 -0.000 0.000 0.232 162 R C 2.214 178.604 176.300 0.150 0.000 1.126 162 R CA 1.308 57.465 56.100 0.096 0.000 0.963 162 R CB -0.116 30.219 30.300 0.057 0.000 0.858 162 R HN 0.308 nan 8.270 nan 0.000 0.435 163 E N 0.917 121.186 120.200 0.115 0.000 2.051 163 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 163 E C 2.168 178.879 176.600 0.185 0.000 0.991 163 E CA 0.837 57.334 56.400 0.161 0.000 0.799 163 E CB -0.196 29.645 29.700 0.235 0.000 0.748 163 E HN 0.310 nan 8.360 nan 0.000 0.449 164 L N 0.068 121.412 121.223 0.202 0.000 1.970 164 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 164 L C 2.547 179.529 176.870 0.186 0.000 1.071 164 L CA 1.442 56.402 54.840 0.200 0.000 0.751 164 L CB -0.569 41.599 42.059 0.181 0.000 0.889 164 L HN 0.102 nan 8.230 nan 0.000 0.432 165 F N 0.885 120.867 119.950 0.054 0.000 2.192 165 F HA -0.281 4.246 4.527 -0.000 0.000 0.301 165 F C 2.785 178.611 175.800 0.045 0.000 1.079 165 F CA 1.773 59.800 58.000 0.045 0.000 1.303 165 F CB -0.384 38.636 39.000 0.033 0.000 1.024 165 F HN -0.019 nan 8.300 nan 0.000 0.494 166 R N -0.077 120.446 120.500 0.037 0.000 2.062 166 R HA -0.160 4.179 4.340 -0.000 0.000 0.231 166 R C 2.236 178.489 176.300 -0.078 0.000 1.136 166 R CA 1.656 57.722 56.100 -0.056 0.000 0.948 166 R CB -0.803 29.522 30.300 0.042 0.000 0.845 166 R HN 0.386 nan 8.270 nan 0.000 0.430 167 L N 0.943 122.166 121.223 -0.000 0.000 1.933 167 L HA -0.207 4.133 4.340 -0.000 0.000 0.220 167 L C 2.280 179.133 176.870 -0.028 0.000 1.078 167 L CA 1.886 56.732 54.840 0.010 0.000 0.773 167 L CB -0.970 41.123 42.059 0.057 0.000 0.890 167 L HN 0.077 nan 8.230 nan 0.000 0.434 168 V N 0.470 120.372 119.914 -0.020 0.000 2.252 168 V HA -0.442 3.678 4.120 -0.000 0.000 0.255 168 V C 2.802 178.837 176.094 -0.099 0.000 1.071 168 V CA 2.368 64.648 62.300 -0.033 0.000 1.050 168 V CB -1.742 30.082 31.823 0.002 0.000 0.654 168 V HN 0.746 nan 8.190 nan 0.000 0.448 169 A N -0.218 122.461 122.820 -0.236 0.000 1.869 169 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 169 A C 2.315 179.807 177.584 -0.152 0.000 1.203 169 A CA 2.253 54.111 52.037 -0.298 0.000 0.638 169 A CB -0.610 18.052 19.000 -0.563 0.000 0.831 169 A HN 0.449 nan 8.150 nan 0.000 0.450 170 R N -0.526 119.904 120.500 -0.117 0.000 2.096 170 R HA -0.122 4.218 4.340 -0.000 0.000 0.240 170 R C 2.133 178.415 176.300 -0.029 0.000 1.139 170 R CA 1.572 57.639 56.100 -0.055 0.000 0.952 170 R CB -1.225 29.059 30.300 -0.027 0.000 0.854 170 R HN 0.626 nan 8.270 nan 0.000 0.436 171 L N 0.674 121.884 121.223 -0.022 0.000 2.131 171 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 171 L C 2.629 179.498 176.870 -0.002 0.000 1.092 171 L CA 1.256 56.096 54.840 -0.001 0.000 0.759 171 L CB -0.307 41.758 42.059 0.010 0.000 0.903 171 L HN 0.178 nan 8.230 nan 0.000 0.435 172 K N -0.293 120.095 120.400 -0.020 0.000 2.228 172 K HA -0.130 4.190 4.320 -0.000 0.000 0.202 172 K C 2.009 178.604 176.600 -0.008 0.000 1.051 172 K CA 0.759 57.039 56.287 -0.011 0.000 0.960 172 K CB 0.178 32.666 32.500 -0.020 0.000 0.743 172 K HN 0.391 nan 8.250 nan 0.000 0.458 173 Q N 0.594 120.382 119.800 -0.019 0.000 1.990 173 Q HA -0.153 4.187 4.340 -0.000 0.000 0.200 173 Q C 2.071 178.072 176.000 0.001 0.000 0.980 173 Q CA 1.239 57.035 55.803 -0.011 0.000 0.832 173 Q CB -0.170 28.557 28.738 -0.018 0.000 0.897 173 Q HN 0.230 nan 8.270 nan 0.000 0.427 174 I N -0.113 120.459 120.570 0.004 0.000 2.091 174 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 174 I C 1.728 177.854 176.117 0.015 0.000 1.046 174 I CA 2.310 63.618 61.300 0.013 0.000 1.306 174 I CB -1.620 36.392 38.000 0.020 0.000 1.018 174 I HN 0.622 nan 8.210 nan 0.000 0.404 175 G N -0.328 108.481 108.800 0.015 0.000 2.148 175 G HA2 0.019 3.979 3.960 -0.000 0.000 0.157 175 G HA3 0.019 3.979 3.960 -0.000 0.000 0.157 175 G C 0.289 175.203 174.900 0.024 0.000 1.012 175 G CA 0.051 45.162 45.100 0.018 0.000 0.677 175 G HN 0.787 nan 8.290 nan 0.000 0.506 176 A N 0.228 123.066 122.820 0.030 0.000 2.316 176 A HA 0.780 5.100 4.320 -0.000 0.000 0.284 176 A C 0.537 178.156 177.584 0.059 0.000 1.115 176 A CA 0.467 52.530 52.037 0.043 0.000 0.812 176 A CB 0.659 19.687 19.000 0.047 0.000 1.064 176 A HN 0.701 nan 8.150 nan 0.000 0.489 177 T N 2.875 117.481 114.554 0.086 0.000 2.727 177 T HA 0.480 4.830 4.350 -0.000 0.000 0.298 177 T C 0.197 175.001 174.700 0.172 0.000 0.942 177 T CA 0.046 62.219 62.100 0.121 0.000 0.997 177 T CB 0.438 69.402 68.868 0.160 0.000 0.917 177 T HN 0.672 nan 8.240 nan 0.000 0.487 178 T N 2.263 116.874 114.554 0.095 0.000 2.948 178 T HA 0.670 5.020 4.350 -0.000 0.000 0.285 178 T C -0.463 174.206 174.700 -0.052 0.000 1.019 178 T CA -0.653 61.488 62.100 0.068 0.000 1.013 178 T CB 1.677 70.572 68.868 0.044 0.000 1.117 178 T HN 0.306 nan 8.240 nan 0.000 0.533 179 V N 2.093 121.956 119.914 -0.085 0.000 2.524 179 V HA 0.424 4.544 4.120 -0.000 0.000 0.297 179 V C -0.897 175.152 176.094 -0.075 0.000 1.035 179 V CA -0.617 61.576 62.300 -0.177 0.000 0.867 179 V CB 1.605 33.211 31.823 -0.361 0.000 1.004 179 V HN 0.803 nan 8.190 nan 0.000 0.426 180 M N 3.492 123.052 119.600 -0.067 0.000 2.205 180 M HA 0.434 4.914 4.480 -0.000 0.000 0.344 180 M C -0.001 176.280 176.300 -0.031 0.000 1.085 180 M CA -0.279 55.006 55.300 -0.024 0.000 1.001 180 M CB 1.952 34.555 32.600 0.006 0.000 1.626 180 M HN 0.476 nan 8.290 nan 0.000 0.442 181 T N 2.637 117.190 114.554 -0.002 0.000 2.832 181 T HA 0.460 4.810 4.350 -0.000 0.000 0.296 181 T C -0.127 174.586 174.700 0.021 0.000 0.968 181 T CA -0.098 62.007 62.100 0.007 0.000 1.107 181 T CB 0.554 69.447 68.868 0.041 0.000 0.916 181 T HN 0.671 nan 8.240 nan 0.000 0.517 182 T N 2.686 117.247 114.554 0.011 0.000 2.903 182 T HA 0.485 4.835 4.350 -0.000 0.000 0.299 182 T C -0.926 173.782 174.700 0.013 0.000 1.093 182 T CA -1.212 60.905 62.100 0.027 0.000 1.002 182 T CB 1.830 70.711 68.868 0.021 0.000 1.127 182 T HN 0.649 nan 8.240 nan 0.000 0.488 183 E N 1.576 121.785 120.200 0.015 0.000 2.183 183 E HA 0.697 5.047 4.350 -0.000 0.000 0.271 183 E C -0.846 175.733 176.600 -0.036 0.000 0.919 183 E CA -1.089 55.309 56.400 -0.004 0.000 0.781 183 E CB 2.141 31.844 29.700 0.006 0.000 1.140 183 E HN 0.410 nan 8.360 nan 0.000 0.402 184 R N 1.233 121.709 120.500 -0.040 0.000 2.873 184 R HA 0.425 4.765 4.340 -0.000 0.000 0.264 184 R C 0.702 176.972 176.300 -0.050 0.000 1.026 184 R CA -0.691 55.374 56.100 -0.057 0.000 1.002 184 R CB 1.155 31.421 30.300 -0.057 0.000 1.174 184 R HN 0.554 nan 8.270 nan 0.000 0.488 185 I N -1.523 119.016 120.570 -0.053 0.000 4.032 185 I HA 0.224 4.394 4.170 -0.000 0.000 0.313 185 I C 0.285 176.387 176.117 -0.026 0.000 1.272 185 I CA 0.553 61.831 61.300 -0.038 0.000 1.307 185 I CB -0.220 37.755 38.000 -0.043 0.000 1.155 185 I HN 0.456 nan 8.210 nan 0.000 0.431 186 E N 2.045 122.229 120.200 -0.026 0.000 2.210 186 E HA 0.205 4.555 4.350 -0.000 0.000 0.266 186 E C 0.238 176.818 176.600 -0.033 0.000 0.883 186 E CA -0.133 56.262 56.400 -0.008 0.000 0.761 186 E CB 2.651 32.359 29.700 0.014 0.000 1.156 186 E HN -0.034 nan 8.360 nan 0.000 0.412 187 E N 2.417 122.588 120.200 -0.048 0.000 2.171 187 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 187 E C 0.339 176.719 176.600 -0.366 0.000 0.997 187 E CA 1.553 57.838 56.400 -0.192 0.000 0.810 187 E CB 0.002 29.588 29.700 -0.191 0.000 0.738 187 E HN 0.514 nan 8.360 nan 0.000 0.467 188 Y N -2.189 118.105 120.300 -0.009 0.000 2.588 188 Y HA 0.373 4.923 4.550 -0.000 0.000 0.247 188 Y C 1.234 177.129 175.900 -0.008 0.000 1.157 188 Y CA -0.139 57.956 58.100 -0.009 0.000 1.215 188 Y CB 0.883 39.338 38.460 -0.008 0.000 1.245 188 Y HN 0.035 nan 8.280 nan 0.000 0.534 189 G N 1.419 110.272 108.800 0.088 0.000 3.152 189 G HA2 0.122 4.082 3.960 -0.000 0.000 0.157 189 G HA3 0.122 4.082 3.960 -0.000 0.000 0.157 189 G C -1.812 173.105 174.900 0.028 0.000 1.786 189 G CA -0.389 44.745 45.100 0.055 0.000 1.055 189 G HN -0.060 nan 8.290 nan 0.000 0.528 190 P HA 0.237 nan 4.420 nan 0.000 0.272 190 P C 0.270 177.553 177.300 -0.028 0.000 1.230 190 P CA -0.421 62.678 63.100 -0.002 0.000 0.788 190 P CB 1.493 33.188 31.700 -0.008 0.000 0.949 191 I N 0.625 121.169 120.570 -0.042 0.000 2.353 191 I HA -0.010 4.160 4.170 -0.000 0.000 0.248 191 I C 1.332 177.410 176.117 -0.065 0.000 1.119 191 I CA 1.388 62.647 61.300 -0.069 0.000 1.417 191 I CB -0.788 37.145 38.000 -0.112 0.000 1.078 191 I HN 0.459 nan 8.210 nan 0.000 0.421 192 A N -1.028 121.759 122.820 -0.055 0.000 2.486 192 A HA 0.449 4.769 4.320 -0.000 0.000 0.300 192 A C 1.114 178.646 177.584 -0.088 0.000 1.048 192 A CA -0.632 51.376 52.037 -0.048 0.000 0.696 192 A CB 0.929 19.923 19.000 -0.010 0.000 1.278 192 A HN 0.086 nan 8.150 nan 0.000 0.405 193 R N -0.007 120.388 120.500 -0.176 0.000 2.338 193 R HA -0.250 4.090 4.340 -0.000 0.000 0.272 193 R C -0.299 175.607 176.300 -0.656 0.000 1.180 193 R CA 2.521 58.362 56.100 -0.432 0.000 1.020 193 R CB -0.282 29.663 30.300 -0.592 0.000 0.885 193 R HN 0.783 nan 8.270 nan 0.000 0.488 194 Y N -1.385 118.908 120.300 -0.011 0.000 2.698 194 Y HA 0.282 4.831 4.550 -0.000 0.000 0.261 194 Y C 0.902 176.804 175.900 0.004 0.000 1.104 194 Y CA -0.172 57.912 58.100 -0.026 0.000 1.145 194 Y CB 0.939 39.342 38.460 -0.094 0.000 1.191 194 Y HN 0.098 nan 8.280 nan 0.000 0.564 195 G N 0.870 109.726 108.800 0.094 0.000 2.332 195 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.275 195 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.275 195 G C 0.525 175.572 174.900 0.244 0.000 0.825 195 G CA 1.512 46.694 45.100 0.137 0.000 1.070 195 G HN 0.426 nan 8.290 nan 0.000 0.470 196 V N -0.991 119.047 119.914 0.207 0.000 3.161 196 V HA 0.055 4.175 4.120 -0.000 0.000 0.228 196 V C 2.236 178.445 176.094 0.192 0.000 1.415 196 V CA 1.322 63.768 62.300 0.243 0.000 1.285 196 V CB 0.024 31.912 31.823 0.107 0.000 1.100 196 V HN 0.390 nan 8.190 nan 0.000 0.478 197 E N 1.153 121.405 120.200 0.088 0.000 2.049 197 E HA -0.288 4.061 4.350 -0.000 0.000 0.198 197 E C 1.814 178.383 176.600 -0.051 0.000 1.007 197 E CA 1.957 58.383 56.400 0.043 0.000 0.809 197 E CB -0.257 29.468 29.700 0.040 0.000 0.749 197 E HN 0.607 nan 8.360 nan 0.000 0.450 198 E N -0.563 119.506 120.200 -0.218 0.000 2.245 198 E HA -0.244 4.106 4.350 -0.000 0.000 0.217 198 E C 1.424 177.634 176.600 -0.649 0.000 1.069 198 E CA 2.007 58.062 56.400 -0.575 0.000 0.877 198 E CB -0.331 28.714 29.700 -1.092 0.000 0.757 198 E HN 0.387 nan 8.360 nan 0.000 0.464 199 F N -1.893 118.066 119.950 0.015 0.000 2.721 199 F HA 0.148 4.675 4.527 -0.000 0.000 0.301 199 F C 1.483 177.299 175.800 0.026 0.000 1.096 199 F CA -0.097 57.910 58.000 0.012 0.000 1.308 199 F CB 0.491 39.486 39.000 -0.007 0.000 1.086 199 F HN -0.137 nan 8.300 nan 0.000 0.587 200 V N -1.526 118.479 119.914 0.152 0.000 3.608 200 V HA 0.078 4.198 4.120 -0.000 0.000 0.269 200 V C 0.784 176.962 176.094 0.140 0.000 1.245 200 V CA 0.341 62.741 62.300 0.167 0.000 1.138 200 V CB -0.555 31.367 31.823 0.164 0.000 0.841 200 V HN 0.093 nan 8.190 nan 0.000 0.451 201 S N -0.117 115.624 115.700 0.068 0.000 2.638 201 S HA 0.334 4.804 4.470 -0.000 0.000 0.298 201 S C 0.673 175.295 174.600 0.037 0.000 1.111 201 S CA -0.615 57.610 58.200 0.041 0.000 1.027 201 S CB 1.902 65.098 63.200 -0.008 0.000 1.064 201 S HN 0.295 nan 8.310 nan 0.000 0.525 202 D N 1.027 121.448 120.400 0.034 0.000 2.149 202 D HA 0.033 4.673 4.640 -0.000 0.000 0.206 202 D C -0.154 176.152 176.300 0.011 0.000 0.967 202 D CA 1.038 55.059 54.000 0.035 0.000 0.848 202 D CB 0.170 40.993 40.800 0.039 0.000 0.998 202 D HN 0.455 nan 8.370 nan 0.000 0.474 203 N N 0.335 119.029 118.700 -0.010 0.000 2.272 203 N HA 0.347 5.087 4.740 -0.000 0.000 0.305 203 N C -0.814 174.656 175.510 -0.067 0.000 1.103 203 N CA -0.424 52.604 53.050 -0.037 0.000 0.791 203 N CB 3.073 41.543 38.487 -0.028 0.000 1.356 203 N HN -0.239 nan 8.380 nan 0.000 0.486 204 V N 0.825 120.682 119.914 -0.095 0.000 2.525 204 V HA 0.422 4.541 4.120 -0.000 0.000 0.299 204 V C -0.304 175.716 176.094 -0.122 0.000 1.034 204 V CA -0.808 61.426 62.300 -0.110 0.000 0.863 204 V CB 1.967 33.718 31.823 -0.120 0.000 0.999 204 V HN 0.371 nan 8.190 nan 0.000 0.423 205 V N 6.221 126.061 119.914 -0.125 0.000 2.444 205 V HA 0.535 4.655 4.120 -0.000 0.000 0.294 205 V C -0.341 175.683 176.094 -0.118 0.000 1.022 205 V CA -0.337 61.890 62.300 -0.121 0.000 0.850 205 V CB 1.941 33.690 31.823 -0.124 0.000 0.992 205 V HN 0.746 nan 8.190 nan 0.000 0.426 206 I N 6.171 126.696 120.570 -0.075 0.000 2.354 206 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 206 I C -0.492 175.621 176.117 -0.007 0.000 0.989 206 I CA -0.393 60.872 61.300 -0.059 0.000 1.188 206 I CB 1.442 39.405 38.000 -0.062 0.000 1.342 206 I HN 0.305 nan 8.210 nan 0.000 0.457 207 L N 7.194 128.423 121.223 0.010 0.000 2.272 207 L HA 0.545 4.885 4.340 -0.000 0.000 0.289 207 L C -0.068 176.839 176.870 0.060 0.000 1.032 207 L CA -0.542 54.373 54.840 0.126 0.000 0.810 207 L CB 0.873 43.030 42.059 0.163 0.000 1.205 207 L HN 0.559 nan 8.230 nan 0.000 0.422 208 R N 2.363 122.887 120.500 0.040 0.000 2.711 208 R HA 0.331 4.671 4.340 -0.000 0.000 0.284 208 R C -0.532 175.716 176.300 -0.086 0.000 0.968 208 R CA -0.615 55.440 56.100 -0.074 0.000 0.924 208 R CB 2.190 32.383 30.300 -0.179 0.000 1.162 208 R HN 0.554 nan 8.270 nan 0.000 0.465 209 N N 2.203 120.853 118.700 -0.084 0.000 2.851 209 N HA 0.130 4.870 4.740 -0.000 0.000 0.248 209 N C -0.997 174.475 175.510 -0.063 0.000 1.221 209 N CA -0.201 52.804 53.050 -0.076 0.000 0.847 209 N CB 1.057 39.523 38.487 -0.035 0.000 1.150 209 N HN 0.179 nan 8.380 nan 0.000 0.507 210 V N 3.815 123.691 119.914 -0.063 0.000 2.521 210 V HA -0.011 4.109 4.120 -0.000 0.000 0.286 210 V C 1.134 177.232 176.094 0.006 0.000 1.034 210 V CA -0.031 62.264 62.300 -0.008 0.000 1.045 210 V CB 0.922 32.767 31.823 0.036 0.000 0.974 210 V HN 0.564 nan 8.190 nan 0.000 0.480 211 L N 4.304 125.541 121.223 0.024 0.000 2.399 211 L HA 0.288 4.627 4.340 -0.000 0.000 0.206 211 L C 1.188 178.070 176.870 0.020 0.000 1.261 211 L CA 1.352 56.202 54.840 0.016 0.000 2.863 211 L CB -0.533 41.536 42.059 0.018 0.000 2.728 211 L HN 1.014 nan 8.230 nan 0.000 1.097 212 E N -0.488 119.724 120.200 0.021 0.000 4.670 212 E HA -0.109 4.241 4.350 -0.000 0.000 0.176 212 E C 0.233 176.835 176.600 0.003 0.000 1.332 212 E CA 0.734 57.143 56.400 0.014 0.000 1.078 212 E CB -1.783 27.931 29.700 0.023 0.000 1.040 212 E HN 1.341 nan 8.360 nan 0.000 0.376 213 G N 3.052 111.851 108.800 -0.001 0.000 2.134 213 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.209 213 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.209 213 G C 0.390 175.285 174.900 -0.007 0.000 0.993 213 G CA 0.700 45.796 45.100 -0.006 0.000 0.669 213 G HN 0.733 nan 8.290 nan 0.000 0.519 214 E N -2.189 118.008 120.200 -0.005 0.000 3.916 214 E HA -0.221 4.129 4.350 -0.000 0.000 0.331 214 E C 0.536 177.132 176.600 -0.006 0.000 0.729 214 E CA 1.372 57.768 56.400 -0.006 0.000 1.222 214 E CB -0.682 29.013 29.700 -0.008 0.000 1.633 214 E HN 0.560 nan 8.360 nan 0.000 0.437 215 R N 1.059 121.555 120.500 -0.007 0.000 2.514 215 R HA 0.463 4.803 4.340 -0.000 0.000 0.301 215 R C 0.378 176.672 176.300 -0.011 0.000 0.962 215 R CA -0.607 55.488 56.100 -0.009 0.000 0.882 215 R CB 1.161 31.456 30.300 -0.009 0.000 1.143 215 R HN -0.001 nan 8.270 nan 0.000 0.452 216 R N 1.501 121.990 120.500 -0.018 0.000 2.674 216 R HA 0.498 4.838 4.340 -0.000 0.000 0.266 216 R C -0.063 176.211 176.300 -0.042 0.000 1.016 216 R CA -0.819 55.265 56.100 -0.027 0.000 1.062 216 R CB 1.712 31.995 30.300 -0.029 0.000 1.142 216 R HN 0.517 nan 8.270 nan 0.000 0.517 217 R N 1.607 122.070 120.500 -0.062 0.000 2.810 217 R HA 0.177 4.517 4.340 -0.000 0.000 0.280 217 R C -0.859 175.345 176.300 -0.161 0.000 1.517 217 R CA -0.507 55.540 56.100 -0.088 0.000 1.063 217 R CB 0.792 31.065 30.300 -0.044 0.000 1.275 217 R HN 0.633 nan 8.270 nan 0.000 0.464 218 R N 2.277 122.595 120.500 -0.303 0.000 2.537 218 R HA 0.212 4.552 4.340 -0.000 0.000 0.280 218 R C -0.512 175.441 176.300 -0.578 0.000 1.058 218 R CA -0.091 55.648 56.100 -0.600 0.000 1.057 218 R CB 0.687 30.292 30.300 -1.158 0.000 0.973 218 R HN 0.591 nan 8.270 nan 0.000 0.438 219 T N 0.328 114.690 114.554 -0.320 0.000 2.933 219 T HA 0.492 4.842 4.350 -0.000 0.000 0.305 219 T C -0.620 174.233 174.700 0.256 0.000 1.092 219 T CA -1.034 61.070 62.100 0.008 0.000 1.008 219 T CB 1.611 70.484 68.868 0.009 0.000 1.102 219 T HN 0.568 nan 8.240 nan 0.000 0.469 220 L N 1.239 122.729 121.223 0.445 0.000 2.342 220 L HA 0.850 5.190 4.340 -0.000 0.000 0.271 220 L C -0.730 176.276 176.870 0.226 0.000 1.008 220 L CA -0.538 54.528 54.840 0.377 0.000 0.818 220 L CB 1.779 44.084 42.059 0.410 0.000 1.296 220 L HN 0.990 nan 8.230 nan 0.000 0.427 221 E N 4.122 124.390 120.200 0.114 0.000 2.321 221 E HA 0.354 4.704 4.350 -0.000 0.000 0.278 221 E C -1.655 174.925 176.600 -0.032 0.000 0.902 221 E CA -0.652 55.789 56.400 0.068 0.000 0.758 221 E CB 2.023 31.750 29.700 0.045 0.000 1.213 221 E HN 0.627 nan 8.360 nan 0.000 0.426 222 I N 6.254 126.766 120.570 -0.097 0.000 2.297 222 I HA 0.122 4.292 4.170 -0.000 0.000 0.291 222 I C 1.205 177.182 176.117 -0.232 0.000 1.033 222 I CA -0.132 61.005 61.300 -0.271 0.000 1.253 222 I CB 1.025 38.709 38.000 -0.528 0.000 1.396 222 I HN 0.646 nan 8.210 nan 0.000 0.476 223 L N 6.817 127.948 121.223 -0.154 0.000 2.127 223 L HA 0.057 4.396 4.340 -0.000 0.000 0.203 223 L C 0.698 177.555 176.870 -0.022 0.000 1.080 223 L CA 1.074 55.881 54.840 -0.055 0.000 0.768 223 L CB 0.160 42.184 42.059 -0.059 0.000 0.924 223 L HN 0.641 nan 8.230 nan 0.000 0.444 224 K N -0.972 119.362 120.400 -0.111 0.000 2.568 224 K HA 0.446 4.766 4.320 -0.000 0.000 0.273 224 K C -1.641 174.919 176.600 -0.067 0.000 0.951 224 K CA -0.749 55.535 56.287 -0.004 0.000 0.854 224 K CB 1.533 34.050 32.500 0.028 0.000 1.424 224 K HN -0.079 nan 8.250 nan 0.000 0.427 225 L N 2.991 124.248 121.223 0.058 0.000 2.471 225 L HA 0.438 4.778 4.340 -0.000 0.000 0.263 225 L C -0.541 176.380 176.870 0.086 0.000 0.985 225 L CA -0.850 54.025 54.840 0.058 0.000 0.868 225 L CB 1.838 43.959 42.059 0.103 0.000 1.203 225 L HN 0.632 nan 8.230 nan 0.000 0.429 226 R N 1.760 122.295 120.500 0.059 0.000 2.484 226 R HA 0.252 4.592 4.340 -0.000 0.000 0.293 226 R C 1.187 177.523 176.300 0.060 0.000 1.023 226 R CA 1.095 57.230 56.100 0.059 0.000 1.037 226 R CB 0.449 30.781 30.300 0.054 0.000 0.951 226 R HN 0.930 nan 8.270 nan 0.000 0.418 227 G N 1.901 110.735 108.800 0.057 0.000 2.225 227 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.254 227 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.254 227 G C 0.176 175.110 174.900 0.057 0.000 0.988 227 G CA 0.422 45.553 45.100 0.052 0.000 0.625 227 G HN 0.709 nan 8.290 nan 0.000 0.527 228 T N -1.341 113.256 114.554 0.072 0.000 2.865 228 T HA 0.786 5.136 4.350 -0.000 0.000 0.294 228 T C 0.153 174.902 174.700 0.081 0.000 1.119 228 T CA 0.377 62.525 62.100 0.080 0.000 1.007 228 T CB 1.864 70.788 68.868 0.094 0.000 1.225 228 T HN 1.286 nan 8.240 nan 0.000 0.515 229 S N 0.139 115.877 115.700 0.063 0.000 2.713 229 S HA 0.879 5.349 4.470 -0.000 0.000 0.277 229 S C -0.282 174.267 174.600 -0.087 0.000 1.168 229 S CA -0.455 57.721 58.200 -0.039 0.000 0.994 229 S CB 0.420 63.627 63.200 0.010 0.000 1.054 229 S HN 1.421 nan 8.310 nan 0.000 0.555 230 H N -2.408 116.477 119.070 -0.308 0.000 2.916 230 H HA 0.524 5.080 4.556 -0.000 0.000 0.260 230 H C -1.631 173.410 175.328 -0.478 0.000 1.502 230 H CA -1.174 54.506 56.048 -0.613 0.000 1.171 230 H CB 0.240 29.815 29.762 -0.311 0.000 1.885 230 H HN 0.596 nan 8.280 nan 0.000 0.641 231 M N 0.927 120.479 119.600 -0.080 0.000 2.268 231 M HA 0.475 4.955 4.480 -0.000 0.000 0.344 231 M C -1.096 175.385 176.300 0.302 0.000 1.106 231 M CA -0.892 54.437 55.300 0.048 0.000 1.010 231 M CB 1.838 34.448 32.600 0.017 0.000 1.649 231 M HN 0.336 nan 8.290 nan 0.000 0.443 232 K N 1.654 122.171 120.400 0.195 0.000 2.118 232 K HA 0.847 5.167 4.320 -0.000 0.000 0.267 232 K C 0.150 176.845 176.600 0.159 0.000 0.991 232 K CA 0.084 56.486 56.287 0.191 0.000 0.916 232 K CB 1.410 33.955 32.500 0.074 0.000 1.041 232 K HN 0.883 nan 8.250 nan 0.000 0.455 233 G N 1.142 109.997 108.800 0.091 0.000 2.603 233 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.686 233 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.686 233 G C -1.277 173.547 174.900 -0.127 0.000 1.286 233 G CA -1.010 44.060 45.100 -0.049 0.000 0.871 233 G HN 0.478 nan 8.290 nan 0.000 0.568 234 E N -0.637 119.443 120.200 -0.199 0.000 2.313 234 E HA 0.555 4.905 4.350 -0.000 0.000 0.272 234 E C -1.039 175.317 176.600 -0.406 0.000 1.038 234 E CA -0.167 56.147 56.400 -0.143 0.000 0.863 234 E CB 1.139 30.814 29.700 -0.041 0.000 1.060 234 E HN 0.422 nan 8.360 nan 0.000 0.402 235 Y N 1.679 122.048 120.300 0.117 0.000 2.391 235 Y HA 0.256 4.805 4.550 -0.000 0.000 0.341 235 Y C -2.142 173.884 175.900 0.209 0.000 0.965 235 Y CA -2.595 55.595 58.100 0.150 0.000 1.067 235 Y CB 1.791 40.335 38.460 0.141 0.000 1.199 235 Y HN 0.394 nan 8.280 nan 0.000 0.450 236 P HA 0.132 nan 4.420 nan 0.000 0.271 236 P C -1.000 176.584 177.300 0.472 0.000 1.216 236 P CA 0.236 63.492 63.100 0.260 0.000 0.776 236 P CB 0.905 32.712 31.700 0.178 0.000 0.881 237 F N -0.502 119.624 119.950 0.292 0.000 2.706 237 F HA 0.850 5.377 4.527 -0.000 0.000 0.328 237 F C -1.205 174.774 175.800 0.299 0.000 1.123 237 F CA -1.064 57.126 58.000 0.316 0.000 0.978 237 F CB 0.922 40.059 39.000 0.227 0.000 1.404 237 F HN 0.152 nan 8.300 nan 0.000 0.497 238 T N 1.865 116.893 114.554 0.792 0.000 2.952 238 T HA 0.551 4.900 4.350 -0.000 0.000 0.305 238 T C -1.017 173.975 174.700 0.487 0.000 1.064 238 T CA -0.396 62.018 62.100 0.524 0.000 1.008 238 T CB 1.624 70.768 68.868 0.461 0.000 1.078 238 T HN 0.607 nan 8.240 nan 0.000 0.459 239 I N 3.653 124.452 120.570 0.381 0.000 2.328 239 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 239 I C 1.001 177.262 176.117 0.240 0.000 1.012 239 I CA -0.347 61.146 61.300 0.321 0.000 1.195 239 I CB 1.251 39.447 38.000 0.326 0.000 1.350 239 I HN 0.778 nan 8.210 nan 0.000 0.464 240 T N 0.657 115.351 114.554 0.233 0.000 2.619 240 T HA 0.285 4.635 4.350 -0.000 0.000 0.244 240 T C 0.600 175.379 174.700 0.131 0.000 0.893 240 T CA -0.422 61.774 62.100 0.159 0.000 1.093 240 T CB 1.311 70.276 68.868 0.163 0.000 1.567 240 T HN 0.388 nan 8.240 nan 0.000 0.549 241 D N -0.132 120.250 120.400 -0.030 0.000 2.348 241 D HA 0.052 4.692 4.640 -0.000 0.000 0.211 241 D C 0.644 176.807 176.300 -0.229 0.000 0.998 241 D CA 0.633 54.493 54.000 -0.232 0.000 0.873 241 D CB -0.025 40.549 40.800 -0.377 0.000 0.925 241 D HN 0.519 nan 8.370 nan 0.000 0.524 242 H N 0.153 119.287 119.070 0.106 0.000 2.472 242 H HA 0.379 4.935 4.556 -0.000 0.000 0.287 242 H C 1.403 176.818 175.328 0.145 0.000 1.112 242 H CA 0.251 56.374 56.048 0.125 0.000 1.021 242 H CB 0.260 30.091 29.762 0.115 0.000 1.635 242 H HN 0.061 nan 8.280 nan 0.000 0.559 243 G N 1.040 109.944 108.800 0.173 0.000 2.645 243 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.246 243 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.246 243 G C 0.038 174.975 174.900 0.062 0.000 1.322 243 G CA -0.381 44.708 45.100 -0.019 0.000 0.898 243 G HN 0.348 nan 8.290 nan 0.000 0.573 244 I N 1.405 121.958 120.570 -0.029 0.000 2.581 244 I HA 0.155 4.325 4.170 -0.000 0.000 0.285 244 I C 0.480 176.579 176.117 -0.031 0.000 1.129 244 I CA 0.242 61.517 61.300 -0.042 0.000 1.397 244 I CB 0.479 38.342 38.000 -0.228 0.000 1.399 244 I HN 0.476 nan 8.210 nan 0.000 0.537 245 N N 7.525 126.256 118.700 0.052 0.000 2.479 245 N HA 0.508 5.248 4.740 -0.000 0.000 0.261 245 N C -0.885 174.553 175.510 -0.120 0.000 0.979 245 N CA -0.432 52.566 53.050 -0.087 0.000 0.930 245 N CB 0.946 39.372 38.487 -0.102 0.000 1.172 245 N HN 0.371 nan 8.380 nan 0.000 0.499 246 I N 2.192 122.659 120.570 -0.172 0.000 2.577 246 I HA 0.408 4.578 4.170 -0.000 0.000 0.305 246 I C -0.672 175.282 176.117 -0.273 0.000 0.986 246 I CA -0.813 60.488 61.300 0.001 0.000 1.189 246 I CB 1.042 39.104 38.000 0.102 0.000 1.355 246 I HN 0.380 nan 8.210 nan 0.000 0.476 247 F N 4.099 124.156 119.950 0.178 0.000 2.434 247 F HA 0.358 4.885 4.527 -0.000 0.000 0.367 247 F C -2.182 173.699 175.800 0.135 0.000 1.093 247 F CA -2.190 55.885 58.000 0.125 0.000 1.085 247 F CB 0.887 39.956 39.000 0.115 0.000 1.322 247 F HN 0.183 nan 8.300 nan 0.000 0.452 248 P HA 0.125 nan 4.420 nan 0.000 0.231 248 P C 1.054 178.450 177.300 0.159 0.000 1.756 248 P CA 0.266 63.370 63.100 0.006 0.000 0.990 248 P CB -0.091 31.522 31.700 -0.146 0.000 1.973 249 L N -0.718 120.672 121.223 0.278 0.000 2.563 249 L HA -0.165 4.175 4.340 -0.000 0.000 0.230 249 L C 2.086 179.063 176.870 0.179 0.000 1.162 249 L CA 1.544 56.507 54.840 0.204 0.000 0.812 249 L CB -0.723 41.440 42.059 0.173 0.000 0.935 249 L HN 0.322 nan 8.230 nan 0.000 0.451 250 G N -1.347 107.599 108.800 0.242 0.000 2.673 250 G HA2 0.074 4.034 3.960 -0.000 0.000 0.208 250 G HA3 0.074 4.034 3.960 -0.000 0.000 0.208 250 G C 1.737 176.712 174.900 0.126 0.000 1.128 250 G CA 0.521 45.740 45.100 0.199 0.000 0.805 250 G HN 0.359 nan 8.290 nan 0.000 0.526 251 A N 0.694 123.568 122.820 0.089 0.000 1.940 251 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 251 A C 1.658 179.273 177.584 0.053 0.000 1.176 251 A CA 0.870 52.935 52.037 0.047 0.000 0.631 251 A CB -0.454 18.544 19.000 -0.004 0.000 0.814 251 A HN 0.432 nan 8.150 nan 0.000 0.446 252 M N 1.142 120.782 119.600 0.067 0.000 2.286 252 M HA -0.013 4.467 4.480 -0.000 0.000 0.365 252 M C -0.003 176.326 176.300 0.047 0.000 1.443 252 M CA 0.560 55.898 55.300 0.063 0.000 0.951 252 M CB 0.212 32.858 32.600 0.077 0.000 1.961 252 M HN 0.387 nan 8.290 nan 0.000 0.468 253 R N 3.463 123.985 120.500 0.036 0.000 2.549 253 R HA 0.380 4.719 4.340 -0.000 0.000 0.267 253 R C -0.481 175.831 176.300 0.020 0.000 1.045 253 R CA -0.956 55.159 56.100 0.025 0.000 1.115 253 R CB 0.621 30.931 30.300 0.017 0.000 1.121 253 R HN 0.636 nan 8.270 nan 0.000 0.543 254 L N 1.539 122.770 121.223 0.014 0.000 2.865 254 L HA 0.197 4.537 4.340 -0.000 0.000 0.233 254 L C -0.518 176.353 176.870 0.003 0.000 1.320 254 L CA 0.749 55.593 54.840 0.007 0.000 1.225 254 L CB -0.041 42.021 42.059 0.006 0.000 1.542 254 L HN 0.559 nan 8.230 nan 0.000 0.432 255 T N 0.614 115.170 114.554 0.003 0.000 3.516 255 T HA 0.251 4.601 4.350 -0.000 0.000 0.245 255 T C -0.117 174.581 174.700 -0.003 0.000 1.077 255 T CA -0.465 61.635 62.100 -0.001 0.000 1.222 255 T CB -0.017 68.851 68.868 0.001 0.000 1.045 255 T HN 0.349 nan 8.240 nan 0.000 0.585 256 Q N 1.041 120.837 119.800 -0.006 0.000 2.259 256 Q HA 0.452 4.792 4.340 -0.000 0.000 0.249 256 Q C -0.012 175.980 176.000 -0.012 0.000 0.914 256 Q CA -0.609 55.188 55.803 -0.009 0.000 0.904 256 Q CB 1.722 30.455 28.738 -0.008 0.000 1.213 256 Q HN 0.330 nan 8.270 nan 0.000 0.428 257 R N 0.761 121.254 120.500 -0.012 0.000 2.679 257 R HA 0.164 4.504 4.340 -0.000 0.000 0.268 257 R C -0.194 176.097 176.300 -0.015 0.000 1.044 257 R CA 0.322 56.416 56.100 -0.011 0.000 1.105 257 R CB 0.529 30.825 30.300 -0.007 0.000 0.989 257 R HN 0.537 nan 8.270 nan 0.000 0.447 258 S N 1.264 116.951 115.700 -0.022 0.000 2.789 258 S HA 0.292 4.762 4.470 -0.000 0.000 0.286 258 S C -1.033 173.543 174.600 -0.040 0.000 1.153 258 S CA -0.656 57.519 58.200 -0.042 0.000 1.084 258 S CB 0.733 63.895 63.200 -0.065 0.000 1.036 258 S HN 0.629 nan 8.310 nan 0.000 0.484 259 S N 3.752 119.440 115.700 -0.020 0.000 2.607 259 S HA 0.521 4.991 4.470 -0.000 0.000 0.303 259 S C 0.454 175.076 174.600 0.037 0.000 1.086 259 S CA -0.861 57.346 58.200 0.011 0.000 0.995 259 S CB 1.395 64.621 63.200 0.044 0.000 1.084 259 S HN 0.606 nan 8.310 nan 0.000 0.507 260 N N 0.268 119.023 118.700 0.093 0.000 2.412 260 N HA 0.096 4.836 4.740 -0.000 0.000 0.184 260 N C 0.190 175.904 175.510 0.340 0.000 1.101 260 N CA 0.145 53.339 53.050 0.240 0.000 0.881 260 N CB -0.030 38.565 38.487 0.181 0.000 0.969 260 N HN 0.480 nan 8.380 nan 0.000 0.459 261 V N 2.116 122.160 119.914 0.217 0.000 3.230 261 V HA -0.088 4.032 4.120 -0.000 0.000 0.302 261 V C 0.989 177.208 176.094 0.209 0.000 1.158 261 V CA 0.473 62.873 62.300 0.168 0.000 1.279 261 V CB 0.373 32.267 31.823 0.117 0.000 0.983 261 V HN 0.176 nan 8.190 nan 0.000 0.506 262 R N 1.327 121.892 120.500 0.109 0.000 2.919 262 R HA 0.870 5.210 4.340 -0.000 0.000 0.260 262 R C -1.340 174.987 176.300 0.045 0.000 1.067 262 R CA -0.640 55.491 56.100 0.052 0.000 1.003 262 R CB 2.146 32.428 30.300 -0.030 0.000 1.192 262 R HN 0.530 nan 8.270 nan 0.000 0.488 263 V N -0.711 119.224 119.914 0.035 0.000 3.049 263 V HA 0.343 4.463 4.120 -0.000 0.000 0.309 263 V C 0.051 176.082 176.094 -0.104 0.000 1.148 263 V CA -1.026 61.275 62.300 0.001 0.000 0.990 263 V CB 1.944 33.811 31.823 0.073 0.000 1.039 263 V HN 0.755 nan 8.190 nan 0.000 0.430 264 S N 0.950 116.555 115.700 -0.158 0.000 2.592 264 S HA 0.275 4.745 4.470 -0.000 0.000 0.271 264 S C 1.314 175.701 174.600 -0.355 0.000 1.326 264 S CA 0.222 58.280 58.200 -0.237 0.000 1.024 264 S CB 1.201 64.299 63.200 -0.171 0.000 0.921 264 S HN 1.225 nan 8.310 nan 0.000 0.527 265 S N 2.611 118.029 115.700 -0.470 0.000 2.503 265 S HA 0.318 4.788 4.470 -0.000 0.000 0.217 265 S C 1.430 175.971 174.600 -0.098 0.000 0.999 265 S CA 0.551 58.469 58.200 -0.471 0.000 0.914 265 S CB 0.064 62.806 63.200 -0.763 0.000 0.782 265 S HN 1.663 nan 8.310 nan 0.000 0.520 266 G N 0.094 108.810 108.800 -0.139 0.000 2.218 266 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 266 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 266 G C -0.075 174.777 174.900 -0.080 0.000 0.994 266 G CA -0.137 44.920 45.100 -0.072 0.000 0.637 266 G HN 0.841 nan 8.290 nan 0.000 0.505 267 V N 2.128 121.973 119.914 -0.115 0.000 2.357 267 V HA 0.399 4.519 4.120 -0.000 0.000 0.281 267 V C 1.653 177.675 176.094 -0.120 0.000 1.015 267 V CA -0.164 62.069 62.300 -0.112 0.000 0.827 267 V CB 1.263 33.011 31.823 -0.124 0.000 1.018 267 V HN 0.135 nan 8.190 nan 0.000 0.432 268 V N 4.051 123.910 119.914 -0.091 0.000 2.250 268 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 268 V C 2.569 178.623 176.094 -0.067 0.000 1.060 268 V CA 2.620 64.874 62.300 -0.077 0.000 1.030 268 V CB -0.632 31.160 31.823 -0.052 0.000 0.643 268 V HN 0.908 nan 8.190 nan 0.000 0.445 269 R N -0.245 120.221 120.500 -0.056 0.000 2.120 269 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 269 R C 2.087 178.357 176.300 -0.049 0.000 1.123 269 R CA 1.452 57.529 56.100 -0.039 0.000 0.975 269 R CB -0.629 29.650 30.300 -0.035 0.000 0.866 269 R HN 0.554 nan 8.270 nan 0.000 0.446 270 L N -0.234 120.938 121.223 -0.084 0.000 2.023 270 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 270 L C 1.396 178.212 176.870 -0.090 0.000 1.073 270 L CA 1.772 56.559 54.840 -0.089 0.000 0.745 270 L CB -0.430 41.558 42.059 -0.117 0.000 0.900 270 L HN 0.295 nan 8.230 nan 0.000 0.435 271 D N -0.098 120.212 120.400 -0.150 0.000 2.149 271 D HA -0.258 4.382 4.640 -0.000 0.000 0.194 271 D C 1.940 178.210 176.300 -0.049 0.000 1.001 271 D CA 1.552 55.455 54.000 -0.162 0.000 0.849 271 D CB -0.003 40.693 40.800 -0.173 0.000 0.939 271 D HN 0.498 nan 8.370 nan 0.000 0.449 272 E N 0.082 120.273 120.200 -0.016 0.000 2.051 272 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 272 E C 2.349 179.016 176.600 0.112 0.000 0.991 272 E CA 0.791 57.224 56.400 0.055 0.000 0.799 272 E CB -0.076 29.653 29.700 0.048 0.000 0.748 272 E HN 0.301 nan 8.360 nan 0.000 0.449 273 M N 0.080 119.707 119.600 0.046 0.000 2.080 273 M HA -0.195 4.285 4.480 -0.000 0.000 0.260 273 M C 2.289 178.560 176.300 -0.048 0.000 1.068 273 M CA 1.077 56.377 55.300 -0.000 0.000 1.109 273 M CB -0.334 32.250 32.600 -0.028 0.000 1.342 273 M HN 0.184 nan 8.290 nan 0.000 0.405 274 C N 1.169 120.480 119.300 0.019 0.000 2.526 274 C HA 0.209 4.669 4.460 -0.000 0.000 0.286 274 C C 1.373 176.418 174.990 0.091 0.000 1.416 274 C CA 0.122 59.175 59.018 0.058 0.000 1.671 274 C CB -2.249 25.580 27.740 0.148 0.000 1.650 274 C HN 0.848 nan 8.230 nan 0.000 0.590 275 G N 0.376 109.287 108.800 0.186 0.000 2.374 275 G HA2 0.209 4.169 3.960 -0.000 0.000 0.289 275 G HA3 0.209 4.169 3.960 -0.000 0.000 0.289 275 G C 0.858 175.854 174.900 0.159 0.000 1.004 275 G CA 0.374 45.709 45.100 0.393 0.000 1.292 275 G HN 1.496 nan 8.290 nan 0.000 0.502 276 G N -1.586 107.260 108.800 0.076 0.000 2.213 276 G HA2 0.478 4.438 3.960 -0.000 0.000 0.226 276 G HA3 0.478 4.438 3.960 -0.000 0.000 0.226 276 G C 1.483 176.343 174.900 -0.067 0.000 0.992 276 G CA 0.749 45.847 45.100 -0.003 0.000 0.632 276 G HN 3.119 nan 8.290 nan 0.000 0.511 277 G N -1.228 107.524 108.800 -0.079 0.000 2.343 277 G HA2 0.336 4.296 3.960 -0.000 0.000 0.562 277 G HA3 0.336 4.296 3.960 -0.000 0.000 0.562 277 G C -0.441 174.462 174.900 0.005 0.000 1.269 277 G CA -0.397 44.632 45.100 -0.119 0.000 1.011 277 G HN 0.914 nan 8.290 nan 0.000 0.498 278 F N 0.227 120.131 119.950 -0.077 0.000 2.404 278 F HA 0.545 5.072 4.527 -0.000 0.000 0.345 278 F C 0.798 176.586 175.800 -0.021 0.000 1.110 278 F CA -0.829 57.159 58.000 -0.020 0.000 1.130 278 F CB 0.952 40.037 39.000 0.142 0.000 1.129 278 F HN 0.252 nan 8.300 nan 0.000 0.500 279 F N 2.868 122.975 119.950 0.261 0.000 2.529 279 F HA 0.034 4.561 4.527 -0.000 0.000 0.365 279 F C 1.617 177.515 175.800 0.163 0.000 1.102 279 F CA -0.047 58.053 58.000 0.166 0.000 1.271 279 F CB 0.697 39.765 39.000 0.114 0.000 1.120 279 F HN 0.540 nan 8.300 nan 0.000 0.579 280 K N 1.157 121.746 120.400 0.316 0.000 2.044 280 K HA -0.183 4.137 4.320 -0.000 0.000 0.210 280 K C -0.011 176.706 176.600 0.195 0.000 1.049 280 K CA 1.530 57.946 56.287 0.214 0.000 0.927 280 K CB -0.023 32.564 32.500 0.146 0.000 0.713 280 K HN 0.550 nan 8.250 nan 0.000 0.443 281 D N 1.579 122.087 120.400 0.179 0.000 2.483 281 D HA 0.078 4.718 4.640 -0.000 0.000 0.220 281 D C -0.711 175.661 176.300 0.121 0.000 1.173 281 D CA 0.209 54.277 54.000 0.113 0.000 0.964 281 D CB 0.797 41.628 40.800 0.052 0.000 1.046 281 D HN 0.301 nan 8.370 nan 0.000 0.517 282 S N 0.674 116.458 115.700 0.140 0.000 2.595 282 S HA 0.456 4.926 4.470 -0.000 0.000 0.270 282 S C -1.299 173.363 174.600 0.103 0.000 1.145 282 S CA -1.004 57.268 58.200 0.120 0.000 0.825 282 S CB 1.340 64.647 63.200 0.179 0.000 1.107 282 S HN 0.031 nan 8.310 nan 0.000 0.461 283 I N 2.233 122.847 120.570 0.073 0.000 2.354 283 I HA 0.487 4.657 4.170 -0.000 0.000 0.292 283 I C -0.720 175.394 176.117 -0.006 0.000 0.989 283 I CA -1.073 60.287 61.300 0.100 0.000 1.188 283 I CB 1.372 39.423 38.000 0.086 0.000 1.342 283 I HN 0.636 nan 8.210 nan 0.000 0.457 284 I N 7.136 127.670 120.570 -0.060 0.000 2.404 284 I HA 0.402 4.572 4.170 -0.000 0.000 0.293 284 I C -0.373 175.687 176.117 -0.094 0.000 0.992 284 I CA -0.951 60.206 61.300 -0.238 0.000 1.149 284 I CB 1.736 39.371 38.000 -0.609 0.000 1.315 284 I HN 0.309 nan 8.210 nan 0.000 0.446 285 L N 5.925 127.092 121.223 -0.092 0.000 2.349 285 L HA 0.794 5.134 4.340 -0.000 0.000 0.278 285 L C -0.313 176.521 176.870 -0.060 0.000 0.996 285 L CA -0.171 54.648 54.840 -0.034 0.000 0.825 285 L CB 1.497 43.542 42.059 -0.023 0.000 1.243 285 L HN 0.720 nan 8.230 nan 0.000 0.412 286 A N 3.443 126.236 122.820 -0.045 0.000 2.267 286 A HA 0.762 5.082 4.320 -0.000 0.000 0.315 286 A C -0.428 177.140 177.584 -0.027 0.000 1.297 286 A CA -0.376 51.633 52.037 -0.046 0.000 0.865 286 A CB 0.434 19.404 19.000 -0.050 0.000 1.165 286 A HN 0.665 nan 8.150 nan 0.000 0.513 287 T N 1.295 115.823 114.554 -0.043 0.000 2.797 287 T HA 0.781 5.131 4.350 -0.000 0.000 0.279 287 T C 0.149 174.823 174.700 -0.044 0.000 0.991 287 T CA -0.124 61.950 62.100 -0.043 0.000 0.979 287 T CB 1.791 70.614 68.868 -0.076 0.000 0.943 287 T HN 1.286 nan 8.240 nan 0.000 0.444 288 G N 0.641 109.424 108.800 -0.027 0.000 2.667 288 G HA2 0.627 4.587 3.960 -0.000 0.000 0.294 288 G HA3 0.627 4.587 3.960 -0.000 0.000 0.294 288 G C -1.025 173.875 174.900 -0.001 0.000 1.467 288 G CA -0.721 44.355 45.100 -0.040 0.000 0.852 288 G HN 0.916 nan 8.290 nan 0.000 0.521 289 A N 0.812 123.641 122.820 0.014 0.000 2.462 289 A HA 0.605 4.925 4.320 -0.000 0.000 0.243 289 A C 1.142 178.842 177.584 0.193 0.000 1.076 289 A CA 0.793 52.927 52.037 0.162 0.000 0.773 289 A CB 0.193 19.414 19.000 0.368 0.000 1.010 289 A HN 1.926 nan 8.150 nan 0.000 0.493 290 T N 1.183 115.854 114.554 0.195 0.000 2.723 290 T HA 0.283 4.633 4.350 -0.000 0.000 0.260 290 T C 1.536 176.391 174.700 0.258 0.000 1.019 290 T CA 2.240 64.444 62.100 0.173 0.000 1.155 290 T CB -0.558 68.387 68.868 0.128 0.000 1.024 290 T HN 2.446 nan 8.240 nan 0.000 0.491 291 G N 3.143 112.070 108.800 0.211 0.000 2.213 291 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.236 291 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.236 291 G C 0.965 175.993 174.900 0.214 0.000 0.991 291 G CA 0.738 46.005 45.100 0.277 0.000 0.629 291 G HN 1.460 nan 8.290 nan 0.000 0.517 292 T N -0.803 113.752 114.554 0.001 0.000 3.160 292 T HA 0.412 4.761 4.350 -0.000 0.000 0.257 292 T C 2.083 176.852 174.700 0.114 0.000 1.147 292 T CA 1.416 63.435 62.100 -0.134 0.000 1.064 292 T CB 0.065 68.761 68.868 -0.288 0.000 0.949 292 T HN 2.277 nan 8.240 nan 0.000 0.526 293 G N 1.266 110.141 108.800 0.126 0.000 2.255 293 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 293 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 293 G C 0.451 175.368 174.900 0.028 0.000 1.083 293 G CA 0.178 45.346 45.100 0.113 0.000 0.826 293 G HN 0.507 nan 8.290 nan 0.000 0.493 294 K N -0.194 120.233 120.400 0.045 0.000 1.980 294 K HA 0.078 4.398 4.320 -0.000 0.000 0.208 294 K C 2.609 179.228 176.600 0.030 0.000 1.043 294 K CA 1.824 58.123 56.287 0.019 0.000 0.938 294 K CB -0.641 31.884 32.500 0.041 0.000 0.724 294 K HN 0.240 nan 8.250 nan 0.000 0.438 295 T N 1.876 116.488 114.554 0.097 0.000 2.882 295 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 295 T C 1.525 176.293 174.700 0.112 0.000 1.104 295 T CA 1.304 63.501 62.100 0.161 0.000 1.118 295 T CB -0.261 68.756 68.868 0.249 0.000 0.831 295 T HN 0.090 nan 8.240 nan 0.000 0.529 296 L N 0.603 121.767 121.223 -0.098 0.000 2.022 296 L HA 0.161 4.501 4.340 -0.000 0.000 0.204 296 L C 2.172 178.889 176.870 -0.255 0.000 1.076 296 L CA 1.441 55.963 54.840 -0.530 0.000 0.749 296 L CB -0.742 40.886 42.059 -0.718 0.000 0.903 296 L HN 0.183 nan 8.230 nan 0.000 0.439 297 L N -0.992 120.137 121.223 -0.156 0.000 2.021 297 L HA -0.294 4.046 4.340 -0.000 0.000 0.215 297 L C 2.492 179.398 176.870 0.060 0.000 1.074 297 L CA 1.585 56.389 54.840 -0.060 0.000 0.760 297 L CB -0.939 41.087 42.059 -0.055 0.000 0.889 297 L HN 0.203 nan 8.230 nan 0.000 0.433 298 V N -0.654 119.299 119.914 0.065 0.000 2.233 298 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 298 V C 2.594 178.839 176.094 0.251 0.000 1.050 298 V CA 2.212 64.598 62.300 0.143 0.000 1.010 298 V CB -0.522 31.376 31.823 0.124 0.000 0.637 298 V HN 0.409 nan 8.190 nan 0.000 0.444 299 S N -0.627 115.232 115.700 0.265 0.000 2.372 299 S HA -0.336 4.133 4.470 -0.000 0.000 0.227 299 S C 2.111 176.922 174.600 0.351 0.000 1.044 299 S CA 2.288 60.755 58.200 0.444 0.000 1.050 299 S CB -0.453 62.999 63.200 0.421 0.000 0.901 299 S HN 0.467 nan 8.310 nan 0.000 0.447 300 R N 0.527 121.134 120.500 0.180 0.000 2.075 300 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 300 R C 1.896 178.289 176.300 0.155 0.000 1.126 300 R CA 1.342 57.514 56.100 0.120 0.000 0.963 300 R CB -0.738 29.567 30.300 0.008 0.000 0.858 300 R HN 0.483 nan 8.270 nan 0.000 0.435 301 F N -0.710 119.266 119.950 0.043 0.000 2.293 301 F HA -0.043 4.483 4.527 -0.000 0.000 0.300 301 F C 1.489 177.320 175.800 0.053 0.000 1.086 301 F CA 0.874 58.904 58.000 0.050 0.000 1.375 301 F CB 0.187 39.248 39.000 0.102 0.000 1.045 301 F HN -0.146 nan 8.300 nan 0.000 0.516 302 V N 0.078 120.114 119.914 0.203 0.000 3.235 302 V HA -0.110 4.010 4.120 -0.000 0.000 0.259 302 V C 2.141 178.231 176.094 -0.006 0.000 1.133 302 V CA 1.413 63.751 62.300 0.062 0.000 1.128 302 V CB -0.073 31.789 31.823 0.065 0.000 0.757 302 V HN 0.405 nan 8.190 nan 0.000 0.469 303 E N 0.609 120.854 120.200 0.074 0.000 2.086 303 E HA -0.190 4.159 4.350 -0.000 0.000 0.190 303 E C 2.005 178.606 176.600 0.002 0.000 0.975 303 E CA 0.724 57.178 56.400 0.090 0.000 0.813 303 E CB -0.148 29.660 29.700 0.181 0.000 0.768 303 E HN 0.578 nan 8.360 nan 0.000 0.457 304 N N 0.820 119.490 118.700 -0.051 0.000 2.364 304 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 304 N C 1.134 176.566 175.510 -0.131 0.000 1.022 304 N CA 1.083 54.072 53.050 -0.101 0.000 0.883 304 N CB 0.013 38.408 38.487 -0.153 0.000 0.965 304 N HN 0.151 nan 8.380 nan 0.000 0.438 305 A N -0.887 121.837 122.820 -0.160 0.000 2.302 305 A HA 0.184 4.503 4.320 -0.000 0.000 0.219 305 A C 1.717 179.258 177.584 -0.071 0.000 1.243 305 A CA -0.187 51.765 52.037 -0.141 0.000 0.856 305 A CB -0.339 18.554 19.000 -0.179 0.000 0.893 305 A HN 0.505 nan 8.150 nan 0.000 0.491 306 C N -2.818 116.453 119.300 -0.048 0.000 3.095 306 C HA 0.378 4.838 4.460 -0.000 0.000 0.472 306 C C 2.804 177.787 174.990 -0.012 0.000 1.348 306 C CA 0.393 59.400 59.018 -0.019 0.000 2.206 306 C CB -0.347 27.393 27.740 -0.000 0.000 3.088 306 C HN 0.685 nan 8.230 nan 0.000 0.599 307 A N 0.945 123.756 122.820 -0.016 0.000 2.121 307 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 307 A C 1.466 179.037 177.584 -0.022 0.000 1.154 307 A CA 1.371 53.401 52.037 -0.012 0.000 0.679 307 A CB -0.401 18.591 19.000 -0.014 0.000 0.795 307 A HN 0.661 nan 8.150 nan 0.000 0.458 308 N N 0.046 118.725 118.700 -0.034 0.000 2.251 308 N HA 0.070 4.810 4.740 -0.000 0.000 0.217 308 N C -0.692 174.798 175.510 -0.033 0.000 1.124 308 N CA 0.022 53.050 53.050 -0.037 0.000 0.843 308 N CB 0.140 38.597 38.487 -0.050 0.000 1.024 308 N HN 0.383 nan 8.380 nan 0.000 0.501 309 K N 1.157 121.540 120.400 -0.027 0.000 3.356 309 K HA -0.215 4.104 4.320 -0.000 0.000 0.270 309 K C -0.687 175.889 176.600 -0.039 0.000 0.901 309 K CA 0.840 57.110 56.287 -0.027 0.000 0.688 309 K CB -1.075 31.411 32.500 -0.024 0.000 1.460 309 K HN 0.444 nan 8.250 nan 0.000 0.458 310 E N 0.402 120.578 120.200 -0.041 0.000 2.244 310 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 310 E C -0.244 176.334 176.600 -0.037 0.000 0.914 310 E CA -1.113 55.259 56.400 -0.047 0.000 0.794 310 E CB 1.584 31.257 29.700 -0.046 0.000 1.210 310 E HN 0.125 nan 8.360 nan 0.000 0.414 311 R N 0.654 121.122 120.500 -0.054 0.000 2.410 311 R HA 0.624 4.964 4.340 -0.000 0.000 0.288 311 R C -0.724 175.659 176.300 0.137 0.000 1.051 311 R CA -0.336 55.760 56.100 -0.006 0.000 1.021 311 R CB 1.236 31.355 30.300 -0.302 0.000 1.032 311 R HN 0.485 nan 8.270 nan 0.000 0.481 312 A N 3.673 126.655 122.820 0.270 0.000 2.520 312 A HA 0.551 4.870 4.320 -0.000 0.000 0.298 312 A C -0.830 176.794 177.584 0.067 0.000 1.051 312 A CA -0.727 51.403 52.037 0.156 0.000 0.690 312 A CB 1.244 20.270 19.000 0.043 0.000 1.281 312 A HN 0.625 nan 8.150 nan 0.000 0.402 313 I N 1.753 122.321 120.570 -0.003 0.000 2.493 313 I HA 0.495 4.665 4.170 -0.000 0.000 0.298 313 I C -1.020 174.927 176.117 -0.283 0.000 0.998 313 I CA -0.946 60.194 61.300 -0.266 0.000 1.137 313 I CB 1.927 39.742 38.000 -0.309 0.000 1.310 313 I HN 0.548 nan 8.210 nan 0.000 0.445 314 L N 6.533 127.487 121.223 -0.449 0.000 2.342 314 L HA 0.497 4.837 4.340 -0.000 0.000 0.276 314 L C -1.518 175.127 176.870 -0.376 0.000 0.997 314 L CA -0.028 54.654 54.840 -0.264 0.000 0.838 314 L CB 0.831 42.788 42.059 -0.170 0.000 1.224 314 L HN 0.273 nan 8.230 nan 0.000 0.416 315 F N 5.179 125.168 119.950 0.066 0.000 2.351 315 F HA 0.640 5.167 4.527 -0.000 0.000 0.362 315 F C 0.876 176.781 175.800 0.175 0.000 1.131 315 F CA -0.356 57.714 58.000 0.116 0.000 1.187 315 F CB 0.842 40.038 39.000 0.327 0.000 1.434 315 F HN 0.658 nan 8.300 nan 0.000 0.553 316 A N 2.426 125.303 122.820 0.094 0.000 2.301 316 A HA 0.484 4.803 4.320 -0.000 0.000 0.298 316 A C -0.649 176.893 177.584 -0.070 0.000 1.185 316 A CA -0.255 51.855 52.037 0.122 0.000 0.830 316 A CB 0.246 19.282 19.000 0.061 0.000 1.112 316 A HN 0.724 nan 8.150 nan 0.000 0.508 317 Y N 0.248 120.601 120.300 0.088 0.000 2.500 317 Y HA 0.180 4.730 4.550 -0.000 0.000 0.246 317 Y C 1.524 177.472 175.900 0.080 0.000 1.146 317 Y CA 0.070 58.211 58.100 0.068 0.000 1.230 317 Y CB 0.606 39.103 38.460 0.061 0.000 1.214 317 Y HN 0.813 nan 8.280 nan 0.000 0.526 318 E N -0.052 120.259 120.200 0.185 0.000 2.306 318 E HA 0.109 4.459 4.350 -0.000 0.000 0.201 318 E C -0.020 176.639 176.600 0.099 0.000 0.874 318 E CA 0.268 56.762 56.400 0.157 0.000 0.972 318 E CB 0.622 30.415 29.700 0.155 0.000 0.957 318 E HN 0.374 nan 8.360 nan 0.000 0.492 319 E N 1.108 121.346 120.200 0.064 0.000 2.249 319 E HA 0.313 4.663 4.350 -0.000 0.000 0.263 319 E C -0.545 176.037 176.600 -0.030 0.000 0.950 319 E CA -0.548 55.871 56.400 0.032 0.000 0.827 319 E CB 1.845 31.580 29.700 0.059 0.000 1.220 319 E HN -0.046 nan 8.360 nan 0.000 0.411 320 S N 0.435 116.114 115.700 -0.035 0.000 2.645 320 S HA 0.152 4.622 4.470 -0.000 0.000 0.266 320 S C 1.034 175.611 174.600 -0.038 0.000 1.258 320 S CA -0.473 57.688 58.200 -0.066 0.000 0.990 320 S CB 0.965 64.134 63.200 -0.051 0.000 0.967 320 S HN 0.555 nan 8.310 nan 0.000 0.556 321 R N 1.177 121.647 120.500 -0.050 0.000 2.082 321 R HA -0.084 4.256 4.340 -0.000 0.000 0.234 321 R C 2.633 178.934 176.300 0.001 0.000 1.136 321 R CA 1.499 57.583 56.100 -0.026 0.000 0.935 321 R CB -1.405 28.870 30.300 -0.042 0.000 0.842 321 R HN 0.780 nan 8.270 nan 0.000 0.430 322 A N 1.488 124.299 122.820 -0.015 0.000 1.883 322 A HA -0.267 4.052 4.320 -0.000 0.000 0.217 322 A C 2.244 179.818 177.584 -0.017 0.000 1.186 322 A CA 1.654 53.681 52.037 -0.015 0.000 0.624 322 A CB -0.647 18.338 19.000 -0.025 0.000 0.822 322 A HN 0.447 nan 8.150 nan 0.000 0.444 323 Q N -0.565 119.225 119.800 -0.018 0.000 2.061 323 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 323 Q C 2.089 178.074 176.000 -0.025 0.000 0.984 323 Q CA 1.526 57.313 55.803 -0.026 0.000 0.846 323 Q CB -0.244 28.484 28.738 -0.016 0.000 0.902 323 Q HN 0.681 nan 8.270 nan 0.000 0.421 324 L N 0.364 121.599 121.223 0.020 0.000 2.013 324 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 324 L C 2.488 179.371 176.870 0.022 0.000 1.073 324 L CA 1.197 56.078 54.840 0.068 0.000 0.753 324 L CB -0.409 41.748 42.059 0.164 0.000 0.890 324 L HN 0.380 nan 8.230 nan 0.000 0.432 325 L N -0.813 120.439 121.223 0.048 0.000 2.043 325 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 325 L C 2.801 179.631 176.870 -0.068 0.000 1.075 325 L CA 1.329 56.179 54.840 0.016 0.000 0.752 325 L CB -0.463 41.616 42.059 0.034 0.000 0.891 325 L HN 0.286 nan 8.230 nan 0.000 0.432 326 R N 0.366 120.821 120.500 -0.076 0.000 2.126 326 R HA -0.192 4.148 4.340 -0.000 0.000 0.224 326 R C 2.094 178.283 176.300 -0.184 0.000 1.128 326 R CA 2.126 58.165 56.100 -0.100 0.000 0.895 326 R CB -0.335 29.906 30.300 -0.098 0.000 0.817 326 R HN 0.357 nan 8.270 nan 0.000 0.435 327 N N 0.550 119.084 118.700 -0.276 0.000 2.247 327 N HA -0.227 4.513 4.740 -0.000 0.000 0.189 327 N C 1.461 176.534 175.510 -0.730 0.000 1.009 327 N CA 1.490 54.193 53.050 -0.577 0.000 0.872 327 N CB -0.356 37.799 38.487 -0.554 0.000 0.980 327 N HN 0.411 nan 8.380 nan 0.000 0.436 328 A N 0.422 123.010 122.820 -0.388 0.000 1.840 328 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 328 A C 2.102 179.549 177.584 -0.229 0.000 1.198 328 A CA 0.845 52.663 52.037 -0.365 0.000 0.608 328 A CB -1.093 17.380 19.000 -0.878 0.000 0.839 328 A HN 0.313 nan 8.150 nan 0.000 0.443 329 Y N 1.329 121.456 120.300 -0.288 0.000 2.384 329 Y HA -0.141 4.409 4.550 -0.000 0.000 0.289 329 Y C 2.365 178.178 175.900 -0.144 0.000 1.152 329 Y CA 1.456 59.455 58.100 -0.169 0.000 1.258 329 Y CB -0.135 38.248 38.460 -0.127 0.000 0.979 329 Y HN 0.279 nan 8.280 nan 0.000 0.549 330 S N -1.191 114.397 115.700 -0.186 0.000 2.561 330 S HA -0.085 4.385 4.470 -0.000 0.000 0.225 330 S C 0.782 175.256 174.600 -0.210 0.000 0.977 330 S CA 0.421 58.467 58.200 -0.256 0.000 0.926 330 S CB -0.266 62.710 63.200 -0.374 0.000 0.769 330 S HN 0.573 nan 8.310 nan 0.000 0.533 331 W N 0.786 122.010 121.300 -0.127 0.000 3.005 331 W HA 0.432 5.092 4.660 -0.000 0.000 0.374 331 W C 1.415 177.854 176.519 -0.133 0.000 1.076 331 W CA 0.190 57.474 57.345 -0.102 0.000 1.794 331 W CB -0.385 29.030 29.460 -0.075 0.000 1.113 331 W HN 0.407 nan 8.180 nan 0.000 0.584 332 G N 1.537 110.317 108.800 -0.033 0.000 3.626 332 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.241 332 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.241 332 G C 0.501 175.320 174.900 -0.136 0.000 1.824 332 G CA -0.152 44.874 45.100 -0.123 0.000 1.511 332 G HN 0.035 nan 8.290 nan 0.000 0.600 333 M N 1.693 121.282 119.600 -0.019 0.000 2.187 333 M HA 0.154 4.634 4.480 -0.000 0.000 0.448 333 M C -0.718 175.591 176.300 0.015 0.000 1.308 333 M CA 1.091 56.408 55.300 0.029 0.000 0.727 333 M CB -0.203 32.448 32.600 0.085 0.000 1.947 333 M HN 0.398 nan 8.290 nan 0.000 0.535 334 D N 3.921 124.407 120.400 0.143 0.000 2.317 334 D HA 0.300 4.940 4.640 -0.000 0.000 0.234 334 D C -0.264 176.259 176.300 0.372 0.000 1.112 334 D CA -0.328 53.817 54.000 0.241 0.000 0.840 334 D CB 0.500 41.438 40.800 0.230 0.000 1.078 334 D HN 0.716 nan 8.370 nan 0.000 0.486 335 F N 1.512 121.535 119.950 0.121 0.000 2.698 335 F HA -0.016 4.511 4.527 -0.000 0.000 0.295 335 F C 2.209 178.038 175.800 0.048 0.000 1.124 335 F CA -0.421 57.623 58.000 0.074 0.000 1.426 335 F CB 0.727 39.766 39.000 0.065 0.000 1.120 335 F HN 0.356 nan 8.300 nan 0.000 0.583 336 E N 0.993 121.333 120.200 0.233 0.000 2.023 336 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 336 E C 1.859 178.519 176.600 0.101 0.000 1.003 336 E CA 1.482 57.954 56.400 0.120 0.000 0.809 336 E CB -0.244 29.497 29.700 0.068 0.000 0.755 336 E HN 0.308 nan 8.360 nan 0.000 0.449 337 E N 0.542 120.811 120.200 0.115 0.000 2.021 337 E HA -0.185 4.164 4.350 -0.000 0.000 0.200 337 E C 2.047 178.692 176.600 0.076 0.000 1.015 337 E CA 1.531 57.984 56.400 0.088 0.000 0.824 337 E CB -0.267 29.490 29.700 0.096 0.000 0.762 337 E HN 0.111 nan 8.360 nan 0.000 0.454 338 M N 0.640 120.294 119.600 0.090 0.000 2.153 338 M HA -0.242 4.238 4.480 -0.000 0.000 0.253 338 M C 1.930 178.245 176.300 0.026 0.000 1.081 338 M CA 1.768 57.096 55.300 0.045 0.000 1.076 338 M CB -1.367 31.234 32.600 0.002 0.000 1.350 338 M HN 0.237 nan 8.290 nan 0.000 0.401 339 E N 0.189 120.404 120.200 0.024 0.000 2.015 339 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 339 E C 2.193 178.814 176.600 0.035 0.000 0.991 339 E CA 1.096 57.502 56.400 0.010 0.000 0.802 339 E CB -0.219 29.483 29.700 0.005 0.000 0.759 339 E HN 0.561 nan 8.360 nan 0.000 0.447 340 R N 1.175 121.696 120.500 0.036 0.000 2.122 340 R HA -0.190 4.150 4.340 -0.000 0.000 0.236 340 R C 2.351 178.676 176.300 0.042 0.000 1.129 340 R CA 1.630 57.752 56.100 0.036 0.000 0.925 340 R CB -0.466 29.854 30.300 0.032 0.000 0.850 340 R HN 0.235 nan 8.270 nan 0.000 0.431 341 Q N 0.754 120.579 119.800 0.042 0.000 2.585 341 Q HA -0.146 4.194 4.340 -0.000 0.000 0.219 341 Q C -0.266 175.764 176.000 0.049 0.000 0.984 341 Q CA 0.402 56.228 55.803 0.038 0.000 0.915 341 Q CB -0.433 28.326 28.738 0.035 0.000 0.967 341 Q HN 0.316 nan 8.270 nan 0.000 0.530 342 N N -0.598 118.150 118.700 0.081 0.000 2.699 342 N HA -0.208 4.532 4.740 -0.000 0.000 0.256 342 N C -0.296 175.307 175.510 0.155 0.000 0.993 342 N CA 0.434 53.573 53.050 0.148 0.000 0.759 342 N CB -0.731 37.820 38.487 0.106 0.000 0.906 342 N HN 0.297 nan 8.380 nan 0.000 0.541 343 L N -1.778 119.552 121.223 0.178 0.000 2.948 343 L HA 0.294 4.634 4.340 -0.000 0.000 0.259 343 L C -0.054 176.972 176.870 0.260 0.000 1.136 343 L CA -0.049 54.871 54.840 0.134 0.000 0.959 343 L CB 0.434 42.518 42.059 0.042 0.000 1.370 343 L HN 0.226 nan 8.230 nan 0.000 0.552 344 L N 1.336 122.682 121.223 0.204 0.000 2.409 344 L HA 0.496 4.836 4.340 -0.000 0.000 0.272 344 L C -1.359 175.406 176.870 -0.175 0.000 0.980 344 L CA -0.121 54.724 54.840 0.009 0.000 0.826 344 L CB 1.953 43.929 42.059 -0.137 0.000 1.268 344 L HN 0.020 nan 8.230 nan 0.000 0.407 345 K N 5.647 125.779 120.400 -0.447 0.000 2.426 345 K HA 0.614 4.934 4.320 -0.000 0.000 0.254 345 K C -1.188 175.109 176.600 -0.505 0.000 0.936 345 K CA -0.578 55.338 56.287 -0.618 0.000 0.801 345 K CB 1.877 33.636 32.500 -1.235 0.000 1.139 345 K HN 0.636 nan 8.250 nan 0.000 0.424 346 I N 3.944 124.287 120.570 -0.378 0.000 2.498 346 I HA 0.206 4.376 4.170 -0.000 0.000 0.301 346 I C 0.683 176.608 176.117 -0.319 0.000 0.984 346 I CA -0.647 60.451 61.300 -0.336 0.000 1.204 346 I CB 1.857 39.728 38.000 -0.215 0.000 1.362 346 I HN 0.449 nan 8.210 nan 0.000 0.471 347 V N 1.630 121.344 119.914 -0.334 0.000 3.050 347 V HA 0.130 4.250 4.120 -0.000 0.000 0.223 347 V C 0.028 176.016 176.094 -0.176 0.000 1.162 347 V CA -0.037 62.122 62.300 -0.235 0.000 1.247 347 V CB 0.220 31.922 31.823 -0.202 0.000 1.125 347 V HN 0.963 nan 8.190 nan 0.000 0.508 348 C N 1.101 120.272 119.300 -0.214 0.000 1.042 348 C HA 0.296 4.755 4.460 -0.000 0.000 0.168 348 C C 0.122 174.949 174.990 -0.271 0.000 0.436 348 C CA -0.521 58.343 59.018 -0.256 0.000 2.417 348 C CB -2.196 25.431 27.740 -0.189 0.000 2.598 348 C HN 1.272 nan 8.230 nan 0.000 0.793 349 A N 4.091 126.684 122.820 -0.379 0.000 2.582 349 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 349 A C -1.046 176.462 177.584 -0.127 0.000 1.059 349 A CA -0.586 51.319 52.037 -0.221 0.000 0.705 349 A CB 0.725 19.689 19.000 -0.060 0.000 1.279 349 A HN 0.952 nan 8.150 nan 0.000 0.404 350 Y N 1.588 121.924 120.300 0.060 0.000 2.411 350 Y HA 0.243 4.793 4.550 -0.000 0.000 0.333 350 Y C -1.352 174.681 175.900 0.222 0.000 1.186 350 Y CA -1.207 56.962 58.100 0.114 0.000 1.381 350 Y CB 1.028 39.537 38.460 0.082 0.000 1.273 350 Y HN 0.538 nan 8.280 nan 0.000 0.546 351 P HA -0.129 nan 4.420 nan 0.000 0.223 351 P C 0.566 178.053 177.300 0.312 0.000 1.151 351 P CA 1.235 64.529 63.100 0.324 0.000 0.787 351 P CB 0.315 32.106 31.700 0.153 0.000 0.788 352 E N -0.905 119.427 120.200 0.220 0.000 2.482 352 E HA -0.048 4.302 4.350 -0.000 0.000 0.196 352 E C 1.381 178.054 176.600 0.122 0.000 1.047 352 E CA 0.591 57.058 56.400 0.113 0.000 0.869 352 E CB -0.801 28.900 29.700 0.000 0.000 0.836 352 E HN 0.266 nan 8.360 nan 0.000 0.520 353 S N -1.208 114.615 115.700 0.205 0.000 2.710 353 S HA 0.597 5.067 4.470 -0.000 0.000 0.224 353 S C 0.631 175.250 174.600 0.033 0.000 0.948 353 S CA 0.062 58.345 58.200 0.139 0.000 0.949 353 S CB 0.140 63.453 63.200 0.190 0.000 0.778 353 S HN 0.167 nan 8.310 nan 0.000 0.498 354 A N -0.293 122.528 122.820 0.002 0.000 2.696 354 A HA 0.747 5.067 4.320 -0.000 0.000 0.296 354 A C -0.348 177.179 177.584 -0.095 0.000 1.043 354 A CA -0.448 51.493 52.037 -0.161 0.000 0.574 354 A CB -0.119 18.567 19.000 -0.524 0.000 1.509 354 A HN 0.932 nan 8.150 nan 0.000 0.670 355 G N -1.563 107.144 108.800 -0.155 0.000 2.569 355 G HA2 0.582 4.542 3.960 -0.000 0.000 0.300 355 G HA3 0.582 4.542 3.960 -0.000 0.000 0.300 355 G C -0.006 174.892 174.900 -0.004 0.000 1.269 355 G CA -0.548 44.529 45.100 -0.038 0.000 0.959 355 G HN 0.739 nan 8.290 nan 0.000 0.478 356 L N 0.261 121.483 121.223 -0.001 0.000 2.349 356 L HA -0.049 4.290 4.340 -0.000 0.000 0.220 356 L C 2.800 179.720 176.870 0.082 0.000 1.130 356 L CA 1.952 56.756 54.840 -0.060 0.000 0.791 356 L CB -0.506 41.466 42.059 -0.145 0.000 0.918 356 L HN 0.886 nan 8.230 nan 0.000 0.444 357 E N -1.427 118.778 120.200 0.008 0.000 2.033 357 E HA -0.166 4.184 4.350 -0.000 0.000 0.189 357 E C 1.300 177.852 176.600 -0.080 0.000 0.979 357 E CA 1.073 57.438 56.400 -0.058 0.000 0.802 357 E CB -0.445 29.247 29.700 -0.012 0.000 0.763 357 E HN 0.379 nan 8.360 nan 0.000 0.449 358 D N 0.637 121.010 120.400 -0.045 0.000 2.144 358 D HA -0.163 4.477 4.640 -0.000 0.000 0.199 358 D C 1.988 178.270 176.300 -0.030 0.000 0.984 358 D CA 1.095 55.068 54.000 -0.046 0.000 0.834 358 D CB -0.288 40.447 40.800 -0.109 0.000 0.955 358 D HN 0.318 nan 8.370 nan 0.000 0.465 359 H N 0.947 120.050 119.070 0.055 0.000 2.256 359 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 359 H C 2.382 177.784 175.328 0.123 0.000 1.071 359 H CA 0.408 56.530 56.048 0.123 0.000 1.280 359 H CB -0.785 29.046 29.762 0.115 0.000 1.370 359 H HN 0.091 nan 8.280 nan 0.000 0.490 360 L N 1.092 122.503 121.223 0.313 0.000 2.151 360 L HA -0.302 4.038 4.340 -0.000 0.000 0.215 360 L C 2.403 179.182 176.870 -0.151 0.000 1.084 360 L CA 1.873 56.707 54.840 -0.011 0.000 0.764 360 L CB -0.417 41.508 42.059 -0.224 0.000 0.891 360 L HN 0.417 nan 8.230 nan 0.000 0.435 361 Q N -0.460 119.267 119.800 -0.121 0.000 2.096 361 Q HA -0.185 4.155 4.340 -0.000 0.000 0.197 361 Q C 2.247 178.304 176.000 0.096 0.000 0.964 361 Q CA 1.224 57.055 55.803 0.046 0.000 0.838 361 Q CB 0.104 28.979 28.738 0.229 0.000 0.906 361 Q HN 0.516 nan 8.270 nan 0.000 0.444 362 I N 1.222 121.859 120.570 0.113 0.000 2.208 362 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 362 I C 2.363 178.570 176.117 0.148 0.000 1.097 362 I CA 1.240 62.631 61.300 0.150 0.000 1.363 362 I CB -1.217 36.898 38.000 0.192 0.000 1.051 362 I HN 0.313 nan 8.210 nan 0.000 0.413 363 I N 0.890 121.489 120.570 0.048 0.000 2.060 363 I HA -0.315 3.855 4.170 -0.000 0.000 0.233 363 I C 2.663 178.791 176.117 0.018 0.000 1.054 363 I CA 1.448 62.684 61.300 -0.107 0.000 1.318 363 I CB -0.492 37.315 38.000 -0.321 0.000 1.054 363 I HN 0.152 nan 8.210 nan 0.000 0.395 364 K N 0.405 120.743 120.400 -0.104 0.000 2.032 364 K HA -0.292 4.028 4.320 -0.000 0.000 0.218 364 K C 2.329 178.942 176.600 0.022 0.000 1.054 364 K CA 2.330 58.474 56.287 -0.238 0.000 0.941 364 K CB -0.484 31.714 32.500 -0.504 0.000 0.720 364 K HN 0.234 nan 8.250 nan 0.000 0.449 365 S N 0.838 116.580 115.700 0.071 0.000 2.359 365 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 365 S C 1.972 176.679 174.600 0.179 0.000 1.039 365 S CA 1.973 60.254 58.200 0.135 0.000 1.042 365 S CB -0.224 63.065 63.200 0.148 0.000 0.915 365 S HN 0.301 nan 8.310 nan 0.000 0.439 366 E N 0.524 120.849 120.200 0.209 0.000 2.204 366 E HA -0.031 4.319 4.350 -0.000 0.000 0.195 366 E C 1.827 178.595 176.600 0.281 0.000 0.990 366 E CA 1.087 57.630 56.400 0.238 0.000 0.821 366 E CB -0.284 29.593 29.700 0.296 0.000 0.750 366 E HN 0.671 nan 8.360 nan 0.000 0.477 367 I N 0.830 121.589 120.570 0.316 0.000 2.179 367 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 367 I C 1.701 177.995 176.117 0.295 0.000 1.088 367 I CA 0.973 62.481 61.300 0.347 0.000 1.357 367 I CB -0.402 37.859 38.000 0.434 0.000 1.051 367 I HN 0.168 nan 8.210 nan 0.000 0.409 368 N N 0.937 119.799 118.700 0.269 0.000 2.364 368 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 368 N C 0.977 176.591 175.510 0.174 0.000 1.022 368 N CA 1.240 54.416 53.050 0.211 0.000 0.883 368 N CB -0.351 38.250 38.487 0.191 0.000 0.965 368 N HN 0.480 nan 8.380 nan 0.000 0.438 369 D N -1.180 119.340 120.400 0.200 0.000 2.350 369 D HA 0.019 4.659 4.640 -0.000 0.000 0.213 369 D C 0.658 177.113 176.300 0.258 0.000 1.031 369 D CA 0.117 54.230 54.000 0.190 0.000 0.861 369 D CB 0.087 40.993 40.800 0.176 0.000 0.926 369 D HN 0.193 nan 8.370 nan 0.000 0.520 370 F N 1.221 121.216 119.950 0.075 0.000 2.817 370 F HA 0.066 4.593 4.527 -0.000 0.000 0.333 370 F C -0.002 175.829 175.800 0.051 0.000 1.085 370 F CA -0.255 57.777 58.000 0.052 0.000 1.170 370 F CB 0.482 39.509 39.000 0.044 0.000 1.066 370 F HN -0.253 nan 8.300 nan 0.000 0.564 371 K N -0.198 120.285 120.400 0.140 0.000 3.012 371 K HA -0.229 4.091 4.320 -0.000 0.000 0.259 371 K C -2.514 174.121 176.600 0.057 0.000 0.989 371 K CA 0.600 56.928 56.287 0.068 0.000 0.728 371 K CB -3.299 29.196 32.500 -0.007 0.000 1.260 371 K HN 0.175 nan 8.250 nan 0.000 0.480 372 P HA -0.076 nan 4.420 nan 0.000 0.271 372 P C 0.626 177.982 177.300 0.093 0.000 1.197 372 P CA 1.064 64.267 63.100 0.171 0.000 0.777 372 P CB 0.625 32.476 31.700 0.252 0.000 0.827 373 A N 2.250 125.114 122.820 0.073 0.000 2.419 373 A HA 0.214 4.533 4.320 -0.000 0.000 0.233 373 A C 0.605 178.230 177.584 0.069 0.000 1.217 373 A CA 0.466 52.531 52.037 0.047 0.000 0.944 373 A CB 0.244 19.249 19.000 0.009 0.000 1.025 373 A HN 0.448 nan 8.150 nan 0.000 0.524 374 R N -1.293 119.265 120.500 0.097 0.000 2.707 374 R HA 0.736 5.076 4.340 -0.000 0.000 0.272 374 R C -1.955 174.459 176.300 0.190 0.000 1.011 374 R CA -0.475 55.712 56.100 0.146 0.000 0.893 374 R CB 1.947 32.271 30.300 0.041 0.000 1.233 374 R HN 0.208 nan 8.270 nan 0.000 0.464 375 I N 0.757 121.465 120.570 0.231 0.000 2.722 375 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 375 I C -1.521 174.630 176.117 0.057 0.000 1.267 375 I CA -0.493 60.912 61.300 0.175 0.000 1.036 375 I CB 2.248 40.359 38.000 0.186 0.000 1.281 375 I HN 0.798 nan 8.210 nan 0.000 0.423 376 A N 7.904 130.774 122.820 0.084 0.000 2.353 376 A HA 0.745 5.065 4.320 -0.000 0.000 0.299 376 A C -1.095 176.541 177.584 0.087 0.000 1.089 376 A CA -0.381 51.638 52.037 -0.031 0.000 0.736 376 A CB 0.982 20.023 19.000 0.070 0.000 1.195 376 A HN 0.587 nan 8.150 nan 0.000 0.447 377 I N 2.649 123.201 120.570 -0.029 0.000 2.337 377 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 377 I C -0.589 175.656 176.117 0.214 0.000 1.041 377 I CA -0.466 60.963 61.300 0.215 0.000 1.199 377 I CB 1.328 39.463 38.000 0.225 0.000 1.370 377 I HN 0.577 nan 8.210 nan 0.000 0.470 378 D N 5.831 126.396 120.400 0.275 0.000 2.383 378 D HA 0.082 4.722 4.640 -0.000 0.000 0.245 378 D C 0.052 176.500 176.300 0.247 0.000 1.263 378 D CA 0.824 54.962 54.000 0.230 0.000 0.936 378 D CB 0.476 41.409 40.800 0.222 0.000 1.053 378 D HN 0.556 nan 8.370 nan 0.000 0.507 379 S N 3.198 119.004 115.700 0.176 0.000 3.828 379 S HA -0.141 4.329 4.470 -0.000 0.000 0.722 379 S C 0.892 175.542 174.600 0.082 0.000 0.508 379 S CA -0.310 57.970 58.200 0.132 0.000 1.434 379 S CB -1.305 61.982 63.200 0.144 0.000 0.825 379 S HN 0.579 nan 8.310 nan 0.000 1.023 380 L N 3.404 124.706 121.223 0.133 0.000 2.072 380 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 380 L C 2.535 179.537 176.870 0.219 0.000 1.079 380 L CA 1.869 56.836 54.840 0.212 0.000 0.752 380 L CB -0.508 41.714 42.059 0.272 0.000 0.906 380 L HN 0.931 nan 8.230 nan 0.000 0.436 381 S N -0.482 115.266 115.700 0.080 0.000 2.507 381 S HA -0.078 4.392 4.470 -0.000 0.000 0.235 381 S C 1.849 176.384 174.600 -0.107 0.000 0.988 381 S CA 0.719 58.856 58.200 -0.104 0.000 0.944 381 S CB -0.192 62.959 63.200 -0.081 0.000 0.762 381 S HN 0.381 nan 8.310 nan 0.000 0.526 382 A N 1.454 124.257 122.820 -0.029 0.000 2.016 382 A HA 0.380 4.700 4.320 -0.000 0.000 0.217 382 A C 2.124 179.674 177.584 -0.058 0.000 1.162 382 A CA 0.524 52.559 52.037 -0.005 0.000 0.662 382 A CB -0.494 18.557 19.000 0.086 0.000 0.812 382 A HN 0.533 nan 8.150 nan 0.000 0.450 383 L N -1.010 120.147 121.223 -0.110 0.000 2.313 383 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 383 L C 2.448 179.253 176.870 -0.109 0.000 1.119 383 L CA 0.734 55.470 54.840 -0.172 0.000 0.809 383 L CB -0.185 41.702 42.059 -0.287 0.000 0.933 383 L HN 0.410 nan 8.230 nan 0.000 0.449 384 A N -0.349 122.283 122.820 -0.312 0.000 2.302 384 A HA 0.048 4.368 4.320 -0.000 0.000 0.219 384 A C 0.848 178.219 177.584 -0.355 0.000 1.243 384 A CA -0.192 51.421 52.037 -0.706 0.000 0.856 384 A CB -0.377 17.671 19.000 -1.586 0.000 0.893 384 A HN 0.190 nan 8.150 nan 0.000 0.491 385 R N -0.320 120.061 120.500 -0.199 0.000 2.404 385 R HA 0.307 4.646 4.340 -0.000 0.000 0.315 385 R C 1.466 177.709 176.300 -0.095 0.000 1.032 385 R CA 0.934 56.959 56.100 -0.123 0.000 0.992 385 R CB 0.093 30.355 30.300 -0.063 0.000 0.959 385 R HN 0.617 nan 8.270 nan 0.000 0.428 386 G N 2.117 110.862 108.800 -0.092 0.000 2.458 386 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.237 386 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.237 386 G C 0.342 175.206 174.900 -0.060 0.000 1.113 386 G CA 0.223 45.284 45.100 -0.065 0.000 0.655 386 G HN 0.477 nan 8.290 nan 0.000 0.513 387 V N 2.788 122.664 119.914 -0.064 0.000 2.963 387 V HA 0.474 4.594 4.120 -0.000 0.000 0.306 387 V C 1.530 177.602 176.094 -0.037 0.000 1.077 387 V CA 0.159 62.438 62.300 -0.034 0.000 1.124 387 V CB 1.315 33.135 31.823 -0.006 0.000 0.987 387 V HN 1.266 nan 8.190 nan 0.000 0.487 388 S N 3.052 118.750 115.700 -0.005 0.000 2.587 388 S HA -0.008 4.462 4.470 -0.000 0.000 0.260 388 S C 1.089 175.705 174.600 0.026 0.000 1.353 388 S CA 0.427 58.627 58.200 0.000 0.000 0.995 388 S CB 0.237 63.444 63.200 0.012 0.000 0.912 388 S HN 0.833 nan 8.310 nan 0.000 0.568 389 N N 1.667 120.379 118.700 0.020 0.000 2.051 389 N HA -0.182 4.558 4.740 -0.000 0.000 0.192 389 N C 1.315 176.898 175.510 0.122 0.000 1.049 389 N CA 1.584 54.667 53.050 0.055 0.000 0.845 389 N CB -0.606 37.901 38.487 0.032 0.000 1.031 389 N HN 0.683 nan 8.380 nan 0.000 0.425 390 N N 1.460 120.208 118.700 0.080 0.000 2.037 390 N HA -0.199 4.541 4.740 -0.000 0.000 0.196 390 N C 1.786 177.348 175.510 0.088 0.000 1.034 390 N CA 1.560 54.654 53.050 0.074 0.000 0.861 390 N CB -0.908 37.605 38.487 0.042 0.000 1.039 390 N HN 0.371 nan 8.380 nan 0.000 0.427 391 A N 0.749 123.621 122.820 0.086 0.000 1.948 391 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 391 A C 2.151 179.822 177.584 0.144 0.000 1.177 391 A CA 1.293 53.385 52.037 0.091 0.000 0.636 391 A CB -0.956 18.086 19.000 0.070 0.000 0.815 391 A HN 0.300 nan 8.150 nan 0.000 0.449 392 F N 0.452 120.409 119.950 0.012 0.000 2.051 392 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 392 F C 2.433 178.284 175.800 0.086 0.000 1.122 392 F CA 1.913 59.931 58.000 0.030 0.000 1.201 392 F CB -0.439 38.547 39.000 -0.025 0.000 0.978 392 F HN 0.118 nan 8.300 nan 0.000 0.472 393 R N -0.010 120.532 120.500 0.070 0.000 2.112 393 R HA -0.295 4.045 4.340 -0.000 0.000 0.242 393 R C 2.353 178.592 176.300 -0.102 0.000 1.137 393 R CA 2.072 58.137 56.100 -0.059 0.000 0.944 393 R CB -0.987 29.333 30.300 0.034 0.000 0.857 393 R HN 0.478 nan 8.270 nan 0.000 0.435 394 Q N -0.164 119.626 119.800 -0.017 0.000 2.268 394 Q HA -0.235 4.105 4.340 -0.000 0.000 0.210 394 Q C 1.761 177.737 176.000 -0.039 0.000 0.988 394 Q CA 1.625 57.422 55.803 -0.009 0.000 0.883 394 Q CB -0.088 28.671 28.738 0.035 0.000 0.911 394 Q HN 0.334 nan 8.270 nan 0.000 0.430 395 F N -0.658 119.153 119.950 -0.232 0.000 2.187 395 F HA -0.081 4.446 4.527 -0.000 0.000 0.295 395 F C 1.817 177.403 175.800 -0.357 0.000 1.091 395 F CA 0.832 58.659 58.000 -0.289 0.000 1.308 395 F CB -0.208 38.588 39.000 -0.340 0.000 1.030 395 F HN -0.134 nan 8.300 nan 0.000 0.487 396 V N 0.882 120.484 119.914 -0.519 0.000 2.358 396 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 396 V C 2.479 178.303 176.094 -0.450 0.000 1.047 396 V CA 1.431 63.367 62.300 -0.605 0.000 1.035 396 V CB -0.580 30.913 31.823 -0.550 0.000 0.658 396 V HN 0.298 nan 8.190 nan 0.000 0.452 397 I N 1.033 121.427 120.570 -0.293 0.000 2.264 397 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 397 I C 2.538 178.554 176.117 -0.168 0.000 1.111 397 I CA 2.032 63.222 61.300 -0.183 0.000 1.382 397 I CB -1.835 36.105 38.000 -0.099 0.000 1.060 397 I HN 0.402 nan 8.210 nan 0.000 0.418 398 G N 0.304 108.967 108.800 -0.229 0.000 2.403 398 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 398 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 398 G C 1.792 176.568 174.900 -0.206 0.000 1.154 398 G CA 0.765 45.751 45.100 -0.191 0.000 0.784 398 G HN 0.289 nan 8.290 nan 0.000 0.538 399 V N 0.577 120.257 119.914 -0.390 0.000 2.379 399 V HA -0.085 4.035 4.120 -0.000 0.000 0.243 399 V C 3.051 179.118 176.094 -0.045 0.000 1.035 399 V CA 2.088 64.236 62.300 -0.253 0.000 1.035 399 V CB -0.843 30.722 31.823 -0.430 0.000 0.673 399 V HN 0.313 nan 8.190 nan 0.000 0.457 400 T N 0.733 115.169 114.554 -0.196 0.000 2.684 400 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 400 T C 1.890 176.586 174.700 -0.006 0.000 1.036 400 T CA 1.892 63.914 62.100 -0.131 0.000 1.148 400 T CB -0.713 67.985 68.868 -0.284 0.000 0.863 400 T HN 0.619 nan 8.240 nan 0.000 0.436 401 G N -0.028 108.759 108.800 -0.022 0.000 2.484 401 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 401 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 401 G C 1.323 176.276 174.900 0.089 0.000 1.219 401 G CA 0.910 46.027 45.100 0.029 0.000 0.791 401 G HN 0.495 nan 8.290 nan 0.000 0.550 402 Y N 2.185 122.483 120.300 -0.005 0.000 2.132 402 Y HA -0.252 4.298 4.550 -0.000 0.000 0.280 402 Y C 2.966 178.894 175.900 0.047 0.000 1.193 402 Y CA 1.869 59.985 58.100 0.026 0.000 1.157 402 Y CB -0.508 37.967 38.460 0.024 0.000 0.966 402 Y HN 0.257 nan 8.280 nan 0.000 0.511 403 A N -0.283 122.612 122.820 0.125 0.000 1.902 403 A HA -0.190 4.129 4.320 -0.000 0.000 0.217 403 A C 2.277 179.869 177.584 0.014 0.000 1.181 403 A CA 1.841 53.921 52.037 0.072 0.000 0.623 403 A CB -0.609 18.507 19.000 0.193 0.000 0.818 403 A HN 0.522 nan 8.150 nan 0.000 0.443 404 K N -0.280 120.137 120.400 0.029 0.000 1.965 404 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 404 K C 2.251 178.838 176.600 -0.021 0.000 1.046 404 K CA 1.804 58.100 56.287 0.014 0.000 0.944 404 K CB -0.288 32.221 32.500 0.015 0.000 0.726 404 K HN 0.793 nan 8.250 nan 0.000 0.441 405 Q N 0.282 120.058 119.800 -0.039 0.000 2.561 405 Q HA -0.139 4.201 4.340 -0.000 0.000 0.217 405 Q C 0.852 176.794 176.000 -0.097 0.000 0.980 405 Q CA 1.232 57.004 55.803 -0.052 0.000 0.927 405 Q CB 0.220 28.937 28.738 -0.035 0.000 0.980 405 Q HN 0.169 nan 8.270 nan 0.000 0.525 406 E N 0.801 120.917 120.200 -0.141 0.000 2.538 406 E HA 0.006 4.356 4.350 -0.000 0.000 0.207 406 E C -0.467 176.086 176.600 -0.078 0.000 1.002 406 E CA 0.065 56.361 56.400 -0.173 0.000 0.952 406 E CB 0.424 29.904 29.700 -0.366 0.000 1.031 406 E HN 0.319 nan 8.360 nan 0.000 0.476 407 E N -0.449 119.730 120.200 -0.035 0.000 3.286 407 E HA -0.235 4.115 4.350 -0.000 0.000 0.292 407 E C -0.413 176.206 176.600 0.032 0.000 0.928 407 E CA 0.755 57.158 56.400 0.006 0.000 0.982 407 E CB -2.151 27.551 29.700 0.004 0.000 1.500 407 E HN 0.408 nan 8.360 nan 0.000 0.441 408 I N 2.167 122.757 120.570 0.034 0.000 2.304 408 I HA 0.079 4.249 4.170 -0.000 0.000 0.291 408 I C 0.859 177.045 176.117 0.116 0.000 1.018 408 I CA -0.286 61.058 61.300 0.075 0.000 1.260 408 I CB 1.042 39.089 38.000 0.078 0.000 1.390 408 I HN -0.204 nan 8.210 nan 0.000 0.475 409 T N 4.930 119.577 114.554 0.154 0.000 2.902 409 T HA 0.246 4.596 4.350 -0.000 0.000 0.301 409 T C 0.496 175.324 174.700 0.213 0.000 1.012 409 T CA -0.388 61.844 62.100 0.220 0.000 1.151 409 T CB 0.631 69.694 68.868 0.326 0.000 0.946 409 T HN 0.821 nan 8.240 nan 0.000 0.542 410 G N 2.048 110.931 108.800 0.139 0.000 2.478 410 G HA2 0.576 4.536 3.960 -0.000 0.000 0.317 410 G HA3 0.576 4.536 3.960 -0.000 0.000 0.317 410 G C -1.351 173.432 174.900 -0.195 0.000 1.259 410 G CA -0.630 44.450 45.100 -0.033 0.000 0.933 410 G HN 0.670 nan 8.290 nan 0.000 0.478 411 L N 2.632 123.543 121.223 -0.520 0.000 2.342 411 L HA 0.798 5.138 4.340 -0.000 0.000 0.276 411 L C -1.664 174.913 176.870 -0.488 0.000 0.997 411 L CA -1.059 53.460 54.840 -0.534 0.000 0.838 411 L CB 0.662 42.140 42.059 -0.968 0.000 1.224 411 L HN 0.334 nan 8.230 nan 0.000 0.416 412 F N 1.942 121.817 119.950 -0.125 0.000 2.508 412 F HA 0.623 5.150 4.527 -0.000 0.000 0.325 412 F C 0.665 176.440 175.800 -0.042 0.000 1.090 412 F CA -0.726 57.246 58.000 -0.048 0.000 0.945 412 F CB 2.174 41.152 39.000 -0.038 0.000 1.156 412 F HN 0.274 nan 8.300 nan 0.000 0.463 413 T N 2.103 116.764 114.554 0.179 0.000 2.749 413 T HA 0.254 4.604 4.350 -0.000 0.000 0.287 413 T C -0.732 174.031 174.700 0.104 0.000 0.970 413 T CA -0.503 61.663 62.100 0.110 0.000 0.980 413 T CB 0.256 69.185 68.868 0.101 0.000 0.924 413 T HN 0.509 nan 8.240 nan 0.000 0.456 414 N N 2.036 120.774 118.700 0.065 0.000 2.407 414 N HA 0.335 5.075 4.740 -0.000 0.000 0.277 414 N C -0.905 174.620 175.510 0.025 0.000 0.995 414 N CA -0.477 52.600 53.050 0.045 0.000 0.903 414 N CB 1.156 39.659 38.487 0.026 0.000 1.218 414 N HN 0.302 nan 8.380 nan 0.000 0.487 415 T N 2.008 116.578 114.554 0.025 0.000 3.029 415 T HA 0.202 4.552 4.350 -0.000 0.000 0.346 415 T C 0.086 174.793 174.700 0.011 0.000 1.211 415 T CA -0.635 61.483 62.100 0.029 0.000 1.009 415 T CB -0.385 68.512 68.868 0.048 0.000 1.084 415 T HN 0.638 nan 8.240 nan 0.000 0.536 416 S N 2.097 117.798 115.700 0.002 0.000 2.559 416 S HA -0.012 4.458 4.470 -0.000 0.000 0.282 416 S C 0.690 175.295 174.600 0.009 0.000 1.336 416 S CA -0.355 57.838 58.200 -0.013 0.000 1.037 416 S CB 0.598 63.784 63.200 -0.023 0.000 0.853 416 S HN 0.490 nan 8.310 nan 0.000 0.523 417 D N 0.911 121.304 120.400 -0.012 0.000 2.363 417 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 417 D C 0.549 176.862 176.300 0.022 0.000 1.020 417 D CA 0.654 54.656 54.000 0.003 0.000 0.892 417 D CB -0.055 40.730 40.800 -0.025 0.000 0.900 417 D HN 0.855 nan 8.370 nan 0.000 0.531 418 Q N 0.578 120.381 119.800 0.006 0.000 2.444 418 Q HA 0.215 4.555 4.340 -0.000 0.000 0.251 418 Q C -0.502 175.456 176.000 -0.069 0.000 0.939 418 Q CA -1.010 54.765 55.803 -0.048 0.000 0.740 418 Q CB 0.245 28.903 28.738 -0.135 0.000 1.308 418 Q HN -0.017 nan 8.270 nan 0.000 0.461 419 F N 2.068 122.038 119.950 0.034 0.000 2.602 419 F HA 0.340 4.867 4.527 -0.000 0.000 0.367 419 F C 0.254 176.082 175.800 0.047 0.000 1.126 419 F CA -0.585 57.474 58.000 0.097 0.000 1.321 419 F CB 0.277 39.347 39.000 0.116 0.000 1.094 419 F HN 0.693 nan 8.300 nan 0.000 0.594 420 M N 3.623 123.242 119.600 0.032 0.000 4.047 420 M HA -0.148 4.332 4.480 -0.000 0.000 0.157 420 M C 0.924 177.055 176.300 -0.281 0.000 1.532 420 M CA 1.222 56.453 55.300 -0.115 0.000 1.097 420 M CB -1.398 31.141 32.600 -0.101 0.000 1.346 420 M HN 1.639 nan 8.290 nan 0.000 0.190 421 G N 0.907 109.570 108.800 -0.229 0.000 2.317 421 G HA2 -0.057 3.902 3.960 -0.000 0.000 0.227 421 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.227 421 G C 0.328 174.954 174.900 -0.457 0.000 1.042 421 G CA 0.230 45.127 45.100 -0.338 0.000 0.623 421 G HN 2.185 nan 8.290 nan 0.000 0.509 422 A N 0.695 123.340 122.820 -0.292 0.000 2.602 422 A HA 0.230 4.549 4.320 -0.000 0.000 0.257 422 A C 0.938 178.386 177.584 -0.226 0.000 0.973 422 A CA 1.528 53.437 52.037 -0.214 0.000 0.862 422 A CB -0.227 18.700 19.000 -0.121 0.000 0.855 422 A HN 0.669 nan 8.150 nan 0.000 0.492 423 H N 0.998 120.043 119.070 -0.042 0.000 2.529 423 H HA 0.247 4.803 4.556 -0.000 0.000 0.277 423 H C 0.274 175.588 175.328 -0.024 0.000 1.004 423 H CA 0.915 56.947 56.048 -0.027 0.000 1.167 423 H CB 0.133 29.884 29.762 -0.017 0.000 1.445 423 H HN 0.840 nan 8.280 nan 0.000 0.554 424 S N -0.899 114.831 115.700 0.050 0.000 2.543 424 S HA 0.220 4.690 4.470 -0.000 0.000 0.273 424 S C 0.656 175.220 174.600 -0.060 0.000 1.152 424 S CA -0.728 57.481 58.200 0.015 0.000 0.910 424 S CB 1.067 64.316 63.200 0.081 0.000 1.105 424 S HN -0.144 nan 8.310 nan 0.000 0.465 425 I N 2.434 122.922 120.570 -0.136 0.000 2.068 425 I HA -0.097 4.073 4.170 -0.000 0.000 0.238 425 I C 1.410 177.469 176.117 -0.096 0.000 1.046 425 I CA 1.921 63.106 61.300 -0.191 0.000 1.306 425 I CB -0.495 37.354 38.000 -0.251 0.000 1.023 425 I HN 0.809 nan 8.210 nan 0.000 0.399 426 T N 0.326 114.854 114.554 -0.043 0.000 2.863 426 T HA 0.187 4.537 4.350 -0.000 0.000 0.285 426 T C 0.416 175.072 174.700 -0.074 0.000 1.009 426 T CA -0.600 61.475 62.100 -0.042 0.000 0.989 426 T CB 1.800 70.655 68.868 -0.021 0.000 1.004 426 T HN 0.111 nan 8.240 nan 0.000 0.455 427 D N 1.413 121.725 120.400 -0.145 0.000 2.149 427 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 427 D C 2.063 178.024 176.300 -0.565 0.000 0.972 427 D CA 1.160 55.008 54.000 -0.254 0.000 0.835 427 D CB 0.094 40.788 40.800 -0.177 0.000 0.966 427 D HN 0.587 nan 8.370 nan 0.000 0.476 428 S N -0.111 115.353 115.700 -0.393 0.000 2.562 428 S HA -0.097 4.372 4.470 -0.000 0.000 0.221 428 S C 0.242 174.667 174.600 -0.292 0.000 0.975 428 S CA -0.043 57.950 58.200 -0.345 0.000 0.918 428 S CB -0.299 62.847 63.200 -0.091 0.000 0.772 428 S HN 0.205 nan 8.310 nan 0.000 0.531 429 H N 0.563 119.651 119.070 0.030 0.000 2.929 429 H HA -0.077 4.479 4.556 -0.000 0.000 0.341 429 H C -0.008 175.337 175.328 0.028 0.000 1.258 429 H CA 0.594 56.655 56.048 0.022 0.000 1.185 429 H CB -2.186 27.587 29.762 0.018 0.000 1.553 429 H HN 0.382 nan 8.280 nan 0.000 0.438 430 I N -0.086 120.540 120.570 0.093 0.000 4.018 430 I HA 0.004 4.174 4.170 -0.000 0.000 0.337 430 I C 1.078 177.201 176.117 0.011 0.000 1.327 430 I CA -0.192 61.130 61.300 0.036 0.000 1.100 430 I CB -0.092 37.916 38.000 0.013 0.000 1.025 430 I HN 0.185 nan 8.210 nan 0.000 0.396 434 T N 0.205 114.731 114.554 -0.046 0.000 2.907 434 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 434 T C 0.529 175.226 174.700 -0.006 0.000 1.043 434 T CA -0.219 61.857 62.100 -0.039 0.000 1.003 434 T CB 2.118 70.957 68.868 -0.049 0.000 1.084 434 T HN -0.020 nan 8.240 nan 0.000 0.483 435 D N 1.729 122.129 120.400 0.000 0.000 2.110 435 D HA 0.082 4.722 4.640 -0.000 0.000 0.202 435 D C 0.340 176.659 176.300 0.031 0.000 0.975 435 D CA 1.196 55.210 54.000 0.024 0.000 0.839 435 D CB 0.191 41.016 40.800 0.041 0.000 0.996 435 D HN 0.481 nan 8.370 nan 0.000 0.464 436 T N 0.947 115.491 114.554 -0.017 0.000 2.812 436 T HA 0.528 4.878 4.350 -0.000 0.000 0.282 436 T C 0.044 174.696 174.700 -0.079 0.000 0.990 436 T CA -0.467 61.604 62.100 -0.049 0.000 0.960 436 T CB 2.015 70.816 68.868 -0.112 0.000 0.948 436 T HN -0.113 nan 8.240 nan 0.000 0.438 437 I N 4.385 124.938 120.570 -0.028 0.000 2.330 437 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 437 I C -0.515 175.596 176.117 -0.011 0.000 1.025 437 I CA -0.751 60.548 61.300 -0.002 0.000 1.197 437 I CB 0.865 38.929 38.000 0.106 0.000 1.358 437 I HN 0.371 nan 8.210 nan 0.000 0.467 438 I N 7.538 128.078 120.570 -0.051 0.000 2.307 438 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 438 I C -0.336 175.757 176.117 -0.040 0.000 1.021 438 I CA -0.613 60.663 61.300 -0.039 0.000 1.224 438 I CB 1.294 39.273 38.000 -0.035 0.000 1.376 438 I HN 0.365 nan 8.210 nan 0.000 0.470 439 L N 8.682 129.891 121.223 -0.022 0.000 2.276 439 L HA 0.524 4.864 4.340 -0.000 0.000 0.286 439 L C -0.756 176.108 176.870 -0.011 0.000 1.024 439 L CA -0.116 54.698 54.840 -0.042 0.000 0.826 439 L CB 0.838 42.845 42.059 -0.086 0.000 1.211 439 L HN 0.337 nan 8.230 nan 0.000 0.422 440 L N 5.201 126.415 121.223 -0.015 0.000 2.357 440 L HA 0.681 5.021 4.340 -0.000 0.000 0.273 440 L C -0.328 176.524 176.870 -0.030 0.000 1.080 440 L CA -0.669 54.192 54.840 0.036 0.000 0.803 440 L CB 1.298 43.390 42.059 0.056 0.000 1.174 440 L HN 0.808 nan 8.230 nan 0.000 0.443 441 Q N 0.824 120.604 119.800 -0.033 0.000 2.426 441 Q HA 0.436 4.776 4.340 -0.000 0.000 0.278 441 Q C -1.794 174.122 176.000 -0.139 0.000 1.007 441 Q CA -0.884 54.856 55.803 -0.106 0.000 0.850 441 Q CB 1.325 30.048 28.738 -0.024 0.000 1.427 441 Q HN 0.421 nan 8.270 nan 0.000 0.391 442 Y N 0.700 121.015 120.300 0.025 0.000 2.309 442 Y HA 0.534 5.083 4.550 -0.000 0.000 0.327 442 Y C -0.168 175.692 175.900 -0.066 0.000 1.172 442 Y CA -0.455 57.639 58.100 -0.010 0.000 1.280 442 Y CB 1.511 39.996 38.460 0.043 0.000 1.234 442 Y HN 0.418 nan 8.280 nan 0.000 0.512 443 V N 2.922 122.863 119.914 0.045 0.000 2.577 443 V HA 0.182 4.302 4.120 -0.000 0.000 0.303 443 V C -0.492 175.506 176.094 -0.160 0.000 1.042 443 V CA -1.294 60.908 62.300 -0.164 0.000 0.872 443 V CB 1.749 33.306 31.823 -0.444 0.000 0.998 443 V HN 0.722 nan 8.190 nan 0.000 0.423 444 E N 5.027 125.127 120.200 -0.166 0.000 1.963 444 E HA 0.322 4.672 4.350 -0.000 0.000 0.274 444 E C -1.226 175.267 176.600 -0.178 0.000 1.061 444 E CA -0.431 55.892 56.400 -0.128 0.000 0.847 444 E CB 0.511 30.166 29.700 -0.075 0.000 1.083 444 E HN 0.460 nan 8.360 nan 0.000 0.402 445 I N 4.263 124.736 120.570 -0.161 0.000 2.362 445 I HA 0.228 4.398 4.170 -0.000 0.000 0.289 445 I C 0.746 176.848 176.117 -0.025 0.000 0.994 445 I CA -0.590 60.629 61.300 -0.136 0.000 1.158 445 I CB 1.197 39.107 38.000 -0.150 0.000 1.315 445 I HN 0.700 nan 8.210 nan 0.000 0.451 446 R N 3.857 124.369 120.500 0.020 0.000 3.502 446 R HA -0.231 4.109 4.340 -0.000 0.000 0.266 446 R C 0.982 177.289 176.300 0.013 0.000 1.077 446 R CA 0.720 56.842 56.100 0.037 0.000 0.718 446 R CB -1.634 28.700 30.300 0.057 0.000 1.120 446 R HN 1.150 nan 8.270 nan 0.000 0.457 447 G N -0.594 108.204 108.800 -0.004 0.000 2.176 447 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.252 447 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.252 447 G C -0.200 174.687 174.900 -0.022 0.000 1.024 447 G CA 0.574 45.667 45.100 -0.012 0.000 0.755 447 G HN 0.505 nan 8.290 nan 0.000 0.507 448 E N -0.706 119.477 120.200 -0.029 0.000 2.317 448 E HA 0.478 4.828 4.350 -0.000 0.000 0.270 448 E C 0.110 176.682 176.600 -0.047 0.000 0.885 448 E CA -1.148 55.232 56.400 -0.033 0.000 0.760 448 E CB 0.839 30.530 29.700 -0.014 0.000 1.227 448 E HN 0.068 nan 8.360 nan 0.000 0.434 449 M N 2.637 122.203 119.600 -0.057 0.000 2.974 449 M HA 0.139 4.619 4.480 -0.000 0.000 0.301 449 M C -0.259 176.048 176.300 0.012 0.000 1.409 449 M CA -0.077 55.191 55.300 -0.055 0.000 1.515 449 M CB -0.907 31.595 32.600 -0.163 0.000 1.163 449 M HN 0.345 nan 8.290 nan 0.000 0.520 450 S N 2.218 117.921 115.700 0.005 0.000 2.554 450 S HA 0.722 5.192 4.470 -0.000 0.000 0.278 450 S C 0.142 174.741 174.600 -0.001 0.000 1.242 450 S CA -0.940 57.261 58.200 0.002 0.000 1.051 450 S CB 1.809 65.027 63.200 0.030 0.000 0.986 450 S HN 0.553 nan 8.310 nan 0.000 0.502 451 R N 1.096 121.502 120.500 -0.157 0.000 2.574 451 R HA 0.848 5.188 4.340 -0.000 0.000 0.266 451 R C -0.135 176.112 176.300 -0.087 0.000 1.157 451 R CA 0.033 55.932 56.100 -0.336 0.000 1.187 451 R CB 0.312 29.922 30.300 -1.150 0.000 1.179 451 R HN 1.016 nan 8.270 nan 0.000 0.600 452 A N 0.167 123.064 122.820 0.129 0.000 2.577 452 A HA 0.549 4.869 4.320 -0.000 0.000 0.297 452 A C -1.515 176.359 177.584 0.484 0.000 1.060 452 A CA -0.573 51.713 52.037 0.414 0.000 0.697 452 A CB 1.027 20.264 19.000 0.395 0.000 1.281 452 A HN 0.618 nan 8.150 nan 0.000 0.402 453 I N 1.170 121.968 120.570 0.379 0.000 2.846 453 I HA 0.803 4.973 4.170 -0.000 0.000 0.307 453 I C -0.814 175.350 176.117 0.077 0.000 1.053 453 I CA -0.842 60.532 61.300 0.122 0.000 1.050 453 I CB 2.267 40.163 38.000 -0.174 0.000 1.239 453 I HN 0.896 nan 8.210 nan 0.000 0.439 454 N N 3.813 122.532 118.700 0.032 0.000 2.516 454 N HA 0.284 5.024 4.740 -0.000 0.000 0.268 454 N C -1.975 173.530 175.510 -0.008 0.000 1.096 454 N CA -0.575 52.494 53.050 0.031 0.000 0.954 454 N CB 1.861 40.404 38.487 0.093 0.000 1.676 454 N HN 0.227 nan 8.380 nan 0.000 0.490 455 V N 4.875 124.734 119.914 -0.093 0.000 2.356 455 V HA 0.209 4.329 4.120 -0.000 0.000 0.258 455 V C 0.971 176.854 176.094 -0.353 0.000 1.065 455 V CA -0.309 61.850 62.300 -0.234 0.000 0.935 455 V CB -0.410 31.198 31.823 -0.359 0.000 1.061 455 V HN 0.726 nan 8.190 nan 0.000 0.484 456 F N 4.720 124.490 119.950 -0.300 0.000 2.060 456 F HA 0.044 4.571 4.527 -0.000 0.000 0.295 456 F C 1.263 176.903 175.800 -0.267 0.000 1.120 456 F CA 1.361 59.234 58.000 -0.212 0.000 1.205 456 F CB 0.354 39.289 39.000 -0.109 0.000 0.986 456 F HN 0.493 nan 8.300 nan 0.000 0.470 457 K N -0.066 120.219 120.400 -0.191 0.000 2.535 457 K HA 0.446 4.766 4.320 -0.000 0.000 0.251 457 K C -1.484 175.082 176.600 -0.055 0.000 0.942 457 K CA -0.662 55.542 56.287 -0.137 0.000 0.798 457 K CB 1.737 34.243 32.500 0.009 0.000 1.267 457 K HN 0.049 nan 8.250 nan 0.000 0.434 458 M N 4.004 123.679 119.600 0.125 0.000 2.142 458 M HA 0.326 4.806 4.480 -0.000 0.000 0.299 458 M C 0.511 176.952 176.300 0.234 0.000 0.960 458 M CA -0.668 54.760 55.300 0.213 0.000 0.920 458 M CB 1.883 34.675 32.600 0.320 0.000 1.541 458 M HN 0.775 nan 8.290 nan 0.000 0.429 459 R N 1.360 121.974 120.500 0.190 0.000 2.081 459 R HA -0.075 4.264 4.340 -0.000 0.000 0.235 459 R C 1.762 178.151 176.300 0.148 0.000 1.131 459 R CA 2.026 58.205 56.100 0.132 0.000 0.960 459 R CB 0.006 30.343 30.300 0.062 0.000 0.856 459 R HN 0.905 nan 8.270 nan 0.000 0.436 460 G N -0.366 108.600 108.800 0.276 0.000 2.497 460 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.210 460 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.210 460 G C 0.616 175.796 174.900 0.467 0.000 1.177 460 G CA -0.010 45.252 45.100 0.270 0.000 0.822 460 G HN 0.283 nan 8.290 nan 0.000 0.550 461 S N -1.031 115.036 115.700 0.611 0.000 2.634 461 S HA 0.121 4.591 4.470 -0.000 0.000 0.254 461 S C 0.873 175.630 174.600 0.261 0.000 1.299 461 S CA 0.552 58.957 58.200 0.342 0.000 0.974 461 S CB 0.468 63.752 63.200 0.139 0.000 1.001 461 S HN 0.484 nan 8.310 nan 0.000 0.584 462 W N 1.540 122.855 121.300 0.025 0.000 2.683 462 W HA 0.185 4.844 4.660 -0.000 0.000 0.267 462 W C 0.341 176.674 176.519 -0.311 0.000 1.243 462 W CA 1.309 58.582 57.345 -0.119 0.000 1.380 462 W CB -0.699 28.713 29.460 -0.079 0.000 1.063 462 W HN 1.106 nan 8.180 nan 0.000 0.599 463 H N 0.636 119.317 119.070 -0.648 0.000 3.297 463 H HA -0.266 4.290 4.556 -0.000 0.000 0.252 463 H C -0.703 173.571 175.328 -1.756 0.000 0.668 463 H CA 0.278 55.719 56.048 -1.012 0.000 0.872 463 H CB -1.381 28.123 29.762 -0.430 0.000 1.210 463 H HN 0.263 nan 8.280 nan 0.000 0.417 464 D N 1.294 121.138 120.400 -0.927 0.000 2.372 464 D HA 0.153 4.793 4.640 -0.000 0.000 0.243 464 D C 0.737 176.973 176.300 -0.106 0.000 1.121 464 D CA -0.427 53.270 54.000 -0.506 0.000 0.898 464 D CB 0.783 41.500 40.800 -0.138 0.000 1.202 464 D HN 0.537 nan 8.370 nan 0.000 0.428 465 K N 1.618 121.988 120.400 -0.049 0.000 2.367 465 K HA 0.279 4.599 4.320 -0.000 0.000 0.194 465 K C 0.321 176.950 176.600 0.048 0.000 1.027 465 K CA -0.206 56.096 56.287 0.024 0.000 1.075 465 K CB -0.009 32.503 32.500 0.021 0.000 0.845 465 K HN 0.379 nan 8.250 nan 0.000 0.529 466 A N 1.671 124.523 122.820 0.054 0.000 2.386 466 A HA 0.408 4.728 4.320 -0.000 0.000 0.248 466 A C 0.057 177.691 177.584 0.083 0.000 1.082 466 A CA -0.322 51.759 52.037 0.074 0.000 0.789 466 A CB -0.004 19.037 19.000 0.068 0.000 1.025 466 A HN 0.211 nan 8.150 nan 0.000 0.490 467 I N 2.259 122.903 120.570 0.124 0.000 2.306 467 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 467 I C 0.270 176.478 176.117 0.152 0.000 1.036 467 I CA -0.008 61.394 61.300 0.171 0.000 1.221 467 I CB 0.601 38.747 38.000 0.243 0.000 1.385 467 I HN 0.614 nan 8.210 nan 0.000 0.472 468 R N 4.953 125.515 120.500 0.103 0.000 2.368 468 R HA 0.326 4.666 4.340 -0.000 0.000 0.302 468 R C -0.034 176.303 176.300 0.062 0.000 1.002 468 R CA -0.756 55.352 56.100 0.013 0.000 0.929 468 R CB 1.767 32.078 30.300 0.018 0.000 1.073 468 R HN 0.564 nan 8.270 nan 0.000 0.464 469 E N 2.545 122.624 120.200 -0.201 0.000 2.425 469 E HA 0.115 4.465 4.350 -0.000 0.000 0.258 469 E C -1.083 175.621 176.600 0.173 0.000 1.151 469 E CA -0.177 56.182 56.400 -0.070 0.000 0.958 469 E CB 0.516 29.998 29.700 -0.363 0.000 0.968 469 E HN 0.432 nan 8.360 nan 0.000 0.451 470 F N 1.374 121.338 119.950 0.023 0.000 2.660 470 F HA 0.301 4.828 4.527 -0.000 0.000 0.320 470 F C -1.662 174.154 175.800 0.027 0.000 1.099 470 F CA -1.014 56.990 58.000 0.007 0.000 1.061 470 F CB 0.154 39.151 39.000 -0.005 0.000 1.300 470 F HN 0.500 nan 8.300 nan 0.000 0.479 471 M N 3.849 123.517 119.600 0.114 0.000 2.849 471 M HA 0.852 5.332 4.480 -0.000 0.000 0.299 471 M C -1.640 174.751 176.300 0.151 0.000 1.223 471 M CA -0.809 54.492 55.300 0.001 0.000 0.856 471 M CB 2.370 34.982 32.600 0.021 0.000 1.680 471 M HN 0.536 nan 8.290 nan 0.000 0.506 472 I N 1.353 121.985 120.570 0.103 0.000 2.533 472 I HA 0.650 4.820 4.170 -0.000 0.000 0.290 472 I C -0.755 175.453 176.117 0.152 0.000 1.056 472 I CA -0.367 61.024 61.300 0.151 0.000 1.057 472 I CB 2.268 40.385 38.000 0.195 0.000 1.240 472 I HN 1.059 nan 8.210 nan 0.000 0.423 473 S N 2.089 117.885 115.700 0.160 0.000 2.705 473 S HA 0.337 4.807 4.470 -0.000 0.000 0.280 473 S C 0.146 174.868 174.600 0.203 0.000 1.174 473 S CA -0.847 57.444 58.200 0.153 0.000 0.823 473 S CB 1.662 64.916 63.200 0.090 0.000 1.162 473 S HN 0.613 nan 8.310 nan 0.000 0.487 474 D N 0.689 121.171 120.400 0.136 0.000 2.393 474 D HA -0.104 4.536 4.640 -0.000 0.000 0.220 474 D C 1.006 177.365 176.300 0.099 0.000 0.974 474 D CA 1.000 55.065 54.000 0.108 0.000 0.931 474 D CB -0.163 40.653 40.800 0.027 0.000 0.889 474 D HN 0.554 nan 8.370 nan 0.000 0.512 475 K N 0.074 120.527 120.400 0.089 0.000 2.352 475 K HA 0.295 4.615 4.320 -0.000 0.000 0.194 475 K C 1.254 177.879 176.600 0.042 0.000 1.038 475 K CA 0.438 56.754 56.287 0.049 0.000 1.023 475 K CB 1.047 33.565 32.500 0.030 0.000 0.840 475 K HN 0.180 nan 8.250 nan 0.000 0.519 476 G N 2.108 110.941 108.800 0.055 0.000 2.396 476 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.254 476 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.254 476 G C -2.996 171.863 174.900 -0.069 0.000 1.248 476 G CA -1.049 44.002 45.100 -0.082 0.000 1.033 476 G HN -0.083 nan 8.290 nan 0.000 0.502 477 P HA 0.363 nan 4.420 nan 0.000 0.276 477 P C -1.246 176.053 177.300 -0.002 0.000 1.253 477 P CA 0.483 63.556 63.100 -0.045 0.000 0.766 477 P CB 1.370 32.961 31.700 -0.183 0.000 0.845 478 D N 3.990 124.441 120.400 0.085 0.000 2.464 478 D HA 0.295 4.934 4.640 -0.000 0.000 0.243 478 D C 0.063 176.428 176.300 0.108 0.000 1.104 478 D CA -0.521 53.518 54.000 0.065 0.000 0.883 478 D CB -0.023 40.815 40.800 0.063 0.000 1.050 478 D HN 0.214 nan 8.370 nan 0.000 0.524 479 I N 3.288 123.889 120.570 0.053 0.000 2.556 479 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 479 I C 1.235 177.384 176.117 0.053 0.000 1.114 479 I CA -0.016 61.326 61.300 0.069 0.000 1.418 479 I CB 0.858 38.850 38.000 -0.013 0.000 1.394 479 I HN 0.248 nan 8.210 nan 0.000 0.552 480 K N 4.057 124.492 120.400 0.058 0.000 2.522 480 K HA 0.383 4.703 4.320 -0.000 0.000 0.258 480 K C -0.529 176.050 176.600 -0.035 0.000 0.981 480 K CA -0.795 55.495 56.287 0.006 0.000 1.491 480 K CB 0.395 32.891 32.500 -0.006 0.000 2.722 480 K HN 0.479 nan 8.250 nan 0.000 0.934 481 D N 0.509 120.856 120.400 -0.087 0.000 2.440 481 D HA 0.156 4.796 4.640 -0.000 0.000 0.258 481 D C -0.074 176.081 176.300 -0.241 0.000 1.092 481 D CA -0.192 53.742 54.000 -0.110 0.000 1.016 481 D CB 1.505 42.258 40.800 -0.078 0.000 1.141 481 D HN 0.451 nan 8.370 nan 0.000 0.552 482 S N -0.811 114.779 115.700 -0.185 0.000 2.652 482 S HA 0.279 4.749 4.470 -0.000 0.000 0.267 482 S C 0.192 174.583 174.600 -0.350 0.000 1.201 482 S CA -0.438 57.619 58.200 -0.238 0.000 0.996 482 S CB 0.207 63.397 63.200 -0.017 0.000 1.054 482 S HN 0.380 nan 8.310 nan 0.000 0.561 483 F N 0.348 120.394 119.950 0.160 0.000 2.925 483 F HA 0.472 4.999 4.527 -0.000 0.000 0.302 483 F C 1.989 177.960 175.800 0.284 0.000 1.189 483 F CA -0.730 57.444 58.000 0.290 0.000 1.346 483 F CB -0.171 38.990 39.000 0.268 0.000 0.954 483 F HN 0.629 nan 8.300 nan 0.000 0.506 484 R N 1.818 122.461 120.500 0.238 0.000 2.265 484 R HA -0.276 4.064 4.340 -0.000 0.000 0.268 484 R C 0.650 177.028 176.300 0.130 0.000 1.178 484 R CA 2.236 58.431 56.100 0.158 0.000 1.005 484 R CB -0.303 30.048 30.300 0.085 0.000 0.891 484 R HN 0.405 nan 8.270 nan 0.000 0.472 485 N N -0.565 118.190 118.700 0.091 0.000 2.558 485 N HA 0.086 4.826 4.740 -0.000 0.000 0.281 485 N C -1.009 174.290 175.510 -0.352 0.000 1.219 485 N CA 0.071 53.053 53.050 -0.114 0.000 0.942 485 N CB -0.088 38.281 38.487 -0.197 0.000 1.241 485 N HN 0.041 nan 8.380 nan 0.000 0.511 486 F N -0.132 119.884 119.950 0.111 0.000 2.620 486 F HA 0.467 4.994 4.527 -0.000 0.000 0.320 486 F C 0.126 175.962 175.800 0.060 0.000 1.069 486 F CA -1.021 57.026 58.000 0.079 0.000 0.953 486 F CB 2.289 41.333 39.000 0.074 0.000 1.322 486 F HN -0.121 nan 8.300 nan 0.000 0.479 487 E N 0.317 120.682 120.200 0.274 0.000 2.272 487 E HA 0.534 4.884 4.350 -0.000 0.000 0.269 487 E C -0.793 175.876 176.600 0.116 0.000 0.877 487 E CA -0.606 55.886 56.400 0.153 0.000 0.755 487 E CB 1.322 31.086 29.700 0.105 0.000 1.192 487 E HN 0.607 nan 8.360 nan 0.000 0.422 488 R N 2.405 122.956 120.500 0.085 0.000 3.774 488 R HA -0.222 4.118 4.340 -0.000 0.000 0.320 488 R C 1.001 177.312 176.300 0.019 0.000 1.175 488 R CA 0.652 56.784 56.100 0.054 0.000 0.849 488 R CB -2.312 28.014 30.300 0.043 0.000 1.365 488 R HN 0.695 nan 8.270 nan 0.000 0.502 489 I N 0.438 121.019 120.570 0.018 0.000 2.087 489 I HA -0.401 3.769 4.170 -0.000 0.000 0.240 489 I C 2.552 178.641 176.117 -0.048 0.000 1.054 489 I CA 1.889 63.150 61.300 -0.065 0.000 1.311 489 I CB -0.412 37.575 38.000 -0.021 0.000 1.024 489 I HN 0.222 nan 8.210 nan 0.000 0.402 490 I N 1.292 121.869 120.570 0.013 0.000 2.182 490 I HA -0.385 3.785 4.170 -0.000 0.000 0.248 490 I C 2.898 179.002 176.117 -0.021 0.000 1.073 490 I CA 2.473 63.784 61.300 0.019 0.000 1.335 490 I CB -1.226 36.812 38.000 0.063 0.000 1.031 490 I HN 0.448 nan 8.210 nan 0.000 0.420 491 S N -0.295 115.393 115.700 -0.022 0.000 2.419 491 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 491 S C 1.852 176.404 174.600 -0.080 0.000 1.016 491 S CA 1.506 59.674 58.200 -0.053 0.000 0.974 491 S CB -0.094 63.093 63.200 -0.021 0.000 0.786 491 S HN 0.676 nan 8.310 nan 0.000 0.492 492 G N 0.110 108.864 108.800 -0.076 0.000 2.397 492 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.211 492 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.211 492 G C 0.417 175.259 174.900 -0.096 0.000 1.077 492 G CA 0.065 45.120 45.100 -0.076 0.000 0.649 492 G HN 0.712 nan 8.290 nan 0.000 0.511 493 S N 3.633 119.286 115.700 -0.077 0.000 2.790 493 S HA 0.574 5.044 4.470 -0.000 0.000 0.202 493 S C -1.610 172.955 174.600 -0.058 0.000 1.383 493 S CA -0.627 57.532 58.200 -0.069 0.000 1.026 493 S CB 1.449 64.626 63.200 -0.039 0.000 1.253 493 S HN 0.416 nan 8.310 nan 0.000 0.489 494 P HA 0.115 nan 4.420 nan 0.000 0.282 494 P C -0.480 176.867 177.300 0.078 0.000 1.273 494 P CA 0.072 63.146 63.100 -0.045 0.000 0.809 494 P CB 0.405 31.954 31.700 -0.251 0.000 1.246 495 T N -1.263 113.432 114.554 0.233 0.000 4.096 495 T HA 0.201 4.551 4.350 -0.000 0.000 0.336 495 T C -0.616 174.240 174.700 0.260 0.000 0.820 495 T CA -0.683 61.545 62.100 0.213 0.000 0.986 495 T CB 0.407 69.341 68.868 0.110 0.000 1.077 495 T HN 0.343 nan 8.240 nan 0.000 0.466 496 R N 2.401 123.040 120.500 0.233 0.000 2.640 496 R HA 0.183 4.523 4.340 -0.000 0.000 0.270 496 R C 1.370 177.600 176.300 -0.116 0.000 1.024 496 R CA 0.033 56.010 56.100 -0.205 0.000 1.085 496 R CB 0.228 30.370 30.300 -0.264 0.000 0.963 496 R HN 0.654 nan 8.270 nan 0.000 0.426 497 I N 0.774 121.241 120.570 -0.172 0.000 2.480 497 I HA -0.021 4.149 4.170 -0.000 0.000 0.251 497 I C 0.888 176.961 176.117 -0.073 0.000 1.124 497 I CA 0.677 61.928 61.300 -0.082 0.000 1.444 497 I CB -0.968 36.995 38.000 -0.063 0.000 1.098 497 I HN 0.843 nan 8.210 nan 0.000 0.428 498 T N 0.035 114.526 114.554 -0.105 0.000 3.397 498 T HA -0.198 4.152 4.350 -0.000 0.000 0.401 498 T C 0.205 174.881 174.700 -0.041 0.000 0.769 498 T CA 0.447 62.504 62.100 -0.071 0.000 1.981 498 T CB -3.098 65.736 68.868 -0.056 0.000 1.714 498 T HN 0.323 nan 8.240 nan 0.000 0.632 499 V N 1.548 121.441 119.914 -0.036 0.000 2.599 499 V HA 0.086 4.206 4.120 -0.000 0.000 0.300 499 V C 1.107 177.192 176.094 -0.016 0.000 1.034 499 V CA 0.142 62.429 62.300 -0.020 0.000 1.115 499 V CB 0.506 32.320 31.823 -0.016 0.000 0.934 499 V HN 0.714 nan 8.190 nan 0.000 0.485 500 D N 5.659 126.053 120.400 -0.010 0.000 2.745 500 D HA 0.188 4.828 4.640 -0.000 0.000 0.229 500 D C 0.951 177.248 176.300 -0.005 0.000 1.088 500 D CA 0.362 54.358 54.000 -0.007 0.000 1.054 500 D CB -0.132 40.665 40.800 -0.004 0.000 1.132 500 D HN 0.776 nan 8.370 nan 0.000 0.464 501 E N 0.903 121.099 120.200 -0.007 0.000 3.521 501 E HA -0.426 3.924 4.350 -0.000 0.000 0.476 501 E C 1.242 177.841 176.600 -0.002 0.000 1.646 501 E CA 1.873 58.270 56.400 -0.005 0.000 1.182 501 E CB -0.574 29.124 29.700 -0.003 0.000 1.215 501 E HN 0.480 nan 8.360 nan 0.000 0.404 502 K N 0.226 120.626 120.400 -0.001 0.000 2.521 502 K HA 0.307 4.627 4.320 -0.000 0.000 0.213 502 K C 0.364 176.964 176.600 0.001 0.000 1.223 502 K CA 0.643 56.931 56.287 0.001 0.000 1.013 502 K CB 1.768 34.268 32.500 0.001 0.000 1.017 502 K HN 0.362 nan 8.250 nan 0.000 0.591 503 S N 0.998 116.698 115.700 -0.000 0.000 3.858 503 S HA -0.134 4.336 4.470 -0.000 0.000 0.356 503 S C -0.802 173.799 174.600 0.001 0.000 1.013 503 S CA 1.348 59.548 58.200 0.000 0.000 1.083 503 S CB -1.202 61.998 63.200 0.000 0.000 0.883 503 S HN 0.707 nan 8.310 nan 0.000 0.475 504 E N 0.000 120.200 120.200 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 0.001 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