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 1jbq_1_F DATA FIRST_RESID 43 DATA SEQUENCE WIRPDAPSRC TWQLGRPASE SPHHHTAPAK SPKILPDILK KIGDTPMVRI DATA SEQUENCE NKIGKKFGLK CELLAKCEFF NAGGSVKDRI SLRMIEDAER DGTLKPGDTI DATA SEQUENCE IEPTSGNTGI GLALAAAVRG YRCIIVMPEK MSSEKVDVLR ALGAEIVRTP DATA SEQUENCE TXXXXXXXES HVGVAWRLKN EIPNSHILDQ YRNASNPLAH YDTTADEILQ DATA SEQUENCE QCDGKLDMLV ASVGTGGTIT GIARKLKEKC PGCRIIGVDP EGSILAEPEE DATA SEQUENCE LNQTEQTTYE VEGIGYDFIP TVLDRTVVDK WFKSNDEEAF TFARMLIAQE DATA SEQUENCE GLLCGGSAGS TVAVAVKAAQ ELQEGQRCVV ILPDSVRNYM TKFLSDRWML DATA SEQUENCE QKGFL 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 43 W HA 0.000 nan 4.660 nan 0.000 0.303 43 W C 0.000 176.221 176.519 -0.496 0.000 1.175 43 W CA 0.000 56.874 57.345 -0.785 0.000 1.226 43 W CB 0.000 28.770 29.460 -1.151 0.000 1.126 44 I N 5.771 125.964 120.570 -0.629 0.000 2.297 44 I HA 0.321 4.491 4.170 0.000 0.000 0.291 44 I C 0.829 176.579 176.117 -0.611 0.000 1.033 44 I CA -0.878 60.050 61.300 -0.620 0.000 1.253 44 I CB 0.775 38.614 38.000 -0.267 0.000 1.396 44 I HN 0.611 nan 8.210 nan 0.000 0.476 45 R N 7.481 127.468 120.500 -0.856 0.000 2.827 45 R HA 0.066 4.406 4.340 0.000 0.000 0.269 45 R C -1.339 174.841 176.300 -0.199 0.000 1.048 45 R CA -0.646 55.177 56.100 -0.462 0.000 1.173 45 R CB -0.393 29.619 30.300 -0.480 0.000 1.070 45 R HN 0.329 nan 8.270 nan 0.000 0.498 46 P HA -0.163 nan 4.420 nan 0.000 0.220 46 P C -0.082 177.234 177.300 0.027 0.000 1.144 46 P CA 1.485 64.597 63.100 0.020 0.000 0.800 46 P CB 0.118 31.771 31.700 -0.079 0.000 0.772 47 D N -2.426 117.924 120.400 -0.082 0.000 2.501 47 D HA 0.149 4.789 4.640 0.000 0.000 0.224 47 D C 0.179 176.452 176.300 -0.046 0.000 1.202 47 D CA -0.523 53.467 54.000 -0.018 0.000 0.829 47 D CB -0.554 40.264 40.800 0.030 0.000 1.023 47 D HN -0.090 nan 8.370 nan 0.000 0.499 48 A N 2.366 125.131 122.820 -0.091 0.000 2.540 48 A HA 0.349 4.669 4.320 0.000 0.000 0.239 48 A C -1.955 175.613 177.584 -0.026 0.000 1.061 48 A CA -0.796 51.188 52.037 -0.088 0.000 0.758 48 A CB -0.233 18.698 19.000 -0.116 0.000 0.991 48 A HN 0.180 nan 8.150 nan 0.000 0.502 49 P HA 0.020 nan 4.420 nan 0.000 0.265 49 P C 0.129 177.440 177.300 0.018 0.000 1.193 49 P CA 0.157 63.265 63.100 0.013 0.000 0.765 49 P CB 0.669 32.376 31.700 0.012 0.000 0.823 50 S N 2.878 118.600 115.700 0.036 0.000 2.560 50 S HA 0.032 4.502 4.470 0.000 0.000 0.284 50 S C 0.995 175.622 174.600 0.045 0.000 1.327 50 S CA -0.158 58.067 58.200 0.042 0.000 1.055 50 S CB -0.027 63.204 63.200 0.052 0.000 0.868 50 S HN 0.321 nan 8.310 nan 0.000 0.506 51 R N 2.228 122.756 120.500 0.046 0.000 2.432 51 R HA 0.237 4.577 4.340 0.000 0.000 0.260 51 R C 0.419 176.759 176.300 0.068 0.000 0.935 51 R CA -0.181 55.947 56.100 0.047 0.000 1.080 51 R CB -0.382 29.937 30.300 0.032 0.000 1.155 51 R HN 0.645 nan 8.270 nan 0.000 0.531 52 C N 1.560 120.915 119.300 0.091 0.000 2.634 52 C HA 0.018 4.478 4.460 0.000 0.000 0.417 52 C C 1.958 177.033 174.990 0.142 0.000 1.334 52 C CA 0.593 59.691 59.018 0.134 0.000 1.829 52 C CB 0.205 28.036 27.740 0.151 0.000 2.665 52 C HN 0.709 nan 8.230 nan 0.000 0.614 53 T N 1.876 116.516 114.554 0.143 0.000 3.105 53 T HA 0.088 4.438 4.350 0.000 0.000 0.253 53 T C 0.129 174.914 174.700 0.141 0.000 1.047 53 T CA -0.409 61.759 62.100 0.113 0.000 0.944 53 T CB -0.223 68.678 68.868 0.055 0.000 1.016 53 T HN 0.842 nan 8.240 nan 0.000 0.544 54 W N 2.844 124.159 121.300 0.025 0.000 2.209 54 W HA 0.316 4.977 4.660 0.000 0.000 0.344 54 W C -0.375 176.152 176.519 0.013 0.000 1.285 54 W CA 0.324 57.678 57.345 0.016 0.000 1.267 54 W CB 0.356 29.817 29.460 0.000 0.000 1.167 54 W HN 0.235 nan 8.180 nan 0.000 0.574 55 Q N 5.550 124.743 119.800 -1.011 0.000 2.295 55 Q HA 0.198 4.538 4.340 0.000 0.000 0.268 55 Q C -1.210 173.909 176.000 -1.468 0.000 1.010 55 Q CA -1.396 53.803 55.803 -1.006 0.000 0.856 55 Q CB 2.069 30.557 28.738 -0.416 0.000 1.349 55 Q HN 0.534 nan 8.270 nan 0.000 0.412 56 L N 1.513 121.913 121.223 -1.371 0.000 2.559 56 L HA 0.235 4.575 4.340 0.000 0.000 0.282 56 L C 1.118 177.760 176.870 -0.380 0.000 1.232 56 L CA 2.630 57.050 54.840 -0.701 0.000 0.885 56 L CB 0.034 41.980 42.059 -0.188 0.000 1.131 56 L HN 0.957 nan 8.230 nan 0.000 0.498 57 G N 3.238 111.903 108.800 -0.225 0.000 2.213 57 G HA2 -0.289 3.671 3.960 0.000 0.000 0.236 57 G HA3 -0.289 3.671 3.960 0.000 0.000 0.236 57 G C 0.613 175.426 174.900 -0.144 0.000 0.991 57 G CA 0.282 45.299 45.100 -0.138 0.000 0.629 57 G HN 0.811 nan 8.290 nan 0.000 0.517 58 R N 1.543 121.905 120.500 -0.231 0.000 2.308 58 R HA 0.508 4.848 4.340 0.000 0.000 0.305 58 R C -2.052 174.196 176.300 -0.086 0.000 1.053 58 R CA -1.499 54.496 56.100 -0.175 0.000 0.957 58 R CB 0.497 30.642 30.300 -0.258 0.000 1.022 58 R HN 0.090 nan 8.270 nan 0.000 0.461 59 P HA -0.056 nan 4.420 nan 0.000 0.266 59 P C -0.373 176.952 177.300 0.042 0.000 1.193 59 P CA 0.220 63.324 63.100 0.006 0.000 0.770 59 P CB 0.821 32.522 31.700 0.003 0.000 0.836 60 A N 2.255 125.115 122.820 0.066 0.000 2.066 60 A HA -0.121 4.199 4.320 0.000 0.000 0.218 60 A C 2.025 179.662 177.584 0.087 0.000 1.157 60 A CA 1.559 53.653 52.037 0.094 0.000 0.670 60 A CB -1.340 17.702 19.000 0.070 0.000 0.804 60 A HN 0.599 nan 8.150 nan 0.000 0.453 61 S N 0.056 115.793 115.700 0.062 0.000 2.469 61 S HA -0.144 4.326 4.470 0.000 0.000 0.238 61 S C 1.236 175.874 174.600 0.063 0.000 0.998 61 S CA 1.314 59.550 58.200 0.060 0.000 0.957 61 S CB -0.345 62.878 63.200 0.039 0.000 0.764 61 S HN 0.700 nan 8.310 nan 0.000 0.514 62 E N 1.402 121.638 120.200 0.060 0.000 2.489 62 E HA 0.153 4.503 4.350 0.000 0.000 0.193 62 E C 0.369 177.010 176.600 0.069 0.000 1.057 62 E CA -0.154 56.275 56.400 0.048 0.000 0.866 62 E CB 0.268 29.982 29.700 0.023 0.000 0.916 62 E HN 0.481 nan 8.360 nan 0.000 0.500 63 S N 1.984 117.761 115.700 0.129 0.000 2.549 63 S HA 0.096 4.566 4.470 0.000 0.000 0.279 63 S C -1.543 173.099 174.600 0.069 0.000 1.321 63 S CA -1.244 57.060 58.200 0.173 0.000 1.054 63 S CB 0.798 64.248 63.200 0.417 0.000 0.899 63 S HN -0.004 nan 8.310 nan 0.000 0.497 64 P HA 0.225 nan 4.420 nan 0.000 0.266 64 P C -0.487 176.677 177.300 -0.227 0.000 1.381 64 P CA -0.096 62.900 63.100 -0.173 0.000 0.940 64 P CB 0.064 31.617 31.700 -0.246 0.000 1.435 65 H N 0.029 119.106 119.070 0.012 0.000 2.496 65 H HA 0.202 4.758 4.556 0.000 0.000 0.342 65 H C 0.007 175.213 175.328 -0.204 0.000 1.170 65 H CA -0.257 55.701 56.048 -0.151 0.000 1.274 65 H CB 0.899 30.458 29.762 -0.338 0.000 1.538 65 H HN 0.161 nan 8.280 nan 0.000 0.542 66 H N 2.969 121.959 119.070 -0.134 0.000 2.723 66 H HA 0.112 4.668 4.556 0.000 0.000 0.294 66 H C -0.591 174.605 175.328 -0.221 0.000 1.079 66 H CA -0.412 55.572 56.048 -0.107 0.000 1.411 66 H CB 0.127 29.860 29.762 -0.047 0.000 1.439 66 H HN 0.527 nan 8.280 nan 0.000 0.474 67 H N 3.768 122.717 119.070 -0.203 0.000 2.472 67 H HA 0.216 4.772 4.556 0.000 0.000 0.338 67 H C -0.146 174.987 175.328 -0.325 0.000 1.133 67 H CA -0.447 55.492 56.048 -0.182 0.000 1.216 67 H CB 2.071 31.846 29.762 0.021 0.000 1.497 67 H HN 0.584 nan 8.280 nan 0.000 0.500 68 T N 1.313 115.810 114.554 -0.094 0.000 2.912 68 T HA 0.597 4.947 4.350 0.000 0.000 0.288 68 T C -0.147 174.531 174.700 -0.038 0.000 1.030 68 T CA -0.621 61.416 62.100 -0.105 0.000 1.020 68 T CB 1.658 70.457 68.868 -0.115 0.000 1.056 68 T HN 0.706 nan 8.240 nan 0.000 0.480 69 A N 3.000 125.798 122.820 -0.037 0.000 2.320 69 A HA 0.825 5.145 4.320 0.000 0.000 0.334 69 A C -2.484 175.077 177.584 -0.038 0.000 1.147 69 A CA -1.691 50.323 52.037 -0.037 0.000 0.820 69 A CB -0.061 18.923 19.000 -0.028 0.000 1.218 69 A HN 0.574 nan 8.150 nan 0.000 0.482 70 P HA 0.398 nan 4.420 nan 0.000 0.269 70 P C -0.606 176.675 177.300 -0.031 0.000 1.217 70 P CA 0.214 63.290 63.100 -0.040 0.000 0.783 70 P CB 0.691 32.364 31.700 -0.046 0.000 0.898 71 A N 1.228 124.031 122.820 -0.029 0.000 2.393 71 A HA 0.507 4.827 4.320 0.000 0.000 0.306 71 A C -0.632 176.937 177.584 -0.025 0.000 1.050 71 A CA -0.693 51.330 52.037 -0.023 0.000 0.724 71 A CB 1.169 20.158 19.000 -0.018 0.000 1.248 71 A HN 0.399 nan 8.150 nan 0.000 0.424 72 K N 0.778 121.163 120.400 -0.024 0.000 2.098 72 K HA 0.442 4.762 4.320 0.000 0.000 0.261 72 K C 0.373 176.959 176.600 -0.024 0.000 0.987 72 K CA -0.302 55.969 56.287 -0.027 0.000 0.916 72 K CB 1.517 34.000 32.500 -0.028 0.000 1.039 72 K HN 0.724 nan 8.250 nan 0.000 0.455 73 S N 3.333 119.017 115.700 -0.027 0.000 2.525 73 S HA 0.115 4.585 4.470 0.000 0.000 0.285 73 S C -1.633 172.955 174.600 -0.019 0.000 1.283 73 S CA -1.229 56.957 58.200 -0.023 0.000 1.072 73 S CB 0.066 63.249 63.200 -0.028 0.000 0.867 73 S HN 0.363 nan 8.310 nan 0.000 0.492 74 P HA 0.285 nan 4.420 nan 0.000 0.279 74 P C 0.602 177.895 177.300 -0.012 0.000 1.276 74 P CA -0.699 62.394 63.100 -0.012 0.000 0.801 74 P CB 0.742 32.436 31.700 -0.009 0.000 1.127 75 K N -0.340 120.054 120.400 -0.010 0.000 1.977 75 K HA -0.036 4.284 4.320 0.000 0.000 0.218 75 K C 0.726 177.322 176.600 -0.007 0.000 1.051 75 K CA 1.318 57.600 56.287 -0.009 0.000 0.953 75 K CB -0.282 32.213 32.500 -0.008 0.000 0.727 75 K HN 0.419 nan 8.250 nan 0.000 0.445 76 I N 2.279 122.846 120.570 -0.006 0.000 2.354 76 I HA 0.099 4.269 4.170 0.000 0.000 0.292 76 I C -0.935 175.179 176.117 -0.004 0.000 0.989 76 I CA -0.913 60.385 61.300 -0.004 0.000 1.188 76 I CB 1.463 39.461 38.000 -0.004 0.000 1.342 76 I HN 0.026 nan 8.210 nan 0.000 0.457 77 L N 9.462 130.683 121.223 -0.003 0.000 2.313 77 L HA 0.274 4.614 4.340 0.000 0.000 0.282 77 L C -0.919 175.950 176.870 -0.002 0.000 1.092 77 L CA -1.048 53.791 54.840 -0.002 0.000 0.831 77 L CB -0.010 42.049 42.059 -0.000 0.000 1.159 77 L HN 0.443 nan 8.230 nan 0.000 0.442 78 P HA -0.093 nan 4.420 nan 0.000 0.220 78 P C -0.485 176.812 177.300 -0.004 0.000 1.148 78 P CA 0.959 64.056 63.100 -0.004 0.000 0.803 78 P CB 0.157 31.855 31.700 -0.004 0.000 0.782 79 D N -3.368 117.031 120.400 -0.002 0.000 2.671 79 D HA 0.092 4.732 4.640 0.000 0.000 0.273 79 D C 0.342 176.644 176.300 0.003 0.000 1.264 79 D CA -0.802 53.198 54.000 -0.001 0.000 0.788 79 D CB -0.052 40.746 40.800 -0.003 0.000 1.324 79 D HN -0.283 nan 8.370 nan 0.000 0.424 80 I N 0.385 120.959 120.570 0.006 0.000 2.493 80 I HA -0.000 4.170 4.170 0.000 0.000 0.254 80 I C 1.621 177.745 176.117 0.012 0.000 1.160 80 I CA 1.005 62.312 61.300 0.010 0.000 1.445 80 I CB -0.342 37.665 38.000 0.013 0.000 1.086 80 I HN 0.560 nan 8.210 nan 0.000 0.433 81 L N -0.413 120.816 121.223 0.011 0.000 2.353 81 L HA -0.194 4.146 4.340 0.000 0.000 0.220 81 L C 1.976 178.850 176.870 0.008 0.000 1.133 81 L CA 0.774 55.621 54.840 0.012 0.000 0.798 81 L CB -0.685 41.382 42.059 0.014 0.000 0.922 81 L HN 0.063 nan 8.230 nan 0.000 0.445 82 K N 0.280 120.684 120.400 0.005 0.000 2.504 82 K HA -0.091 4.229 4.320 0.000 0.000 0.195 82 K C 1.160 177.761 176.600 0.002 0.000 1.036 82 K CA 0.635 56.923 56.287 0.002 0.000 0.984 82 K CB -0.093 32.406 32.500 -0.000 0.000 0.788 82 K HN -0.128 nan 8.250 nan 0.000 0.488 83 K N 0.976 121.381 120.400 0.008 0.000 2.969 83 K HA 0.298 4.618 4.320 0.000 0.000 0.222 83 K C -1.042 175.570 176.600 0.019 0.000 1.172 83 K CA -0.053 56.242 56.287 0.013 0.000 1.192 83 K CB -0.323 32.190 32.500 0.022 0.000 1.111 83 K HN -0.045 nan 8.250 nan 0.000 0.457 84 I N 0.295 120.871 120.570 0.010 0.000 2.466 84 I HA 0.543 4.713 4.170 0.000 0.000 0.289 84 I C 0.288 176.405 176.117 -0.001 0.000 1.026 84 I CA -0.509 60.797 61.300 0.011 0.000 1.078 84 I CB 1.914 39.917 38.000 0.006 0.000 1.249 84 I HN 0.412 nan 8.210 nan 0.000 0.429 85 G N 4.272 113.072 108.800 0.000 0.000 2.710 85 G HA2 -0.141 3.819 3.960 0.000 0.000 0.668 85 G HA3 -0.141 3.819 3.960 0.000 0.000 0.668 85 G C -0.094 174.793 174.900 -0.021 0.000 1.320 85 G CA -0.085 45.008 45.100 -0.011 0.000 0.860 85 G HN 0.987 nan 8.290 nan 0.000 0.538 86 D N -1.092 119.290 120.400 -0.031 0.000 2.723 86 D HA -0.105 4.535 4.640 0.000 0.000 0.236 86 D C 0.937 177.198 176.300 -0.065 0.000 1.138 86 D CA 2.897 56.869 54.000 -0.046 0.000 0.676 86 D CB -1.318 39.456 40.800 -0.044 0.000 1.069 86 D HN 1.645 nan 8.370 nan 0.000 0.430 87 T N -1.789 112.730 114.554 -0.058 0.000 2.899 87 T HA 0.557 4.907 4.350 0.000 0.000 0.295 87 T C -2.127 172.494 174.700 -0.132 0.000 1.033 87 T CA -1.338 60.710 62.100 -0.086 0.000 1.084 87 T CB 1.706 70.548 68.868 -0.044 0.000 0.979 87 T HN 0.059 nan 8.240 nan 0.000 0.532 88 P HA 0.269 nan 4.420 nan 0.000 0.275 88 P C -0.945 176.274 177.300 -0.137 0.000 1.227 88 P CA -0.658 62.306 63.100 -0.227 0.000 0.781 88 P CB 0.626 32.077 31.700 -0.415 0.000 0.906 89 M N 4.221 123.763 119.600 -0.097 0.000 2.066 89 M HA 0.274 4.754 4.480 0.000 0.000 0.340 89 M C -1.445 174.832 176.300 -0.039 0.000 1.053 89 M CA -0.533 54.735 55.300 -0.054 0.000 0.983 89 M CB 0.322 32.894 32.600 -0.046 0.000 1.520 89 M HN 0.018 nan 8.290 nan 0.000 0.428 90 V N 5.088 124.998 119.914 -0.007 0.000 2.513 90 V HA 0.568 4.688 4.120 0.000 0.000 0.299 90 V C 0.014 176.125 176.094 0.030 0.000 1.035 90 V CA -0.960 61.350 62.300 0.017 0.000 0.889 90 V CB 1.762 33.621 31.823 0.061 0.000 0.988 90 V HN 0.756 nan 8.190 nan 0.000 0.440 91 R N 3.803 124.318 120.500 0.025 0.000 2.340 91 R HA 0.364 4.704 4.340 0.000 0.000 0.300 91 R C -0.834 175.489 176.300 0.040 0.000 1.069 91 R CA -0.603 55.511 56.100 0.025 0.000 0.984 91 R CB 0.583 30.893 30.300 0.017 0.000 1.003 91 R HN 0.545 nan 8.270 nan 0.000 0.459 92 I N 5.151 125.745 120.570 0.040 0.000 2.352 92 I HA 0.023 4.193 4.170 0.000 0.000 0.290 92 I C 0.747 176.891 176.117 0.045 0.000 1.036 92 I CA 0.060 61.390 61.300 0.050 0.000 1.336 92 I CB 1.055 39.084 38.000 0.048 0.000 1.407 92 I HN 0.693 nan 8.210 nan 0.000 0.497 93 N N 4.863 123.591 118.700 0.048 0.000 2.414 93 N HA 0.066 4.806 4.740 0.000 0.000 0.177 93 N C 1.119 176.656 175.510 0.046 0.000 1.062 93 N CA 0.462 53.537 53.050 0.042 0.000 0.890 93 N CB 0.985 39.493 38.487 0.035 0.000 1.070 93 N HN 0.550 nan 8.380 nan 0.000 0.454 94 K N 0.690 121.123 120.400 0.054 0.000 2.266 94 K HA 0.310 4.630 4.320 0.000 0.000 0.209 94 K C 1.992 178.648 176.600 0.093 0.000 1.065 94 K CA -0.006 56.315 56.287 0.057 0.000 0.946 94 K CB 0.294 32.820 32.500 0.043 0.000 1.069 94 K HN -0.116 nan 8.250 nan 0.000 0.472 95 I N 1.788 122.427 120.570 0.116 0.000 2.113 95 I HA -0.313 3.857 4.170 0.000 0.000 0.242 95 I C 2.471 178.762 176.117 0.290 0.000 1.064 95 I CA 1.836 63.261 61.300 0.208 0.000 1.320 95 I CB -0.790 37.306 38.000 0.159 0.000 1.028 95 I HN 0.385 nan 8.210 nan 0.000 0.406 96 G N 0.801 109.701 108.800 0.166 0.000 2.446 96 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 96 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 96 G C 1.708 176.710 174.900 0.169 0.000 1.168 96 G CA 0.581 45.767 45.100 0.145 0.000 0.771 96 G HN 0.204 nan 8.290 nan 0.000 0.551 97 K N 0.727 121.199 120.400 0.120 0.000 2.057 97 K HA -0.068 4.252 4.320 0.000 0.000 0.207 97 K C 2.242 178.892 176.600 0.082 0.000 1.049 97 K CA 1.161 57.498 56.287 0.084 0.000 0.931 97 K CB -0.407 32.124 32.500 0.052 0.000 0.714 97 K HN 0.442 nan 8.250 nan 0.000 0.440 98 K N -0.016 120.441 120.400 0.094 0.000 2.360 98 K HA -0.089 4.231 4.320 0.000 0.000 0.201 98 K C 0.667 177.171 176.600 -0.159 0.000 1.046 98 K CA 0.915 57.186 56.287 -0.027 0.000 0.945 98 K CB 0.038 32.513 32.500 -0.042 0.000 0.750 98 K HN -0.007 nan 8.250 nan 0.000 0.464 99 F N -0.553 119.412 119.950 0.026 0.000 2.654 99 F HA 0.292 4.819 4.527 0.000 0.000 0.303 99 F C 1.213 177.027 175.800 0.024 0.000 1.099 99 F CA 0.256 58.277 58.000 0.035 0.000 1.270 99 F CB 1.392 40.429 39.000 0.061 0.000 1.024 99 F HN 0.191 nan 8.300 nan 0.000 0.548 100 G N 0.551 109.432 108.800 0.134 0.000 2.179 100 G HA2 -0.291 3.669 3.960 0.000 0.000 0.260 100 G HA3 -0.291 3.669 3.960 0.000 0.000 0.260 100 G C 0.083 175.033 174.900 0.083 0.000 0.977 100 G CA -0.400 44.752 45.100 0.087 0.000 0.641 100 G HN 0.126 nan 8.290 nan 0.000 0.533 101 L N 0.687 121.971 121.223 0.102 0.000 2.559 101 L HA 0.320 4.660 4.340 0.000 0.000 0.274 101 L C 1.639 178.535 176.870 0.043 0.000 1.205 101 L CA 1.123 56.001 54.840 0.063 0.000 0.907 101 L CB 0.736 42.830 42.059 0.059 0.000 1.153 101 L HN 0.286 nan 8.230 nan 0.000 0.490 102 K N 2.596 123.013 120.400 0.029 0.000 2.323 102 K HA 0.070 4.390 4.320 0.000 0.000 0.197 102 K C 0.801 177.410 176.600 0.015 0.000 1.043 102 K CA 0.309 56.609 56.287 0.022 0.000 0.997 102 K CB 0.062 32.573 32.500 0.018 0.000 0.807 102 K HN 0.831 nan 8.250 nan 0.000 0.497 103 C N 0.620 119.927 119.300 0.011 0.000 2.480 103 C HA 0.333 4.793 4.460 0.000 0.000 0.344 103 C C 0.454 175.447 174.990 0.004 0.000 1.380 103 C CA -1.127 57.893 59.018 0.003 0.000 2.386 103 C CB 0.574 28.311 27.740 -0.005 0.000 2.210 103 C HN 0.363 nan 8.230 nan 0.000 0.640 104 E N 0.212 120.411 120.200 -0.000 0.000 2.227 104 E HA 0.450 4.800 4.350 0.000 0.000 0.282 104 E C -1.350 175.248 176.600 -0.005 0.000 1.015 104 E CA -0.454 55.947 56.400 0.001 0.000 0.823 104 E CB 0.781 30.480 29.700 -0.001 0.000 1.081 104 E HN 0.729 nan 8.360 nan 0.000 0.396 105 L N 6.904 128.127 121.223 0.000 0.000 2.280 105 L HA 0.399 4.739 4.340 0.000 0.000 0.287 105 L C -1.012 175.858 176.870 -0.000 0.000 1.023 105 L CA -0.641 54.195 54.840 -0.006 0.000 0.819 105 L CB 0.643 42.702 42.059 -0.001 0.000 1.212 105 L HN 0.623 nan 8.230 nan 0.000 0.420 106 L N 3.969 125.187 121.223 -0.008 0.000 2.334 106 L HA 0.718 5.058 4.340 0.000 0.000 0.273 106 L C -0.095 176.776 176.870 0.002 0.000 1.013 106 L CA -0.617 54.222 54.840 -0.002 0.000 0.816 106 L CB 1.965 44.017 42.059 -0.011 0.000 1.278 106 L HN 0.597 nan 8.230 nan 0.000 0.431 107 A N 2.138 124.971 122.820 0.021 0.000 2.304 107 A HA 0.520 4.841 4.320 0.000 0.000 0.314 107 A C -0.661 176.941 177.584 0.030 0.000 1.187 107 A CA -0.646 51.416 52.037 0.040 0.000 0.810 107 A CB 1.085 20.140 19.000 0.093 0.000 1.183 107 A HN 0.486 nan 8.150 nan 0.000 0.487 108 K N 2.249 122.659 120.400 0.016 0.000 2.250 108 K HA 0.220 4.540 4.320 0.000 0.000 0.285 108 K C -0.887 175.717 176.600 0.007 0.000 1.097 108 K CA -0.106 56.178 56.287 -0.005 0.000 0.913 108 K CB 0.047 32.540 32.500 -0.012 0.000 1.179 108 K HN 0.730 nan 8.250 nan 0.000 0.462 109 C N 3.890 123.163 119.300 -0.045 0.000 2.218 109 C HA 0.160 4.620 4.460 0.000 0.000 0.353 109 C C 1.629 176.463 174.990 -0.259 0.000 1.070 109 C CA -0.677 58.208 59.018 -0.223 0.000 1.497 109 C CB -0.944 26.561 27.740 -0.392 0.000 1.951 109 C HN 0.696 nan 8.230 nan 0.000 0.493 110 E N 1.187 121.338 120.200 -0.081 0.000 2.482 110 E HA 0.003 4.353 4.350 0.000 0.000 0.196 110 E C 1.320 177.930 176.600 0.018 0.000 1.047 110 E CA 0.462 56.862 56.400 -0.001 0.000 0.869 110 E CB -0.131 29.611 29.700 0.070 0.000 0.836 110 E HN 0.845 nan 8.360 nan 0.000 0.520 111 F N -2.487 117.488 119.950 0.042 0.000 2.771 111 F HA 0.153 4.680 4.527 0.000 0.000 0.299 111 F C 0.876 176.570 175.800 -0.177 0.000 1.177 111 F CA 0.048 58.002 58.000 -0.076 0.000 1.450 111 F CB -0.581 38.333 39.000 -0.143 0.000 1.114 111 F HN -0.090 nan 8.300 nan 0.000 0.587 112 F N 0.277 120.097 119.950 -0.215 0.000 2.727 112 F HA 0.184 4.711 4.527 0.000 0.000 0.302 112 F C 0.983 176.754 175.800 -0.048 0.000 1.097 112 F CA -0.494 57.431 58.000 -0.126 0.000 1.330 112 F CB -0.373 38.490 39.000 -0.227 0.000 1.084 112 F HN -0.125 nan 8.300 nan 0.000 0.578 113 N N 0.704 119.470 118.700 0.109 0.000 2.453 113 N HA 0.052 4.792 4.740 0.000 0.000 0.253 113 N C 1.416 176.968 175.510 0.071 0.000 1.252 113 N CA 0.679 53.775 53.050 0.077 0.000 0.917 113 N CB 0.900 39.422 38.487 0.057 0.000 1.117 113 N HN 0.146 nan 8.380 nan 0.000 0.442 114 A N 2.027 124.880 122.820 0.055 0.000 1.954 114 A HA -0.200 4.120 4.320 0.000 0.000 0.222 114 A C 1.786 179.394 177.584 0.039 0.000 1.199 114 A CA 2.372 54.437 52.037 0.046 0.000 0.657 114 A CB -0.956 18.064 19.000 0.033 0.000 0.823 114 A HN 0.737 nan 8.150 nan 0.000 0.463 115 G N -3.102 105.720 108.800 0.036 0.000 3.088 115 G HA2 0.398 4.358 3.960 0.000 0.000 0.217 115 G HA3 0.398 4.358 3.960 0.000 0.000 0.217 115 G C 1.134 176.054 174.900 0.032 0.000 1.159 115 G CA 0.685 45.802 45.100 0.029 0.000 0.760 115 G HN 1.741 nan 8.290 nan 0.000 0.550 116 G N -0.573 108.256 108.800 0.049 0.000 2.157 116 G HA2 -0.065 3.895 3.960 0.000 0.000 0.239 116 G HA3 -0.065 3.895 3.960 0.000 0.000 0.239 116 G C 0.328 175.287 174.900 0.098 0.000 0.982 116 G CA 0.763 45.903 45.100 0.065 0.000 0.650 116 G HN 1.684 nan 8.290 nan 0.000 0.527 117 S N -2.360 113.392 115.700 0.086 0.000 2.638 117 S HA 0.670 5.140 4.470 0.000 0.000 0.274 117 S C 0.710 175.365 174.600 0.091 0.000 1.157 117 S CA 0.310 58.571 58.200 0.102 0.000 0.826 117 S CB 1.739 64.989 63.200 0.084 0.000 1.139 117 S HN 1.404 nan 8.310 nan 0.000 0.474 118 V N 1.440 121.416 119.914 0.102 0.000 2.913 118 V HA -0.010 4.110 4.120 0.000 0.000 0.260 118 V C 1.752 177.913 176.094 0.113 0.000 1.098 118 V CA 1.485 63.852 62.300 0.113 0.000 1.121 118 V CB -0.890 30.999 31.823 0.110 0.000 0.714 118 V HN 0.817 nan 8.190 nan 0.000 0.487 119 K N 0.236 120.684 120.400 0.080 0.000 2.283 119 K HA -0.092 4.228 4.320 0.000 0.000 0.202 119 K C 1.625 178.240 176.600 0.025 0.000 1.048 119 K CA 1.235 57.553 56.287 0.051 0.000 0.948 119 K CB -0.505 32.018 32.500 0.038 0.000 0.742 119 K HN 0.540 nan 8.250 nan 0.000 0.458 120 D N 0.679 121.097 120.400 0.030 0.000 2.221 120 D HA -0.130 4.510 4.640 0.000 0.000 0.204 120 D C 1.947 178.243 176.300 -0.006 0.000 0.982 120 D CA 0.833 54.843 54.000 0.015 0.000 0.857 120 D CB 0.007 40.822 40.800 0.026 0.000 0.934 120 D HN 0.202 nan 8.370 nan 0.000 0.475 121 R N 0.372 120.862 120.500 -0.016 0.000 2.064 121 R HA -0.023 4.317 4.340 0.000 0.000 0.228 121 R C 2.664 178.898 176.300 -0.111 0.000 1.144 121 R CA 1.164 57.220 56.100 -0.073 0.000 0.932 121 R CB -0.509 29.717 30.300 -0.123 0.000 0.833 121 R HN 0.305 nan 8.270 nan 0.000 0.429 122 I N -1.031 119.465 120.570 -0.122 0.000 2.454 122 I HA -0.160 4.010 4.170 0.000 0.000 0.254 122 I C 1.716 177.788 176.117 -0.074 0.000 1.156 122 I CA 1.467 62.696 61.300 -0.118 0.000 1.433 122 I CB -0.181 37.768 38.000 -0.086 0.000 1.082 122 I HN -0.058 nan 8.210 nan 0.000 0.432 123 S N 1.608 117.279 115.700 -0.048 0.000 2.345 123 S HA -0.094 4.376 4.470 0.000 0.000 0.220 123 S C 1.880 176.459 174.600 -0.035 0.000 1.031 123 S CA 1.567 59.745 58.200 -0.036 0.000 0.996 123 S CB -0.588 62.603 63.200 -0.016 0.000 0.882 123 S HN 0.511 nan 8.310 nan 0.000 0.445 124 L N 2.158 123.364 121.223 -0.027 0.000 2.012 124 L HA -0.040 4.300 4.340 0.000 0.000 0.210 124 L C 2.266 179.119 176.870 -0.030 0.000 1.073 124 L CA 1.816 56.646 54.840 -0.017 0.000 0.748 124 L CB -0.608 41.443 42.059 -0.014 0.000 0.891 124 L HN 0.075 nan 8.230 nan 0.000 0.431 125 R N -0.748 119.721 120.500 -0.052 0.000 2.092 125 R HA -0.089 4.251 4.340 0.000 0.000 0.231 125 R C 2.149 178.416 176.300 -0.056 0.000 1.119 125 R CA 1.920 57.985 56.100 -0.058 0.000 0.970 125 R CB -0.443 29.801 30.300 -0.092 0.000 0.864 125 R HN 0.450 nan 8.270 nan 0.000 0.440 126 M N -0.785 118.776 119.600 -0.066 0.000 2.200 126 M HA -0.056 4.424 4.480 0.000 0.000 0.265 126 M C 1.992 178.241 176.300 -0.084 0.000 1.066 126 M CA 1.393 56.650 55.300 -0.071 0.000 1.127 126 M CB -0.116 32.441 32.600 -0.072 0.000 1.379 126 M HN 0.139 nan 8.290 nan 0.000 0.420 127 I N -0.103 120.417 120.570 -0.082 0.000 2.202 127 I HA -0.269 3.901 4.170 0.000 0.000 0.242 127 I C 2.153 178.230 176.117 -0.068 0.000 1.091 127 I CA 1.403 62.638 61.300 -0.109 0.000 1.368 127 I CB -0.330 37.631 38.000 -0.065 0.000 1.058 127 I HN 0.318 nan 8.210 nan 0.000 0.410 128 E N 0.670 120.856 120.200 -0.024 0.000 2.085 128 E HA -0.251 4.099 4.350 0.000 0.000 0.194 128 E C 1.693 178.292 176.600 -0.002 0.000 0.994 128 E CA 1.425 57.827 56.400 0.003 0.000 0.801 128 E CB -0.023 29.686 29.700 0.016 0.000 0.743 128 E HN 0.409 nan 8.360 nan 0.000 0.453 129 D N -0.011 120.383 120.400 -0.010 0.000 2.178 129 D HA -0.103 4.537 4.640 0.000 0.000 0.201 129 D C 1.720 177.997 176.300 -0.038 0.000 0.980 129 D CA 1.118 55.119 54.000 0.001 0.000 0.842 129 D CB -0.138 40.661 40.800 -0.001 0.000 0.948 129 D HN 0.166 nan 8.370 nan 0.000 0.472 130 A N 0.519 123.292 122.820 -0.078 0.000 2.014 130 A HA -0.120 4.200 4.320 0.000 0.000 0.218 130 A C 2.008 179.519 177.584 -0.122 0.000 1.163 130 A CA 1.016 52.977 52.037 -0.126 0.000 0.652 130 A CB -0.232 18.641 19.000 -0.211 0.000 0.808 130 A HN 0.170 nan 8.150 nan 0.000 0.449 131 E N -0.684 119.468 120.200 -0.081 0.000 2.051 131 E HA -0.103 4.247 4.350 0.000 0.000 0.189 131 E C 2.279 178.860 176.600 -0.031 0.000 0.979 131 E CA 0.678 57.056 56.400 -0.037 0.000 0.803 131 E CB -0.161 29.550 29.700 0.018 0.000 0.761 131 E HN 0.520 nan 8.360 nan 0.000 0.451 132 R N 1.025 121.506 120.500 -0.032 0.000 2.105 132 R HA -0.180 4.160 4.340 0.000 0.000 0.239 132 R C 1.646 177.907 176.300 -0.065 0.000 1.135 132 R CA 1.478 57.547 56.100 -0.051 0.000 0.967 132 R CB -0.044 30.216 30.300 -0.066 0.000 0.861 132 R HN 0.079 nan 8.270 nan 0.000 0.442 133 D N -1.216 119.148 120.400 -0.059 0.000 2.218 133 D HA -0.081 4.559 4.640 0.000 0.000 0.204 133 D C 1.177 177.451 176.300 -0.043 0.000 0.976 133 D CA 1.618 55.586 54.000 -0.054 0.000 0.853 133 D CB 0.070 40.839 40.800 -0.052 0.000 0.939 133 D HN 0.566 nan 8.370 nan 0.000 0.481 134 G N -1.306 107.468 108.800 -0.043 0.000 2.213 134 G HA2 -0.324 3.636 3.960 0.000 0.000 0.236 134 G HA3 -0.324 3.636 3.960 0.000 0.000 0.236 134 G C 1.375 176.258 174.900 -0.030 0.000 0.991 134 G CA 0.896 45.980 45.100 -0.027 0.000 0.629 134 G HN 0.365 nan 8.290 nan 0.000 0.517 135 T N -0.017 114.500 114.554 -0.062 0.000 2.701 135 T HA 0.107 4.457 4.350 0.000 0.000 0.263 135 T C 0.994 175.556 174.700 -0.229 0.000 1.040 135 T CA 1.388 63.432 62.100 -0.094 0.000 1.147 135 T CB 0.006 68.795 68.868 -0.131 0.000 0.865 135 T HN 0.420 nan 8.240 nan 0.000 0.426 136 L N 2.929 123.962 121.223 -0.317 0.000 2.268 136 L HA 0.322 4.662 4.340 0.000 0.000 0.289 136 L C -0.322 176.501 176.870 -0.078 0.000 1.064 136 L CA -0.255 54.349 54.840 -0.394 0.000 0.824 136 L CB 0.065 41.835 42.059 -0.481 0.000 1.202 136 L HN -0.024 nan 8.230 nan 0.000 0.433 137 K N 5.814 126.237 120.400 0.038 0.000 2.098 137 K HA 0.466 4.786 4.320 0.000 0.000 0.261 137 K C -2.366 174.377 176.600 0.238 0.000 0.987 137 K CA -1.775 54.586 56.287 0.123 0.000 0.916 137 K CB 0.361 32.925 32.500 0.106 0.000 1.039 137 K HN 0.373 nan 8.250 nan 0.000 0.455 138 P HA -0.097 nan 4.420 nan 0.000 0.264 138 P C 0.527 177.880 177.300 0.090 0.000 1.183 138 P CA 1.128 64.272 63.100 0.074 0.000 0.763 138 P CB 0.414 32.115 31.700 0.001 0.000 0.807 139 G N 1.663 110.488 108.800 0.041 0.000 2.184 139 G HA2 -0.224 3.736 3.960 0.000 0.000 0.264 139 G HA3 -0.224 3.736 3.960 0.000 0.000 0.264 139 G C 0.206 175.221 174.900 0.191 0.000 0.975 139 G CA -0.083 45.065 45.100 0.080 0.000 0.642 139 G HN 0.476 nan 8.290 nan 0.000 0.536 140 D N 0.526 121.121 120.400 0.326 0.000 2.363 140 D HA 0.519 5.160 4.640 0.000 0.000 0.240 140 D C 0.764 177.202 176.300 0.229 0.000 1.236 140 D CA 0.721 54.874 54.000 0.254 0.000 0.927 140 D CB 0.549 41.503 40.800 0.258 0.000 1.150 140 D HN 0.089 nan 8.370 nan 0.000 0.458 141 T N 0.754 115.389 114.554 0.136 0.000 2.824 141 T HA 0.550 4.900 4.350 0.000 0.000 0.280 141 T C 0.154 174.879 174.700 0.042 0.000 0.995 141 T CA -0.504 61.641 62.100 0.076 0.000 1.009 141 T CB 0.596 69.478 68.868 0.023 0.000 0.955 141 T HN 0.121 nan 8.240 nan 0.000 0.452 142 I N 3.819 124.394 120.570 0.007 0.000 2.355 142 I HA 0.437 4.607 4.170 0.000 0.000 0.288 142 I C -0.422 175.669 176.117 -0.043 0.000 0.999 142 I CA -0.655 60.623 61.300 -0.036 0.000 1.163 142 I CB 1.199 39.152 38.000 -0.077 0.000 1.316 142 I HN 0.432 nan 8.210 nan 0.000 0.454 143 I N 5.801 126.324 120.570 -0.079 0.000 2.354 143 I HA 0.351 4.521 4.170 0.000 0.000 0.292 143 I C -0.325 175.725 176.117 -0.111 0.000 0.989 143 I CA -0.398 60.844 61.300 -0.096 0.000 1.188 143 I CB 1.717 39.630 38.000 -0.144 0.000 1.342 143 I HN 0.506 nan 8.210 nan 0.000 0.457 144 E N 9.064 129.222 120.200 -0.069 0.000 2.260 144 E HA 0.429 4.779 4.350 0.000 0.000 0.266 144 E C -2.684 173.899 176.600 -0.028 0.000 0.887 144 E CA -2.126 54.243 56.400 -0.052 0.000 0.777 144 E CB 2.248 31.934 29.700 -0.023 0.000 1.205 144 E HN 0.128 nan 8.360 nan 0.000 0.414 145 P HA 0.257 nan 4.420 nan 0.000 0.284 145 P C -0.992 176.290 177.300 -0.029 0.000 1.432 145 P CA -0.307 62.737 63.100 -0.094 0.000 0.929 145 P CB 0.853 32.451 31.700 -0.170 0.000 1.158 146 T N 1.044 115.643 114.554 0.075 0.000 3.343 146 T HA 0.197 4.547 4.350 0.000 0.000 0.383 146 T C 0.509 175.313 174.700 0.173 0.000 1.615 146 T CA -0.263 61.941 62.100 0.173 0.000 1.153 146 T CB 0.312 69.270 68.868 0.151 0.000 1.434 146 T HN 0.156 nan 8.240 nan 0.000 0.476 147 S N 1.661 117.485 115.700 0.208 0.000 2.540 147 S HA 0.427 4.897 4.470 0.000 0.000 0.218 147 S C 1.168 175.845 174.600 0.128 0.000 0.977 147 S CA 0.132 58.425 58.200 0.155 0.000 0.918 147 S CB 0.350 63.647 63.200 0.160 0.000 0.806 147 S HN 0.946 nan 8.310 nan 0.000 0.496 148 G N 1.848 110.731 108.800 0.139 0.000 2.494 148 G HA2 0.246 4.206 3.960 0.000 0.000 0.270 148 G HA3 0.246 4.206 3.960 0.000 0.000 0.270 148 G C 0.580 175.524 174.900 0.073 0.000 1.423 148 G CA -0.602 44.569 45.100 0.118 0.000 1.055 148 G HN 0.273 nan 8.290 nan 0.000 0.536 149 N N -0.740 118.000 118.700 0.065 0.000 2.459 149 N HA -0.073 4.667 4.740 0.000 0.000 0.181 149 N C 2.224 177.754 175.510 0.033 0.000 1.046 149 N CA 0.963 54.040 53.050 0.044 0.000 0.904 149 N CB -0.057 38.464 38.487 0.056 0.000 0.964 149 N HN 0.358 nan 8.380 nan 0.000 0.444 150 T N -0.127 114.445 114.554 0.030 0.000 2.867 150 T HA -0.044 4.306 4.350 0.000 0.000 0.268 150 T C 1.890 176.599 174.700 0.015 0.000 1.057 150 T CA 1.192 63.298 62.100 0.011 0.000 1.136 150 T CB -0.317 68.543 68.868 -0.012 0.000 0.874 150 T HN 0.346 nan 8.240 nan 0.000 0.466 151 G N 1.377 110.195 108.800 0.030 0.000 2.404 151 G HA2 -0.113 3.847 3.960 0.000 0.000 0.215 151 G HA3 -0.113 3.847 3.960 0.000 0.000 0.215 151 G C 1.493 176.406 174.900 0.021 0.000 1.174 151 G CA 0.418 45.535 45.100 0.029 0.000 0.780 151 G HN 0.486 nan 8.290 nan 0.000 0.537 152 I N 1.274 121.856 120.570 0.020 0.000 2.252 152 I HA -0.062 4.108 4.170 0.000 0.000 0.245 152 I C 3.086 179.213 176.117 0.016 0.000 1.102 152 I CA 0.934 62.243 61.300 0.014 0.000 1.385 152 I CB -0.488 37.516 38.000 0.007 0.000 1.064 152 I HN 0.240 nan 8.210 nan 0.000 0.414 153 G N 1.293 110.103 108.800 0.017 0.000 2.459 153 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 153 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 153 G C 1.706 176.615 174.900 0.015 0.000 1.183 153 G CA 0.646 45.755 45.100 0.015 0.000 0.776 153 G HN 0.259 nan 8.290 nan 0.000 0.552 154 L N 0.752 121.981 121.223 0.010 0.000 2.046 154 L HA -0.068 4.272 4.340 0.000 0.000 0.208 154 L C 3.443 180.330 176.870 0.028 0.000 1.077 154 L CA 1.027 55.874 54.840 0.010 0.000 0.747 154 L CB -0.465 41.592 42.059 -0.004 0.000 0.896 154 L HN 0.311 nan 8.230 nan 0.000 0.432 155 A N 0.185 123.020 122.820 0.025 0.000 1.883 155 A HA -0.250 4.070 4.320 0.000 0.000 0.217 155 A C 2.210 179.815 177.584 0.034 0.000 1.186 155 A CA 1.989 54.044 52.037 0.030 0.000 0.624 155 A CB -0.804 18.209 19.000 0.022 0.000 0.822 155 A HN 0.331 nan 8.150 nan 0.000 0.444 156 L N -0.070 121.170 121.223 0.027 0.000 1.989 156 L HA -0.093 4.247 4.340 0.000 0.000 0.211 156 L C 2.612 179.503 176.870 0.034 0.000 1.071 156 L CA 2.616 57.471 54.840 0.026 0.000 0.749 156 L CB -1.134 40.937 42.059 0.021 0.000 0.890 156 L HN 0.337 nan 8.230 nan 0.000 0.431 157 A N -0.601 122.245 122.820 0.043 0.000 1.972 157 A HA -0.035 4.285 4.320 0.000 0.000 0.219 157 A C 2.425 180.071 177.584 0.104 0.000 1.169 157 A CA 1.773 53.846 52.037 0.061 0.000 0.635 157 A CB -1.112 17.923 19.000 0.058 0.000 0.810 157 A HN 0.655 nan 8.150 nan 0.000 0.446 158 A N -0.019 122.870 122.820 0.114 0.000 1.873 158 A HA 0.185 4.505 4.320 0.000 0.000 0.215 158 A C 2.504 180.138 177.584 0.084 0.000 1.186 158 A CA 1.953 54.094 52.037 0.173 0.000 0.616 158 A CB -1.053 18.031 19.000 0.140 0.000 0.823 158 A HN 1.065 nan 8.150 nan 0.000 0.442 159 A N -0.645 122.202 122.820 0.046 0.000 1.972 159 A HA 0.039 4.359 4.320 0.000 0.000 0.219 159 A C 2.177 179.755 177.584 -0.009 0.000 1.169 159 A CA 1.802 53.847 52.037 0.014 0.000 0.635 159 A CB -0.713 18.295 19.000 0.013 0.000 0.810 159 A HN 0.387 nan 8.150 nan 0.000 0.446 160 V N 0.041 119.953 119.914 -0.002 0.000 2.407 160 V HA -0.132 3.988 4.120 0.000 0.000 0.245 160 V C 2.419 178.480 176.094 -0.057 0.000 1.041 160 V CA 1.650 63.939 62.300 -0.018 0.000 1.040 160 V CB -0.687 31.135 31.823 -0.002 0.000 0.671 160 V HN 0.465 nan 8.190 nan 0.000 0.455 161 R N 0.480 120.936 120.500 -0.074 0.000 2.275 161 R HA 0.181 4.521 4.340 0.000 0.000 0.199 161 R C 1.558 177.604 176.300 -0.423 0.000 0.989 161 R CA 0.850 56.825 56.100 -0.209 0.000 1.016 161 R CB -0.421 29.785 30.300 -0.157 0.000 0.918 161 R HN 0.624 nan 8.270 nan 0.000 0.473 162 G N 0.838 109.456 108.800 -0.303 0.000 2.164 162 G HA2 -0.262 3.698 3.960 0.000 0.000 0.212 162 G HA3 -0.262 3.698 3.960 0.000 0.000 0.212 162 G C -0.480 174.220 174.900 -0.333 0.000 1.031 162 G CA -0.305 44.623 45.100 -0.286 0.000 0.730 162 G HN 0.329 nan 8.290 nan 0.000 0.501 163 Y N -0.664 119.636 120.300 -0.001 0.000 2.457 163 Y HA 0.649 5.199 4.550 0.000 0.000 0.333 163 Y C 0.949 176.852 175.900 0.004 0.000 1.119 163 Y CA -1.137 56.965 58.100 0.004 0.000 1.143 163 Y CB 1.138 39.598 38.460 0.001 0.000 1.230 163 Y HN 0.199 nan 8.280 nan 0.000 0.469 164 R N 1.591 122.205 120.500 0.190 0.000 2.410 164 R HA 0.493 4.833 4.340 0.000 0.000 0.288 164 R C -1.446 174.907 176.300 0.088 0.000 1.051 164 R CA -0.226 55.934 56.100 0.100 0.000 1.021 164 R CB 0.756 31.098 30.300 0.070 0.000 1.032 164 R HN 0.800 nan 8.270 nan 0.000 0.481 165 C N 6.523 125.858 119.300 0.057 0.000 2.441 165 C HA 0.608 5.068 4.460 0.000 0.000 0.318 165 C C -0.735 174.267 174.990 0.020 0.000 1.222 165 C CA -0.635 58.405 59.018 0.037 0.000 1.474 165 C CB 0.236 28.001 27.740 0.042 0.000 2.125 165 C HN 0.841 nan 8.230 nan 0.000 0.479 166 I N 6.955 127.528 120.570 0.005 0.000 2.439 166 I HA 0.397 4.567 4.170 0.000 0.000 0.283 166 I C -0.758 175.358 176.117 -0.002 0.000 1.023 166 I CA -0.313 60.987 61.300 0.001 0.000 1.100 166 I CB 1.351 39.345 38.000 -0.010 0.000 1.238 166 I HN 0.430 nan 8.210 nan 0.000 0.445 167 I N 7.039 127.616 120.570 0.012 0.000 2.392 167 I HA 0.350 4.520 4.170 0.000 0.000 0.295 167 I C -0.171 175.967 176.117 0.035 0.000 0.985 167 I CA -0.527 60.786 61.300 0.022 0.000 1.221 167 I CB 1.841 39.861 38.000 0.034 0.000 1.366 167 I HN 0.136 nan 8.210 nan 0.000 0.467 168 V N 7.306 127.246 119.914 0.044 0.000 2.407 168 V HA 0.616 4.736 4.120 0.000 0.000 0.291 168 V C -0.071 176.119 176.094 0.160 0.000 1.018 168 V CA -0.563 61.783 62.300 0.076 0.000 0.842 168 V CB 1.142 32.993 31.823 0.047 0.000 0.996 168 V HN 0.780 nan 8.190 nan 0.000 0.426 169 M N 4.636 124.350 119.600 0.190 0.000 2.631 169 M HA 0.791 5.271 4.480 0.000 0.000 0.288 169 M C -3.019 173.370 176.300 0.149 0.000 1.260 169 M CA -2.098 53.357 55.300 0.259 0.000 0.842 169 M CB 2.223 34.921 32.600 0.164 0.000 1.743 169 M HN 0.184 nan 8.290 nan 0.000 0.461 170 P HA -0.049 nan 4.420 nan 0.000 0.282 170 P C -0.248 177.061 177.300 0.014 0.000 1.273 170 P CA 0.194 63.275 63.100 -0.032 0.000 0.809 170 P CB 0.203 31.850 31.700 -0.088 0.000 1.246 171 E N -1.138 119.063 120.200 0.002 0.000 2.474 171 E HA 0.032 4.382 4.350 0.000 0.000 0.195 171 E C 0.390 177.002 176.600 0.019 0.000 1.039 171 E CA 0.265 56.674 56.400 0.014 0.000 0.881 171 E CB -0.016 29.689 29.700 0.008 0.000 0.970 171 E HN 0.134 nan 8.360 nan 0.000 0.486 172 K N 0.231 120.644 120.400 0.022 0.000 3.215 172 K HA 0.308 4.628 4.320 0.000 0.000 0.171 172 K C 0.003 176.629 176.600 0.043 0.000 1.127 172 K CA -0.257 56.050 56.287 0.034 0.000 1.421 172 K CB -0.084 32.440 32.500 0.039 0.000 1.962 172 K HN -0.091 nan 8.250 nan 0.000 0.478 173 M N 0.798 120.431 119.600 0.055 0.000 4.047 173 M HA -0.160 4.320 4.480 0.000 0.000 0.157 173 M C -0.839 175.488 176.300 0.046 0.000 1.532 173 M CA 0.095 55.430 55.300 0.058 0.000 1.097 173 M CB -1.502 31.133 32.600 0.057 0.000 1.346 173 M HN 0.444 nan 8.290 nan 0.000 0.190 174 S N 2.880 118.606 115.700 0.043 0.000 2.558 174 S HA 0.128 4.598 4.470 0.000 0.000 0.287 174 S C 1.278 175.876 174.600 -0.003 0.000 1.321 174 S CA -0.026 58.184 58.200 0.016 0.000 1.048 174 S CB 0.636 63.829 63.200 -0.012 0.000 0.844 174 S HN 0.720 nan 8.310 nan 0.000 0.512 175 S N 1.551 117.244 115.700 -0.012 0.000 2.406 175 S HA -0.078 4.392 4.470 0.000 0.000 0.228 175 S C 1.793 176.370 174.600 -0.037 0.000 1.020 175 S CA 0.729 58.918 58.200 -0.017 0.000 0.965 175 S CB -0.286 62.905 63.200 -0.014 0.000 0.798 175 S HN 0.671 nan 8.310 nan 0.000 0.488 176 E N 1.657 121.819 120.200 -0.063 0.000 2.114 176 E HA -0.148 4.202 4.350 0.000 0.000 0.199 176 E C 1.956 178.507 176.600 -0.082 0.000 1.008 176 E CA 1.376 57.721 56.400 -0.092 0.000 0.810 176 E CB -0.082 29.527 29.700 -0.152 0.000 0.739 176 E HN 0.449 nan 8.360 nan 0.000 0.456 177 K N -0.654 119.704 120.400 -0.070 0.000 2.098 177 K HA 0.038 4.358 4.320 0.000 0.000 0.203 177 K C 2.109 178.697 176.600 -0.019 0.000 1.051 177 K CA 0.810 57.068 56.287 -0.048 0.000 0.957 177 K CB 0.031 32.510 32.500 -0.035 0.000 0.738 177 K HN -0.039 nan 8.250 nan 0.000 0.447 178 V N 2.405 122.313 119.914 -0.010 0.000 2.343 178 V HA -0.244 3.876 4.120 0.000 0.000 0.247 178 V C 1.636 177.728 176.094 -0.003 0.000 1.051 178 V CA 1.859 64.159 62.300 0.001 0.000 1.036 178 V CB -0.355 31.473 31.823 0.008 0.000 0.654 178 V HN 0.302 nan 8.190 nan 0.000 0.451 179 D N -0.240 120.153 120.400 -0.012 0.000 2.178 179 D HA -0.094 4.546 4.640 0.000 0.000 0.202 179 D C 2.151 178.443 176.300 -0.013 0.000 0.974 179 D CA 1.052 55.045 54.000 -0.012 0.000 0.841 179 D CB 0.100 40.890 40.800 -0.017 0.000 0.953 179 D HN 0.337 nan 8.370 nan 0.000 0.478 180 V N 1.270 121.172 119.914 -0.019 0.000 2.358 180 V HA -0.178 3.942 4.120 0.000 0.000 0.246 180 V C 2.647 178.737 176.094 -0.007 0.000 1.047 180 V CA 0.923 63.212 62.300 -0.017 0.000 1.035 180 V CB -0.308 31.498 31.823 -0.028 0.000 0.658 180 V HN 0.171 nan 8.190 nan 0.000 0.452 181 L N -0.450 120.771 121.223 -0.003 0.000 2.017 181 L HA -0.187 4.153 4.340 0.000 0.000 0.208 181 L C 2.795 179.669 176.870 0.007 0.000 1.073 181 L CA 1.777 56.620 54.840 0.006 0.000 0.745 181 L CB -0.555 41.511 42.059 0.012 0.000 0.894 181 L HN 0.239 nan 8.230 nan 0.000 0.432 182 R N -0.253 120.250 120.500 0.005 0.000 2.120 182 R HA -0.124 4.216 4.340 0.000 0.000 0.234 182 R C 2.303 178.605 176.300 0.004 0.000 1.123 182 R CA 1.181 57.284 56.100 0.006 0.000 0.975 182 R CB -0.435 29.868 30.300 0.004 0.000 0.866 182 R HN 0.358 nan 8.270 nan 0.000 0.446 183 A N 0.985 123.805 122.820 0.001 0.000 1.968 183 A HA -0.029 4.291 4.320 0.000 0.000 0.217 183 A C 1.956 179.542 177.584 0.003 0.000 1.169 183 A CA 0.832 52.869 52.037 0.000 0.000 0.638 183 A CB -0.207 18.791 19.000 -0.004 0.000 0.812 183 A HN 0.176 nan 8.150 nan 0.000 0.446 184 L N -1.039 120.187 121.223 0.005 0.000 2.599 184 L HA 0.164 4.504 4.340 0.000 0.000 0.230 184 L C 1.636 178.513 176.870 0.012 0.000 1.141 184 L CA 0.568 55.414 54.840 0.009 0.000 0.877 184 L CB -0.153 41.913 42.059 0.011 0.000 1.009 184 L HN 0.575 nan 8.230 nan 0.000 0.447 185 G N -0.119 108.687 108.800 0.010 0.000 2.141 185 G HA2 -0.262 3.698 3.960 0.000 0.000 0.242 185 G HA3 -0.262 3.698 3.960 0.000 0.000 0.242 185 G C 0.351 175.260 174.900 0.016 0.000 0.982 185 G CA -0.017 45.090 45.100 0.012 0.000 0.662 185 G HN 0.486 nan 8.290 nan 0.000 0.527 186 A N 0.154 122.984 122.820 0.017 0.000 2.401 186 A HA 0.607 4.927 4.320 0.000 0.000 0.259 186 A C 0.465 178.059 177.584 0.017 0.000 1.103 186 A CA -0.005 52.043 52.037 0.019 0.000 0.789 186 A CB 0.324 19.335 19.000 0.020 0.000 1.035 186 A HN 0.491 nan 8.150 nan 0.000 0.491 187 E N 1.684 121.894 120.200 0.017 0.000 2.289 187 E HA 0.355 4.705 4.350 0.000 0.000 0.278 187 E C -0.803 175.807 176.600 0.017 0.000 1.032 187 E CA 0.105 56.514 56.400 0.015 0.000 0.854 187 E CB 1.006 30.713 29.700 0.013 0.000 1.046 187 E HN 0.567 nan 8.360 nan 0.000 0.409 188 I N 2.726 123.307 120.570 0.019 0.000 2.412 188 I HA 0.269 4.439 4.170 0.000 0.000 0.296 188 I C -0.489 175.644 176.117 0.027 0.000 0.987 188 I CA -0.994 60.321 61.300 0.025 0.000 1.180 188 I CB 1.671 39.687 38.000 0.027 0.000 1.340 188 I HN 0.186 nan 8.210 nan 0.000 0.455 189 V N 6.404 126.339 119.914 0.035 0.000 2.407 189 V HA 0.434 4.554 4.120 0.000 0.000 0.291 189 V C -0.120 176.004 176.094 0.050 0.000 1.018 189 V CA -0.796 61.526 62.300 0.036 0.000 0.842 189 V CB 1.659 33.502 31.823 0.033 0.000 0.996 189 V HN 0.605 nan 8.190 nan 0.000 0.426 190 R N 2.748 123.273 120.500 0.042 0.000 2.312 190 R HA 0.581 4.921 4.340 0.000 0.000 0.311 190 R C 0.128 176.454 176.300 0.043 0.000 1.004 190 R CA -0.326 55.800 56.100 0.044 0.000 0.902 190 R CB 1.796 32.114 30.300 0.031 0.000 1.073 190 R HN 0.841 nan 8.270 nan 0.000 0.457 191 T N -0.526 114.057 114.554 0.048 0.000 2.888 191 T HA 0.398 4.748 4.350 0.000 0.000 0.284 191 T C -1.554 173.156 174.700 0.016 0.000 1.017 191 T CA -1.780 60.345 62.100 0.041 0.000 1.022 191 T CB 2.196 71.105 68.868 0.069 0.000 1.013 191 T HN 0.213 nan 8.240 nan 0.000 0.465 192 P HA 0.030 nan 4.420 nan 0.000 0.199 192 P C 1.222 178.515 177.300 -0.012 0.000 1.118 192 P CA 2.070 65.170 63.100 -0.000 0.000 0.913 192 P CB -1.142 30.558 31.700 -0.000 0.000 0.738 202 S N -1.175 114.576 115.700 0.086 0.000 2.431 202 S HA -0.001 4.469 4.470 0.000 0.000 0.210 202 S C 1.934 176.632 174.600 0.163 0.000 1.013 202 S CA 1.696 59.939 58.200 0.071 0.000 0.920 202 S CB -0.982 62.229 63.200 0.019 0.000 0.882 202 S HN 1.189 nan 8.310 nan 0.000 0.567 203 H N 0.477 119.565 119.070 0.030 0.000 2.462 203 H HA 0.228 4.784 4.556 0.000 0.000 0.292 203 H C 1.808 177.185 175.328 0.082 0.000 1.049 203 H CA 0.823 56.902 56.048 0.052 0.000 1.334 203 H CB -0.333 29.469 29.762 0.067 0.000 1.404 203 H HN 0.262 nan 8.280 nan 0.000 0.544 204 V N 1.458 121.441 119.914 0.115 0.000 2.427 204 V HA -0.143 3.977 4.120 0.000 0.000 0.248 204 V C 2.817 178.992 176.094 0.134 0.000 1.051 204 V CA 1.682 64.014 62.300 0.054 0.000 1.048 204 V CB -0.779 31.089 31.823 0.076 0.000 0.666 204 V HN 0.748 nan 8.190 nan 0.000 0.456 205 G N 0.020 108.837 108.800 0.030 0.000 2.402 205 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 205 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 205 G C 1.621 176.563 174.900 0.070 0.000 1.162 205 G CA 1.172 46.260 45.100 -0.022 0.000 0.777 205 G HN 0.399 nan 8.290 nan 0.000 0.539 206 V N 1.483 121.440 119.914 0.071 0.000 2.515 206 V HA -0.074 4.046 4.120 0.000 0.000 0.250 206 V C 3.257 179.386 176.094 0.059 0.000 1.058 206 V CA 1.733 64.070 62.300 0.062 0.000 1.064 206 V CB -0.742 31.118 31.823 0.063 0.000 0.675 206 V HN 0.472 nan 8.190 nan 0.000 0.461 207 A N -0.436 122.425 122.820 0.068 0.000 1.851 207 A HA -0.246 4.074 4.320 0.000 0.000 0.216 207 A C 2.120 179.681 177.584 -0.038 0.000 1.195 207 A CA 1.849 53.881 52.037 -0.007 0.000 0.622 207 A CB -0.837 18.149 19.000 -0.024 0.000 0.831 207 A HN 0.645 nan 8.150 nan 0.000 0.444 208 W N 0.145 121.431 121.300 -0.022 0.000 2.392 208 W HA -0.101 4.559 4.660 0.000 0.000 0.279 208 W C 2.572 179.082 176.519 -0.014 0.000 1.225 208 W CA 1.609 58.950 57.345 -0.007 0.000 1.233 208 W CB -0.261 29.200 29.460 0.002 0.000 1.122 208 W HN 0.470 nan 8.180 nan 0.000 0.561 209 R N 0.588 121.179 120.500 0.152 0.000 2.062 209 R HA -0.164 4.176 4.340 0.000 0.000 0.231 209 R C 2.355 178.674 176.300 0.031 0.000 1.136 209 R CA 1.401 57.550 56.100 0.081 0.000 0.948 209 R CB -0.811 29.520 30.300 0.051 0.000 0.845 209 R HN 0.160 nan 8.270 nan 0.000 0.430 210 L N 1.150 122.375 121.223 0.003 0.000 2.079 210 L HA -0.186 4.154 4.340 0.000 0.000 0.210 210 L C 2.777 179.611 176.870 -0.060 0.000 1.081 210 L CA 1.592 56.416 54.840 -0.027 0.000 0.752 210 L CB -0.473 41.566 42.059 -0.034 0.000 0.896 210 L HN 0.267 nan 8.230 nan 0.000 0.433 211 K N 0.258 120.596 120.400 -0.104 0.000 2.103 211 K HA -0.186 4.134 4.320 0.000 0.000 0.207 211 K C 1.715 178.260 176.600 -0.092 0.000 1.048 211 K CA 1.541 57.734 56.287 -0.156 0.000 0.930 211 K CB 0.020 32.347 32.500 -0.288 0.000 0.716 211 K HN 0.366 nan 8.250 nan 0.000 0.444 212 N N 0.777 119.460 118.700 -0.030 0.000 2.446 212 N HA -0.076 4.664 4.740 0.000 0.000 0.179 212 N C 0.811 176.315 175.510 -0.010 0.000 1.054 212 N CA 0.844 53.893 53.050 -0.001 0.000 0.905 212 N CB 0.272 38.786 38.487 0.044 0.000 0.973 212 N HN 0.409 nan 8.380 nan 0.000 0.448 213 E N 0.134 120.325 120.200 -0.015 0.000 2.400 213 E HA 0.182 4.532 4.350 0.000 0.000 0.195 213 E C 0.097 176.684 176.600 -0.023 0.000 1.012 213 E CA 0.251 56.644 56.400 -0.013 0.000 0.875 213 E CB 0.743 30.440 29.700 -0.006 0.000 0.859 213 E HN 0.272 nan 8.360 nan 0.000 0.498 214 I N 2.470 123.016 120.570 -0.040 0.000 2.382 214 I HA 0.261 4.431 4.170 0.000 0.000 0.286 214 I C -2.489 173.591 176.117 -0.061 0.000 1.002 214 I CA -2.724 58.550 61.300 -0.044 0.000 1.135 214 I CB 1.473 39.445 38.000 -0.047 0.000 1.288 214 I HN -0.299 nan 8.210 nan 0.000 0.448 215 P HA 0.066 nan 4.420 nan 0.000 0.267 215 P C -0.276 176.985 177.300 -0.065 0.000 1.200 215 P CA 0.116 63.186 63.100 -0.049 0.000 0.772 215 P CB 0.269 31.955 31.700 -0.023 0.000 0.855 216 N N -1.199 117.445 118.700 -0.094 0.000 2.754 216 N HA -0.137 4.603 4.740 0.000 0.000 0.248 216 N C -0.692 174.685 175.510 -0.220 0.000 1.093 216 N CA 0.942 53.929 53.050 -0.105 0.000 0.699 216 N CB -1.706 36.790 38.487 0.015 0.000 1.016 216 N HN 0.289 nan 8.380 nan 0.000 0.552 217 S N 0.105 115.591 115.700 -0.358 0.000 2.578 217 S HA 0.513 4.983 4.470 0.000 0.000 0.283 217 S C -0.252 173.932 174.600 -0.693 0.000 1.195 217 S CA -0.442 57.544 58.200 -0.356 0.000 1.050 217 S CB 1.567 64.634 63.200 -0.223 0.000 1.012 217 S HN 0.221 nan 8.310 nan 0.000 0.511 218 H N 1.173 120.162 119.070 -0.135 0.000 2.947 218 H HA 0.377 4.933 4.556 0.000 0.000 0.354 218 H C -1.142 174.063 175.328 -0.205 0.000 1.085 218 H CA -0.448 55.505 56.048 -0.158 0.000 1.253 218 H CB 1.129 30.804 29.762 -0.145 0.000 1.757 218 H HN 0.401 nan 8.280 nan 0.000 0.523 219 I N 4.121 124.593 120.570 -0.162 0.000 2.330 219 I HA 0.051 4.222 4.170 0.000 0.000 0.286 219 I C 1.472 177.509 176.117 -0.133 0.000 1.025 219 I CA -0.241 60.901 61.300 -0.263 0.000 1.197 219 I CB 1.282 38.894 38.000 -0.647 0.000 1.358 219 I HN 0.448 nan 8.210 nan 0.000 0.467 220 L N 3.897 125.070 121.223 -0.084 0.000 1.994 220 L HA -0.117 4.223 4.340 0.000 0.000 0.208 220 L C 0.493 177.360 176.870 -0.005 0.000 1.071 220 L CA 1.006 55.816 54.840 -0.049 0.000 0.745 220 L CB -0.246 41.774 42.059 -0.065 0.000 0.892 220 L HN 0.733 nan 8.230 nan 0.000 0.431 221 D N -0.055 120.352 120.400 0.011 0.000 4.161 221 D HA -0.179 4.461 4.640 0.000 0.000 0.246 221 D C 1.099 177.436 176.300 0.063 0.000 1.064 221 D CA 0.777 54.839 54.000 0.103 0.000 1.187 221 D CB -0.143 40.785 40.800 0.213 0.000 0.871 221 D HN 0.598 nan 8.370 nan 0.000 0.413 222 Q N 1.412 121.200 119.800 -0.021 0.000 2.291 222 Q HA -0.205 4.136 4.340 0.000 0.000 0.206 222 Q C 1.239 177.106 176.000 -0.221 0.000 0.976 222 Q CA 1.174 56.882 55.803 -0.159 0.000 0.875 222 Q CB -0.275 28.292 28.738 -0.284 0.000 0.927 222 Q HN 0.705 nan 8.270 nan 0.000 0.450 223 Y N 0.679 120.993 120.300 0.024 0.000 2.457 223 Y HA 0.098 4.648 4.550 0.000 0.000 0.292 223 Y C 1.946 177.858 175.900 0.020 0.000 1.125 223 Y CA 0.772 58.874 58.100 0.003 0.000 1.254 223 Y CB 0.379 38.848 38.460 0.016 0.000 1.012 223 Y HN 0.058 nan 8.280 nan 0.000 0.555 224 R N -1.423 119.169 120.500 0.154 0.000 2.435 224 R HA 0.084 4.424 4.340 0.000 0.000 0.221 224 R C 0.132 176.464 176.300 0.053 0.000 0.885 224 R CA -0.126 56.035 56.100 0.101 0.000 1.018 224 R CB 0.179 30.548 30.300 0.115 0.000 1.259 224 R HN -0.016 nan 8.270 nan 0.000 0.597 225 N N 1.871 120.592 118.700 0.036 0.000 2.416 225 N HA 0.024 4.764 4.740 0.000 0.000 0.265 225 N C 0.767 176.256 175.510 -0.036 0.000 1.195 225 N CA 0.148 53.200 53.050 0.003 0.000 0.943 225 N CB 1.459 39.942 38.487 -0.008 0.000 1.115 225 N HN 0.160 nan 8.380 nan 0.000 0.481 226 A N 3.351 126.141 122.820 -0.051 0.000 2.042 226 A HA -0.181 4.139 4.320 0.000 0.000 0.222 226 A C 2.171 179.668 177.584 -0.145 0.000 1.167 226 A CA 1.772 53.735 52.037 -0.123 0.000 0.649 226 A CB -0.422 18.472 19.000 -0.177 0.000 0.809 226 A HN 0.716 nan 8.150 nan 0.000 0.457 227 S N 0.254 115.892 115.700 -0.105 0.000 2.419 227 S HA -0.209 4.261 4.470 0.000 0.000 0.235 227 S C 1.952 176.486 174.600 -0.111 0.000 1.019 227 S CA 1.270 59.408 58.200 -0.103 0.000 0.982 227 S CB -0.475 62.679 63.200 -0.076 0.000 0.789 227 S HN 0.814 nan 8.310 nan 0.000 0.490 228 N N 2.266 120.909 118.700 -0.094 0.000 2.048 228 N HA -0.044 4.696 4.740 0.000 0.000 0.193 228 N C -0.945 174.537 175.510 -0.046 0.000 1.061 228 N CA 1.560 54.562 53.050 -0.080 0.000 0.849 228 N CB -1.236 37.216 38.487 -0.058 0.000 1.044 228 N HN 0.202 nan 8.380 nan 0.000 0.429 229 P HA -0.105 nan 4.420 nan 0.000 0.219 229 P C 1.763 179.056 177.300 -0.011 0.000 1.146 229 P CA 1.016 64.123 63.100 0.012 0.000 0.808 229 P CB -0.036 31.622 31.700 -0.071 0.000 0.779 230 L N -0.508 120.663 121.223 -0.086 0.000 2.093 230 L HA -0.125 4.215 4.340 0.000 0.000 0.208 230 L C 2.843 179.710 176.870 -0.005 0.000 1.085 230 L CA 1.401 56.213 54.840 -0.046 0.000 0.755 230 L CB -1.143 40.831 42.059 -0.141 0.000 0.904 230 L HN -0.045 nan 8.230 nan 0.000 0.435 231 A N -0.433 122.311 122.820 -0.126 0.000 1.892 231 A HA -0.262 4.058 4.320 0.000 0.000 0.218 231 A C 2.103 179.566 177.584 -0.200 0.000 1.188 231 A CA 1.742 53.650 52.037 -0.214 0.000 0.631 231 A CB -0.831 17.940 19.000 -0.382 0.000 0.822 231 A HN 0.444 nan 8.150 nan 0.000 0.447 232 H N -2.953 116.120 119.070 0.005 0.000 2.457 232 H HA -0.104 4.452 4.556 0.000 0.000 0.294 232 H C 1.896 177.245 175.328 0.034 0.000 1.064 232 H CA 1.713 57.763 56.048 0.003 0.000 1.330 232 H CB -0.416 29.337 29.762 -0.015 0.000 1.395 232 H HN 0.745 nan 8.280 nan 0.000 0.541 233 Y N 1.796 122.108 120.300 0.020 0.000 2.286 233 Y HA -0.095 4.455 4.550 0.000 0.000 0.293 233 Y C 1.550 177.440 175.900 -0.018 0.000 1.124 233 Y CA 1.067 59.155 58.100 -0.020 0.000 1.178 233 Y CB 0.238 38.669 38.460 -0.047 0.000 1.010 233 Y HN -0.022 nan 8.280 nan 0.000 0.536 234 D N -1.146 119.293 120.400 0.066 0.000 2.183 234 D HA -0.068 4.572 4.640 0.000 0.000 0.205 234 D C 2.062 178.320 176.300 -0.071 0.000 0.962 234 D CA 1.987 55.973 54.000 -0.024 0.000 0.849 234 D CB -0.112 40.726 40.800 0.063 0.000 0.978 234 D HN 0.533 nan 8.370 nan 0.000 0.488 235 T N -2.982 111.543 114.554 -0.049 0.000 3.205 235 T HA 0.009 4.359 4.350 0.000 0.000 0.238 235 T C 2.006 176.688 174.700 -0.029 0.000 0.974 235 T CA 0.895 62.967 62.100 -0.048 0.000 1.246 235 T CB -0.634 68.204 68.868 -0.049 0.000 1.007 235 T HN -0.127 nan 8.240 nan 0.000 0.414 236 T N 2.909 117.472 114.554 0.015 0.000 2.665 236 T HA -0.030 4.320 4.350 0.000 0.000 0.268 236 T C 2.384 177.089 174.700 0.007 0.000 1.035 236 T CA 1.742 63.874 62.100 0.052 0.000 1.151 236 T CB -1.018 67.972 68.868 0.202 0.000 0.862 236 T HN 0.596 nan 8.240 nan 0.000 0.438 237 A N 1.917 124.733 122.820 -0.007 0.000 1.877 237 A HA -0.163 4.157 4.320 0.000 0.000 0.216 237 A C 2.197 179.735 177.584 -0.077 0.000 1.186 237 A CA 1.831 53.838 52.037 -0.049 0.000 0.620 237 A CB -0.765 18.188 19.000 -0.078 0.000 0.822 237 A HN 0.350 nan 8.150 nan 0.000 0.443 238 D N -0.384 119.956 120.400 -0.100 0.000 2.117 238 D HA -0.110 4.530 4.640 0.000 0.000 0.197 238 D C 2.022 178.281 176.300 -0.068 0.000 0.987 238 D CA 1.391 55.331 54.000 -0.100 0.000 0.829 238 D CB -0.325 40.407 40.800 -0.115 0.000 0.961 238 D HN 0.646 nan 8.370 nan 0.000 0.460 239 E N 0.221 120.388 120.200 -0.054 0.000 2.051 239 E HA -0.141 4.209 4.350 0.000 0.000 0.192 239 E C 2.397 178.970 176.600 -0.045 0.000 0.991 239 E CA 0.530 56.902 56.400 -0.046 0.000 0.799 239 E CB -0.061 29.616 29.700 -0.038 0.000 0.748 239 E HN 0.312 nan 8.360 nan 0.000 0.449 240 I N 1.133 121.678 120.570 -0.042 0.000 2.118 240 I HA -0.334 3.836 4.170 0.000 0.000 0.241 240 I C 2.449 178.541 176.117 -0.042 0.000 1.070 240 I CA 1.258 62.534 61.300 -0.040 0.000 1.327 240 I CB -0.347 37.629 38.000 -0.039 0.000 1.034 240 I HN 0.136 nan 8.210 nan 0.000 0.405 241 L N 0.007 121.201 121.223 -0.047 0.000 2.046 241 L HA -0.256 4.084 4.340 0.000 0.000 0.208 241 L C 2.687 179.533 176.870 -0.041 0.000 1.077 241 L CA 1.396 56.209 54.840 -0.045 0.000 0.747 241 L CB -0.635 41.393 42.059 -0.053 0.000 0.896 241 L HN 0.294 nan 8.230 nan 0.000 0.432 242 Q N 0.470 120.244 119.800 -0.044 0.000 2.096 242 Q HA -0.259 4.081 4.340 0.000 0.000 0.204 242 Q C 2.130 178.108 176.000 -0.037 0.000 0.982 242 Q CA 1.775 57.554 55.803 -0.040 0.000 0.850 242 Q CB -0.155 28.557 28.738 -0.043 0.000 0.901 242 Q HN 0.469 nan 8.270 nan 0.000 0.422 243 Q N -1.574 118.203 119.800 -0.039 0.000 2.369 243 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 243 Q C 1.365 177.346 176.000 -0.032 0.000 0.963 243 Q CA 1.041 56.822 55.803 -0.038 0.000 0.894 243 Q CB 0.216 28.928 28.738 -0.042 0.000 0.965 243 Q HN 0.422 nan 8.270 nan 0.000 0.475 244 C N 0.527 119.809 119.300 -0.031 0.000 3.038 244 C HA 0.100 4.560 4.460 0.000 0.000 0.279 244 C C -0.056 174.920 174.990 -0.024 0.000 1.276 244 C CA -0.542 58.460 59.018 -0.027 0.000 1.697 244 C CB -0.253 27.471 27.740 -0.027 0.000 2.032 244 C HN 0.504 nan 8.230 nan 0.000 0.636 245 D N 0.351 120.735 120.400 -0.026 0.000 2.837 245 D HA -0.179 4.461 4.640 0.000 0.000 0.230 245 D C 1.328 177.615 176.300 -0.022 0.000 1.152 245 D CA 1.447 55.433 54.000 -0.023 0.000 0.736 245 D CB -1.355 39.434 40.800 -0.020 0.000 1.084 245 D HN 0.777 nan 8.370 nan 0.000 0.429 246 G N -0.255 108.530 108.800 -0.025 0.000 2.184 246 G HA2 -0.366 3.594 3.960 0.000 0.000 0.264 246 G HA3 -0.366 3.594 3.960 0.000 0.000 0.264 246 G C 0.211 175.100 174.900 -0.019 0.000 0.975 246 G CA 0.839 45.925 45.100 -0.023 0.000 0.642 246 G HN 0.457 nan 8.290 nan 0.000 0.536 247 K N 0.075 120.464 120.400 -0.018 0.000 2.263 247 K HA 0.788 5.108 4.320 0.000 0.000 0.272 247 K C -0.351 176.238 176.600 -0.018 0.000 1.033 247 K CA -0.454 55.824 56.287 -0.016 0.000 0.884 247 K CB 2.028 34.520 32.500 -0.014 0.000 1.107 247 K HN 0.287 nan 8.250 nan 0.000 0.460 248 L N 1.951 123.163 121.223 -0.017 0.000 2.591 248 L HA 0.290 4.630 4.340 0.000 0.000 0.257 248 L C -1.014 175.846 176.870 -0.018 0.000 0.935 248 L CA -0.289 54.538 54.840 -0.020 0.000 0.873 248 L CB 2.192 44.236 42.059 -0.025 0.000 1.397 248 L HN 0.682 nan 8.230 nan 0.000 0.414 249 D N 3.752 124.141 120.400 -0.020 0.000 2.498 249 D HA 0.231 4.871 4.640 0.000 0.000 0.223 249 D C -0.249 176.037 176.300 -0.023 0.000 1.125 249 D CA 0.333 54.322 54.000 -0.017 0.000 0.835 249 D CB 1.742 42.535 40.800 -0.013 0.000 1.086 249 D HN 0.374 nan 8.370 nan 0.000 0.510 250 M N 1.261 120.842 119.600 -0.033 0.000 2.426 250 M HA 0.325 4.805 4.480 0.000 0.000 0.289 250 M C -2.465 173.800 176.300 -0.059 0.000 1.168 250 M CA -0.727 54.546 55.300 -0.045 0.000 0.933 250 M CB 2.876 35.446 32.600 -0.049 0.000 1.750 250 M HN -0.119 nan 8.290 nan 0.000 0.494 251 L N 4.740 125.920 121.223 -0.073 0.000 2.406 251 L HA 0.790 5.130 4.340 0.000 0.000 0.272 251 L C -1.918 174.882 176.870 -0.116 0.000 0.980 251 L CA -0.403 54.384 54.840 -0.087 0.000 0.831 251 L CB 2.123 44.132 42.059 -0.083 0.000 1.253 251 L HN 0.515 nan 8.230 nan 0.000 0.406 252 V N 4.647 124.484 119.914 -0.127 0.000 2.409 252 V HA 0.942 5.062 4.120 0.000 0.000 0.291 252 V C -0.085 175.920 176.094 -0.149 0.000 1.020 252 V CA -0.109 62.097 62.300 -0.158 0.000 0.848 252 V CB 1.212 32.924 31.823 -0.185 0.000 0.990 252 V HN 0.956 nan 8.190 nan 0.000 0.430 253 A N 3.513 126.234 122.820 -0.164 0.000 2.486 253 A HA 0.835 5.155 4.320 0.000 0.000 0.300 253 A C -0.133 177.368 177.584 -0.140 0.000 1.048 253 A CA -0.478 51.471 52.037 -0.147 0.000 0.696 253 A CB 1.892 20.798 19.000 -0.157 0.000 1.278 253 A HN 0.969 nan 8.150 nan 0.000 0.405 254 S N 0.598 116.234 115.700 -0.106 0.000 2.601 254 S HA 0.657 5.127 4.470 0.000 0.000 0.271 254 S C -0.142 174.438 174.600 -0.034 0.000 1.305 254 S CA -0.494 57.665 58.200 -0.068 0.000 1.022 254 S CB 1.141 64.296 63.200 -0.074 0.000 0.940 254 S HN 1.056 nan 8.310 nan 0.000 0.525 255 V N 2.291 122.230 119.914 0.042 0.000 2.495 255 V HA 0.720 4.840 4.120 0.000 0.000 0.298 255 V C 0.940 177.105 176.094 0.118 0.000 1.031 255 V CA -0.100 62.255 62.300 0.092 0.000 0.871 255 V CB 1.112 33.072 31.823 0.228 0.000 0.988 255 V HN 1.137 nan 8.190 nan 0.000 0.432 256 G N 2.259 111.109 108.800 0.084 0.000 2.485 256 G HA2 0.071 4.031 3.960 0.000 0.000 0.192 256 G HA3 0.071 4.031 3.960 0.000 0.000 0.192 256 G C 1.233 176.166 174.900 0.055 0.000 1.368 256 G CA 0.938 46.097 45.100 0.099 0.000 0.685 256 G HN 0.680 nan 8.290 nan 0.000 0.608 257 T N -2.516 112.008 114.554 -0.049 0.000 3.044 257 T HA 0.381 4.731 4.350 0.000 0.000 0.255 257 T C 1.938 176.633 174.700 -0.007 0.000 1.073 257 T CA 1.304 63.327 62.100 -0.129 0.000 1.125 257 T CB 0.281 68.947 68.868 -0.337 0.000 0.908 257 T HN 1.703 nan 8.240 nan 0.000 0.480 258 G N 0.236 109.037 108.800 0.003 0.000 2.179 258 G HA2 -0.159 3.801 3.960 0.000 0.000 0.220 258 G HA3 -0.159 3.801 3.960 0.000 0.000 0.220 258 G C 1.153 176.038 174.900 -0.026 0.000 0.990 258 G CA 0.132 45.246 45.100 0.023 0.000 0.646 258 G HN 0.869 nan 8.290 nan 0.000 0.517 259 G N 0.454 109.234 108.800 -0.032 0.000 2.545 259 G HA2 -0.119 3.841 3.960 0.000 0.000 0.217 259 G HA3 -0.119 3.841 3.960 0.000 0.000 0.217 259 G C 1.748 176.624 174.900 -0.040 0.000 1.218 259 G CA 2.607 47.718 45.100 0.019 0.000 0.787 259 G HN 0.775 nan 8.290 nan 0.000 0.571 260 T N 0.986 115.359 114.554 -0.301 0.000 2.570 260 T HA -0.197 4.153 4.350 0.000 0.000 0.266 260 T C 2.291 176.812 174.700 -0.298 0.000 1.071 260 T CA 1.358 63.067 62.100 -0.651 0.000 1.172 260 T CB -0.300 68.223 68.868 -0.576 0.000 0.864 260 T HN 0.226 nan 8.240 nan 0.000 0.421 261 I N 0.558 121.006 120.570 -0.203 0.000 2.286 261 I HA -0.208 3.962 4.170 0.000 0.000 0.248 261 I C 2.329 178.368 176.117 -0.130 0.000 1.115 261 I CA 1.286 62.487 61.300 -0.166 0.000 1.392 261 I CB -0.199 37.689 38.000 -0.187 0.000 1.065 261 I HN 0.280 nan 8.210 nan 0.000 0.418 262 T N 0.159 114.650 114.554 -0.106 0.000 2.777 262 T HA -0.064 4.286 4.350 0.000 0.000 0.266 262 T C 1.680 176.308 174.700 -0.120 0.000 1.040 262 T CA 1.242 63.274 62.100 -0.114 0.000 1.141 262 T CB -0.700 68.109 68.868 -0.098 0.000 0.868 262 T HN 0.589 nan 8.240 nan 0.000 0.444 263 G N 1.464 110.235 108.800 -0.048 0.000 2.433 263 G HA2 -0.116 3.844 3.960 0.000 0.000 0.216 263 G HA3 -0.116 3.844 3.960 0.000 0.000 0.216 263 G C 1.527 176.478 174.900 0.086 0.000 1.186 263 G CA 0.519 45.649 45.100 0.050 0.000 0.779 263 G HN 0.481 nan 8.290 nan 0.000 0.543 264 I N 1.473 122.055 120.570 0.020 0.000 2.226 264 I HA -0.148 4.022 4.170 0.000 0.000 0.245 264 I C 3.292 179.401 176.117 -0.013 0.000 1.100 264 I CA 0.917 62.215 61.300 -0.003 0.000 1.374 264 I CB -0.236 37.733 38.000 -0.052 0.000 1.057 264 I HN 0.244 nan 8.210 nan 0.000 0.413 265 A N 0.874 123.665 122.820 -0.048 0.000 1.902 265 A HA -0.202 4.118 4.320 0.000 0.000 0.217 265 A C 2.418 179.993 177.584 -0.014 0.000 1.181 265 A CA 1.487 53.496 52.037 -0.047 0.000 0.623 265 A CB -0.564 18.387 19.000 -0.082 0.000 0.818 265 A HN 0.305 nan 8.150 nan 0.000 0.443 266 R N -0.982 119.471 120.500 -0.078 0.000 2.115 266 R HA -0.114 4.226 4.340 0.000 0.000 0.230 266 R C 2.189 178.624 176.300 0.225 0.000 1.111 266 R CA 1.531 57.557 56.100 -0.123 0.000 0.976 266 R CB -0.116 29.793 30.300 -0.652 0.000 0.870 266 R HN 0.417 nan 8.270 nan 0.000 0.445 267 K N 0.522 121.067 120.400 0.241 0.000 2.167 267 K HA -0.047 4.273 4.320 0.000 0.000 0.203 267 K C 1.645 178.267 176.600 0.036 0.000 1.052 267 K CA 0.936 57.270 56.287 0.079 0.000 0.956 267 K CB -0.089 32.283 32.500 -0.214 0.000 0.735 267 K HN -0.032 nan 8.250 nan 0.000 0.451 268 L N 1.283 122.528 121.223 0.036 0.000 2.072 268 L HA 0.038 4.379 4.340 0.000 0.000 0.205 268 L C 1.851 178.754 176.870 0.055 0.000 1.079 268 L CA 1.682 56.534 54.840 0.021 0.000 0.752 268 L CB -0.520 41.538 42.059 -0.001 0.000 0.906 268 L HN 0.114 nan 8.230 nan 0.000 0.436 269 K N -0.472 119.986 120.400 0.098 0.000 2.280 269 K HA -0.166 4.154 4.320 0.000 0.000 0.202 269 K C 1.791 178.473 176.600 0.137 0.000 1.047 269 K CA 1.093 57.454 56.287 0.123 0.000 0.942 269 K CB 0.045 32.655 32.500 0.183 0.000 0.739 269 K HN 0.501 nan 8.250 nan 0.000 0.457 270 E N 0.314 120.614 120.200 0.167 0.000 2.060 270 E HA -0.079 4.271 4.350 0.000 0.000 0.189 270 E C 1.880 178.523 176.600 0.071 0.000 0.974 270 E CA 0.683 57.172 56.400 0.148 0.000 0.808 270 E CB 0.226 30.056 29.700 0.216 0.000 0.768 270 E HN 0.103 nan 8.360 nan 0.000 0.453 271 K N 0.284 120.709 120.400 0.043 0.000 2.099 271 K HA 0.051 4.371 4.320 0.000 0.000 0.203 271 K C 1.148 177.753 176.600 0.009 0.000 1.047 271 K CA 0.322 56.615 56.287 0.010 0.000 0.963 271 K CB -0.238 32.251 32.500 -0.019 0.000 0.759 271 K HN 0.085 nan 8.250 nan 0.000 0.451 272 C N 5.208 124.514 119.300 0.011 0.000 2.288 272 C HA 0.345 4.805 4.460 0.000 0.000 0.328 272 C C -1.251 173.750 174.990 0.017 0.000 1.071 272 C CA -2.243 56.779 59.018 0.007 0.000 1.594 272 C CB -0.030 27.707 27.740 -0.004 0.000 1.700 272 C HN 0.230 nan 8.230 nan 0.000 0.436 273 P HA -0.088 nan 4.420 nan 0.000 0.215 273 P C 1.469 178.780 177.300 0.019 0.000 1.157 273 P CA 2.124 65.239 63.100 0.026 0.000 0.874 273 P CB -0.054 31.658 31.700 0.021 0.000 0.790 274 G N -0.833 107.974 108.800 0.011 0.000 2.807 274 G HA2 -0.076 3.884 3.960 0.000 0.000 0.207 274 G HA3 -0.076 3.884 3.960 0.000 0.000 0.207 274 G C 0.350 175.252 174.900 0.004 0.000 1.151 274 G CA -0.209 44.896 45.100 0.007 0.000 0.800 274 G HN 0.303 nan 8.290 nan 0.000 0.523 275 C N 0.604 119.906 119.300 0.003 0.000 2.482 275 C HA 0.448 4.908 4.460 0.000 0.000 0.378 275 C C 0.931 175.917 174.990 -0.007 0.000 1.284 275 C CA -0.915 58.100 59.018 -0.006 0.000 1.826 275 C CB -0.212 27.523 27.740 -0.009 0.000 2.473 275 C HN 0.469 nan 8.230 nan 0.000 0.562 276 R N 3.753 124.244 120.500 -0.014 0.000 2.221 276 R HA 0.446 4.786 4.340 0.000 0.000 0.327 276 R C -0.445 175.831 176.300 -0.040 0.000 1.033 276 R CA -0.396 55.694 56.100 -0.017 0.000 0.887 276 R CB 0.240 30.535 30.300 -0.007 0.000 1.057 276 R HN 0.584 nan 8.270 nan 0.000 0.455 277 I N 6.305 126.843 120.570 -0.054 0.000 2.342 277 I HA 0.237 4.407 4.170 0.000 0.000 0.291 277 I C -0.011 176.022 176.117 -0.141 0.000 1.010 277 I CA -0.534 60.705 61.300 -0.101 0.000 1.308 277 I CB 1.070 39.005 38.000 -0.109 0.000 1.400 277 I HN 0.517 nan 8.210 nan 0.000 0.488 278 I N 5.362 125.833 120.570 -0.165 0.000 2.436 278 I HA 0.447 4.617 4.170 0.000 0.000 0.289 278 I C 0.576 176.519 176.117 -0.289 0.000 1.010 278 I CA -0.413 60.786 61.300 -0.169 0.000 1.098 278 I CB 1.530 39.472 38.000 -0.096 0.000 1.266 278 I HN 0.549 nan 8.210 nan 0.000 0.434 279 G N 5.308 113.818 108.800 -0.483 0.000 2.379 279 G HA2 0.564 4.524 3.960 0.000 0.000 0.327 279 G HA3 0.564 4.524 3.960 0.000 0.000 0.327 279 G C -0.933 173.874 174.900 -0.155 0.000 1.145 279 G CA -0.347 44.364 45.100 -0.648 0.000 0.905 279 G HN 0.313 nan 8.290 nan 0.000 0.466 280 V N 2.681 122.576 119.914 -0.032 0.000 2.347 280 V HA 0.323 4.443 4.120 0.000 0.000 0.280 280 V C -0.806 175.395 176.094 0.179 0.000 1.021 280 V CA -0.542 61.811 62.300 0.089 0.000 0.847 280 V CB 1.415 33.206 31.823 -0.054 0.000 0.990 280 V HN 0.785 nan 8.190 nan 0.000 0.444 281 D N 6.970 127.520 120.400 0.251 0.000 2.375 281 D HA 0.524 5.164 4.640 0.000 0.000 0.247 281 D C -2.677 173.620 176.300 -0.006 0.000 1.061 281 D CA -1.790 52.307 54.000 0.162 0.000 0.834 281 D CB 3.043 43.952 40.800 0.181 0.000 1.247 281 D HN 0.259 nan 8.370 nan 0.000 0.489 282 P HA 0.158 nan 4.420 nan 0.000 0.279 282 P C -0.672 176.517 177.300 -0.187 0.000 1.239 282 P CA -0.375 62.543 63.100 -0.304 0.000 0.789 282 P CB 0.829 32.081 31.700 -0.748 0.000 0.933 283 E N 1.085 121.223 120.200 -0.104 0.000 2.480 283 E HA 0.253 4.603 4.350 0.000 0.000 0.258 283 E C 1.096 177.781 176.600 0.140 0.000 0.984 283 E CA 0.862 57.269 56.400 0.012 0.000 0.930 283 E CB -0.325 29.392 29.700 0.028 0.000 0.936 283 E HN 0.833 nan 8.360 nan 0.000 0.466 284 G N 2.308 111.195 108.800 0.145 0.000 2.192 284 G HA2 -0.223 3.737 3.960 0.000 0.000 0.193 284 G HA3 -0.223 3.737 3.960 0.000 0.000 0.193 284 G C 0.182 175.214 174.900 0.220 0.000 0.999 284 G CA 0.057 45.284 45.100 0.213 0.000 0.659 284 G HN 0.534 nan 8.290 nan 0.000 0.503 285 S N -0.568 115.228 115.700 0.161 0.000 2.648 285 S HA 0.756 5.226 4.470 0.000 0.000 0.305 285 S C 1.226 175.827 174.600 0.001 0.000 1.094 285 S CA -0.209 58.061 58.200 0.116 0.000 0.983 285 S CB 1.220 64.497 63.200 0.129 0.000 1.101 285 S HN 1.044 nan 8.310 nan 0.000 0.514 286 I N 1.384 121.936 120.570 -0.029 0.000 4.082 286 I HA 0.317 4.488 4.170 0.000 0.000 0.337 286 I C 0.999 177.023 176.117 -0.156 0.000 1.352 286 I CA -0.014 61.231 61.300 -0.092 0.000 1.097 286 I CB -0.064 37.883 38.000 -0.088 0.000 1.048 286 I HN 0.470 nan 8.210 nan 0.000 0.393 287 L N 2.043 123.172 121.223 -0.158 0.000 2.017 287 L HA -0.002 4.338 4.340 0.000 0.000 0.208 287 L C 2.121 178.437 176.870 -0.923 0.000 1.073 287 L CA 1.013 55.662 54.840 -0.319 0.000 0.745 287 L CB -0.616 41.375 42.059 -0.113 0.000 0.894 287 L HN 0.450 nan 8.230 nan 0.000 0.432 288 A N 0.405 122.619 122.820 -1.010 0.000 2.455 288 A HA 0.163 4.483 4.320 0.000 0.000 0.244 288 A C 0.014 176.972 177.584 -1.044 0.000 1.099 288 A CA 0.329 51.460 52.037 -1.509 0.000 0.786 288 A CB 0.145 18.817 19.000 -0.547 0.000 1.051 288 A HN 0.378 nan 8.150 nan 0.000 0.508 289 E N -0.106 119.522 120.200 -0.953 0.000 2.321 289 E HA 0.393 4.743 4.350 0.000 0.000 0.278 289 E C -2.759 173.773 176.600 -0.114 0.000 0.902 289 E CA -1.763 54.419 56.400 -0.364 0.000 0.758 289 E CB 1.855 31.428 29.700 -0.210 0.000 1.213 289 E HN 0.455 nan 8.360 nan 0.000 0.426 290 P HA -0.047 nan 4.420 nan 0.000 0.272 290 P C 0.500 177.726 177.300 -0.124 0.000 1.254 290 P CA -0.055 62.994 63.100 -0.085 0.000 0.795 290 P CB 0.695 32.363 31.700 -0.053 0.000 1.022 291 E N 0.369 120.509 120.200 -0.100 0.000 2.204 291 E HA -0.188 4.162 4.350 0.000 0.000 0.194 291 E C 1.351 177.901 176.600 -0.083 0.000 0.989 291 E CA 1.476 57.815 56.400 -0.101 0.000 0.824 291 E CB -0.464 29.192 29.700 -0.073 0.000 0.756 291 E HN 0.344 nan 8.360 nan 0.000 0.477 292 E N 0.497 120.657 120.200 -0.067 0.000 2.033 292 E HA -0.184 4.166 4.350 0.000 0.000 0.199 292 E C 2.111 178.676 176.600 -0.059 0.000 1.011 292 E CA 1.405 57.772 56.400 -0.054 0.000 0.815 292 E CB -0.527 29.146 29.700 -0.045 0.000 0.755 292 E HN 0.245 nan 8.360 nan 0.000 0.451 293 L N 0.730 121.911 121.223 -0.071 0.000 2.256 293 L HA -0.330 4.010 4.340 0.000 0.000 0.218 293 L C 1.405 178.236 176.870 -0.065 0.000 1.089 293 L CA 1.561 56.358 54.840 -0.071 0.000 0.777 293 L CB -0.661 41.343 42.059 -0.092 0.000 0.890 293 L HN 0.285 nan 8.230 nan 0.000 0.439 294 N N -1.059 117.595 118.700 -0.077 0.000 2.398 294 N HA -0.020 4.720 4.740 0.000 0.000 0.188 294 N C 0.114 175.600 175.510 -0.040 0.000 1.122 294 N CA -0.199 52.812 53.050 -0.064 0.000 0.866 294 N CB 0.190 38.624 38.487 -0.089 0.000 0.970 294 N HN 0.417 nan 8.380 nan 0.000 0.462 295 Q N 1.334 121.112 119.800 -0.036 0.000 2.381 295 Q HA 0.162 4.502 4.340 0.000 0.000 0.243 295 Q C -0.738 175.255 176.000 -0.012 0.000 1.154 295 Q CA 0.409 56.197 55.803 -0.024 0.000 0.899 295 Q CB 0.630 29.353 28.738 -0.024 0.000 1.396 295 Q HN 0.056 nan 8.270 nan 0.000 0.485 296 T N 0.294 114.846 114.554 -0.003 0.000 2.916 296 T HA 0.085 4.435 4.350 0.000 0.000 0.292 296 T C 1.002 175.711 174.700 0.015 0.000 1.055 296 T CA -0.854 61.252 62.100 0.011 0.000 1.009 296 T CB 1.504 70.386 68.868 0.024 0.000 1.118 296 T HN 0.666 nan 8.240 nan 0.000 0.497 297 E N 1.652 121.865 120.200 0.021 0.000 2.063 297 E HA -0.249 4.101 4.350 0.000 0.000 0.221 297 E C 0.953 177.565 176.600 0.021 0.000 1.052 297 E CA 1.179 57.592 56.400 0.021 0.000 0.891 297 E CB -0.328 29.389 29.700 0.028 0.000 0.792 297 E HN 0.656 nan 8.360 nan 0.000 0.482 298 Q N 1.115 120.937 119.800 0.037 0.000 2.173 298 Q HA 0.167 4.507 4.340 0.000 0.000 0.186 298 Q C 0.324 176.345 176.000 0.034 0.000 1.018 298 Q CA 0.431 56.254 55.803 0.034 0.000 1.064 298 Q CB 0.968 29.737 28.738 0.051 0.000 1.130 298 Q HN 0.365 nan 8.270 nan 0.000 0.553 299 T N -3.026 111.536 114.554 0.014 0.000 3.672 299 T HA 0.387 4.737 4.350 0.000 0.000 0.296 299 T C -0.812 173.842 174.700 -0.075 0.000 0.979 299 T CA -0.412 61.682 62.100 -0.010 0.000 1.013 299 T CB -0.345 68.497 68.868 -0.043 0.000 1.184 299 T HN 0.543 nan 8.240 nan 0.000 0.477 300 T N 1.878 116.399 114.554 -0.054 0.000 3.041 300 T HA 0.645 4.995 4.350 0.000 0.000 0.321 300 T C -1.740 172.939 174.700 -0.036 0.000 1.184 300 T CA -0.834 61.162 62.100 -0.173 0.000 1.050 300 T CB 1.628 70.447 68.868 -0.082 0.000 1.159 300 T HN 0.448 nan 8.240 nan 0.000 0.469 301 Y N -0.659 119.713 120.300 0.119 0.000 2.625 301 Y HA 0.721 5.271 4.550 0.000 0.000 0.338 301 Y C 0.451 176.492 175.900 0.236 0.000 1.123 301 Y CA -1.427 56.772 58.100 0.164 0.000 1.046 301 Y CB 0.774 39.296 38.460 0.103 0.000 1.299 301 Y HN 0.377 nan 8.280 nan 0.000 0.464 302 E N 0.639 121.189 120.200 0.585 0.000 2.318 302 E HA 0.079 4.429 4.350 0.000 0.000 0.193 302 E C 0.354 177.340 176.600 0.643 0.000 0.998 302 E CA 0.559 57.360 56.400 0.668 0.000 0.859 302 E CB 0.312 30.617 29.700 1.009 0.000 0.812 302 E HN 0.527 nan 8.360 nan 0.000 0.492 303 V N 1.224 121.389 119.914 0.418 0.000 2.529 303 V HA 0.110 4.230 4.120 0.000 0.000 0.292 303 V C 0.267 176.549 176.094 0.314 0.000 1.028 303 V CA -0.407 62.000 62.300 0.179 0.000 1.074 303 V CB 0.205 31.898 31.823 -0.216 0.000 0.958 303 V HN -0.062 nan 8.190 nan 0.000 0.481 304 E N 3.335 123.726 120.200 0.318 0.000 2.277 304 E HA 0.602 4.952 4.350 0.000 0.000 0.274 304 E C 1.104 177.863 176.600 0.264 0.000 1.022 304 E CA -0.170 56.434 56.400 0.341 0.000 0.853 304 E CB 1.427 31.371 29.700 0.408 0.000 1.086 304 E HN 1.173 nan 8.360 nan 0.000 0.397 305 G N 1.772 110.727 108.800 0.258 0.000 2.217 305 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 305 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 305 G C 0.245 175.247 174.900 0.171 0.000 0.990 305 G CA 0.440 45.659 45.100 0.199 0.000 0.627 305 G HN 0.570 nan 8.290 nan 0.000 0.522 306 I N -2.619 118.058 120.570 0.177 0.000 2.846 306 I HA 0.841 5.011 4.170 0.000 0.000 0.307 306 I C 0.679 176.917 176.117 0.201 0.000 1.053 306 I CA -0.763 60.615 61.300 0.130 0.000 1.050 306 I CB 2.073 40.079 38.000 0.010 0.000 1.239 306 I HN 1.675 nan 8.210 nan 0.000 0.439 307 G N 1.545 110.469 108.800 0.206 0.000 2.781 307 G HA2 0.017 3.977 3.960 0.000 0.000 0.683 307 G HA3 0.017 3.977 3.960 0.000 0.000 0.683 307 G C -1.620 173.563 174.900 0.472 0.000 1.390 307 G CA -0.255 45.016 45.100 0.284 0.000 0.850 307 G HN 1.292 nan 8.290 nan 0.000 0.557 308 Y N -0.408 120.010 120.300 0.197 0.000 2.717 308 Y HA 0.419 4.969 4.550 0.000 0.000 0.345 308 Y C -0.001 175.918 175.900 0.032 0.000 1.187 308 Y CA -0.143 58.047 58.100 0.151 0.000 1.128 308 Y CB 1.021 39.599 38.460 0.198 0.000 1.360 308 Y HN 0.765 nan 8.280 nan 0.000 0.467 309 D N 1.008 121.182 120.400 -0.377 0.000 2.358 309 D HA 0.261 4.901 4.640 0.000 0.000 0.224 309 D C -0.704 175.135 176.300 -0.767 0.000 1.123 309 D CA 0.467 54.150 54.000 -0.528 0.000 0.833 309 D CB -0.001 40.393 40.800 -0.675 0.000 0.946 309 D HN 0.139 nan 8.370 nan 0.000 0.505 310 F N -0.120 119.808 119.950 -0.038 0.000 2.619 310 F HA 0.403 4.930 4.527 0.000 0.000 0.308 310 F C -0.295 175.677 175.800 0.286 0.000 1.097 310 F CA -1.448 56.614 58.000 0.103 0.000 0.953 310 F CB 1.847 40.893 39.000 0.077 0.000 1.287 310 F HN -0.295 nan 8.300 nan 0.000 0.446 311 I N 4.278 125.070 120.570 0.371 0.000 2.294 311 I HA 0.208 4.378 4.170 0.000 0.000 0.295 311 I C -2.300 173.968 176.117 0.250 0.000 1.098 311 I CA -1.718 59.736 61.300 0.257 0.000 1.277 311 I CB 0.349 38.441 38.000 0.154 0.000 1.434 311 I HN 0.140 nan 8.210 nan 0.000 0.498 312 P HA -0.077 nan 4.420 nan 0.000 0.266 312 P C 1.038 178.431 177.300 0.154 0.000 1.193 312 P CA 0.229 63.461 63.100 0.220 0.000 0.770 312 P CB 0.642 32.485 31.700 0.238 0.000 0.836 313 T N 0.036 114.666 114.554 0.127 0.000 2.951 313 T HA -0.077 4.273 4.350 0.000 0.000 0.268 313 T C 1.329 176.068 174.700 0.065 0.000 1.073 313 T CA 1.476 63.626 62.100 0.082 0.000 1.134 313 T CB -0.796 68.106 68.868 0.057 0.000 0.884 313 T HN 0.185 nan 8.240 nan 0.000 0.479 314 V N -0.170 119.783 119.914 0.064 0.000 3.141 314 V HA 0.345 4.465 4.120 0.000 0.000 0.265 314 V C 1.034 177.137 176.094 0.016 0.000 1.126 314 V CA 0.052 62.364 62.300 0.021 0.000 1.141 314 V CB -1.260 30.562 31.823 -0.001 0.000 0.743 314 V HN 0.450 nan 8.190 nan 0.000 0.492 315 L N 2.356 123.612 121.223 0.056 0.000 2.290 315 L HA 0.593 4.933 4.340 0.000 0.000 0.284 315 L C -0.492 176.423 176.870 0.074 0.000 1.078 315 L CA 0.083 54.966 54.840 0.071 0.000 0.815 315 L CB 0.825 42.962 42.059 0.130 0.000 1.162 315 L HN 0.239 nan 8.230 nan 0.000 0.435 316 D N 3.981 124.410 120.400 0.049 0.000 2.477 316 D HA 0.242 4.882 4.640 0.000 0.000 0.239 316 D C 0.833 177.198 176.300 0.107 0.000 1.102 316 D CA -0.306 53.729 54.000 0.058 0.000 0.901 316 D CB 0.623 41.412 40.800 -0.018 0.000 1.026 316 D HN 0.618 nan 8.370 nan 0.000 0.515 317 R N 0.983 121.590 120.500 0.178 0.000 2.293 317 R HA -0.043 4.297 4.340 0.000 0.000 0.219 317 R C 1.628 178.062 176.300 0.223 0.000 1.091 317 R CA 0.845 57.115 56.100 0.285 0.000 1.004 317 R CB 0.069 30.556 30.300 0.313 0.000 0.865 317 R HN 0.285 nan 8.270 nan 0.000 0.469 318 T N 0.265 114.916 114.554 0.161 0.000 2.867 318 T HA -0.072 4.278 4.350 0.000 0.000 0.268 318 T C 1.705 176.487 174.700 0.137 0.000 1.057 318 T CA 1.452 63.643 62.100 0.153 0.000 1.136 318 T CB 0.072 69.043 68.868 0.171 0.000 0.874 318 T HN 0.260 nan 8.240 nan 0.000 0.466 319 V N -0.890 119.085 119.914 0.102 0.000 3.649 319 V HA 0.324 4.444 4.120 0.000 0.000 0.275 319 V C 0.680 176.771 176.094 -0.005 0.000 1.281 319 V CA -0.271 62.069 62.300 0.066 0.000 1.143 319 V CB -0.568 31.267 31.823 0.019 0.000 0.892 319 V HN 0.077 nan 8.190 nan 0.000 0.441 320 V N 2.477 122.376 119.914 -0.026 0.000 2.389 320 V HA 0.264 4.384 4.120 0.000 0.000 0.264 320 V C 1.036 177.074 176.094 -0.094 0.000 1.049 320 V CA -0.066 62.127 62.300 -0.178 0.000 0.932 320 V CB 0.827 32.388 31.823 -0.437 0.000 1.011 320 V HN 0.391 nan 8.190 nan 0.000 0.475 321 D N 3.354 123.699 120.400 -0.090 0.000 2.224 321 D HA -0.007 4.633 4.640 0.000 0.000 0.205 321 D C 0.806 177.103 176.300 -0.004 0.000 0.965 321 D CA 1.162 55.148 54.000 -0.022 0.000 0.852 321 D CB 0.517 41.309 40.800 -0.012 0.000 0.947 321 D HN 0.579 nan 8.370 nan 0.000 0.494 322 K N -0.742 119.619 120.400 -0.066 0.000 2.610 322 K HA 0.206 4.526 4.320 0.000 0.000 0.267 322 K C -2.029 174.552 176.600 -0.033 0.000 0.943 322 K CA -0.632 55.664 56.287 0.014 0.000 0.862 322 K CB 1.039 33.563 32.500 0.040 0.000 1.376 322 K HN -0.226 nan 8.250 nan 0.000 0.412 323 W N 2.656 123.929 121.300 -0.045 0.000 2.647 323 W HA 0.651 5.311 4.660 0.000 0.000 0.353 323 W C -0.701 175.736 176.519 -0.136 0.000 1.080 323 W CA -0.402 56.944 57.345 0.002 0.000 1.208 323 W CB 1.059 30.505 29.460 -0.023 0.000 1.396 323 W HN 0.289 nan 8.180 nan 0.000 0.573 324 F N 1.644 121.721 119.950 0.211 0.000 2.591 324 F HA 0.403 4.930 4.527 0.000 0.000 0.309 324 F C 0.072 175.913 175.800 0.068 0.000 1.098 324 F CA -1.383 56.664 58.000 0.078 0.000 0.937 324 F CB 1.577 40.569 39.000 -0.013 0.000 1.250 324 F HN -0.105 nan 8.300 nan 0.000 0.447 325 K N 1.410 121.916 120.400 0.177 0.000 2.098 325 K HA 0.756 5.076 4.320 0.000 0.000 0.258 325 K C -0.353 176.267 176.600 0.034 0.000 0.973 325 K CA -0.442 55.891 56.287 0.077 0.000 0.898 325 K CB 1.900 34.415 32.500 0.024 0.000 1.057 325 K HN 0.759 nan 8.250 nan 0.000 0.447 326 S N -0.012 115.661 115.700 -0.046 0.000 2.697 326 S HA 0.634 5.104 4.470 0.000 0.000 0.289 326 S C -0.755 173.768 174.600 -0.128 0.000 1.149 326 S CA -0.937 57.200 58.200 -0.106 0.000 0.850 326 S CB 1.452 64.545 63.200 -0.178 0.000 1.151 326 S HN 0.675 nan 8.310 nan 0.000 0.491 327 N N -0.683 117.933 118.700 -0.139 0.000 2.469 327 N HA 0.496 5.236 4.740 0.000 0.000 0.286 327 N C -0.444 174.936 175.510 -0.217 0.000 1.275 327 N CA -0.846 52.137 53.050 -0.112 0.000 0.790 327 N CB 0.405 38.885 38.487 -0.013 0.000 1.446 327 N HN 0.355 nan 8.380 nan 0.000 0.501 328 D N 0.026 120.317 120.400 -0.181 0.000 2.092 328 D HA -0.214 4.426 4.640 0.000 0.000 0.193 328 D C 1.281 177.216 176.300 -0.608 0.000 0.994 328 D CA 1.552 55.270 54.000 -0.471 0.000 0.828 328 D CB -0.170 40.574 40.800 -0.095 0.000 0.963 328 D HN 0.844 nan 8.370 nan 0.000 0.450 329 E N 0.541 120.615 120.200 -0.210 0.000 2.070 329 E HA -0.248 4.102 4.350 0.000 0.000 0.197 329 E C 1.980 178.557 176.600 -0.038 0.000 1.004 329 E CA 1.415 57.791 56.400 -0.039 0.000 0.805 329 E CB 0.000 29.842 29.700 0.236 0.000 0.744 329 E HN 0.296 nan 8.360 nan 0.000 0.451 330 E N -0.347 119.826 120.200 -0.044 0.000 2.051 330 E HA -0.245 4.105 4.350 0.000 0.000 0.192 330 E C 1.944 178.521 176.600 -0.038 0.000 0.991 330 E CA 1.070 57.482 56.400 0.019 0.000 0.799 330 E CB -0.202 29.462 29.700 -0.060 0.000 0.748 330 E HN 0.368 nan 8.360 nan 0.000 0.449 331 A N 0.597 123.237 122.820 -0.299 0.000 1.851 331 A HA -0.196 4.124 4.320 0.000 0.000 0.216 331 A C 2.022 179.363 177.584 -0.404 0.000 1.195 331 A CA 1.698 53.462 52.037 -0.455 0.000 0.622 331 A CB -1.207 17.337 19.000 -0.761 0.000 0.831 331 A HN 0.413 nan 8.150 nan 0.000 0.444 332 F N 0.812 120.570 119.950 -0.320 0.000 2.216 332 F HA -0.173 4.354 4.527 0.000 0.000 0.300 332 F C 2.924 178.610 175.800 -0.189 0.000 1.085 332 F CA 1.309 59.077 58.000 -0.387 0.000 1.326 332 F CB -0.531 38.294 39.000 -0.290 0.000 1.027 332 F HN 0.404 nan 8.300 nan 0.000 0.497 333 T N -2.172 112.440 114.554 0.097 0.000 2.857 333 T HA -0.180 4.170 4.350 0.000 0.000 0.266 333 T C 1.645 176.331 174.700 -0.023 0.000 1.048 333 T CA 0.985 63.126 62.100 0.069 0.000 1.139 333 T CB -0.858 68.058 68.868 0.080 0.000 0.874 333 T HN 0.127 nan 8.240 nan 0.000 0.455 334 F N 1.960 121.854 119.950 -0.093 0.000 2.293 334 F HA 0.396 4.923 4.527 0.000 0.000 0.297 334 F C 2.849 178.569 175.800 -0.133 0.000 1.089 334 F CA 0.328 58.264 58.000 -0.107 0.000 1.377 334 F CB -0.676 38.225 39.000 -0.165 0.000 1.051 334 F HN 0.244 nan 8.300 nan 0.000 0.511 335 A N 0.141 122.919 122.820 -0.070 0.000 1.902 335 A HA -0.193 4.127 4.320 0.000 0.000 0.217 335 A C 2.259 179.823 177.584 -0.033 0.000 1.181 335 A CA 1.569 53.480 52.037 -0.210 0.000 0.623 335 A CB -0.617 17.927 19.000 -0.761 0.000 0.818 335 A HN 0.281 nan 8.150 nan 0.000 0.443 336 R N -1.586 118.932 120.500 0.030 0.000 2.115 336 R HA 0.006 4.346 4.340 0.000 0.000 0.230 336 R C 2.202 178.525 176.300 0.038 0.000 1.111 336 R CA 1.489 57.659 56.100 0.117 0.000 0.976 336 R CB -0.281 30.101 30.300 0.137 0.000 0.870 336 R HN 0.643 nan 8.270 nan 0.000 0.445 337 M N 0.110 119.694 119.600 -0.026 0.000 2.254 337 M HA -0.089 4.391 4.480 0.000 0.000 0.265 337 M C 1.621 177.915 176.300 -0.011 0.000 1.066 337 M CA 1.401 56.665 55.300 -0.059 0.000 1.123 337 M CB 0.220 32.702 32.600 -0.197 0.000 1.388 337 M HN 0.141 nan 8.290 nan 0.000 0.425 338 L N -0.362 120.865 121.223 0.008 0.000 2.156 338 L HA -0.161 4.179 4.340 0.000 0.000 0.208 338 L C 2.115 178.999 176.870 0.023 0.000 1.095 338 L CA 0.936 55.791 54.840 0.025 0.000 0.770 338 L CB -0.382 41.688 42.059 0.018 0.000 0.914 338 L HN 0.332 nan 8.230 nan 0.000 0.439 339 I N -0.538 120.047 120.570 0.025 0.000 2.333 339 I HA -0.192 3.978 4.170 0.000 0.000 0.246 339 I C 2.692 178.824 176.117 0.025 0.000 1.106 339 I CA 1.060 62.374 61.300 0.023 0.000 1.411 339 I CB -0.368 37.659 38.000 0.046 0.000 1.082 339 I HN 0.152 nan 8.210 nan 0.000 0.420 340 A N -0.084 122.751 122.820 0.025 0.000 1.930 340 A HA -0.144 4.176 4.320 0.000 0.000 0.215 340 A C 2.205 179.800 177.584 0.019 0.000 1.176 340 A CA 1.248 53.297 52.037 0.020 0.000 0.632 340 A CB -0.272 18.737 19.000 0.015 0.000 0.819 340 A HN 0.443 nan 8.150 nan 0.000 0.445 341 Q N -1.466 118.345 119.800 0.019 0.000 2.394 341 Q HA 0.048 4.388 4.340 0.000 0.000 0.218 341 Q C 1.005 177.027 176.000 0.037 0.000 0.907 341 Q CA 0.647 56.464 55.803 0.024 0.000 0.919 341 Q CB 0.371 29.122 28.738 0.020 0.000 1.051 341 Q HN 0.528 nan 8.270 nan 0.000 0.538 342 E N -0.676 119.551 120.200 0.045 0.000 2.489 342 E HA 0.121 4.471 4.350 0.000 0.000 0.204 342 E C 0.697 177.341 176.600 0.073 0.000 1.006 342 E CA 0.560 56.997 56.400 0.062 0.000 0.936 342 E CB 1.233 30.978 29.700 0.074 0.000 1.002 342 E HN 0.388 nan 8.360 nan 0.000 0.488 343 G N 2.182 111.016 108.800 0.058 0.000 2.198 343 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 343 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 343 G C 0.075 175.023 174.900 0.079 0.000 1.025 343 G CA 0.349 45.486 45.100 0.061 0.000 0.769 343 G HN 0.192 nan 8.290 nan 0.000 0.507 344 L N 0.237 121.495 121.223 0.059 0.000 2.262 344 L HA 0.453 4.793 4.340 0.000 0.000 0.288 344 L C 1.078 177.818 176.870 -0.218 0.000 1.035 344 L CA -0.787 54.072 54.840 0.032 0.000 0.820 344 L CB 1.248 43.381 42.059 0.124 0.000 1.204 344 L HN 0.037 nan 8.230 nan 0.000 0.424 345 L N 4.250 125.267 121.223 -0.344 0.000 2.533 345 L HA 0.124 4.464 4.340 0.000 0.000 0.239 345 L C 0.622 177.084 176.870 -0.680 0.000 1.376 345 L CA -0.470 54.150 54.840 -0.367 0.000 1.240 345 L CB -0.800 41.128 42.059 -0.219 0.000 1.487 345 L HN 0.750 nan 8.230 nan 0.000 0.419 346 C N -1.639 117.269 119.300 -0.652 0.000 2.365 346 C HA 0.911 5.371 4.460 0.000 0.000 0.374 346 C C 1.141 176.089 174.990 -0.069 0.000 1.318 346 C CA -0.554 58.123 59.018 -0.568 0.000 2.239 346 C CB 0.513 27.997 27.740 -0.427 0.000 2.144 346 C HN 0.539 nan 8.230 nan 0.000 0.581 347 G N -0.477 108.337 108.800 0.023 0.000 2.642 347 G HA2 0.496 4.456 3.960 0.000 0.000 0.291 347 G HA3 0.496 4.456 3.960 0.000 0.000 0.291 347 G C 0.907 175.591 174.900 -0.359 0.000 1.345 347 G CA -0.038 45.101 45.100 0.065 0.000 1.043 347 G HN 1.328 nan 8.290 nan 0.000 0.528 348 G N -0.629 107.746 108.800 -0.708 0.000 2.418 348 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 348 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 348 G C 2.043 176.694 174.900 -0.415 0.000 1.158 348 G CA 1.777 46.485 45.100 -0.654 0.000 0.771 348 G HN 0.684 nan 8.290 nan 0.000 0.545 349 S N 0.796 116.352 115.700 -0.239 0.000 2.370 349 S HA -0.062 4.408 4.470 0.000 0.000 0.226 349 S C 2.747 177.249 174.600 -0.164 0.000 1.033 349 S CA 1.751 59.857 58.200 -0.156 0.000 1.011 349 S CB -0.509 62.669 63.200 -0.037 0.000 0.852 349 S HN 0.594 nan 8.310 nan 0.000 0.457 350 A N 0.813 123.553 122.820 -0.134 0.000 1.908 350 A HA 0.045 4.365 4.320 0.000 0.000 0.218 350 A C 2.356 179.852 177.584 -0.147 0.000 1.181 350 A CA 1.979 53.956 52.037 -0.100 0.000 0.627 350 A CB -1.694 17.273 19.000 -0.056 0.000 0.818 350 A HN 0.644 nan 8.150 nan 0.000 0.445 351 G N -0.771 107.900 108.800 -0.215 0.000 2.421 351 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 351 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 351 G C 1.832 176.573 174.900 -0.265 0.000 1.171 351 G CA 1.313 46.303 45.100 -0.184 0.000 0.775 351 G HN 0.491 nan 8.290 nan 0.000 0.543 352 S N 0.470 115.982 115.700 -0.313 0.000 2.365 352 S HA -0.162 4.308 4.470 0.000 0.000 0.225 352 S C 2.552 176.959 174.600 -0.321 0.000 1.039 352 S CA 1.913 59.916 58.200 -0.328 0.000 1.033 352 S CB -0.597 62.432 63.200 -0.285 0.000 0.887 352 S HN 0.505 nan 8.310 nan 0.000 0.447 353 T N 1.657 116.060 114.554 -0.253 0.000 2.821 353 T HA -0.021 4.329 4.350 0.000 0.000 0.267 353 T C 1.880 176.410 174.700 -0.284 0.000 1.046 353 T CA 1.139 63.100 62.100 -0.232 0.000 1.139 353 T CB -0.315 68.459 68.868 -0.156 0.000 0.871 353 T HN 0.228 nan 8.240 nan 0.000 0.454 354 V N 1.451 121.194 119.914 -0.285 0.000 2.535 354 V HA 0.022 4.142 4.120 0.000 0.000 0.246 354 V C 2.899 178.619 176.094 -0.624 0.000 1.045 354 V CA 1.138 63.261 62.300 -0.295 0.000 1.058 354 V CB -1.134 30.639 31.823 -0.084 0.000 0.689 354 V HN 0.497 nan 8.190 nan 0.000 0.461 355 A N 0.197 122.402 122.820 -1.024 0.000 1.908 355 A HA -0.181 4.139 4.320 0.000 0.000 0.218 355 A C 2.375 179.423 177.584 -0.894 0.000 1.181 355 A CA 2.310 53.345 52.037 -1.671 0.000 0.627 355 A CB -0.655 17.525 19.000 -1.366 0.000 0.818 355 A HN 0.346 nan 8.150 nan 0.000 0.445 356 V N -0.437 119.099 119.914 -0.630 0.000 2.453 356 V HA -0.155 3.965 4.120 0.000 0.000 0.247 356 V C 3.025 178.742 176.094 -0.629 0.000 1.048 356 V CA 1.636 63.578 62.300 -0.596 0.000 1.049 356 V CB -1.156 30.359 31.823 -0.514 0.000 0.672 356 V HN 0.618 nan 8.190 nan 0.000 0.457 357 A N 0.917 123.443 122.820 -0.491 0.000 1.908 357 A HA -0.182 4.138 4.320 0.000 0.000 0.218 357 A C 2.330 179.717 177.584 -0.328 0.000 1.181 357 A CA 2.228 54.041 52.037 -0.374 0.000 0.627 357 A CB -0.852 17.987 19.000 -0.268 0.000 0.818 357 A HN 0.701 nan 8.150 nan 0.000 0.445 358 V N -2.628 117.061 119.914 -0.375 0.000 3.026 358 V HA -0.148 3.972 4.120 0.000 0.000 0.265 358 V C 1.683 177.644 176.094 -0.221 0.000 1.121 358 V CA 2.224 64.339 62.300 -0.308 0.000 1.142 358 V CB -0.753 30.720 31.823 -0.584 0.000 0.730 358 V HN 0.550 nan 8.190 nan 0.000 0.503 359 K N 0.997 121.220 120.400 -0.295 0.000 2.161 359 K HA 0.418 4.738 4.320 0.000 0.000 0.205 359 K C 2.463 178.944 176.600 -0.199 0.000 1.035 359 K CA 0.994 57.160 56.287 -0.201 0.000 0.970 359 K CB -0.388 31.973 32.500 -0.232 0.000 0.866 359 K HN 0.404 nan 8.250 nan 0.000 0.461 360 A N 1.714 124.275 122.820 -0.431 0.000 1.940 360 A HA -0.098 4.222 4.320 0.000 0.000 0.219 360 A C 2.213 179.722 177.584 -0.124 0.000 1.176 360 A CA 1.933 53.784 52.037 -0.309 0.000 0.631 360 A CB -0.638 18.032 19.000 -0.550 0.000 0.814 360 A HN 0.335 nan 8.150 nan 0.000 0.446 361 A N -1.326 121.408 122.820 -0.142 0.000 2.238 361 A HA 0.067 4.387 4.320 0.000 0.000 0.208 361 A C 1.829 179.393 177.584 -0.035 0.000 1.177 361 A CA 0.672 52.663 52.037 -0.078 0.000 0.804 361 A CB -0.299 18.649 19.000 -0.086 0.000 0.823 361 A HN 0.476 nan 8.150 nan 0.000 0.482 362 Q N 0.832 120.619 119.800 -0.023 0.000 2.061 362 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 362 Q C 1.913 177.922 176.000 0.016 0.000 0.984 362 Q CA 2.042 57.851 55.803 0.010 0.000 0.846 362 Q CB -0.497 28.258 28.738 0.027 0.000 0.902 362 Q HN 1.000 nan 8.270 nan 0.000 0.421 363 E N 0.076 120.287 120.200 0.019 0.000 2.219 363 E HA -0.166 4.184 4.350 0.000 0.000 0.198 363 E C 0.057 176.664 176.600 0.013 0.000 0.998 363 E CA 0.305 56.718 56.400 0.021 0.000 0.818 363 E CB -0.252 29.464 29.700 0.027 0.000 0.741 363 E HN 0.045 nan 8.360 nan 0.000 0.477 364 L N 2.657 123.883 121.223 0.005 0.000 2.453 364 L HA 0.025 4.365 4.340 0.000 0.000 0.272 364 L C 0.483 177.356 176.870 0.006 0.000 1.182 364 L CA 0.565 55.406 54.840 0.001 0.000 0.858 364 L CB 0.869 42.924 42.059 -0.008 0.000 1.120 364 L HN 0.264 nan 8.230 nan 0.000 0.474 365 Q N 3.168 122.971 119.800 0.006 0.000 2.240 365 Q HA 0.453 4.793 4.340 0.000 0.000 0.260 365 Q C -0.767 175.236 176.000 0.006 0.000 1.018 365 Q CA -0.963 54.844 55.803 0.008 0.000 0.898 365 Q CB 1.293 30.035 28.738 0.008 0.000 1.301 365 Q HN 0.642 nan 8.270 nan 0.000 0.469 366 E N -0.353 119.851 120.200 0.007 0.000 2.467 366 E HA 0.199 4.549 4.350 0.000 0.000 0.264 366 E C 0.397 176.999 176.600 0.003 0.000 1.020 366 E CA 0.463 56.866 56.400 0.006 0.000 0.945 366 E CB 0.011 29.715 29.700 0.007 0.000 0.942 366 E HN 0.998 nan 8.360 nan 0.000 0.449 367 G N 2.075 110.875 108.800 0.002 0.000 2.258 367 G HA2 -0.286 3.674 3.960 0.000 0.000 0.233 367 G HA3 -0.286 3.674 3.960 0.000 0.000 0.233 367 G C 0.176 175.075 174.900 -0.002 0.000 1.006 367 G CA 0.165 45.265 45.100 -0.000 0.000 0.620 367 G HN 0.543 nan 8.290 nan 0.000 0.511 368 Q N -0.227 119.571 119.800 -0.002 0.000 2.212 368 Q HA 0.718 5.058 4.340 0.000 0.000 0.238 368 Q C 0.052 176.047 176.000 -0.008 0.000 0.955 368 Q CA -0.543 55.257 55.803 -0.006 0.000 0.906 368 Q CB 1.327 30.062 28.738 -0.005 0.000 1.215 368 Q HN 0.310 nan 8.270 nan 0.000 0.478 369 R N 0.157 120.649 120.500 -0.013 0.000 2.561 369 R HA 0.459 4.799 4.340 0.000 0.000 0.297 369 R C -1.848 174.437 176.300 -0.024 0.000 0.969 369 R CA -0.335 55.755 56.100 -0.016 0.000 0.879 369 R CB 1.445 31.735 30.300 -0.016 0.000 1.178 369 R HN 0.705 nan 8.270 nan 0.000 0.445 370 C N 5.326 124.609 119.300 -0.029 0.000 2.340 370 C HA 0.654 5.114 4.460 0.000 0.000 0.323 370 C C -0.833 174.131 174.990 -0.044 0.000 1.260 370 C CA -0.411 58.582 59.018 -0.042 0.000 1.464 370 C CB 0.567 28.276 27.740 -0.052 0.000 2.156 370 C HN 0.607 nan 8.230 nan 0.000 0.476 371 V N 6.868 126.753 119.914 -0.049 0.000 2.394 371 V HA 0.540 4.660 4.120 0.000 0.000 0.282 371 V C 0.146 176.203 176.094 -0.061 0.000 1.031 371 V CA -0.277 61.995 62.300 -0.047 0.000 0.881 371 V CB 1.441 33.238 31.823 -0.043 0.000 0.982 371 V HN 0.748 nan 8.190 nan 0.000 0.451 372 V N 6.604 126.485 119.914 -0.053 0.000 2.715 372 V HA 0.579 4.699 4.120 0.000 0.000 0.310 372 V C -0.393 175.676 176.094 -0.040 0.000 1.054 372 V CA -0.592 61.669 62.300 -0.065 0.000 0.928 372 V CB 2.121 33.902 31.823 -0.071 0.000 1.007 372 V HN 0.747 nan 8.190 nan 0.000 0.437 373 I N 6.373 126.913 120.570 -0.050 0.000 2.339 373 I HA 0.392 4.562 4.170 0.000 0.000 0.290 373 I C -0.678 175.443 176.117 0.007 0.000 0.994 373 I CA -0.411 60.873 61.300 -0.026 0.000 1.191 373 I CB 1.402 39.365 38.000 -0.061 0.000 1.343 373 I HN 0.328 nan 8.210 nan 0.000 0.458 374 L N 8.470 129.738 121.223 0.075 0.000 2.277 374 L HA 0.336 4.676 4.340 0.000 0.000 0.284 374 L C -1.886 175.099 176.870 0.191 0.000 1.028 374 L CA -1.531 53.398 54.840 0.150 0.000 0.835 374 L CB 1.148 43.385 42.059 0.297 0.000 1.215 374 L HN 0.320 nan 8.230 nan 0.000 0.425 375 P HA -0.129 nan 4.420 nan 0.000 0.215 375 P C -0.389 177.026 177.300 0.192 0.000 1.157 375 P CA 1.275 64.454 63.100 0.131 0.000 0.863 375 P CB 0.198 31.948 31.700 0.083 0.000 0.787 376 D N -3.059 117.479 120.400 0.230 0.000 2.664 376 D HA 0.251 4.891 4.640 0.000 0.000 0.292 376 D C -0.647 175.773 176.300 0.200 0.000 1.214 376 D CA -0.768 53.379 54.000 0.244 0.000 0.932 376 D CB 0.322 41.246 40.800 0.207 0.000 1.420 376 D HN -0.044 nan 8.370 nan 0.000 0.471 377 S N -1.097 114.689 115.700 0.145 0.000 2.681 377 S HA 0.373 4.843 4.470 0.000 0.000 0.270 377 S C 1.521 176.188 174.600 0.110 0.000 1.209 377 S CA -0.093 58.100 58.200 -0.011 0.000 0.988 377 S CB 0.951 64.141 63.200 -0.016 0.000 1.006 377 S HN 0.954 nan 8.310 nan 0.000 0.558 378 V N -0.797 119.138 119.914 0.035 0.000 2.970 378 V HA 0.022 4.142 4.120 0.000 0.000 0.260 378 V C 2.509 178.606 176.094 0.006 0.000 1.100 378 V CA 1.392 63.767 62.300 0.125 0.000 1.122 378 V CB -1.363 30.430 31.823 -0.051 0.000 0.721 378 V HN 0.946 nan 8.190 nan 0.000 0.483 379 R N 1.219 121.681 120.500 -0.063 0.000 2.113 379 R HA -0.244 4.096 4.340 0.000 0.000 0.244 379 R C 1.863 178.030 176.300 -0.221 0.000 1.142 379 R CA 2.389 58.416 56.100 -0.122 0.000 0.953 379 R CB -0.359 29.885 30.300 -0.093 0.000 0.860 379 R HN 0.566 nan 8.270 nan 0.000 0.438 380 N N -0.599 117.866 118.700 -0.392 0.000 2.571 380 N HA -0.087 4.653 4.740 0.000 0.000 0.189 380 N C -0.327 174.694 175.510 -0.816 0.000 1.154 380 N CA 0.780 53.444 53.050 -0.643 0.000 0.907 380 N CB 0.231 38.213 38.487 -0.842 0.000 0.977 380 N HN 0.384 nan 8.380 nan 0.000 0.449 381 Y N -1.383 118.818 120.300 -0.166 0.000 2.719 381 Y HA 0.291 4.841 4.550 0.000 0.000 0.251 381 Y C 1.302 176.922 175.900 -0.466 0.000 1.159 381 Y CA -0.501 57.407 58.100 -0.319 0.000 1.166 381 Y CB 0.138 38.419 38.460 -0.297 0.000 1.219 381 Y HN -0.124 nan 8.280 nan 0.000 0.551 382 M N 0.079 119.534 119.600 -0.242 0.000 2.106 382 M HA -0.161 4.319 4.480 0.000 0.000 0.259 382 M C 1.848 178.001 176.300 -0.246 0.000 1.068 382 M CA 2.126 57.286 55.300 -0.234 0.000 1.100 382 M CB -1.503 31.001 32.600 -0.161 0.000 1.351 382 M HN 0.423 nan 8.290 nan 0.000 0.404 383 T N -3.069 111.345 114.554 -0.233 0.000 3.206 383 T HA 0.230 4.580 4.350 0.000 0.000 0.253 383 T C 0.981 175.448 174.700 -0.389 0.000 1.042 383 T CA -0.184 61.792 62.100 -0.206 0.000 0.931 383 T CB 0.589 69.393 68.868 -0.107 0.000 1.029 383 T HN 0.269 nan 8.240 nan 0.000 0.564 384 K N 0.335 120.344 120.400 -0.652 0.000 4.055 384 K HA 0.394 4.715 4.320 0.000 0.000 0.274 384 K C 1.160 177.082 176.600 -1.131 0.000 0.996 384 K CA -0.166 55.245 56.287 -1.460 0.000 1.764 384 K CB -0.312 31.400 32.500 -1.313 0.000 3.206 384 K HN 0.159 nan 8.250 nan 0.000 0.889 385 F N 1.337 120.578 119.950 -1.182 0.000 2.373 385 F HA -0.070 4.457 4.527 0.000 0.000 0.300 385 F C 1.373 177.030 175.800 -0.238 0.000 1.080 385 F CA 0.894 58.504 58.000 -0.649 0.000 1.417 385 F CB -0.209 38.272 39.000 -0.865 0.000 1.070 385 F HN 0.072 nan 8.300 nan 0.000 0.546 386 L N 0.329 120.996 121.223 -0.926 0.000 2.599 386 L HA 0.229 4.569 4.340 0.000 0.000 0.230 386 L C 0.221 176.939 176.870 -0.254 0.000 1.141 386 L CA 0.603 55.066 54.840 -0.628 0.000 0.877 386 L CB -0.723 40.911 42.059 -0.709 0.000 1.009 386 L HN 0.353 nan 8.230 nan 0.000 0.447 387 S N -0.668 114.938 115.700 -0.157 0.000 2.519 387 S HA 0.240 4.710 4.470 0.000 0.000 0.309 387 S C 0.539 175.204 174.600 0.108 0.000 1.100 387 S CA -0.697 57.493 58.200 -0.016 0.000 1.059 387 S CB 1.299 64.496 63.200 -0.005 0.000 1.008 387 S HN 0.182 nan 8.310 nan 0.000 0.478 388 D N 3.685 124.136 120.400 0.086 0.000 2.144 388 D HA -0.069 4.571 4.640 0.000 0.000 0.199 388 D C 1.919 178.294 176.300 0.124 0.000 0.984 388 D CA 1.277 55.342 54.000 0.109 0.000 0.834 388 D CB 0.000 40.842 40.800 0.069 0.000 0.955 388 D HN 0.553 nan 8.370 nan 0.000 0.465 389 R N -0.585 119.981 120.500 0.109 0.000 2.096 389 R HA -0.183 4.157 4.340 0.000 0.000 0.240 389 R C 2.172 178.556 176.300 0.140 0.000 1.139 389 R CA 1.584 57.744 56.100 0.099 0.000 0.952 389 R CB -0.515 29.838 30.300 0.090 0.000 0.854 389 R HN 0.307 nan 8.270 nan 0.000 0.436 390 W N 0.864 122.166 121.300 0.002 0.000 2.354 390 W HA -0.180 4.480 4.660 0.000 0.000 0.315 390 W C 2.050 178.599 176.519 0.050 0.000 1.206 390 W CA 1.260 58.613 57.345 0.014 0.000 1.290 390 W CB -0.068 29.389 29.460 -0.004 0.000 1.152 390 W HN -0.048 nan 8.180 nan 0.000 0.489 391 M N 0.183 120.035 119.600 0.420 0.000 2.106 391 M HA -0.239 4.241 4.480 0.000 0.000 0.259 391 M C 2.058 178.417 176.300 0.097 0.000 1.068 391 M CA 1.683 57.188 55.300 0.342 0.000 1.100 391 M CB -1.763 31.039 32.600 0.337 0.000 1.351 391 M HN 0.198 nan 8.290 nan 0.000 0.404 392 L N -0.491 120.762 121.223 0.051 0.000 1.988 392 L HA -0.243 4.097 4.340 0.000 0.000 0.207 392 L C 2.689 179.492 176.870 -0.112 0.000 1.071 392 L CA 1.552 56.383 54.840 -0.014 0.000 0.744 392 L CB -0.891 41.172 42.059 0.008 0.000 0.893 392 L HN 0.373 nan 8.230 nan 0.000 0.433 393 Q N 0.356 120.076 119.800 -0.134 0.000 2.152 393 Q HA -0.241 4.099 4.340 0.000 0.000 0.206 393 Q C 1.733 177.530 176.000 -0.338 0.000 0.985 393 Q CA 1.636 57.321 55.803 -0.198 0.000 0.863 393 Q CB 0.100 28.733 28.738 -0.174 0.000 0.904 393 Q HN 0.256 nan 8.270 nan 0.000 0.422 394 K N -0.507 119.573 120.400 -0.534 0.000 2.459 394 K HA 0.071 4.391 4.320 0.000 0.000 0.193 394 K C 0.937 177.028 176.600 -0.850 0.000 1.030 394 K CA 0.812 56.617 56.287 -0.803 0.000 1.026 394 K CB 0.108 31.866 32.500 -1.237 0.000 0.809 394 K HN 0.475 nan 8.250 nan 0.000 0.504 395 G N 1.357 109.861 108.800 -0.494 0.000 2.225 395 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 395 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 395 G C 0.473 175.209 174.900 -0.275 0.000 1.060 395 G CA 0.169 45.069 45.100 -0.333 0.000 0.833 395 G HN 0.388 nan 8.290 nan 0.000 0.498 396 F N -1.586 118.368 119.950 0.006 0.000 2.622 396 F HA 0.485 5.012 4.527 0.000 0.000 0.288 396 F C 1.488 177.342 175.800 0.091 0.000 1.120 396 F CA -0.215 57.838 58.000 0.090 0.000 1.423 396 F CB 0.381 39.491 39.000 0.182 0.000 1.127 396 F HN 0.288 nan 8.300 nan 0.000 0.588 397 L N 0.000 121.361 121.223 0.231 0.000 2.949 397 L HA 0.000 4.340 4.340 0.000 0.000 0.249 397 L CA 0.000 54.935 54.840 0.159 0.000 0.813 397 L CB 0.000 42.162 42.059 0.171 0.000 0.961 397 L HN 0.000 nan 8.230 nan 0.000 0.502