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 1g5i_1_B DATA FIRST_RESID 40 DATA SEQUENCE REALVDLCRR RHFLSGTPQQ LSTAALLSGC HARFGPLGVE LRKNLASQWW DATA SEQUENCE SSMVVFREQV FAVDSLHQEP GXXXXRDSAF RLVSPESIRE ILQDREPSKE DATA SEQUENCE QLVAFLENLL KTSGKLRATL LHGALEHYVN CLDLVNRKLP FGLAQIGVCF DATA SEQUENCE HPVSXXXXXX XXXXRVGEKT EASLVWFTPT RTSSQWLDFW LRHRLLWWRK DATA SEQUENCE FAMSPSNFSS ADCQDELGRK GSKLYYSFPW GKEPIETLWN LGDQELLHTY DATA SEQUENCE PGNVSTIQGR DGRKNVVPCV LSVSGDVDLG TLAYLYDSFQ LAEXXXXXXX DATA SEQUENCE XXXRKVLKLH PCLAPIKVAL DVGKGPTVEL RQVCQGLLNE LLENGISVWP DATA SEQUENCE GYSETVHSSL EQLHSKYDEM SVLFSVLVTE TTLENGLIQL RSRDTTMKEM DATA SEQUENCE MHISKLRDFL VKYLASASNV A 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 40 R HA 0.000 nan 4.340 nan 0.000 0.208 40 R C 0.000 176.295 176.300 -0.008 0.000 0.893 40 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 40 R CB 0.000 30.287 30.300 -0.022 0.000 0.687 41 E N 2.855 123.053 120.200 -0.005 0.000 2.465 41 E HA -0.011 4.339 4.350 -0.000 0.000 0.260 41 E C 0.625 177.190 176.600 -0.058 0.000 0.980 41 E CA 1.006 57.406 56.400 0.001 0.000 0.927 41 E CB 1.308 31.033 29.700 0.041 0.000 0.934 41 E HN 0.699 nan 8.360 nan 0.000 0.459 42 A N 6.286 129.073 122.820 -0.056 0.000 1.884 42 A HA -0.233 4.086 4.320 -0.000 0.000 0.219 42 A C 2.069 179.436 177.584 -0.362 0.000 1.197 42 A CA 1.478 53.453 52.037 -0.104 0.000 0.637 42 A CB -0.513 18.525 19.000 0.063 0.000 0.827 42 A HN 0.742 nan 8.150 nan 0.000 0.450 43 L N 0.005 120.803 121.223 -0.708 0.000 1.994 43 L HA -0.130 4.209 4.340 -0.000 0.000 0.208 43 L C 2.497 179.054 176.870 -0.522 0.000 1.071 43 L CA 2.306 56.547 54.840 -0.999 0.000 0.745 43 L CB -0.864 40.506 42.059 -1.149 0.000 0.892 43 L HN 0.272 nan 8.230 nan 0.000 0.431 44 V N 0.578 120.281 119.914 -0.353 0.000 2.407 44 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 44 V C 2.370 178.388 176.094 -0.127 0.000 1.055 44 V CA 2.044 64.228 62.300 -0.193 0.000 1.049 44 V CB -0.601 31.172 31.823 -0.083 0.000 0.662 44 V HN 0.542 nan 8.190 nan 0.000 0.455 45 D N -0.164 120.164 120.400 -0.121 0.000 2.117 45 D HA -0.199 4.441 4.640 -0.000 0.000 0.197 45 D C 2.128 178.388 176.300 -0.067 0.000 0.987 45 D CA 1.517 55.471 54.000 -0.076 0.000 0.829 45 D CB -0.121 40.646 40.800 -0.055 0.000 0.961 45 D HN 0.395 nan 8.370 nan 0.000 0.460 46 L N -0.325 120.848 121.223 -0.083 0.000 2.046 46 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 46 L C 2.139 179.015 176.870 0.009 0.000 1.077 46 L CA 1.283 56.107 54.840 -0.027 0.000 0.747 46 L CB -0.349 41.703 42.059 -0.012 0.000 0.896 46 L HN 0.234 nan 8.230 nan 0.000 0.432 47 C N -0.179 119.104 119.300 -0.029 0.000 2.425 47 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 47 C C 2.878 177.928 174.990 0.101 0.000 1.280 47 C CA 1.045 60.116 59.018 0.088 0.000 1.744 47 C CB -0.977 26.753 27.740 -0.016 0.000 1.989 47 C HN 0.576 nan 8.230 nan 0.000 0.491 48 R N 1.146 121.643 120.500 -0.005 0.000 2.073 48 R HA 0.009 4.349 4.340 -0.000 0.000 0.229 48 R C 2.314 178.494 176.300 -0.199 0.000 1.120 48 R CA 1.439 57.502 56.100 -0.061 0.000 0.967 48 R CB -0.566 29.700 30.300 -0.058 0.000 0.862 48 R HN 0.449 nan 8.270 nan 0.000 0.436 49 R N -0.348 120.065 120.500 -0.145 0.000 2.096 49 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 49 R C 1.307 177.463 176.300 -0.240 0.000 1.127 49 R CA 1.217 57.209 56.100 -0.180 0.000 0.968 49 R CB -0.044 30.215 30.300 -0.069 0.000 0.861 49 R HN 0.026 nan 8.270 nan 0.000 0.440 50 R N -0.131 120.304 120.500 -0.109 0.000 2.388 50 R HA 0.081 4.421 4.340 -0.000 0.000 0.247 50 R C -0.319 175.950 176.300 -0.051 0.000 0.931 50 R CA 0.021 56.100 56.100 -0.035 0.000 1.082 50 R CB -0.372 29.996 30.300 0.113 0.000 1.135 50 R HN 0.357 nan 8.270 nan 0.000 0.525 51 H N -1.207 117.869 119.070 0.010 0.000 2.862 51 H HA -0.188 4.368 4.556 -0.000 0.000 0.290 51 H C 0.495 175.807 175.328 -0.026 0.000 1.211 51 H CA 0.779 56.823 56.048 -0.006 0.000 1.140 51 H CB -1.889 27.850 29.762 -0.039 0.000 1.341 51 H HN 0.183 nan 8.280 nan 0.000 0.392 52 F N 0.027 120.043 119.950 0.110 0.000 2.270 52 F HA 0.163 4.689 4.527 -0.000 0.000 0.295 52 F C 1.754 177.692 175.800 0.229 0.000 1.087 52 F CA 0.799 58.885 58.000 0.143 0.000 1.365 52 F CB 0.484 39.542 39.000 0.096 0.000 1.056 52 F HN -0.007 nan 8.300 nan 0.000 0.506 53 L N -1.465 119.957 121.223 0.331 0.000 2.313 53 L HA 0.465 4.805 4.340 -0.000 0.000 0.268 53 L C 0.184 177.147 176.870 0.154 0.000 1.010 53 L CA -0.597 54.378 54.840 0.224 0.000 0.814 53 L CB 1.771 43.910 42.059 0.133 0.000 1.304 53 L HN -0.221 nan 8.230 nan 0.000 0.441 54 S N -0.780 114.994 115.700 0.124 0.000 2.841 54 S HA 0.938 5.408 4.470 -0.000 0.000 0.318 54 S C -0.481 174.180 174.600 0.102 0.000 1.127 54 S CA 0.147 58.421 58.200 0.124 0.000 0.883 54 S CB 1.677 64.958 63.200 0.136 0.000 1.271 54 S HN 1.127 nan 8.310 nan 0.000 0.567 55 G N 0.696 109.538 108.800 0.070 0.000 2.663 55 G HA2 0.026 3.986 3.960 -0.000 0.000 0.686 55 G HA3 0.026 3.986 3.960 -0.000 0.000 0.686 55 G C -0.204 174.657 174.900 -0.066 0.000 1.288 55 G CA -0.253 44.826 45.100 -0.034 0.000 0.836 55 G HN 1.463 nan 8.290 nan 0.000 0.584 56 T N -0.948 113.533 114.554 -0.121 0.000 2.849 56 T HA 0.644 4.993 4.350 -0.000 0.000 0.284 56 T C -0.887 173.752 174.700 -0.102 0.000 1.004 56 T CA -0.612 61.434 62.100 -0.090 0.000 1.021 56 T CB 1.717 70.531 68.868 -0.090 0.000 1.013 56 T HN 0.319 nan 8.240 nan 0.000 0.527 57 P HA -0.136 nan 4.420 nan 0.000 0.216 57 P C 1.750 179.000 177.300 -0.085 0.000 1.150 57 P CA 1.219 64.279 63.100 -0.068 0.000 0.843 57 P CB 0.016 31.687 31.700 -0.049 0.000 0.787 58 Q N -0.737 119.007 119.800 -0.094 0.000 2.170 58 Q HA -0.169 4.170 4.340 -0.000 0.000 0.203 58 Q C 1.808 177.724 176.000 -0.141 0.000 0.976 58 Q CA 1.146 56.889 55.803 -0.101 0.000 0.858 58 Q CB -0.326 28.358 28.738 -0.091 0.000 0.907 58 Q HN 0.487 nan 8.270 nan 0.000 0.433 59 Q N -0.094 119.579 119.800 -0.213 0.000 2.415 59 Q HA 0.056 4.396 4.340 -0.000 0.000 0.206 59 Q C 0.987 176.867 176.000 -0.199 0.000 0.946 59 Q CA 0.125 55.717 55.803 -0.352 0.000 0.951 59 Q CB 0.341 28.595 28.738 -0.808 0.000 1.026 59 Q HN 0.316 nan 8.270 nan 0.000 0.510 60 L N 0.252 121.406 121.223 -0.116 0.000 2.700 60 L HA 0.156 4.496 4.340 -0.000 0.000 0.234 60 L C 0.684 177.512 176.870 -0.070 0.000 1.156 60 L CA -0.380 54.424 54.840 -0.059 0.000 0.946 60 L CB 0.319 42.347 42.059 -0.051 0.000 1.216 60 L HN 0.079 nan 8.230 nan 0.000 0.493 61 S N -1.985 113.657 115.700 -0.096 0.000 2.603 61 S HA 0.108 4.578 4.470 -0.000 0.000 0.268 61 S C 1.263 175.746 174.600 -0.194 0.000 1.317 61 S CA -0.308 57.815 58.200 -0.129 0.000 1.012 61 S CB 1.348 64.473 63.200 -0.125 0.000 0.926 61 S HN 0.105 nan 8.310 nan 0.000 0.539 62 T N 1.943 116.306 114.554 -0.318 0.000 2.759 62 T HA -0.089 4.261 4.350 -0.000 0.000 0.269 62 T C 2.127 176.548 174.700 -0.466 0.000 1.042 62 T CA 1.669 63.417 62.100 -0.586 0.000 1.140 62 T CB -0.876 67.395 68.868 -0.994 0.000 0.864 62 T HN 0.826 nan 8.240 nan 0.000 0.455 63 A N 1.354 123.982 122.820 -0.320 0.000 1.898 63 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 63 A C 2.652 180.149 177.584 -0.144 0.000 1.181 63 A CA 1.749 53.654 52.037 -0.220 0.000 0.620 63 A CB -1.089 17.816 19.000 -0.157 0.000 0.819 63 A HN 0.502 nan 8.150 nan 0.000 0.442 64 A N -0.200 122.556 122.820 -0.107 0.000 1.877 64 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 64 A C 2.142 179.742 177.584 0.027 0.000 1.186 64 A CA 1.492 53.521 52.037 -0.013 0.000 0.620 64 A CB -0.645 18.342 19.000 -0.021 0.000 0.822 64 A HN 0.463 nan 8.150 nan 0.000 0.443 65 L N -0.758 120.443 121.223 -0.036 0.000 2.191 65 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 65 L C 2.392 179.182 176.870 -0.133 0.000 1.103 65 L CA 0.755 55.547 54.840 -0.079 0.000 0.769 65 L CB -0.342 41.669 42.059 -0.080 0.000 0.908 65 L HN 0.381 nan 8.230 nan 0.000 0.438 66 L N -1.110 120.019 121.223 -0.157 0.000 2.249 66 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 66 L C 2.826 179.639 176.870 -0.096 0.000 1.090 66 L CA 0.993 55.752 54.840 -0.135 0.000 0.802 66 L CB -0.341 41.616 42.059 -0.171 0.000 0.947 66 L HN 0.335 nan 8.230 nan 0.000 0.453 67 S N 0.099 115.749 115.700 -0.083 0.000 2.399 67 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 67 S C 1.678 176.247 174.600 -0.051 0.000 1.022 67 S CA 0.960 59.128 58.200 -0.053 0.000 0.983 67 S CB -0.472 62.709 63.200 -0.031 0.000 0.803 67 S HN 0.550 nan 8.310 nan 0.000 0.480 68 G N -0.336 108.411 108.800 -0.089 0.000 2.160 68 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 68 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 68 G C 0.440 175.292 174.900 -0.081 0.000 1.008 68 G CA 0.149 45.178 45.100 -0.119 0.000 0.724 68 G HN 0.666 nan 8.290 nan 0.000 0.514 69 C N 1.476 120.759 119.300 -0.027 0.000 2.613 69 C HA 0.425 4.885 4.460 -0.000 0.000 0.273 69 C C 0.940 175.982 174.990 0.086 0.000 1.304 69 C CA 0.379 59.413 59.018 0.025 0.000 1.702 69 C CB -1.620 26.142 27.740 0.035 0.000 1.792 69 C HN 0.755 nan 8.230 nan 0.000 0.588 70 H N -2.265 116.772 119.070 -0.054 0.000 3.037 70 H HA 0.538 5.093 4.556 -0.000 0.000 0.355 70 H C -0.924 174.361 175.328 -0.072 0.000 1.263 70 H CA -0.654 55.362 56.048 -0.052 0.000 1.129 70 H CB 1.345 31.073 29.762 -0.057 0.000 1.861 70 H HN -0.066 nan 8.280 nan 0.000 0.546 71 A N 2.907 125.692 122.820 -0.058 0.000 2.473 71 A HA 0.147 4.467 4.320 -0.000 0.000 0.282 71 A C 1.208 178.648 177.584 -0.240 0.000 1.163 71 A CA -0.383 51.580 52.037 -0.123 0.000 0.827 71 A CB -0.325 18.680 19.000 0.010 0.000 1.098 71 A HN 0.786 nan 8.150 nan 0.000 0.515 72 R N 1.524 121.673 120.500 -0.584 0.000 2.115 72 R HA -0.026 4.313 4.340 -0.000 0.000 0.230 72 R C -0.539 175.450 176.300 -0.517 0.000 1.111 72 R CA 0.931 56.581 56.100 -0.751 0.000 0.976 72 R CB -0.069 29.512 30.300 -1.197 0.000 0.870 72 R HN 0.683 nan 8.270 nan 0.000 0.445 73 F N -0.153 119.819 119.950 0.037 0.000 2.399 73 F HA 0.439 4.966 4.527 -0.000 0.000 0.334 73 F C 1.197 177.052 175.800 0.091 0.000 1.097 73 F CA -1.057 56.993 58.000 0.084 0.000 1.076 73 F CB 0.919 39.968 39.000 0.083 0.000 1.162 73 F HN -0.086 nan 8.300 nan 0.000 0.495 74 G N 1.483 110.471 108.800 0.313 0.000 2.532 74 G HA2 0.403 4.362 3.960 -0.000 0.000 0.291 74 G HA3 0.403 4.362 3.960 -0.000 0.000 0.291 74 G C -2.080 172.916 174.900 0.160 0.000 1.349 74 G CA -1.462 43.770 45.100 0.221 0.000 1.038 74 G HN 0.382 nan 8.290 nan 0.000 0.518 75 P HA -0.105 nan 4.420 nan 0.000 0.215 75 P C 2.014 179.306 177.300 -0.014 0.000 1.157 75 P CA 0.735 63.855 63.100 0.033 0.000 0.874 75 P CB 0.123 31.827 31.700 0.006 0.000 0.790 76 L N -1.100 120.060 121.223 -0.106 0.000 2.141 76 L HA -0.002 4.338 4.340 -0.000 0.000 0.209 76 L C 2.513 179.316 176.870 -0.112 0.000 1.094 76 L CA 2.045 56.702 54.840 -0.305 0.000 0.763 76 L CB -1.676 39.834 42.059 -0.914 0.000 0.908 76 L HN 0.009 nan 8.230 nan 0.000 0.437 77 G N -1.479 107.371 108.800 0.083 0.000 2.403 77 G HA2 -0.131 3.828 3.960 -0.000 0.000 0.216 77 G HA3 -0.131 3.828 3.960 -0.000 0.000 0.216 77 G C 1.594 176.447 174.900 -0.079 0.000 1.154 77 G CA 0.794 46.005 45.100 0.186 0.000 0.784 77 G HN 0.224 nan 8.290 nan 0.000 0.538 78 V N 0.617 120.541 119.914 0.018 0.000 2.407 78 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 78 V C 2.800 178.862 176.094 -0.053 0.000 1.055 78 V CA 1.803 64.089 62.300 -0.022 0.000 1.049 78 V CB -0.196 31.658 31.823 0.051 0.000 0.662 78 V HN 0.249 nan 8.190 nan 0.000 0.455 79 E N -0.100 120.082 120.200 -0.030 0.000 2.047 79 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 79 E C 2.106 178.685 176.600 -0.035 0.000 0.987 79 E CA 1.058 57.442 56.400 -0.026 0.000 0.799 79 E CB -0.456 29.235 29.700 -0.015 0.000 0.752 79 E HN 0.457 nan 8.360 nan 0.000 0.449 80 L N 1.654 122.867 121.223 -0.017 0.000 2.012 80 L HA -0.159 4.180 4.340 -0.000 0.000 0.210 80 L C 2.400 179.211 176.870 -0.099 0.000 1.073 80 L CA 1.897 56.726 54.840 -0.019 0.000 0.748 80 L CB -0.543 41.565 42.059 0.081 0.000 0.891 80 L HN -0.013 nan 8.230 nan 0.000 0.431 81 R N -0.063 120.333 120.500 -0.174 0.000 2.096 81 R HA -0.233 4.107 4.340 -0.000 0.000 0.235 81 R C 2.422 178.662 176.300 -0.100 0.000 1.127 81 R CA 1.910 57.896 56.100 -0.190 0.000 0.968 81 R CB -0.231 29.858 30.300 -0.351 0.000 0.861 81 R HN 0.519 nan 8.270 nan 0.000 0.440 82 K N 0.142 120.492 120.400 -0.084 0.000 2.057 82 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 82 K C 1.717 178.291 176.600 -0.043 0.000 1.050 82 K CA 1.612 57.866 56.287 -0.054 0.000 0.935 82 K CB -0.040 32.433 32.500 -0.044 0.000 0.715 82 K HN 0.127 nan 8.250 nan 0.000 0.439 83 N N 1.035 119.699 118.700 -0.061 0.000 2.120 83 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 83 N C 1.676 177.121 175.510 -0.109 0.000 1.024 83 N CA 0.922 53.925 53.050 -0.078 0.000 0.852 83 N CB -0.302 38.123 38.487 -0.104 0.000 1.003 83 N HN 0.160 nan 8.380 nan 0.000 0.424 84 L N 1.127 122.275 121.223 -0.126 0.000 2.046 84 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 84 L C 2.060 179.010 176.870 0.134 0.000 1.077 84 L CA 1.469 56.254 54.840 -0.092 0.000 0.747 84 L CB -0.915 41.129 42.059 -0.025 0.000 0.896 84 L HN 0.119 nan 8.230 nan 0.000 0.432 85 A N -1.760 121.111 122.820 0.085 0.000 1.930 85 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 85 A C 2.395 180.117 177.584 0.231 0.000 1.175 85 A CA 1.840 53.952 52.037 0.125 0.000 0.627 85 A CB -0.832 18.171 19.000 0.005 0.000 0.815 85 A HN 0.505 nan 8.150 nan 0.000 0.443 86 S N -0.306 115.480 115.700 0.142 0.000 2.356 86 S HA -0.157 4.313 4.470 -0.000 0.000 0.223 86 S C 2.133 176.876 174.600 0.239 0.000 1.032 86 S CA 1.326 59.624 58.200 0.163 0.000 1.005 86 S CB -0.282 62.961 63.200 0.072 0.000 0.867 86 S HN 0.590 nan 8.310 nan 0.000 0.449 87 Q N -0.503 119.434 119.800 0.229 0.000 2.170 87 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 87 Q C 1.777 178.096 176.000 0.531 0.000 0.976 87 Q CA 0.988 56.993 55.803 0.337 0.000 0.858 87 Q CB -0.342 28.523 28.738 0.212 0.000 0.907 87 Q HN 0.759 nan 8.270 nan 0.000 0.433 88 W N 0.156 121.645 121.300 0.315 0.000 2.379 88 W HA -0.160 4.500 4.660 -0.000 0.000 0.307 88 W C 2.057 178.537 176.519 -0.064 0.000 1.200 88 W CA 0.928 58.219 57.345 -0.090 0.000 1.297 88 W CB -0.392 28.925 29.460 -0.238 0.000 1.140 88 W HN 0.225 nan 8.180 nan 0.000 0.507 89 W N 0.970 122.433 121.300 0.272 0.000 2.363 89 W HA -0.223 4.437 4.660 -0.000 0.000 0.296 89 W C 2.176 178.588 176.519 -0.178 0.000 1.212 89 W CA 2.123 59.531 57.345 0.106 0.000 1.260 89 W CB -0.723 28.817 29.460 0.133 0.000 1.131 89 W HN -0.164 nan 8.180 nan 0.000 0.530 90 S N 0.388 116.046 115.700 -0.071 0.000 2.348 90 S HA -0.189 4.281 4.470 -0.000 0.000 0.221 90 S C 1.898 176.127 174.600 -0.619 0.000 1.033 90 S CA 1.955 59.873 58.200 -0.469 0.000 1.010 90 S CB -0.655 62.342 63.200 -0.339 0.000 0.891 90 S HN 0.170 nan 8.310 nan 0.000 0.442 91 S N 0.962 116.507 115.700 -0.259 0.000 2.368 91 S HA 0.025 4.495 4.470 -0.000 0.000 0.224 91 S C 1.849 176.311 174.600 -0.230 0.000 1.029 91 S CA 1.168 59.319 58.200 -0.082 0.000 0.988 91 S CB -0.244 62.943 63.200 -0.021 0.000 0.838 91 S HN 0.260 nan 8.310 nan 0.000 0.462 92 M N 0.209 119.417 119.600 -0.652 0.000 2.435 92 M HA 0.166 4.646 4.480 -0.000 0.000 0.265 92 M C 1.451 177.346 176.300 -0.675 0.000 1.104 92 M CA 0.819 55.635 55.300 -0.806 0.000 1.140 92 M CB 0.170 31.731 32.600 -1.731 0.000 1.372 92 M HN 0.132 nan 8.290 nan 0.000 0.456 93 V N -2.904 116.545 119.914 -0.776 0.000 2.950 93 V HA 0.057 4.177 4.120 -0.000 0.000 0.231 93 V C 1.927 177.710 176.094 -0.518 0.000 1.205 93 V CA 0.450 62.288 62.300 -0.769 0.000 1.239 93 V CB -0.255 30.692 31.823 -1.460 0.000 1.050 93 V HN 0.040 nan 8.190 nan 0.000 0.498 94 V N 0.208 119.800 119.914 -0.536 0.000 2.332 94 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 94 V C 1.982 177.983 176.094 -0.155 0.000 1.055 94 V CA 2.118 64.208 62.300 -0.349 0.000 1.038 94 V CB -0.700 30.842 31.823 -0.469 0.000 0.651 94 V HN 0.510 nan 8.190 nan 0.000 0.450 95 F N 1.059 120.951 119.950 -0.096 0.000 2.664 95 F HA 0.303 4.830 4.527 -0.000 0.000 0.301 95 F C 0.995 176.761 175.800 -0.058 0.000 1.126 95 F CA -0.359 57.609 58.000 -0.053 0.000 1.373 95 F CB -0.535 38.456 39.000 -0.016 0.000 1.042 95 F HN 0.144 nan 8.300 nan 0.000 0.535 96 R N 1.138 121.666 120.500 0.047 0.000 2.521 96 R HA 0.156 4.496 4.340 -0.000 0.000 0.295 96 R C 0.977 177.239 176.300 -0.063 0.000 1.183 96 R CA -0.201 55.911 56.100 0.019 0.000 0.957 96 R CB 1.036 31.352 30.300 0.027 0.000 1.171 96 R HN 0.178 nan 8.270 nan 0.000 0.494 97 E N 2.422 122.602 120.200 -0.034 0.000 2.267 97 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 97 E C 0.469 176.958 176.600 -0.185 0.000 0.998 97 E CA 1.443 57.783 56.400 -0.100 0.000 0.830 97 E CB 0.214 29.908 29.700 -0.010 0.000 0.751 97 E HN 0.600 nan 8.360 nan 0.000 0.491 98 Q N 0.533 120.315 119.800 -0.029 0.000 2.403 98 Q HA 0.159 4.499 4.340 -0.000 0.000 0.203 98 Q C -0.294 175.744 176.000 0.064 0.000 0.932 98 Q CA -0.051 55.806 55.803 0.091 0.000 0.945 98 Q CB 1.063 29.974 28.738 0.288 0.000 1.045 98 Q HN 0.044 nan 8.270 nan 0.000 0.511 99 V N 1.215 121.009 119.914 -0.200 0.000 2.417 99 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 99 V C -0.643 175.166 176.094 -0.476 0.000 1.024 99 V CA -0.547 61.677 62.300 -0.126 0.000 0.861 99 V CB 0.801 32.570 31.823 -0.089 0.000 0.985 99 V HN 0.045 nan 8.190 nan 0.000 0.436 100 F N 2.095 122.112 119.950 0.111 0.000 2.538 100 F HA 0.788 5.315 4.527 -0.000 0.000 0.325 100 F C 0.645 176.515 175.800 0.117 0.000 1.066 100 F CA -0.813 57.241 58.000 0.090 0.000 0.946 100 F CB 1.583 40.638 39.000 0.092 0.000 1.199 100 F HN 0.545 nan 8.300 nan 0.000 0.473 101 A N 1.497 124.522 122.820 0.341 0.000 2.388 101 A HA 0.610 4.930 4.320 -0.000 0.000 0.257 101 A C -0.806 176.958 177.584 0.300 0.000 1.095 101 A CA -0.442 51.842 52.037 0.413 0.000 0.791 101 A CB 0.864 20.208 19.000 0.573 0.000 1.029 101 A HN 0.691 nan 8.150 nan 0.000 0.489 102 V N 1.572 121.636 119.914 0.250 0.000 2.925 102 V HA 0.635 4.755 4.120 -0.000 0.000 0.311 102 V C -1.629 174.467 176.094 0.002 0.000 1.104 102 V CA -0.535 61.808 62.300 0.071 0.000 0.954 102 V CB 2.341 34.210 31.823 0.077 0.000 1.022 102 V HN 1.119 nan 8.190 nan 0.000 0.427 103 D N 3.223 123.531 120.400 -0.153 0.000 2.646 103 D HA 0.801 5.440 4.640 -0.000 0.000 0.245 103 D C -0.723 175.482 176.300 -0.159 0.000 1.099 103 D CA 0.020 53.960 54.000 -0.100 0.000 0.849 103 D CB 2.387 43.164 40.800 -0.039 0.000 1.448 103 D HN 0.872 nan 8.370 nan 0.000 0.489 104 S N 2.056 117.733 115.700 -0.039 0.000 2.618 104 S HA 0.582 5.052 4.470 -0.000 0.000 0.277 104 S C -0.415 174.211 174.600 0.042 0.000 1.138 104 S CA -1.026 57.215 58.200 0.068 0.000 0.844 104 S CB 0.646 63.923 63.200 0.128 0.000 1.127 104 S HN 0.467 nan 8.310 nan 0.000 0.474 105 L N 1.153 122.436 121.223 0.099 0.000 2.473 105 L HA 0.270 4.610 4.340 -0.000 0.000 0.268 105 L C 1.266 178.169 176.870 0.054 0.000 1.215 105 L CA -0.382 54.525 54.840 0.112 0.000 0.823 105 L CB 0.029 42.160 42.059 0.121 0.000 1.099 105 L HN 0.843 nan 8.230 nan 0.000 0.483 106 H N -1.091 118.047 119.070 0.114 0.000 2.535 106 H HA 0.007 4.562 4.556 -0.000 0.000 0.273 106 H C -0.283 175.114 175.328 0.116 0.000 0.983 106 H CA 0.273 56.423 56.048 0.171 0.000 1.238 106 H CB 0.152 30.050 29.762 0.227 0.000 1.412 106 H HN 0.501 nan 8.280 nan 0.000 0.562 107 Q N -0.022 119.869 119.800 0.151 0.000 2.342 107 Q HA 0.518 4.858 4.340 -0.000 0.000 0.267 107 Q C -0.841 175.189 176.000 0.050 0.000 1.038 107 Q CA -0.737 55.108 55.803 0.070 0.000 0.832 107 Q CB 2.468 31.224 28.738 0.030 0.000 1.323 107 Q HN 0.190 nan 8.270 nan 0.000 0.448 108 E N 1.401 121.615 120.200 0.023 0.000 2.249 108 E HA 0.484 4.834 4.350 -0.000 0.000 0.263 108 E C -2.431 174.157 176.600 -0.020 0.000 0.950 108 E CA -2.458 53.942 56.400 -0.000 0.000 0.827 108 E CB 1.121 30.804 29.700 -0.027 0.000 1.220 108 E HN 0.414 nan 8.360 nan 0.000 0.411 109 P HA 0.085 nan 4.420 nan 0.000 0.272 109 P C -0.247 177.027 177.300 -0.042 0.000 1.223 109 P CA -0.163 62.915 63.100 -0.037 0.000 0.784 109 P CB 0.536 32.212 31.700 -0.041 0.000 0.923 116 D N 0.160 120.560 120.400 -0.001 0.000 4.528 116 D HA -0.256 4.384 4.640 -0.000 0.000 0.253 116 D C 0.875 177.187 176.300 0.020 0.000 0.519 116 D CA 2.927 56.932 54.000 0.008 0.000 1.128 116 D CB -1.283 39.527 40.800 0.017 0.000 0.662 116 D HN 0.381 nan 8.370 nan 0.000 0.364 117 S N 0.419 116.151 115.700 0.052 0.000 2.535 117 S HA 0.448 4.918 4.470 -0.000 0.000 0.214 117 S C 0.496 175.191 174.600 0.159 0.000 0.980 117 S CA 0.445 58.697 58.200 0.087 0.000 0.907 117 S CB 0.627 63.894 63.200 0.112 0.000 0.790 117 S HN 0.651 nan 8.310 nan 0.000 0.510 118 A N 1.935 124.834 122.820 0.131 0.000 2.546 118 A HA 0.374 4.694 4.320 -0.000 0.000 0.243 118 A C -0.137 177.582 177.584 0.225 0.000 1.063 118 A CA 0.024 52.168 52.037 0.178 0.000 0.757 118 A CB -0.373 18.680 19.000 0.089 0.000 0.991 118 A HN 0.234 nan 8.150 nan 0.000 0.503 119 F N 2.056 121.988 119.950 -0.030 0.000 2.553 119 F HA 0.221 4.748 4.527 -0.000 0.000 0.356 119 F C 1.311 177.071 175.800 -0.066 0.000 1.142 119 F CA 0.445 58.418 58.000 -0.045 0.000 1.322 119 F CB 0.540 39.506 39.000 -0.056 0.000 1.126 119 F HN 0.468 nan 8.300 nan 0.000 0.599 120 R N 3.372 123.880 120.500 0.013 0.000 2.428 120 R HA 0.442 4.782 4.340 -0.000 0.000 0.294 120 R C -0.742 175.552 176.300 -0.010 0.000 1.000 120 R CA -0.822 55.267 56.100 -0.019 0.000 0.960 120 R CB 0.873 31.136 30.300 -0.063 0.000 1.076 120 R HN 0.555 nan 8.270 nan 0.000 0.475 121 L N 2.741 123.951 121.223 -0.022 0.000 2.281 121 L HA 0.405 4.745 4.340 -0.000 0.000 0.285 121 L C -0.190 176.668 176.870 -0.021 0.000 1.074 121 L CA -0.733 54.093 54.840 -0.022 0.000 0.817 121 L CB 1.065 43.104 42.059 -0.033 0.000 1.168 121 L HN 0.131 nan 8.230 nan 0.000 0.434 122 V N 1.966 121.876 119.914 -0.007 0.000 2.531 122 V HA 0.216 4.336 4.120 -0.000 0.000 0.301 122 V C 0.270 176.376 176.094 0.019 0.000 1.034 122 V CA -0.708 61.593 62.300 0.001 0.000 0.865 122 V CB 2.071 33.904 31.823 0.015 0.000 0.995 122 V HN 0.893 nan 8.190 nan 0.000 0.424 123 S N 6.500 122.213 115.700 0.021 0.000 2.533 123 S HA 0.253 4.723 4.470 -0.000 0.000 0.282 123 S C -0.996 173.635 174.600 0.051 0.000 1.304 123 S CA -0.581 57.636 58.200 0.029 0.000 1.063 123 S CB 1.127 64.342 63.200 0.025 0.000 0.881 123 S HN 0.647 nan 8.310 nan 0.000 0.493 124 P HA -0.126 nan 4.420 nan 0.000 0.217 124 P C 1.145 178.470 177.300 0.042 0.000 1.151 124 P CA 1.118 64.242 63.100 0.040 0.000 0.828 124 P CB 0.031 31.745 31.700 0.024 0.000 0.788 125 E N 0.935 121.157 120.200 0.037 0.000 2.070 125 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 125 E C 2.242 178.874 176.600 0.054 0.000 1.004 125 E CA 1.947 58.367 56.400 0.034 0.000 0.805 125 E CB -0.952 28.765 29.700 0.028 0.000 0.744 125 E HN 0.369 nan 8.360 nan 0.000 0.451 126 S N 1.053 116.807 115.700 0.089 0.000 2.400 126 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 126 S C 2.075 176.800 174.600 0.208 0.000 1.025 126 S CA 0.876 59.175 58.200 0.165 0.000 0.993 126 S CB -0.418 62.893 63.200 0.185 0.000 0.808 126 S HN 0.238 nan 8.310 nan 0.000 0.478 127 I N 0.588 121.245 120.570 0.145 0.000 2.500 127 I HA 0.014 4.184 4.170 -0.000 0.000 0.252 127 I C 3.042 179.106 176.117 -0.088 0.000 1.142 127 I CA 0.717 62.019 61.300 0.004 0.000 1.451 127 I CB -0.237 37.783 38.000 0.034 0.000 1.093 127 I HN 0.245 nan 8.210 nan 0.000 0.430 128 R N 0.496 120.980 120.500 -0.028 0.000 2.148 128 R HA -0.152 4.188 4.340 -0.000 0.000 0.223 128 R C 2.120 178.393 176.300 -0.046 0.000 1.088 128 R CA 0.952 57.030 56.100 -0.038 0.000 0.985 128 R CB -0.103 30.189 30.300 -0.013 0.000 0.880 128 R HN 0.387 nan 8.270 nan 0.000 0.451 129 E N 0.694 120.878 120.200 -0.026 0.000 2.051 129 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 129 E C 1.845 178.409 176.600 -0.060 0.000 0.991 129 E CA 1.111 57.500 56.400 -0.018 0.000 0.799 129 E CB 0.004 29.720 29.700 0.027 0.000 0.748 129 E HN 0.177 nan 8.360 nan 0.000 0.449 130 I N 0.253 120.740 120.570 -0.138 0.000 2.353 130 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 130 I C 1.817 177.830 176.117 -0.174 0.000 1.119 130 I CA 0.620 61.793 61.300 -0.212 0.000 1.417 130 I CB 0.105 37.798 38.000 -0.513 0.000 1.078 130 I HN 0.158 nan 8.210 nan 0.000 0.421 131 L N 0.119 121.242 121.223 -0.166 0.000 2.456 131 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 131 L C 2.217 179.042 176.870 -0.076 0.000 1.148 131 L CA 1.494 56.264 54.840 -0.118 0.000 0.825 131 L CB -0.998 40.999 42.059 -0.102 0.000 0.937 131 L HN 0.370 nan 8.230 nan 0.000 0.450 132 Q N -1.042 118.719 119.800 -0.065 0.000 2.212 132 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 132 Q C 0.294 176.270 176.000 -0.039 0.000 0.950 132 Q CA 0.161 55.938 55.803 -0.043 0.000 0.863 132 Q CB 0.192 28.911 28.738 -0.032 0.000 0.944 132 Q HN 0.390 nan 8.270 nan 0.000 0.465 133 D N -0.654 119.718 120.400 -0.046 0.000 2.533 133 D HA -0.060 4.580 4.640 -0.000 0.000 0.236 133 D C 1.092 177.372 176.300 -0.034 0.000 1.137 133 D CA 0.460 54.438 54.000 -0.037 0.000 0.867 133 D CB 0.777 41.551 40.800 -0.044 0.000 1.170 133 D HN 0.207 nan 8.370 nan 0.000 0.474 134 R N 3.200 123.685 120.500 -0.025 0.000 2.161 134 R HA 0.023 4.363 4.340 -0.000 0.000 0.213 134 R C 0.956 177.244 176.300 -0.021 0.000 1.055 134 R CA 0.778 56.865 56.100 -0.022 0.000 0.996 134 R CB -0.503 29.787 30.300 -0.016 0.000 0.901 134 R HN 0.602 nan 8.270 nan 0.000 0.456 135 E N 0.945 121.133 120.200 -0.020 0.000 2.130 135 E HA 0.168 4.518 4.350 -0.000 0.000 0.284 135 E C -1.632 174.954 176.600 -0.023 0.000 1.018 135 E CA -2.135 54.255 56.400 -0.018 0.000 0.817 135 E CB 1.734 31.426 29.700 -0.013 0.000 1.078 135 E HN 0.244 nan 8.360 nan 0.000 0.396 136 P HA -0.119 nan 4.420 nan 0.000 0.199 136 P C -0.377 176.910 177.300 -0.021 0.000 1.146 136 P CA 0.463 63.546 63.100 -0.028 0.000 0.905 136 P CB 0.034 31.720 31.700 -0.024 0.000 0.737 137 S N -1.206 114.486 115.700 -0.014 0.000 3.373 137 S HA -0.109 4.361 4.470 -0.000 0.000 0.728 137 S C 0.783 175.381 174.600 -0.004 0.000 0.612 137 S CA 0.533 58.729 58.200 -0.007 0.000 1.473 137 S CB -1.707 61.491 63.200 -0.004 0.000 0.990 137 S HN 0.476 nan 8.310 nan 0.000 0.936 138 K N 2.367 122.766 120.400 -0.002 0.000 2.360 138 K HA -0.166 4.154 4.320 -0.000 0.000 0.201 138 K C 1.583 178.189 176.600 0.010 0.000 1.046 138 K CA 1.990 58.278 56.287 0.002 0.000 0.940 138 K CB -0.055 32.446 32.500 0.001 0.000 0.748 138 K HN 0.668 nan 8.250 nan 0.000 0.465 139 E N 0.271 120.478 120.200 0.011 0.000 2.076 139 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 139 E C 1.895 178.512 176.600 0.029 0.000 0.979 139 E CA 1.174 57.584 56.400 0.017 0.000 0.807 139 E CB 0.153 29.860 29.700 0.012 0.000 0.761 139 E HN 0.305 nan 8.360 nan 0.000 0.454 140 Q N -0.205 119.611 119.800 0.027 0.000 2.123 140 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 140 Q C 2.131 178.174 176.000 0.071 0.000 0.966 140 Q CA 0.942 56.771 55.803 0.044 0.000 0.845 140 Q CB 0.011 28.763 28.738 0.024 0.000 0.907 140 Q HN 0.245 nan 8.270 nan 0.000 0.439 141 L N -0.557 120.689 121.223 0.038 0.000 2.005 141 L HA -0.154 4.185 4.340 -0.000 0.000 0.207 141 L C 2.281 179.214 176.870 0.105 0.000 1.072 141 L CA 0.773 55.637 54.840 0.040 0.000 0.744 141 L CB -0.628 41.426 42.059 -0.009 0.000 0.895 141 L HN 0.083 nan 8.230 nan 0.000 0.433 142 V N 0.423 120.377 119.914 0.067 0.000 2.392 142 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 142 V C 2.728 178.866 176.094 0.073 0.000 1.059 142 V CA 1.817 64.154 62.300 0.062 0.000 1.051 142 V CB -0.792 31.050 31.823 0.032 0.000 0.658 142 V HN 0.492 nan 8.190 nan 0.000 0.455 143 A N -1.217 121.649 122.820 0.077 0.000 2.067 143 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 143 A C 2.030 179.660 177.584 0.076 0.000 1.158 143 A CA 1.650 53.723 52.037 0.059 0.000 0.661 143 A CB -0.552 18.480 19.000 0.053 0.000 0.801 143 A HN 0.568 nan 8.150 nan 0.000 0.452 144 F N 0.093 120.033 119.950 -0.015 0.000 2.118 144 F HA 0.053 4.580 4.527 -0.000 0.000 0.293 144 F C 1.778 177.565 175.800 -0.021 0.000 1.102 144 F CA 1.295 59.285 58.000 -0.017 0.000 1.247 144 F CB -0.116 38.874 39.000 -0.016 0.000 1.017 144 F HN 0.082 nan 8.300 nan 0.000 0.475 145 L N 0.131 121.508 121.223 0.256 0.000 2.450 145 L HA -0.164 4.176 4.340 -0.000 0.000 0.224 145 L C 2.144 179.009 176.870 -0.008 0.000 1.149 145 L CA 1.155 56.070 54.840 0.124 0.000 0.816 145 L CB -0.530 41.603 42.059 0.124 0.000 0.932 145 L HN 0.355 nan 8.230 nan 0.000 0.449 146 E N 0.125 120.312 120.200 -0.023 0.000 2.075 146 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 146 E C 1.797 178.341 176.600 -0.092 0.000 0.969 146 E CA 0.535 56.908 56.400 -0.044 0.000 0.815 146 E CB 0.196 29.883 29.700 -0.022 0.000 0.776 146 E HN 0.310 nan 8.360 nan 0.000 0.457 147 N N 0.380 118.995 118.700 -0.140 0.000 2.223 147 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 147 N C 1.756 177.134 175.510 -0.220 0.000 1.016 147 N CA 0.708 53.651 53.050 -0.180 0.000 0.863 147 N CB 0.000 38.352 38.487 -0.226 0.000 0.983 147 N HN 0.131 nan 8.380 nan 0.000 0.429 148 L N -0.566 120.489 121.223 -0.281 0.000 2.005 148 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 148 L C 1.747 178.533 176.870 -0.141 0.000 1.072 148 L CA 0.689 55.384 54.840 -0.241 0.000 0.744 148 L CB -0.366 41.553 42.059 -0.232 0.000 0.895 148 L HN 0.238 nan 8.230 nan 0.000 0.433 149 L N -0.405 120.752 121.223 -0.111 0.000 2.549 149 L HA -0.181 4.159 4.340 -0.000 0.000 0.230 149 L C 2.111 178.939 176.870 -0.071 0.000 1.162 149 L CA 1.629 56.420 54.840 -0.081 0.000 0.834 149 L CB -0.445 41.576 42.059 -0.063 0.000 0.947 149 L HN 0.121 nan 8.230 nan 0.000 0.452 150 K N -2.282 118.069 120.400 -0.080 0.000 2.464 150 K HA 0.193 4.513 4.320 -0.000 0.000 0.206 150 K C 1.441 178.001 176.600 -0.067 0.000 1.186 150 K CA 0.999 57.246 56.287 -0.065 0.000 0.990 150 K CB 0.938 33.403 32.500 -0.059 0.000 1.003 150 K HN 0.400 nan 8.250 nan 0.000 0.562 151 T N -2.573 111.930 114.554 -0.084 0.000 2.975 151 T HA 0.215 4.565 4.350 -0.000 0.000 0.257 151 T C 0.756 175.412 174.700 -0.073 0.000 1.003 151 T CA -0.277 61.777 62.100 -0.077 0.000 0.932 151 T CB 0.436 69.251 68.868 -0.087 0.000 1.087 151 T HN -0.230 nan 8.240 nan 0.000 0.512 152 S N 1.872 117.523 115.700 -0.082 0.000 2.549 152 S HA 0.574 5.044 4.470 -0.000 0.000 0.279 152 S C 1.001 175.570 174.600 -0.051 0.000 1.321 152 S CA -0.536 57.622 58.200 -0.069 0.000 1.054 152 S CB 0.733 63.887 63.200 -0.077 0.000 0.899 152 S HN 0.683 nan 8.310 nan 0.000 0.497 153 G N 2.006 110.782 108.800 -0.040 0.000 2.634 153 G HA2 0.427 4.387 3.960 -0.000 0.000 0.255 153 G HA3 0.427 4.387 3.960 -0.000 0.000 0.255 153 G C -0.398 174.484 174.900 -0.029 0.000 1.205 153 G CA -0.578 44.503 45.100 -0.031 0.000 0.884 153 G HN 0.701 nan 8.290 nan 0.000 0.549 154 K N -0.546 119.841 120.400 -0.022 0.000 2.443 154 K HA 0.542 4.862 4.320 -0.000 0.000 0.251 154 K C -0.939 175.651 176.600 -0.017 0.000 0.972 154 K CA -1.024 55.254 56.287 -0.014 0.000 0.833 154 K CB 1.779 34.277 32.500 -0.004 0.000 1.317 154 K HN 0.297 nan 8.250 nan 0.000 0.441 155 L N 3.194 124.393 121.223 -0.041 0.000 2.410 155 L HA 0.217 4.557 4.340 -0.000 0.000 0.273 155 L C 0.851 177.765 176.870 0.074 0.000 1.152 155 L CA -0.562 54.228 54.840 -0.083 0.000 0.855 155 L CB 0.368 42.207 42.059 -0.365 0.000 1.129 155 L HN 0.691 nan 8.230 nan 0.000 0.463 156 R N 2.967 123.565 120.500 0.163 0.000 2.623 156 R HA 0.241 4.581 4.340 -0.000 0.000 0.271 156 R C 0.413 176.785 176.300 0.120 0.000 1.043 156 R CA 0.280 56.465 56.100 0.143 0.000 1.083 156 R CB 0.528 30.907 30.300 0.133 0.000 0.974 156 R HN 0.715 nan 8.270 nan 0.000 0.436 157 A N 2.347 125.186 122.820 0.032 0.000 2.252 157 A HA 0.128 4.448 4.320 -0.000 0.000 0.213 157 A C 0.452 178.009 177.584 -0.044 0.000 1.188 157 A CA 0.837 52.800 52.037 -0.123 0.000 0.863 157 A CB 0.250 19.222 19.000 -0.046 0.000 0.893 157 A HN 0.945 nan 8.150 nan 0.000 0.495 158 T N -4.638 109.954 114.554 0.064 0.000 2.792 158 T HA 0.518 4.868 4.350 -0.000 0.000 0.303 158 T C 0.120 174.870 174.700 0.083 0.000 1.310 158 T CA -0.521 61.636 62.100 0.094 0.000 1.007 158 T CB 0.555 69.499 68.868 0.127 0.000 1.335 158 T HN -0.031 nan 8.240 nan 0.000 0.504 159 L N 1.129 122.387 121.223 0.058 0.000 2.592 159 L HA 0.240 4.580 4.340 -0.000 0.000 0.227 159 L C 2.181 179.089 176.870 0.063 0.000 1.127 159 L CA -0.035 54.834 54.840 0.048 0.000 0.884 159 L CB -0.403 41.667 42.059 0.018 0.000 1.065 159 L HN 0.610 nan 8.230 nan 0.000 0.457 160 L N 0.373 121.616 121.223 0.033 0.000 1.971 160 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 160 L C 2.375 179.202 176.870 -0.071 0.000 1.072 160 L CA 2.234 57.040 54.840 -0.056 0.000 0.758 160 L CB -0.633 41.322 42.059 -0.174 0.000 0.889 160 L HN 0.241 nan 8.230 nan 0.000 0.433 161 H N -0.864 118.261 119.070 0.091 0.000 2.422 161 H HA -0.041 4.515 4.556 -0.000 0.000 0.298 161 H C 2.096 177.505 175.328 0.135 0.000 1.098 161 H CA 1.343 57.451 56.048 0.100 0.000 1.315 161 H CB -0.555 29.249 29.762 0.070 0.000 1.382 161 H HN 0.542 nan 8.280 nan 0.000 0.523 162 G N 0.009 108.947 108.800 0.230 0.000 2.408 162 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 162 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 162 G C 1.875 176.985 174.900 0.349 0.000 1.150 162 G CA 0.687 45.945 45.100 0.264 0.000 0.776 162 G HN 0.514 nan 8.290 nan 0.000 0.542 163 A N 0.745 123.725 122.820 0.268 0.000 1.873 163 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 163 A C 2.414 180.265 177.584 0.445 0.000 1.186 163 A CA 1.100 53.341 52.037 0.341 0.000 0.616 163 A CB -0.397 18.761 19.000 0.264 0.000 0.823 163 A HN 0.326 nan 8.150 nan 0.000 0.442 164 L N -0.738 120.696 121.223 0.352 0.000 2.042 164 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 164 L C 2.526 179.615 176.870 0.366 0.000 1.076 164 L CA 1.838 56.902 54.840 0.372 0.000 0.749 164 L CB -0.789 41.399 42.059 0.215 0.000 0.893 164 L HN 0.461 nan 8.230 nan 0.000 0.432 165 E N -0.666 119.672 120.200 0.229 0.000 2.153 165 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 165 E C 1.524 178.161 176.600 0.062 0.000 0.988 165 E CA 1.056 57.490 56.400 0.057 0.000 0.811 165 E CB 0.007 29.691 29.700 -0.026 0.000 0.746 165 E HN 0.576 nan 8.360 nan 0.000 0.466 166 H N -1.884 117.332 119.070 0.244 0.000 2.529 166 H HA 0.038 4.594 4.556 -0.000 0.000 0.277 166 H C 0.941 176.387 175.328 0.195 0.000 1.004 166 H CA -0.031 56.136 56.048 0.199 0.000 1.167 166 H CB 0.137 29.999 29.762 0.166 0.000 1.445 166 H HN 0.204 nan 8.280 nan 0.000 0.554 167 Y N 0.614 121.038 120.300 0.206 0.000 2.097 167 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 167 Y C 2.038 177.883 175.900 -0.092 0.000 1.152 167 Y CA 1.472 59.552 58.100 -0.033 0.000 1.136 167 Y CB -0.605 37.712 38.460 -0.238 0.000 0.975 167 Y HN 0.027 nan 8.280 nan 0.000 0.498 168 V N 1.459 121.217 119.914 -0.259 0.000 2.392 168 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 168 V C 2.099 177.991 176.094 -0.336 0.000 1.059 168 V CA 2.198 64.231 62.300 -0.445 0.000 1.051 168 V CB -0.760 30.902 31.823 -0.267 0.000 0.658 168 V HN 0.503 nan 8.190 nan 0.000 0.455 169 N N -0.862 117.734 118.700 -0.173 0.000 2.142 169 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 169 N C 1.801 177.151 175.510 -0.267 0.000 1.023 169 N CA 1.764 54.721 53.050 -0.155 0.000 0.852 169 N CB -0.816 37.649 38.487 -0.036 0.000 0.998 169 N HN 0.500 nan 8.380 nan 0.000 0.424 170 C N 0.485 119.604 119.300 -0.301 0.000 2.450 170 C HA 0.112 4.572 4.460 -0.000 0.000 0.279 170 C C 2.627 177.118 174.990 -0.832 0.000 1.335 170 C CA -0.114 58.596 59.018 -0.514 0.000 1.749 170 C CB -1.244 26.312 27.740 -0.307 0.000 1.963 170 C HN 0.348 nan 8.230 nan 0.000 0.501 171 L N 1.388 122.157 121.223 -0.757 0.000 2.042 171 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 171 L C 2.051 178.607 176.870 -0.524 0.000 1.076 171 L CA 2.756 57.161 54.840 -0.725 0.000 0.749 171 L CB -1.008 40.608 42.059 -0.738 0.000 0.893 171 L HN 0.418 nan 8.230 nan 0.000 0.432 172 D N -1.274 118.873 120.400 -0.422 0.000 2.097 172 D HA -0.243 4.397 4.640 -0.000 0.000 0.195 172 D C 2.163 178.272 176.300 -0.318 0.000 0.989 172 D CA 1.311 55.130 54.000 -0.303 0.000 0.827 172 D CB -0.137 40.523 40.800 -0.233 0.000 0.966 172 D HN 0.278 nan 8.370 nan 0.000 0.456 173 L N 0.465 121.450 121.223 -0.397 0.000 2.079 173 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 173 L C 1.915 178.533 176.870 -0.420 0.000 1.081 173 L CA 1.656 56.251 54.840 -0.409 0.000 0.752 173 L CB -0.498 41.236 42.059 -0.542 0.000 0.896 173 L HN 0.253 nan 8.230 nan 0.000 0.433 174 V N -3.126 116.469 119.914 -0.532 0.000 3.421 174 V HA 0.243 4.363 4.120 -0.000 0.000 0.316 174 V C 0.843 176.782 176.094 -0.258 0.000 1.347 174 V CA 0.191 62.252 62.300 -0.398 0.000 1.183 174 V CB -1.177 30.332 31.823 -0.523 0.000 1.092 174 V HN 0.660 nan 8.190 nan 0.000 0.433 175 N N 2.498 121.055 118.700 -0.239 0.000 2.740 175 N HA -0.236 4.504 4.740 -0.000 0.000 0.248 175 N C 0.705 176.129 175.510 -0.143 0.000 1.062 175 N CA 1.128 54.081 53.050 -0.162 0.000 0.704 175 N CB -0.627 37.796 38.487 -0.107 0.000 0.968 175 N HN 0.858 nan 8.380 nan 0.000 0.547 176 R N -2.798 117.587 120.500 -0.192 0.000 4.016 176 R HA -0.228 4.112 4.340 -0.000 0.000 0.385 176 R C -0.020 176.251 176.300 -0.048 0.000 1.158 176 R CA 1.492 57.514 56.100 -0.130 0.000 1.117 176 R CB -1.381 28.865 30.300 -0.091 0.000 1.635 176 R HN 0.359 nan 8.270 nan 0.000 0.560 177 K N 1.577 121.942 120.400 -0.058 0.000 2.412 177 K HA 0.260 4.580 4.320 -0.000 0.000 0.284 177 K C 0.170 176.832 176.600 0.102 0.000 1.046 177 K CA 0.227 56.521 56.287 0.012 0.000 0.999 177 K CB 0.467 32.968 32.500 0.001 0.000 0.941 177 K HN 0.073 nan 8.250 nan 0.000 0.474 178 L N 5.985 127.274 121.223 0.110 0.000 2.344 178 L HA 0.551 4.891 4.340 -0.000 0.000 0.272 178 L C -1.840 175.073 176.870 0.072 0.000 1.035 178 L CA -2.076 52.831 54.840 0.111 0.000 0.807 178 L CB 1.377 43.479 42.059 0.071 0.000 1.237 178 L HN 0.618 nan 8.230 nan 0.000 0.442 179 P HA 0.577 nan 4.420 nan 0.000 0.285 179 P C -1.424 175.652 177.300 -0.373 0.000 1.285 179 P CA -0.403 62.480 63.100 -0.362 0.000 0.854 179 P CB 1.672 32.976 31.700 -0.661 0.000 1.180 180 F N -3.011 116.420 119.950 -0.865 0.000 2.719 180 F HA 0.751 5.278 4.527 -0.000 0.000 0.309 180 F C -1.191 174.359 175.800 -0.418 0.000 1.138 180 F CA -0.848 56.845 58.000 -0.512 0.000 0.943 180 F CB 0.929 39.917 39.000 -0.020 0.000 1.304 180 F HN 0.539 nan 8.300 nan 0.000 0.445 181 G N 1.409 110.348 108.800 0.232 0.000 2.533 181 G HA2 0.701 4.661 3.960 -0.000 0.000 0.304 181 G HA3 0.701 4.661 3.960 -0.000 0.000 0.304 181 G C -2.284 172.906 174.900 0.482 0.000 1.263 181 G CA -1.196 44.108 45.100 0.339 0.000 0.964 181 G HN 0.833 nan 8.290 nan 0.000 0.479 182 L N 0.929 122.387 121.223 0.391 0.000 2.356 182 L HA 0.702 5.042 4.340 -0.000 0.000 0.277 182 L C 0.234 177.246 176.870 0.238 0.000 0.996 182 L CA -0.853 54.218 54.840 0.384 0.000 0.822 182 L CB 1.953 44.290 42.059 0.464 0.000 1.256 182 L HN 0.671 nan 8.230 nan 0.000 0.413 183 A N 3.842 126.788 122.820 0.209 0.000 2.355 183 A HA 0.820 5.140 4.320 -0.000 0.000 0.324 183 A C -1.006 176.802 177.584 0.372 0.000 1.117 183 A CA -0.443 51.732 52.037 0.230 0.000 0.785 183 A CB 2.037 21.066 19.000 0.049 0.000 1.254 183 A HN 0.696 nan 8.150 nan 0.000 0.453 184 Q N 1.126 121.137 119.800 0.352 0.000 2.386 184 Q HA 0.556 4.896 4.340 -0.000 0.000 0.274 184 Q C -2.193 173.845 176.000 0.064 0.000 1.011 184 Q CA -0.451 55.515 55.803 0.272 0.000 0.867 184 Q CB 1.764 30.579 28.738 0.129 0.000 1.409 184 Q HN 0.726 nan 8.270 nan 0.000 0.395 185 I N 2.706 123.272 120.570 -0.007 0.000 2.382 185 I HA 0.749 4.919 4.170 -0.000 0.000 0.286 185 I C 0.100 176.145 176.117 -0.119 0.000 1.002 185 I CA -0.509 60.689 61.300 -0.170 0.000 1.135 185 I CB 1.818 39.689 38.000 -0.215 0.000 1.288 185 I HN 0.714 nan 8.210 nan 0.000 0.448 186 G N 4.583 113.316 108.800 -0.113 0.000 2.660 186 G HA2 0.545 4.505 3.960 -0.000 0.000 0.290 186 G HA3 0.545 4.505 3.960 -0.000 0.000 0.290 186 G C -1.491 173.358 174.900 -0.085 0.000 1.432 186 G CA -0.505 44.547 45.100 -0.080 0.000 0.807 186 G HN 0.212 nan 8.290 nan 0.000 0.485 187 V N -0.407 119.476 119.914 -0.052 0.000 2.649 187 V HA 0.466 4.586 4.120 -0.000 0.000 0.292 187 V C 0.087 176.006 176.094 -0.290 0.000 1.055 187 V CA -0.229 61.977 62.300 -0.156 0.000 1.023 187 V CB 0.995 32.714 31.823 -0.175 0.000 0.992 187 V HN 0.851 nan 8.190 nan 0.000 0.480 188 C N 4.048 123.126 119.300 -0.370 0.000 2.779 188 C HA 0.719 5.179 4.460 -0.000 0.000 0.314 188 C C -0.543 174.075 174.990 -0.619 0.000 1.231 188 C CA -0.891 57.907 59.018 -0.367 0.000 1.652 188 C CB 1.473 29.141 27.740 -0.120 0.000 2.198 188 C HN 0.695 nan 8.230 nan 0.000 0.483 189 F N 0.841 120.668 119.950 -0.206 0.000 2.458 189 F HA 0.483 5.010 4.527 -0.000 0.000 0.336 189 F C 0.201 175.747 175.800 -0.424 0.000 1.114 189 F CA -0.345 57.535 58.000 -0.200 0.000 0.987 189 F CB 0.730 39.662 39.000 -0.115 0.000 1.130 189 F HN 0.561 nan 8.300 nan 0.000 0.458 190 H N 2.050 121.185 119.070 0.108 0.000 2.906 190 H HA 0.350 4.905 4.556 -0.000 0.000 0.324 190 H C -2.616 172.722 175.328 0.017 0.000 0.973 190 H CA -2.052 54.034 56.048 0.063 0.000 1.321 190 H CB 1.359 31.143 29.762 0.037 0.000 1.535 190 H HN 0.291 nan 8.280 nan 0.000 0.518 191 P HA -0.070 nan 4.420 nan 0.000 0.264 191 P C -0.134 177.216 177.300 0.084 0.000 1.193 191 P CA -0.040 63.090 63.100 0.050 0.000 0.763 191 P CB 0.778 32.594 31.700 0.194 0.000 0.810 192 V N 4.006 123.946 119.914 0.044 0.000 2.649 192 V HA 0.269 4.389 4.120 -0.000 0.000 0.292 192 V C 0.619 176.749 176.094 0.060 0.000 1.055 192 V CA 0.649 62.976 62.300 0.045 0.000 1.023 192 V CB 0.794 32.629 31.823 0.020 0.000 0.992 192 V HN 0.929 nan 8.190 nan 0.000 0.480 205 V N 0.351 120.116 119.914 -0.249 0.000 2.409 205 V HA 0.876 4.996 4.120 -0.000 0.000 0.291 205 V C 0.355 176.423 176.094 -0.043 0.000 1.020 205 V CA -0.015 62.142 62.300 -0.239 0.000 0.848 205 V CB 1.405 32.925 31.823 -0.504 0.000 0.990 205 V HN 0.865 nan 8.190 nan 0.000 0.430 206 G N 4.436 113.245 108.800 0.015 0.000 2.569 206 G HA2 0.502 4.462 3.960 -0.000 0.000 0.249 206 G HA3 0.502 4.462 3.960 -0.000 0.000 0.249 206 G C -0.511 174.420 174.900 0.051 0.000 1.216 206 G CA -0.441 44.679 45.100 0.033 0.000 0.845 206 G HN 0.885 nan 8.290 nan 0.000 0.568 207 E N -0.086 120.105 120.200 -0.016 0.000 2.210 207 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 207 E C -0.577 175.973 176.600 -0.083 0.000 0.883 207 E CA -0.700 55.623 56.400 -0.128 0.000 0.761 207 E CB 2.490 32.097 29.700 -0.155 0.000 1.156 207 E HN 0.461 nan 8.360 nan 0.000 0.412 208 K N 2.002 122.354 120.400 -0.081 0.000 2.468 208 K HA 0.331 4.651 4.320 -0.000 0.000 0.252 208 K C -1.215 175.366 176.600 -0.032 0.000 0.932 208 K CA -0.510 55.771 56.287 -0.011 0.000 0.794 208 K CB 1.926 34.455 32.500 0.048 0.000 1.241 208 K HN 0.364 nan 8.250 nan 0.000 0.428 209 T N 3.170 117.725 114.554 0.001 0.000 2.729 209 T HA 0.100 4.450 4.350 -0.000 0.000 0.296 209 T C -0.464 174.217 174.700 -0.032 0.000 0.928 209 T CA -0.151 61.936 62.100 -0.023 0.000 1.045 209 T CB 0.650 69.518 68.868 -0.000 0.000 0.902 209 T HN 0.582 nan 8.240 nan 0.000 0.500 210 E N 2.201 122.360 120.200 -0.069 0.000 2.179 210 E HA 0.602 4.952 4.350 -0.000 0.000 0.275 210 E C -1.026 175.440 176.600 -0.223 0.000 0.945 210 E CA -1.033 55.314 56.400 -0.089 0.000 0.792 210 E CB 1.026 30.708 29.700 -0.030 0.000 1.125 210 E HN 0.628 nan 8.360 nan 0.000 0.397 211 A N 3.508 126.106 122.820 -0.370 0.000 2.277 211 A HA 0.414 4.734 4.320 -0.000 0.000 0.318 211 A C -0.633 176.624 177.584 -0.545 0.000 1.339 211 A CA -0.553 50.976 52.037 -0.846 0.000 0.875 211 A CB 1.068 19.113 19.000 -1.592 0.000 1.158 211 A HN 0.425 nan 8.150 nan 0.000 0.514 212 S N 2.515 118.037 115.700 -0.297 0.000 2.482 212 S HA 0.707 5.177 4.470 -0.000 0.000 0.303 212 S C -1.056 173.654 174.600 0.183 0.000 1.091 212 S CA -0.519 57.682 58.200 0.001 0.000 1.057 212 S CB 1.067 64.267 63.200 0.001 0.000 1.031 212 S HN 1.210 nan 8.310 nan 0.000 0.485 213 L N 5.417 126.708 121.223 0.113 0.000 2.356 213 L HA 0.766 5.106 4.340 -0.000 0.000 0.277 213 L C -1.524 175.278 176.870 -0.114 0.000 0.996 213 L CA -0.412 54.416 54.840 -0.021 0.000 0.822 213 L CB 1.797 43.675 42.059 -0.302 0.000 1.256 213 L HN 0.511 nan 8.230 nan 0.000 0.413 214 V N 5.208 125.073 119.914 -0.083 0.000 2.378 214 V HA 0.335 4.455 4.120 -0.000 0.000 0.288 214 V C -0.887 175.014 176.094 -0.321 0.000 1.016 214 V CA -0.483 61.681 62.300 -0.226 0.000 0.840 214 V CB 1.590 33.289 31.823 -0.207 0.000 0.994 214 V HN 0.810 nan 8.190 nan 0.000 0.431 215 W N 6.204 127.133 121.300 -0.619 0.000 2.391 215 W HA 0.592 5.252 4.660 -0.000 0.000 0.311 215 W C -1.704 174.399 176.519 -0.692 0.000 1.087 215 W CA -0.785 56.236 57.345 -0.541 0.000 1.209 215 W CB 1.554 30.817 29.460 -0.330 0.000 1.273 215 W HN 0.446 nan 8.180 nan 0.000 0.482 216 F N 4.303 123.782 119.950 -0.785 0.000 2.388 216 F HA 0.391 4.918 4.527 -0.000 0.000 0.358 216 F C 0.603 175.946 175.800 -0.762 0.000 1.122 216 F CA -0.328 57.267 58.000 -0.676 0.000 1.056 216 F CB 1.742 40.289 39.000 -0.755 0.000 1.155 216 F HN 0.016 nan 8.300 nan 0.000 0.461 217 T N 3.814 118.216 114.554 -0.253 0.000 2.868 217 T HA 0.499 4.849 4.350 -0.000 0.000 0.306 217 T C -3.033 171.700 174.700 0.054 0.000 1.224 217 T CA -2.346 59.674 62.100 -0.132 0.000 1.012 217 T CB 1.839 70.681 68.868 -0.042 0.000 1.221 217 T HN 0.082 nan 8.240 nan 0.000 0.499 218 P HA 0.178 nan 4.420 nan 0.000 0.266 218 P C 0.828 178.211 177.300 0.138 0.000 1.195 218 P CA 0.092 63.260 63.100 0.112 0.000 0.768 218 P CB 0.271 32.042 31.700 0.118 0.000 0.838 219 T N 2.545 117.163 114.554 0.106 0.000 2.737 219 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 219 T C 1.626 176.398 174.700 0.120 0.000 1.040 219 T CA 1.547 63.712 62.100 0.109 0.000 1.142 219 T CB -0.423 68.493 68.868 0.080 0.000 0.861 219 T HN 0.569 nan 8.240 nan 0.000 0.456 220 R N 1.676 122.240 120.500 0.107 0.000 2.193 220 R HA -0.080 4.260 4.340 -0.000 0.000 0.229 220 R C 1.730 178.097 176.300 0.112 0.000 1.110 220 R CA 1.785 57.941 56.100 0.094 0.000 0.988 220 R CB -0.682 29.663 30.300 0.074 0.000 0.871 220 R HN 0.523 nan 8.270 nan 0.000 0.458 221 T N -2.339 112.320 114.554 0.176 0.000 3.044 221 T HA 0.106 4.455 4.350 -0.000 0.000 0.260 221 T C 1.692 176.597 174.700 0.342 0.000 1.019 221 T CA 0.135 62.364 62.100 0.215 0.000 0.921 221 T CB 0.570 69.621 68.868 0.305 0.000 1.053 221 T HN 0.315 nan 8.240 nan 0.000 0.533 222 S N 2.334 118.220 115.700 0.308 0.000 2.359 222 S HA -0.172 4.298 4.470 -0.000 0.000 0.224 222 S C 2.170 176.951 174.600 0.301 0.000 1.035 222 S CA 1.559 59.963 58.200 0.340 0.000 1.018 222 S CB -1.144 62.195 63.200 0.231 0.000 0.876 222 S HN 0.424 nan 8.310 nan 0.000 0.448 223 S N 1.916 117.733 115.700 0.195 0.000 2.382 223 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 223 S C 2.167 176.841 174.600 0.123 0.000 1.027 223 S CA 1.371 59.661 58.200 0.150 0.000 0.991 223 S CB -0.446 62.814 63.200 0.100 0.000 0.823 223 S HN 0.660 nan 8.310 nan 0.000 0.469 224 Q N -0.418 119.425 119.800 0.072 0.000 2.079 224 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 224 Q C 1.872 177.839 176.000 -0.056 0.000 0.974 224 Q CA 1.480 57.250 55.803 -0.056 0.000 0.840 224 Q CB -0.216 28.406 28.738 -0.193 0.000 0.898 224 Q HN 0.629 nan 8.270 nan 0.000 0.430 225 W N 0.335 121.683 121.300 0.081 0.000 2.388 225 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 225 W C 1.984 178.588 176.519 0.141 0.000 1.212 225 W CA 0.146 57.525 57.345 0.056 0.000 1.271 225 W CB -0.149 29.452 29.460 0.234 0.000 1.126 225 W HN 0.183 nan 8.180 nan 0.000 0.535 226 L N 0.561 122.037 121.223 0.422 0.000 2.046 226 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 226 L C 1.729 178.736 176.870 0.229 0.000 1.077 226 L CA 2.097 57.139 54.840 0.337 0.000 0.747 226 L CB -0.874 41.329 42.059 0.241 0.000 0.896 226 L HN -0.167 nan 8.230 nan 0.000 0.432 227 D N -1.285 119.205 120.400 0.151 0.000 2.144 227 D HA -0.205 4.434 4.640 -0.000 0.000 0.200 227 D C 1.954 178.287 176.300 0.054 0.000 0.978 227 D CA 1.220 55.269 54.000 0.082 0.000 0.833 227 D CB -0.173 40.654 40.800 0.044 0.000 0.961 227 D HN 0.416 nan 8.370 nan 0.000 0.470 228 F N -0.190 119.686 119.950 -0.122 0.000 2.102 228 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 228 F C 1.986 177.673 175.800 -0.188 0.000 1.105 228 F CA 1.461 59.303 58.000 -0.264 0.000 1.239 228 F CB -0.672 38.011 39.000 -0.528 0.000 0.991 228 F HN -0.023 nan 8.300 nan 0.000 0.474 229 W N 0.188 121.419 121.300 -0.116 0.000 2.358 229 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 229 W C 2.320 178.745 176.519 -0.155 0.000 1.208 229 W CA 0.766 57.975 57.345 -0.227 0.000 1.274 229 W CB -0.724 28.682 29.460 -0.089 0.000 1.138 229 W HN 0.170 nan 8.180 nan 0.000 0.515 230 L N 1.274 122.583 121.223 0.143 0.000 1.990 230 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 230 L C 2.541 179.438 176.870 0.046 0.000 1.072 230 L CA 2.148 57.042 54.840 0.089 0.000 0.755 230 L CB -0.994 41.104 42.059 0.065 0.000 0.889 230 L HN -0.010 nan 8.230 nan 0.000 0.432 231 R N -1.758 118.726 120.500 -0.027 0.000 2.075 231 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 231 R C 2.580 178.839 176.300 -0.069 0.000 1.126 231 R CA 1.512 57.583 56.100 -0.048 0.000 0.963 231 R CB -0.594 29.658 30.300 -0.080 0.000 0.858 231 R HN 0.661 nan 8.270 nan 0.000 0.435 232 H N 0.231 119.109 119.070 -0.321 0.000 2.321 232 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 232 H C 1.757 177.043 175.328 -0.071 0.000 1.087 232 H CA 1.506 57.361 56.048 -0.322 0.000 1.319 232 H CB 0.329 29.686 29.762 -0.676 0.000 1.379 232 H HN 0.110 nan 8.280 nan 0.000 0.501 233 R N 0.413 120.948 120.500 0.059 0.000 2.075 233 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 233 R C 2.494 178.966 176.300 0.286 0.000 1.126 233 R CA 0.475 56.641 56.100 0.110 0.000 0.963 233 R CB -0.988 29.419 30.300 0.179 0.000 0.858 233 R HN 0.300 nan 8.270 nan 0.000 0.435 234 L N 1.152 122.521 121.223 0.243 0.000 2.083 234 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 234 L C 2.088 179.068 176.870 0.182 0.000 1.083 234 L CA 1.489 56.496 54.840 0.280 0.000 0.752 234 L CB -0.509 41.649 42.059 0.165 0.000 0.899 234 L HN 0.069 nan 8.230 nan 0.000 0.433 235 L N -2.322 118.934 121.223 0.055 0.000 2.141 235 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 235 L C 2.322 179.135 176.870 -0.094 0.000 1.094 235 L CA 1.306 56.120 54.840 -0.042 0.000 0.763 235 L CB -0.653 41.347 42.059 -0.099 0.000 0.908 235 L HN 0.492 nan 8.230 nan 0.000 0.437 236 W N 0.197 121.326 121.300 -0.286 0.000 2.355 236 W HA -0.228 4.432 4.660 -0.000 0.000 0.309 236 W C 2.087 178.454 176.519 -0.255 0.000 1.206 236 W CA 1.330 58.457 57.345 -0.364 0.000 1.284 236 W CB -0.485 28.722 29.460 -0.422 0.000 1.145 236 W HN 0.049 nan 8.180 nan 0.000 0.502 237 W N 0.332 121.644 121.300 0.020 0.000 2.358 237 W HA -0.122 4.538 4.660 -0.000 0.000 0.303 237 W C 2.610 178.739 176.519 -0.649 0.000 1.208 237 W CA 1.657 58.794 57.345 -0.347 0.000 1.274 237 W CB -0.679 28.537 29.460 -0.406 0.000 1.138 237 W HN -0.256 nan 8.180 nan 0.000 0.515 238 R N 0.817 121.187 120.500 -0.217 0.000 2.115 238 R HA -0.134 4.206 4.340 -0.000 0.000 0.230 238 R C 2.081 178.251 176.300 -0.216 0.000 1.111 238 R CA 1.622 57.613 56.100 -0.181 0.000 0.976 238 R CB -0.504 29.769 30.300 -0.044 0.000 0.870 238 R HN 0.277 nan 8.270 nan 0.000 0.445 239 K N -0.064 120.083 120.400 -0.422 0.000 2.280 239 K HA -0.100 4.220 4.320 -0.000 0.000 0.202 239 K C 0.846 177.037 176.600 -0.682 0.000 1.047 239 K CA 1.368 57.306 56.287 -0.581 0.000 0.942 239 K CB -0.031 31.990 32.500 -0.798 0.000 0.739 239 K HN 0.083 nan 8.250 nan 0.000 0.457 240 F N 1.273 120.996 119.950 -0.378 0.000 2.749 240 F HA 0.360 4.887 4.527 -0.000 0.000 0.300 240 F C 1.031 176.826 175.800 -0.010 0.000 1.103 240 F CA -0.610 57.138 58.000 -0.419 0.000 1.342 240 F CB 0.169 38.696 39.000 -0.789 0.000 1.098 240 F HN 0.021 nan 8.300 nan 0.000 0.586 241 A N 0.497 123.472 122.820 0.259 0.000 2.340 241 A HA 0.401 4.721 4.320 -0.000 0.000 0.268 241 A C 1.265 179.002 177.584 0.255 0.000 1.100 241 A CA -0.335 51.928 52.037 0.377 0.000 0.803 241 A CB 0.562 19.829 19.000 0.445 0.000 1.043 241 A HN 0.114 nan 8.150 nan 0.000 0.488 242 M N 0.756 120.510 119.600 0.257 0.000 2.287 242 M HA 0.045 4.525 4.480 -0.000 0.000 0.266 242 M C 0.468 176.856 176.300 0.147 0.000 1.079 242 M CA 1.199 56.600 55.300 0.169 0.000 1.146 242 M CB -0.695 31.994 32.600 0.147 0.000 1.374 242 M HN 0.550 nan 8.290 nan 0.000 0.435 243 S N 1.186 116.999 115.700 0.188 0.000 2.269 243 S HA 0.263 4.733 4.470 -0.000 0.000 0.194 243 S C -1.701 173.025 174.600 0.209 0.000 1.547 243 S CA -1.058 57.227 58.200 0.142 0.000 1.186 243 S CB 1.136 64.390 63.200 0.090 0.000 1.069 243 S HN 0.102 nan 8.310 nan 0.000 0.473 244 P HA -0.153 nan 4.420 nan 0.000 0.219 244 P C 1.574 179.008 177.300 0.224 0.000 1.146 244 P CA 1.131 64.382 63.100 0.253 0.000 0.808 244 P CB -0.104 31.671 31.700 0.123 0.000 0.779 245 S N -1.112 114.651 115.700 0.105 0.000 2.500 245 S HA -0.091 4.379 4.470 -0.000 0.000 0.239 245 S C 1.686 176.268 174.600 -0.030 0.000 0.989 245 S CA 0.748 58.970 58.200 0.037 0.000 0.951 245 S CB -1.185 62.013 63.200 -0.003 0.000 0.759 245 S HN 0.039 nan 8.310 nan 0.000 0.523 246 N N 0.616 119.277 118.700 -0.065 0.000 2.515 246 N HA 0.207 4.947 4.740 -0.000 0.000 0.185 246 N C -0.940 174.283 175.510 -0.480 0.000 1.109 246 N CA 0.301 53.138 53.050 -0.356 0.000 0.903 246 N CB -0.229 37.955 38.487 -0.505 0.000 0.969 246 N HN 0.456 nan 8.380 nan 0.000 0.450 247 F N 0.630 120.531 119.950 -0.081 0.000 2.361 247 F HA 0.296 4.823 4.527 -0.000 0.000 0.364 247 F C 0.877 176.653 175.800 -0.040 0.000 1.117 247 F CA -0.746 57.223 58.000 -0.053 0.000 1.071 247 F CB 0.988 40.000 39.000 0.021 0.000 1.188 247 F HN -0.194 nan 8.300 nan 0.000 0.464 248 S N 1.502 117.250 115.700 0.080 0.000 2.806 248 S HA 0.944 5.414 4.470 -0.000 0.000 0.315 248 S C -0.472 174.220 174.600 0.153 0.000 1.127 248 S CA -0.601 57.645 58.200 0.078 0.000 0.918 248 S CB 1.856 65.047 63.200 -0.016 0.000 1.240 248 S HN 0.564 nan 8.310 nan 0.000 0.552 249 S N -0.908 114.873 115.700 0.136 0.000 2.596 249 S HA 0.916 5.386 4.470 -0.000 0.000 0.270 249 S C -0.876 173.806 174.600 0.138 0.000 1.155 249 S CA -0.518 57.786 58.200 0.174 0.000 0.827 249 S CB 1.075 64.338 63.200 0.104 0.000 1.130 249 S HN 2.030 nan 8.310 nan 0.000 0.467 250 A N 0.857 123.779 122.820 0.170 0.000 2.612 250 A HA 0.746 5.066 4.320 -0.000 0.000 0.293 250 A C -1.691 175.938 177.584 0.074 0.000 1.075 250 A CA -0.770 51.330 52.037 0.105 0.000 0.680 250 A CB 1.113 20.174 19.000 0.100 0.000 1.279 250 A HN 0.749 nan 8.150 nan 0.000 0.411 251 D N -0.075 120.350 120.400 0.042 0.000 2.348 251 D HA 0.621 5.261 4.640 -0.000 0.000 0.249 251 D C 0.055 176.372 176.300 0.030 0.000 1.110 251 D CA 0.538 54.550 54.000 0.021 0.000 0.967 251 D CB 1.476 42.294 40.800 0.031 0.000 1.139 251 D HN 1.053 nan 8.370 nan 0.000 0.466 252 C N -0.507 118.802 119.300 0.015 0.000 3.295 252 C HA 0.786 5.246 4.460 -0.000 0.000 0.341 252 C C -1.687 173.417 174.990 0.189 0.000 1.418 252 C CA -0.854 58.208 59.018 0.075 0.000 1.240 252 C CB 1.336 29.096 27.740 0.032 0.000 1.562 252 C HN 0.761 nan 8.230 nan 0.000 0.457 253 Q N 0.571 120.565 119.800 0.324 0.000 2.418 253 Q HA 0.678 5.018 4.340 -0.000 0.000 0.282 253 Q C -1.371 174.858 176.000 0.382 0.000 1.044 253 Q CA -0.382 55.680 55.803 0.432 0.000 0.813 253 Q CB 2.055 30.929 28.738 0.226 0.000 1.428 253 Q HN 0.824 nan 8.270 nan 0.000 0.402 254 D N 0.345 120.832 120.400 0.146 0.000 2.469 254 D HA 0.030 4.670 4.640 -0.000 0.000 0.278 254 D C 0.668 176.948 176.300 -0.033 0.000 1.231 254 D CA 0.145 54.090 54.000 -0.090 0.000 1.075 254 D CB 0.332 40.811 40.800 -0.535 0.000 1.121 254 D HN 0.774 nan 8.370 nan 0.000 0.571 255 E N -0.773 119.386 120.200 -0.068 0.000 2.208 255 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 255 E C 1.844 178.423 176.600 -0.035 0.000 0.988 255 E CA 0.657 57.038 56.400 -0.033 0.000 0.828 255 E CB -0.442 29.237 29.700 -0.035 0.000 0.763 255 E HN 0.354 nan 8.360 nan 0.000 0.478 256 L N 0.246 121.430 121.223 -0.065 0.000 2.591 256 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 256 L C 1.417 178.276 176.870 -0.018 0.000 1.133 256 L CA 0.404 55.216 54.840 -0.047 0.000 0.880 256 L CB -0.086 41.930 42.059 -0.071 0.000 1.033 256 L HN 0.471 nan 8.230 nan 0.000 0.450 257 G N 0.505 109.304 108.800 -0.002 0.000 2.176 257 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.253 257 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.253 257 G C 0.360 175.298 174.900 0.064 0.000 0.979 257 G CA -0.329 44.793 45.100 0.037 0.000 0.641 257 G HN 0.355 nan 8.290 nan 0.000 0.530 258 R N 0.910 121.434 120.500 0.040 0.000 2.537 258 R HA 0.341 4.681 4.340 -0.000 0.000 0.280 258 R C 0.564 177.018 176.300 0.256 0.000 1.058 258 R CA 0.116 56.274 56.100 0.097 0.000 1.057 258 R CB 0.580 30.890 30.300 0.016 0.000 0.973 258 R HN 0.250 nan 8.270 nan 0.000 0.438 259 K N 1.174 121.730 120.400 0.261 0.000 2.202 259 K HA 0.388 4.708 4.320 -0.000 0.000 0.264 259 K C 0.363 177.180 176.600 0.362 0.000 1.010 259 K CA -0.224 56.232 56.287 0.282 0.000 0.940 259 K CB 1.456 34.058 32.500 0.170 0.000 0.983 259 K HN 0.793 nan 8.250 nan 0.000 0.475 260 G N -0.025 108.871 108.800 0.160 0.000 2.606 260 G HA2 0.452 4.412 3.960 -0.000 0.000 0.300 260 G HA3 0.452 4.412 3.960 -0.000 0.000 0.300 260 G C -1.442 173.304 174.900 -0.257 0.000 1.360 260 G CA -0.454 44.536 45.100 -0.183 0.000 0.783 260 G HN 0.432 nan 8.290 nan 0.000 0.484 261 S N -0.930 114.543 115.700 -0.379 0.000 2.579 261 S HA 0.732 5.201 4.470 -0.000 0.000 0.272 261 S C -1.037 173.390 174.600 -0.289 0.000 1.141 261 S CA -0.736 57.331 58.200 -0.221 0.000 0.843 261 S CB 2.263 65.411 63.200 -0.087 0.000 1.122 261 S HN 0.590 nan 8.310 nan 0.000 0.468 262 K N 1.309 121.604 120.400 -0.176 0.000 2.469 262 K HA 0.620 4.940 4.320 -0.000 0.000 0.254 262 K C -1.435 175.022 176.600 -0.240 0.000 0.939 262 K CA -0.669 55.447 56.287 -0.285 0.000 0.812 262 K CB 1.839 34.102 32.500 -0.395 0.000 1.301 262 K HN 0.417 nan 8.250 nan 0.000 0.433 263 L N 2.584 123.610 121.223 -0.327 0.000 2.334 263 L HA 0.564 4.904 4.340 -0.000 0.000 0.276 263 L C -1.029 175.585 176.870 -0.427 0.000 1.014 263 L CA -0.997 53.731 54.840 -0.187 0.000 0.815 263 L CB 0.667 42.690 42.059 -0.059 0.000 1.268 263 L HN 0.542 nan 8.230 nan 0.000 0.428 264 Y N 0.655 120.885 120.300 -0.116 0.000 2.576 264 Y HA 0.478 5.028 4.550 -0.000 0.000 0.346 264 Y C -0.786 174.945 175.900 -0.281 0.000 1.018 264 Y CA -0.788 57.214 58.100 -0.165 0.000 1.050 264 Y CB 2.041 40.408 38.460 -0.155 0.000 1.280 264 Y HN 0.344 nan 8.280 nan 0.000 0.474 265 Y N -0.068 120.019 120.300 -0.354 0.000 2.409 265 Y HA 0.548 5.098 4.550 -0.000 0.000 0.343 265 Y C -0.489 174.983 175.900 -0.714 0.000 0.973 265 Y CA -1.162 56.438 58.100 -0.833 0.000 1.064 265 Y CB 1.912 39.629 38.460 -1.238 0.000 1.207 265 Y HN 0.535 nan 8.280 nan 0.000 0.452 266 S N 7.105 121.810 115.700 -1.659 0.000 3.036 266 S HA 0.275 4.745 4.470 -0.000 0.000 0.301 266 S C -0.598 173.204 174.600 -1.330 0.000 1.205 266 S CA -0.329 57.177 58.200 -1.157 0.000 0.999 266 S CB -1.088 61.627 63.200 -0.809 0.000 1.337 266 S HN 0.462 nan 8.310 nan 0.000 0.515 267 F N 2.976 122.289 119.950 -1.062 0.000 2.440 267 F HA 0.244 4.771 4.527 -0.000 0.000 0.323 267 F C -1.004 174.175 175.800 -1.036 0.000 1.192 267 F CA -1.821 55.437 58.000 -1.237 0.000 1.252 267 F CB -0.097 37.607 39.000 -2.160 0.000 1.214 267 F HN 0.314 nan 8.300 nan 0.000 0.578 268 P HA -0.187 nan 4.420 nan 0.000 0.217 268 P C 0.911 178.158 177.300 -0.089 0.000 1.148 268 P CA 1.763 64.748 63.100 -0.193 0.000 0.828 268 P CB -0.186 31.562 31.700 0.079 0.000 0.783 269 W N -1.137 120.134 121.300 -0.049 0.000 3.139 269 W HA 0.512 5.171 4.660 -0.000 0.000 0.260 269 W C 0.461 176.951 176.519 -0.049 0.000 1.312 269 W CA 0.473 57.788 57.345 -0.049 0.000 1.606 269 W CB -0.291 29.129 29.460 -0.067 0.000 1.118 269 W HN 0.023 nan 8.180 nan 0.000 0.675 270 G N 0.497 109.058 108.800 -0.400 0.000 2.369 270 G HA2 0.017 3.977 3.960 -0.000 0.000 0.307 270 G HA3 0.017 3.977 3.960 -0.000 0.000 0.307 270 G C -1.325 173.365 174.900 -0.350 0.000 1.327 270 G CA -1.425 43.516 45.100 -0.266 0.000 0.963 270 G HN 0.035 nan 8.290 nan 0.000 0.590 271 K N 0.632 120.904 120.400 -0.214 0.000 2.270 271 K HA 0.465 4.785 4.320 -0.000 0.000 0.276 271 K C -0.479 176.171 176.600 0.082 0.000 1.023 271 K CA -0.059 56.141 56.287 -0.145 0.000 0.955 271 K CB 0.800 33.165 32.500 -0.225 0.000 0.975 271 K HN 0.398 nan 8.250 nan 0.000 0.471 272 E N 3.372 123.707 120.200 0.225 0.000 2.256 272 E HA 0.250 4.599 4.350 -0.000 0.000 0.268 272 E C -2.590 174.140 176.600 0.217 0.000 0.877 272 E CA -2.267 54.304 56.400 0.286 0.000 0.757 272 E CB 1.908 31.804 29.700 0.327 0.000 1.183 272 E HN 0.366 nan 8.360 nan 0.000 0.418 273 P HA 0.138 nan 4.420 nan 0.000 0.271 273 P C 0.707 177.906 177.300 -0.169 0.000 1.226 273 P CA 0.111 63.007 63.100 -0.340 0.000 0.765 273 P CB 0.407 31.921 31.700 -0.311 0.000 0.835 274 I N -0.093 120.340 120.570 -0.229 0.000 4.139 274 I HA 0.431 4.601 4.170 -0.000 0.000 0.335 274 I C 0.232 176.330 176.117 -0.032 0.000 1.327 274 I CA 0.032 61.252 61.300 -0.133 0.000 1.112 274 I CB 0.422 38.215 38.000 -0.345 0.000 1.058 274 I HN 0.228 nan 8.210 nan 0.000 0.396 275 E N 1.623 121.767 120.200 -0.092 0.000 2.381 275 E HA 0.381 4.731 4.350 -0.000 0.000 0.286 275 E C -1.101 175.436 176.600 -0.105 0.000 0.960 275 E CA -0.527 55.885 56.400 0.021 0.000 0.793 275 E CB 1.820 31.659 29.700 0.232 0.000 1.225 275 E HN 0.277 nan 8.360 nan 0.000 0.420 276 T N 1.210 115.707 114.554 -0.095 0.000 2.861 276 T HA 0.709 5.059 4.350 -0.000 0.000 0.287 276 T C -0.991 173.555 174.700 -0.256 0.000 1.003 276 T CA -0.784 61.169 62.100 -0.245 0.000 0.977 276 T CB 0.866 69.592 68.868 -0.236 0.000 0.996 276 T HN 0.218 nan 8.240 nan 0.000 0.448 277 L N 2.770 123.754 121.223 -0.399 0.000 2.356 277 L HA 0.677 5.017 4.340 -0.000 0.000 0.277 277 L C -0.998 175.645 176.870 -0.378 0.000 0.996 277 L CA -0.407 54.284 54.840 -0.249 0.000 0.822 277 L CB 1.497 43.497 42.059 -0.098 0.000 1.256 277 L HN 0.754 nan 8.230 nan 0.000 0.413 278 W N 1.958 123.277 121.300 0.031 0.000 2.819 278 W HA 0.446 5.106 4.660 0.000 0.000 0.337 278 W C 0.123 176.665 176.519 0.038 0.000 1.077 278 W CA -0.607 56.757 57.345 0.033 0.000 1.226 278 W CB 1.658 31.127 29.460 0.015 0.000 1.419 278 W HN 0.330 nan 8.180 nan 0.000 0.502 279 N N 3.299 122.224 118.700 0.376 0.000 2.678 279 N HA 0.197 4.937 4.740 -0.000 0.000 0.231 279 N C 0.163 175.784 175.510 0.185 0.000 1.038 279 N CA -0.033 53.158 53.050 0.235 0.000 0.932 279 N CB 0.610 39.222 38.487 0.209 0.000 1.176 279 N HN 0.557 nan 8.380 nan 0.000 0.511 280 L N 1.923 123.219 121.223 0.121 0.000 2.395 280 L HA 0.218 4.558 4.340 -0.000 0.000 0.218 280 L C 1.581 178.464 176.870 0.021 0.000 1.130 280 L CA 0.462 55.323 54.840 0.035 0.000 0.826 280 L CB -0.740 41.313 42.059 -0.010 0.000 0.941 280 L HN 0.675 nan 8.230 nan 0.000 0.451 281 G N 1.760 110.584 108.800 0.042 0.000 2.525 281 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.248 281 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.248 281 G C 0.045 174.956 174.900 0.019 0.000 1.238 281 G CA 0.288 45.410 45.100 0.036 0.000 0.926 281 G HN 0.465 nan 8.290 nan 0.000 0.574 282 D N -0.807 119.606 120.400 0.021 0.000 2.433 282 D HA 0.152 4.792 4.640 -0.000 0.000 0.211 282 D C 1.753 178.073 176.300 0.032 0.000 1.114 282 D CA 1.048 55.059 54.000 0.020 0.000 0.837 282 D CB -0.120 40.692 40.800 0.020 0.000 0.984 282 D HN 0.653 nan 8.370 nan 0.000 0.505 283 Q N 0.554 120.369 119.800 0.026 0.000 1.991 283 Q HA -0.318 4.022 4.340 -0.000 0.000 0.213 283 Q C 1.324 177.365 176.000 0.069 0.000 1.022 283 Q CA 2.498 58.321 55.803 0.034 0.000 0.877 283 Q CB 0.038 28.777 28.738 0.001 0.000 0.970 283 Q HN 0.257 nan 8.270 nan 0.000 0.414 284 E N 0.169 120.399 120.200 0.051 0.000 2.118 284 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 284 E C 1.734 178.419 176.600 0.142 0.000 0.992 284 E CA 0.964 57.421 56.400 0.095 0.000 0.804 284 E CB -0.252 29.455 29.700 0.011 0.000 0.741 284 E HN 0.238 nan 8.360 nan 0.000 0.458 285 L N 0.246 121.531 121.223 0.104 0.000 2.046 285 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 285 L C 1.891 178.879 176.870 0.197 0.000 1.077 285 L CA 1.568 56.490 54.840 0.137 0.000 0.747 285 L CB -0.383 41.690 42.059 0.023 0.000 0.896 285 L HN 0.173 nan 8.230 nan 0.000 0.432 286 L N -1.463 119.845 121.223 0.142 0.000 2.046 286 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 286 L C 2.555 179.516 176.870 0.151 0.000 1.077 286 L CA 1.466 56.391 54.840 0.141 0.000 0.747 286 L CB -0.718 41.402 42.059 0.101 0.000 0.896 286 L HN 0.407 nan 8.230 nan 0.000 0.432 287 H N -0.334 118.776 119.070 0.067 0.000 2.489 287 H HA -0.128 4.428 4.556 -0.000 0.000 0.293 287 H C 2.014 177.353 175.328 0.018 0.000 1.066 287 H CA 1.805 57.880 56.048 0.044 0.000 1.305 287 H CB 0.118 29.907 29.762 0.045 0.000 1.386 287 H HN 0.158 nan 8.280 nan 0.000 0.551 288 T N -0.972 113.597 114.554 0.026 0.000 2.978 288 T HA -0.059 4.291 4.350 -0.000 0.000 0.262 288 T C -0.160 174.294 174.700 -0.410 0.000 1.063 288 T CA 0.843 62.828 62.100 -0.192 0.000 1.140 288 T CB -0.021 68.739 68.868 -0.179 0.000 0.886 288 T HN 0.315 nan 8.240 nan 0.000 0.470 289 Y N 2.090 122.385 120.300 -0.008 0.000 2.638 289 Y HA 0.320 4.870 4.550 -0.000 0.000 0.367 289 Y C -2.462 173.426 175.900 -0.021 0.000 1.001 289 Y CA -3.100 54.996 58.100 -0.008 0.000 1.133 289 Y CB 0.371 38.846 38.460 0.026 0.000 1.199 289 Y HN 0.048 nan 8.280 nan 0.000 0.642 290 P HA 0.232 nan 4.420 nan 0.000 0.268 290 P C 0.901 178.223 177.300 0.038 0.000 1.204 290 P CA 1.266 64.376 63.100 0.017 0.000 0.768 290 P CB 1.825 33.494 31.700 -0.052 0.000 0.842 291 G N 3.969 112.792 108.800 0.038 0.000 4.492 291 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.265 291 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.265 291 G C 0.076 174.998 174.900 0.037 0.000 1.702 291 G CA -0.423 44.696 45.100 0.032 0.000 1.266 291 G HN 0.574 nan 8.290 nan 0.000 0.643 292 N N 2.269 120.996 118.700 0.046 0.000 2.892 292 N HA 0.230 4.970 4.740 -0.000 0.000 0.300 292 N C 1.308 176.833 175.510 0.025 0.000 1.211 292 N CA 0.766 53.835 53.050 0.032 0.000 1.158 292 N CB 1.349 39.854 38.487 0.030 0.000 1.455 292 N HN 0.448 nan 8.380 nan 0.000 0.524 293 V N 1.241 121.168 119.914 0.022 0.000 2.626 293 V HA -0.202 3.918 4.120 -0.000 0.000 0.252 293 V C 2.229 178.320 176.094 -0.004 0.000 1.067 293 V CA 1.863 64.172 62.300 0.015 0.000 1.081 293 V CB -0.219 31.616 31.823 0.021 0.000 0.686 293 V HN 0.570 nan 8.190 nan 0.000 0.468 294 S N 0.112 115.808 115.700 -0.007 0.000 2.419 294 S HA -0.181 4.289 4.470 -0.000 0.000 0.233 294 S C 2.028 176.607 174.600 -0.035 0.000 1.016 294 S CA 2.134 60.325 58.200 -0.016 0.000 0.974 294 S CB -0.535 62.658 63.200 -0.013 0.000 0.786 294 S HN 0.915 nan 8.310 nan 0.000 0.492 295 T N -0.029 114.495 114.554 -0.049 0.000 3.088 295 T HA 0.135 4.485 4.350 -0.000 0.000 0.259 295 T C 1.548 176.168 174.700 -0.133 0.000 1.122 295 T CA 0.737 62.784 62.100 -0.088 0.000 1.095 295 T CB -0.619 68.199 68.868 -0.083 0.000 0.930 295 T HN 0.707 nan 8.240 nan 0.000 0.508 296 I N -2.225 118.286 120.570 -0.097 0.000 4.018 296 I HA 0.390 4.559 4.170 -0.000 0.000 0.337 296 I C 0.286 176.455 176.117 0.086 0.000 1.327 296 I CA -0.835 60.453 61.300 -0.019 0.000 1.100 296 I CB -0.160 37.779 38.000 -0.101 0.000 1.025 296 I HN -0.004 nan 8.210 nan 0.000 0.396 297 Q N 2.576 122.389 119.800 0.021 0.000 2.304 297 Q HA 0.505 4.845 4.340 -0.000 0.000 0.260 297 Q C 0.306 176.330 176.000 0.040 0.000 0.965 297 Q CA -0.103 55.722 55.803 0.037 0.000 0.898 297 Q CB 1.705 30.452 28.738 0.014 0.000 1.196 297 Q HN 0.552 nan 8.270 nan 0.000 0.402 298 G N 1.896 110.741 108.800 0.075 0.000 2.552 298 G HA2 0.527 4.487 3.960 -0.000 0.000 0.324 298 G HA3 0.527 4.487 3.960 -0.000 0.000 0.324 298 G C -0.831 174.096 174.900 0.046 0.000 1.217 298 G CA -0.789 44.352 45.100 0.068 0.000 0.989 298 G HN 0.495 nan 8.290 nan 0.000 0.490 299 R N 0.051 120.574 120.500 0.038 0.000 2.312 299 R HA 0.311 4.651 4.340 -0.000 0.000 0.311 299 R C -1.193 175.135 176.300 0.047 0.000 1.004 299 R CA -0.481 55.639 56.100 0.032 0.000 0.902 299 R CB 1.481 31.791 30.300 0.016 0.000 1.073 299 R HN 0.428 nan 8.270 nan 0.000 0.457 300 D N 2.842 123.270 120.400 0.046 0.000 2.456 300 D HA 0.254 4.894 4.640 -0.000 0.000 0.287 300 D C 0.789 177.116 176.300 0.045 0.000 1.186 300 D CA 0.423 54.456 54.000 0.056 0.000 0.916 300 D CB 0.449 41.285 40.800 0.060 0.000 1.029 300 D HN 0.710 nan 8.370 nan 0.000 0.498 301 G N 3.605 112.430 108.800 0.042 0.000 2.559 301 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.282 301 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.282 301 G C 1.065 175.979 174.900 0.024 0.000 1.177 301 G CA 0.022 45.142 45.100 0.032 0.000 0.960 301 G HN 0.448 nan 8.290 nan 0.000 0.540 302 R N 1.318 121.830 120.500 0.021 0.000 2.297 302 R HA 0.117 4.457 4.340 -0.000 0.000 0.197 302 R C 0.674 176.983 176.300 0.016 0.000 0.943 302 R CA 0.659 56.769 56.100 0.016 0.000 1.038 302 R CB 0.049 30.357 30.300 0.013 0.000 0.957 302 R HN 0.498 nan 8.270 nan 0.000 0.484 303 K N 1.194 121.607 120.400 0.022 0.000 2.098 303 K HA 0.228 4.548 4.320 -0.000 0.000 0.261 303 K C -0.183 176.431 176.600 0.024 0.000 0.987 303 K CA -0.557 55.744 56.287 0.023 0.000 0.916 303 K CB 0.943 33.459 32.500 0.028 0.000 1.039 303 K HN -0.181 nan 8.250 nan 0.000 0.455 304 N N 1.821 120.534 118.700 0.020 0.000 2.446 304 N HA 0.310 5.050 4.740 -0.000 0.000 0.265 304 N C -1.204 174.321 175.510 0.025 0.000 0.975 304 N CA -0.395 52.667 53.050 0.020 0.000 0.928 304 N CB 1.795 40.289 38.487 0.011 0.000 1.160 304 N HN 0.407 nan 8.380 nan 0.000 0.495 305 V N -0.629 119.305 119.914 0.034 0.000 2.971 305 V HA 0.537 4.657 4.120 -0.000 0.000 0.309 305 V C -0.169 175.949 176.094 0.040 0.000 1.130 305 V CA -0.932 61.390 62.300 0.036 0.000 0.964 305 V CB 1.642 33.490 31.823 0.042 0.000 1.029 305 V HN 0.155 nan 8.190 nan 0.000 0.427 306 V N 5.438 125.370 119.914 0.030 0.000 2.470 306 V HA 0.312 4.432 4.120 -0.000 0.000 0.276 306 V C -1.547 174.557 176.094 0.018 0.000 1.040 306 V CA -0.747 61.563 62.300 0.017 0.000 1.008 306 V CB 0.817 32.646 31.823 0.009 0.000 0.990 306 V HN 0.965 nan 8.190 nan 0.000 0.477 307 P HA 0.110 nan 4.420 nan 0.000 0.272 307 P C -0.253 177.058 177.300 0.020 0.000 1.230 307 P CA -0.340 62.775 63.100 0.025 0.000 0.788 307 P CB 0.801 32.528 31.700 0.045 0.000 0.949 308 C N 2.421 121.742 119.300 0.034 0.000 2.466 308 C HA 0.412 4.872 4.460 -0.000 0.000 0.379 308 C C 0.011 174.994 174.990 -0.012 0.000 1.251 308 C CA -0.199 58.840 59.018 0.034 0.000 2.263 308 C CB -0.362 27.422 27.740 0.075 0.000 2.511 308 C HN 0.350 nan 8.230 nan 0.000 0.573 309 V N 7.223 127.110 119.914 -0.045 0.000 2.398 309 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 309 V C -0.022 176.020 176.094 -0.086 0.000 1.026 309 V CA -0.322 61.868 62.300 -0.182 0.000 0.868 309 V CB 1.317 33.022 31.823 -0.198 0.000 0.982 309 V HN 0.750 nan 8.190 nan 0.000 0.443 310 L N 3.428 124.591 121.223 -0.100 0.000 2.322 310 L HA 0.579 4.919 4.340 -0.000 0.000 0.281 310 L C 0.075 176.911 176.870 -0.056 0.000 1.014 310 L CA -0.205 54.655 54.840 0.034 0.000 0.815 310 L CB 1.988 44.156 42.059 0.182 0.000 1.247 310 L HN 0.628 nan 8.230 nan 0.000 0.421 311 S N 2.338 118.052 115.700 0.023 0.000 2.474 311 S HA 0.586 5.056 4.470 -0.000 0.000 0.321 311 S C -0.650 173.950 174.600 0.001 0.000 1.080 311 S CA -0.470 57.736 58.200 0.010 0.000 1.106 311 S CB 1.005 64.269 63.200 0.108 0.000 0.984 311 S HN 0.307 nan 8.310 nan 0.000 0.464 312 V N 5.339 125.206 119.914 -0.078 0.000 2.325 312 V HA 0.474 4.594 4.120 -0.000 0.000 0.280 312 V C -0.529 175.562 176.094 -0.006 0.000 1.016 312 V CA -0.629 61.620 62.300 -0.086 0.000 0.818 312 V CB 1.139 32.808 31.823 -0.256 0.000 1.019 312 V HN 0.867 nan 8.190 nan 0.000 0.434 313 S N 3.043 118.760 115.700 0.029 0.000 2.519 313 S HA 0.811 5.281 4.470 -0.000 0.000 0.309 313 S C 0.294 174.940 174.600 0.076 0.000 1.100 313 S CA -0.639 57.589 58.200 0.046 0.000 1.059 313 S CB 1.938 65.171 63.200 0.056 0.000 1.008 313 S HN 0.908 nan 8.310 nan 0.000 0.478 314 G N 0.575 109.419 108.800 0.074 0.000 2.420 314 G HA2 0.515 4.475 3.960 -0.000 0.000 0.331 314 G HA3 0.515 4.475 3.960 -0.000 0.000 0.331 314 G C -1.371 173.601 174.900 0.121 0.000 1.168 314 G CA -0.527 44.684 45.100 0.186 0.000 0.936 314 G HN 0.575 nan 8.290 nan 0.000 0.479 315 D N 2.005 122.527 120.400 0.203 0.000 2.428 315 D HA 0.164 4.803 4.640 -0.000 0.000 0.221 315 D C 1.490 177.944 176.300 0.257 0.000 1.123 315 D CA -0.498 53.595 54.000 0.156 0.000 0.869 315 D CB 1.495 42.365 40.800 0.116 0.000 1.032 315 D HN -0.023 nan 8.370 nan 0.000 0.506 316 V N 3.517 123.533 119.914 0.170 0.000 2.626 316 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 316 V C 1.643 177.879 176.094 0.236 0.000 1.067 316 V CA 1.315 63.734 62.300 0.198 0.000 1.081 316 V CB -0.195 31.649 31.823 0.034 0.000 0.686 316 V HN 0.472 nan 8.190 nan 0.000 0.468 317 D N -0.091 120.452 120.400 0.238 0.000 2.091 317 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 317 D C 1.962 178.503 176.300 0.402 0.000 0.980 317 D CA 0.848 55.072 54.000 0.373 0.000 0.831 317 D CB -0.260 40.734 40.800 0.323 0.000 0.987 317 D HN 0.300 nan 8.370 nan 0.000 0.460 318 L N 1.104 122.501 121.223 0.290 0.000 2.083 318 L HA 0.020 4.360 4.340 -0.000 0.000 0.209 318 L C 2.181 179.250 176.870 0.332 0.000 1.083 318 L CA 1.660 56.678 54.840 0.296 0.000 0.752 318 L CB -0.948 41.238 42.059 0.212 0.000 0.899 318 L HN 0.064 nan 8.230 nan 0.000 0.433 319 G N -2.353 106.652 108.800 0.342 0.000 2.422 319 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 319 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 319 G C 1.465 176.604 174.900 0.397 0.000 1.140 319 G CA 1.118 46.464 45.100 0.409 0.000 0.775 319 G HN 0.406 nan 8.290 nan 0.000 0.545 320 T N 1.207 115.980 114.554 0.365 0.000 2.777 320 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 320 T C 2.408 177.292 174.700 0.307 0.000 1.040 320 T CA 0.636 62.895 62.100 0.265 0.000 1.141 320 T CB -0.162 68.676 68.868 -0.050 0.000 0.868 320 T HN 0.140 nan 8.240 nan 0.000 0.444 321 L N 0.727 122.200 121.223 0.417 0.000 2.083 321 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 321 L C 3.020 180.155 176.870 0.442 0.000 1.083 321 L CA 1.077 56.214 54.840 0.495 0.000 0.752 321 L CB -0.652 41.742 42.059 0.559 0.000 0.899 321 L HN 0.246 nan 8.230 nan 0.000 0.433 322 A N -0.508 122.387 122.820 0.126 0.000 1.883 322 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 322 A C 2.003 179.186 177.584 -0.669 0.000 1.186 322 A CA 1.618 53.182 52.037 -0.788 0.000 0.624 322 A CB -0.856 17.439 19.000 -1.176 0.000 0.822 322 A HN 0.367 nan 8.150 nan 0.000 0.444 323 Y N -0.120 120.122 120.300 -0.096 0.000 2.352 323 Y HA -0.025 4.525 4.550 -0.000 0.000 0.292 323 Y C 2.137 178.028 175.900 -0.015 0.000 1.136 323 Y CA 0.916 59.011 58.100 -0.008 0.000 1.227 323 Y CB -0.418 38.065 38.460 0.038 0.000 0.991 323 Y HN 0.188 nan 8.280 nan 0.000 0.545 324 L N -1.956 119.337 121.223 0.117 0.000 2.027 324 L HA -0.256 4.083 4.340 -0.000 0.000 0.206 324 L C 1.994 178.857 176.870 -0.012 0.000 1.074 324 L CA 1.485 56.305 54.840 -0.033 0.000 0.745 324 L CB -0.708 41.297 42.059 -0.089 0.000 0.898 324 L HN 0.179 nan 8.230 nan 0.000 0.433 325 Y N -0.077 120.242 120.300 0.032 0.000 2.181 325 Y HA -0.303 4.247 4.550 -0.000 0.000 0.288 325 Y C 2.396 178.377 175.900 0.135 0.000 1.146 325 Y CA 1.893 60.048 58.100 0.093 0.000 1.164 325 Y CB -0.299 38.253 38.460 0.154 0.000 0.982 325 Y HN 0.280 nan 8.280 nan 0.000 0.515 326 D N -0.767 119.765 120.400 0.221 0.000 2.219 326 D HA -0.152 4.488 4.640 -0.000 0.000 0.205 326 D C 2.059 178.488 176.300 0.215 0.000 0.970 326 D CA 1.354 55.491 54.000 0.228 0.000 0.851 326 D CB -0.082 40.832 40.800 0.191 0.000 0.943 326 D HN 0.280 nan 8.370 nan 0.000 0.488 327 S N -0.947 114.866 115.700 0.188 0.000 2.470 327 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 327 S C 0.734 175.425 174.600 0.152 0.000 1.006 327 S CA -0.565 57.721 58.200 0.143 0.000 0.934 327 S CB -0.588 62.660 63.200 0.081 0.000 0.778 327 S HN 0.198 nan 8.310 nan 0.000 0.517 328 F N 3.852 123.806 119.950 0.007 0.000 2.590 328 F HA 0.275 4.802 4.527 -0.000 0.000 0.389 328 F C 0.339 176.150 175.800 0.018 0.000 1.049 328 F CA -0.215 57.782 58.000 -0.006 0.000 1.199 328 F CB 0.036 39.029 39.000 -0.011 0.000 1.058 328 F HN 0.270 nan 8.300 nan 0.000 0.556 329 Q N 6.673 126.183 119.800 -0.483 0.000 2.271 329 Q HA 0.253 4.593 4.340 -0.000 0.000 0.268 329 Q C -1.009 174.677 176.000 -0.523 0.000 1.021 329 Q CA -1.043 54.512 55.803 -0.412 0.000 0.802 329 Q CB 2.426 31.062 28.738 -0.170 0.000 1.282 329 Q HN 0.531 nan 8.270 nan 0.000 0.431 330 L N 2.244 123.190 121.223 -0.461 0.000 2.727 330 L HA 0.292 4.632 4.340 -0.000 0.000 0.237 330 L C -0.007 176.758 176.870 -0.175 0.000 1.370 330 L CA 0.317 54.965 54.840 -0.320 0.000 1.248 330 L CB -0.173 41.750 42.059 -0.227 0.000 1.556 330 L HN 0.623 nan 8.230 nan 0.000 0.420 331 A N 0.040 122.765 122.820 -0.159 0.000 2.294 331 A HA 0.970 5.290 4.320 -0.000 0.000 0.330 331 A C 0.219 177.765 177.584 -0.065 0.000 1.133 331 A CA 0.419 52.400 52.037 -0.093 0.000 0.836 331 A CB 0.949 19.901 19.000 -0.081 0.000 1.190 331 A HN 0.392 nan 8.150 nan 0.000 0.492 344 K N 1.587 121.984 120.400 -0.005 0.000 2.156 344 K HA 0.691 5.011 4.320 -0.000 0.000 0.250 344 K C -0.919 175.675 176.600 -0.010 0.000 0.955 344 K CA -0.837 55.420 56.287 -0.048 0.000 0.855 344 K CB 2.632 35.200 32.500 0.115 0.000 1.101 344 K HN 0.151 nan 8.250 nan 0.000 0.434 345 V N 2.925 122.802 119.914 -0.061 0.000 2.888 345 V HA 0.451 4.571 4.120 -0.000 0.000 0.309 345 V C -1.858 174.248 176.094 0.020 0.000 1.114 345 V CA -0.902 61.396 62.300 -0.003 0.000 0.940 345 V CB 1.586 33.392 31.823 -0.029 0.000 1.021 345 V HN 0.634 nan 8.190 nan 0.000 0.426 346 L N 6.109 127.366 121.223 0.056 0.000 2.262 346 L HA 0.556 4.896 4.340 -0.000 0.000 0.288 346 L C 0.327 177.212 176.870 0.025 0.000 1.035 346 L CA -0.433 54.434 54.840 0.046 0.000 0.820 346 L CB 1.443 43.491 42.059 -0.018 0.000 1.204 346 L HN 0.616 nan 8.230 nan 0.000 0.424 347 K N 5.017 125.433 120.400 0.026 0.000 2.997 347 K HA 0.347 4.667 4.320 -0.000 0.000 0.249 347 K C -0.291 176.333 176.600 0.040 0.000 1.284 347 K CA -0.332 55.967 56.287 0.019 0.000 1.245 347 K CB 0.193 32.702 32.500 0.014 0.000 1.670 347 K HN 0.523 nan 8.250 nan 0.000 0.385 348 L N 1.596 122.840 121.223 0.034 0.000 2.456 348 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 348 L C 1.228 178.125 176.870 0.046 0.000 1.189 348 L CA -0.155 54.710 54.840 0.042 0.000 0.846 348 L CB 0.080 42.152 42.059 0.020 0.000 1.111 348 L HN 0.414 nan 8.230 nan 0.000 0.475 349 H N 5.028 124.079 119.070 -0.032 0.000 3.038 349 H HA -0.034 4.522 4.556 -0.000 0.000 0.338 349 H C -1.753 173.564 175.328 -0.017 0.000 1.041 349 H CA -0.907 55.137 56.048 -0.007 0.000 1.394 349 H CB 1.314 31.100 29.762 0.039 0.000 1.357 349 H HN 0.371 nan 8.280 nan 0.000 0.600 350 P HA -0.144 nan 4.420 nan 0.000 0.217 350 P C 1.385 178.735 177.300 0.083 0.000 1.148 350 P CA 1.264 64.324 63.100 -0.067 0.000 0.828 350 P CB 0.049 31.667 31.700 -0.136 0.000 0.783 351 C N -1.978 117.501 119.300 0.298 0.000 2.468 351 C HA 0.075 4.535 4.460 -0.000 0.000 0.277 351 C C 2.503 177.479 174.990 -0.023 0.000 1.400 351 C CA 0.487 59.610 59.018 0.175 0.000 1.770 351 C CB -1.583 26.305 27.740 0.247 0.000 1.905 351 C HN 0.206 nan 8.230 nan 0.000 0.519 352 L N 0.204 121.386 121.223 -0.068 0.000 2.425 352 L HA 0.222 4.562 4.340 -0.000 0.000 0.215 352 L C 1.615 178.451 176.870 -0.057 0.000 1.065 352 L CA 0.116 54.841 54.840 -0.191 0.000 0.842 352 L CB -0.849 40.978 42.059 -0.387 0.000 1.033 352 L HN 0.114 nan 8.230 nan 0.000 0.474 353 A N 2.242 125.065 122.820 0.005 0.000 2.573 353 A HA 0.026 4.346 4.320 -0.000 0.000 0.250 353 A C -1.241 176.379 177.584 0.060 0.000 1.049 353 A CA -0.673 51.400 52.037 0.059 0.000 0.767 353 A CB -0.334 18.696 19.000 0.050 0.000 0.965 353 A HN 0.095 nan 8.150 nan 0.000 0.514 354 P HA -0.060 nan 4.420 nan 0.000 0.217 354 P C 0.236 177.556 177.300 0.034 0.000 1.150 354 P CA 1.203 64.329 63.100 0.043 0.000 0.832 354 P CB 0.090 31.798 31.700 0.014 0.000 0.787 355 I N 0.275 120.866 120.570 0.035 0.000 2.355 355 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 355 I C 1.401 177.544 176.117 0.044 0.000 0.999 355 I CA -0.769 60.556 61.300 0.042 0.000 1.163 355 I CB 1.944 39.955 38.000 0.019 0.000 1.316 355 I HN -0.267 nan 8.210 nan 0.000 0.454 356 K N 4.590 125.030 120.400 0.068 0.000 2.137 356 K HA 0.219 4.538 4.320 -0.000 0.000 0.202 356 K C 0.280 176.949 176.600 0.114 0.000 1.052 356 K CA 0.879 57.223 56.287 0.094 0.000 0.961 356 K CB 0.336 32.908 32.500 0.119 0.000 0.741 356 K HN 0.368 nan 8.250 nan 0.000 0.452 357 V N 0.352 120.322 119.914 0.093 0.000 2.971 357 V HA 0.566 4.685 4.120 -0.000 0.000 0.309 357 V C -1.210 174.904 176.094 0.035 0.000 1.130 357 V CA -1.327 61.028 62.300 0.091 0.000 0.964 357 V CB 1.982 33.877 31.823 0.119 0.000 1.029 357 V HN 0.199 nan 8.190 nan 0.000 0.427 358 A N 4.254 127.043 122.820 -0.052 0.000 2.355 358 A HA 0.951 5.271 4.320 -0.000 0.000 0.317 358 A C -1.194 176.423 177.584 0.055 0.000 1.094 358 A CA -0.546 51.431 52.037 -0.101 0.000 0.764 358 A CB 1.148 19.672 19.000 -0.793 0.000 1.230 358 A HN 0.776 nan 8.150 nan 0.000 0.448 359 L N 2.460 123.792 121.223 0.181 0.000 2.333 359 L HA 0.546 4.886 4.340 -0.000 0.000 0.280 359 L C -0.868 176.218 176.870 0.360 0.000 1.004 359 L CA -0.550 54.440 54.840 0.249 0.000 0.820 359 L CB 1.830 44.054 42.059 0.276 0.000 1.247 359 L HN 0.695 nan 8.230 nan 0.000 0.416 360 D N 1.521 122.096 120.400 0.291 0.000 2.552 360 D HA 0.533 5.173 4.640 -0.000 0.000 0.239 360 D C -1.040 175.374 176.300 0.189 0.000 1.139 360 D CA -0.285 53.888 54.000 0.288 0.000 0.914 360 D CB 3.534 44.509 40.800 0.290 0.000 1.461 360 D HN 0.256 nan 8.370 nan 0.000 0.462 361 V N -1.625 118.392 119.914 0.172 0.000 2.581 361 V HA 0.886 5.006 4.120 -0.000 0.000 0.303 361 V C 0.429 176.585 176.094 0.102 0.000 1.041 361 V CA -0.410 61.954 62.300 0.107 0.000 0.907 361 V CB 1.324 33.203 31.823 0.093 0.000 0.994 361 V HN 0.598 nan 8.190 nan 0.000 0.442 362 G N 2.753 111.599 108.800 0.077 0.000 2.583 362 G HA2 0.402 4.362 3.960 -0.000 0.000 0.280 362 G HA3 0.402 4.362 3.960 -0.000 0.000 0.280 362 G C -0.281 174.662 174.900 0.071 0.000 1.376 362 G CA -1.208 43.939 45.100 0.077 0.000 1.043 362 G HN 0.857 nan 8.290 nan 0.000 0.538 363 K N 0.095 120.533 120.400 0.062 0.000 2.436 363 K HA 0.473 4.793 4.320 -0.000 0.000 0.275 363 K C 0.375 176.993 176.600 0.030 0.000 0.999 363 K CA 0.779 57.092 56.287 0.044 0.000 0.980 363 K CB 0.552 33.071 32.500 0.031 0.000 0.919 363 K HN 0.997 nan 8.250 nan 0.000 0.484 364 G N 2.302 111.116 108.800 0.024 0.000 2.350 364 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.282 364 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.282 364 G C -3.031 171.877 174.900 0.014 0.000 1.314 364 G CA -1.061 44.049 45.100 0.016 0.000 0.915 364 G HN 0.411 nan 8.290 nan 0.000 0.499 365 P HA 0.242 nan 4.420 nan 0.000 0.268 365 P C 1.181 178.487 177.300 0.011 0.000 1.282 365 P CA 0.380 63.484 63.100 0.008 0.000 0.880 365 P CB 0.614 32.316 31.700 0.002 0.000 0.971 366 T N 2.488 117.054 114.554 0.019 0.000 2.564 366 T HA -0.181 4.168 4.350 -0.000 0.000 0.264 366 T C 1.824 176.537 174.700 0.022 0.000 1.100 366 T CA 2.114 64.231 62.100 0.029 0.000 1.171 366 T CB -0.643 68.246 68.868 0.034 0.000 0.863 366 T HN 0.122 nan 8.240 nan 0.000 0.430 367 V N 1.197 121.121 119.914 0.015 0.000 2.392 367 V HA -0.197 3.922 4.120 -0.000 0.000 0.249 367 V C 2.455 178.546 176.094 -0.006 0.000 1.059 367 V CA 1.890 64.195 62.300 0.009 0.000 1.051 367 V CB -0.696 31.132 31.823 0.007 0.000 0.658 367 V HN 0.530 nan 8.190 nan 0.000 0.455 368 E N -0.048 120.147 120.200 -0.009 0.000 2.046 368 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 368 E C 2.250 178.828 176.600 -0.037 0.000 0.982 368 E CA 1.091 57.479 56.400 -0.020 0.000 0.800 368 E CB -0.176 29.516 29.700 -0.014 0.000 0.756 368 E HN 0.502 nan 8.360 nan 0.000 0.449 369 L N 0.436 121.641 121.223 -0.030 0.000 2.017 369 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 369 L C 2.594 179.402 176.870 -0.103 0.000 1.073 369 L CA 1.216 56.027 54.840 -0.049 0.000 0.745 369 L CB -0.359 41.691 42.059 -0.015 0.000 0.894 369 L HN 0.049 nan 8.230 nan 0.000 0.432 370 R N -0.400 120.054 120.500 -0.077 0.000 2.096 370 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 370 R C 2.342 178.519 176.300 -0.205 0.000 1.127 370 R CA 1.300 57.317 56.100 -0.139 0.000 0.968 370 R CB -0.245 30.076 30.300 0.035 0.000 0.861 370 R HN 0.454 nan 8.270 nan 0.000 0.440 371 Q N -0.052 119.683 119.800 -0.109 0.000 2.124 371 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 371 Q C 2.068 177.991 176.000 -0.129 0.000 0.977 371 Q CA 1.334 57.082 55.803 -0.092 0.000 0.850 371 Q CB 0.167 28.873 28.738 -0.052 0.000 0.901 371 Q HN 0.180 nan 8.270 nan 0.000 0.429 372 V N -0.599 119.229 119.914 -0.144 0.000 2.379 372 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 372 V C 2.220 178.187 176.094 -0.212 0.000 1.044 372 V CA 1.320 63.534 62.300 -0.143 0.000 1.036 372 V CB -0.347 31.405 31.823 -0.118 0.000 0.664 372 V HN 0.520 nan 8.190 nan 0.000 0.453 373 C N -0.844 118.239 119.300 -0.363 0.000 2.425 373 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 373 C C 2.852 177.547 174.990 -0.491 0.000 1.280 373 C CA 0.650 59.323 59.018 -0.575 0.000 1.744 373 C CB -0.946 26.039 27.740 -1.260 0.000 1.989 373 C HN 0.538 nan 8.230 nan 0.000 0.491 374 Q N 0.513 120.069 119.800 -0.406 0.000 2.050 374 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 374 Q C 2.497 178.456 176.000 -0.069 0.000 0.980 374 Q CA 2.223 57.947 55.803 -0.131 0.000 0.840 374 Q CB -0.999 27.706 28.738 -0.055 0.000 0.898 374 Q HN 0.740 nan 8.270 nan 0.000 0.424 375 G N 0.871 109.619 108.800 -0.085 0.000 2.418 375 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 375 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 375 G C 1.430 176.305 174.900 -0.042 0.000 1.158 375 G CA 0.750 45.820 45.100 -0.051 0.000 0.771 375 G HN 0.314 nan 8.290 nan 0.000 0.545 376 L N 0.354 121.538 121.223 -0.064 0.000 2.056 376 L HA 0.151 4.491 4.340 -0.000 0.000 0.207 376 L C 2.602 179.469 176.870 -0.006 0.000 1.078 376 L CA 1.496 56.312 54.840 -0.041 0.000 0.749 376 L CB -0.793 41.230 42.059 -0.061 0.000 0.901 376 L HN 0.258 nan 8.230 nan 0.000 0.433 377 L N -0.356 120.872 121.223 0.008 0.000 2.017 377 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 377 L C 2.199 179.091 176.870 0.037 0.000 1.073 377 L CA 1.656 56.530 54.840 0.056 0.000 0.745 377 L CB -0.629 41.507 42.059 0.129 0.000 0.894 377 L HN 0.318 nan 8.230 nan 0.000 0.432 378 N N -0.045 118.669 118.700 0.024 0.000 2.149 378 N HA -0.253 4.487 4.740 -0.000 0.000 0.188 378 N C 1.747 177.265 175.510 0.015 0.000 1.019 378 N CA 1.610 54.670 53.050 0.017 0.000 0.857 378 N CB -0.251 38.242 38.487 0.010 0.000 0.997 378 N HN 0.542 nan 8.380 nan 0.000 0.426 379 E N 0.524 120.730 120.200 0.010 0.000 2.077 379 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 379 E C 1.889 178.500 176.600 0.018 0.000 0.989 379 E CA 0.704 57.111 56.400 0.011 0.000 0.800 379 E CB 0.026 29.730 29.700 0.006 0.000 0.746 379 E HN 0.264 nan 8.360 nan 0.000 0.452 380 L N 0.486 121.723 121.223 0.022 0.000 2.044 380 L HA -0.161 4.179 4.340 -0.000 0.000 0.205 380 L C 2.595 179.483 176.870 0.030 0.000 1.075 380 L CA 0.718 55.576 54.840 0.029 0.000 0.747 380 L CB -0.429 41.652 42.059 0.037 0.000 0.903 380 L HN 0.221 nan 8.230 nan 0.000 0.435 381 L N -0.267 120.974 121.223 0.030 0.000 2.079 381 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 381 L C 2.521 179.405 176.870 0.022 0.000 1.081 381 L CA 1.394 56.250 54.840 0.026 0.000 0.752 381 L CB -0.571 41.502 42.059 0.023 0.000 0.896 381 L HN 0.357 nan 8.230 nan 0.000 0.433 382 E N -0.062 120.150 120.200 0.020 0.000 2.265 382 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 382 E C 1.203 177.815 176.600 0.020 0.000 0.996 382 E CA 0.592 57.002 56.400 0.018 0.000 0.832 382 E CB -0.021 29.689 29.700 0.015 0.000 0.756 382 E HN 0.543 nan 8.360 nan 0.000 0.491 383 N N -0.335 118.379 118.700 0.022 0.000 2.268 383 N HA 0.013 4.752 4.740 -0.000 0.000 0.204 383 N C 0.728 176.255 175.510 0.028 0.000 1.124 383 N CA 0.524 53.588 53.050 0.024 0.000 0.838 383 N CB 1.238 39.739 38.487 0.024 0.000 0.994 383 N HN 0.179 nan 8.380 nan 0.000 0.489 384 G N 1.515 110.332 108.800 0.027 0.000 2.168 384 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 384 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 384 G C 0.170 175.091 174.900 0.035 0.000 0.977 384 G CA -0.040 45.077 45.100 0.029 0.000 0.659 384 G HN 0.341 nan 8.290 nan 0.000 0.533 385 I N 2.374 122.967 120.570 0.038 0.000 2.416 385 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 385 I C 1.201 177.349 176.117 0.051 0.000 1.051 385 I CA -0.009 61.320 61.300 0.048 0.000 1.375 385 I CB 1.234 39.264 38.000 0.050 0.000 1.407 385 I HN 0.322 nan 8.210 nan 0.000 0.516 386 S N 6.154 121.889 115.700 0.057 0.000 2.548 386 S HA 0.528 4.998 4.470 -0.000 0.000 0.277 386 S C -0.383 174.265 174.600 0.079 0.000 1.315 386 S CA -0.776 57.461 58.200 0.062 0.000 1.050 386 S CB 1.260 64.496 63.200 0.061 0.000 0.918 386 S HN 0.343 nan 8.310 nan 0.000 0.497 387 V N 3.594 123.558 119.914 0.084 0.000 2.709 387 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 387 V C -0.738 175.436 176.094 0.134 0.000 1.062 387 V CA -0.872 61.489 62.300 0.103 0.000 0.901 387 V CB 1.912 33.785 31.823 0.084 0.000 1.003 387 V HN 1.039 nan 8.190 nan 0.000 0.425 388 W N 7.548 128.818 121.300 -0.050 0.000 2.316 388 W HA 0.415 5.075 4.660 -0.000 0.000 0.308 388 W C -2.490 173.998 176.519 -0.053 0.000 1.106 388 W CA -2.406 54.900 57.345 -0.065 0.000 1.262 388 W CB 2.237 31.633 29.460 -0.106 0.000 1.233 388 W HN 0.404 nan 8.180 nan 0.000 0.447 389 P HA 0.120 nan 4.420 nan 0.000 0.225 389 P C 1.043 177.848 177.300 -0.824 0.000 1.813 389 P CA 0.161 62.847 63.100 -0.691 0.000 1.013 389 P CB 0.112 31.342 31.700 -0.784 0.000 1.961 390 G N 1.821 110.441 108.800 -0.299 0.000 2.450 390 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.220 390 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.220 390 G C 1.126 176.005 174.900 -0.035 0.000 1.130 390 G CA 0.458 45.575 45.100 0.028 0.000 0.760 390 G HN 0.430 nan 8.290 nan 0.000 0.557 391 Y N -0.042 120.279 120.300 0.036 0.000 2.465 391 Y HA 0.116 4.665 4.550 -0.000 0.000 0.289 391 Y C 2.557 178.453 175.900 -0.007 0.000 1.150 391 Y CA 0.714 58.829 58.100 0.026 0.000 1.293 391 Y CB -0.616 37.855 38.460 0.018 0.000 0.977 391 Y HN 0.112 nan 8.280 nan 0.000 0.556 392 S N -0.387 115.003 115.700 -0.516 0.000 2.428 392 S HA -0.093 4.377 4.470 -0.000 0.000 0.230 392 S C 0.688 175.202 174.600 -0.144 0.000 1.014 392 S CA 0.361 58.354 58.200 -0.344 0.000 0.957 392 S CB -0.388 62.500 63.200 -0.520 0.000 0.784 392 S HN 0.483 nan 8.310 nan 0.000 0.499 393 E N 0.974 121.109 120.200 -0.107 0.000 2.414 393 E HA 0.075 4.424 4.350 -0.000 0.000 0.263 393 E C 0.901 177.511 176.600 0.016 0.000 1.000 393 E CA 0.506 56.890 56.400 -0.026 0.000 0.914 393 E CB 0.730 30.444 29.700 0.024 0.000 0.948 393 E HN -0.035 nan 8.360 nan 0.000 0.444 394 T N 2.583 117.149 114.554 0.019 0.000 2.976 394 T HA 0.083 4.432 4.350 -0.000 0.000 0.257 394 T C 0.139 174.873 174.700 0.057 0.000 1.051 394 T CA 0.306 62.427 62.100 0.035 0.000 1.141 394 T CB 0.293 69.174 68.868 0.023 0.000 0.881 394 T HN 0.271 nan 8.240 nan 0.000 0.461 395 V N 2.293 122.239 119.914 0.053 0.000 2.715 395 V HA 0.203 4.323 4.120 -0.000 0.000 0.299 395 V C 0.073 176.224 176.094 0.094 0.000 1.054 395 V CA -0.555 61.787 62.300 0.070 0.000 1.077 395 V CB 0.617 32.471 31.823 0.050 0.000 0.972 395 V HN 0.489 nan 8.190 nan 0.000 0.484 396 H N 2.738 121.818 119.070 0.018 0.000 2.472 396 H HA 0.656 5.212 4.556 -0.000 0.000 0.335 396 H C -0.295 175.037 175.328 0.006 0.000 1.136 396 H CA -0.108 55.949 56.048 0.016 0.000 1.264 396 H CB 1.244 31.013 29.762 0.013 0.000 1.486 396 H HN 0.761 nan 8.280 nan 0.000 0.517 397 S N 2.106 117.356 115.700 -0.751 0.000 2.546 397 S HA 0.307 4.777 4.470 -0.000 0.000 0.274 397 S C -0.758 173.456 174.600 -0.644 0.000 1.121 397 S CA -0.778 57.133 58.200 -0.482 0.000 0.887 397 S CB 1.349 64.399 63.200 -0.249 0.000 1.094 397 S HN 0.907 nan 8.310 nan 0.000 0.474 398 S N 1.013 116.535 115.700 -0.296 0.000 2.596 398 S HA 0.257 4.727 4.470 -0.000 0.000 0.260 398 S C 1.011 175.477 174.600 -0.223 0.000 1.336 398 S CA -0.561 57.537 58.200 -0.170 0.000 0.993 398 S CB 0.082 63.245 63.200 -0.062 0.000 0.923 398 S HN 0.573 nan 8.310 nan 0.000 0.567 399 L N 1.118 122.225 121.223 -0.195 0.000 2.093 399 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 399 L C 2.401 178.997 176.870 -0.456 0.000 1.085 399 L CA 1.853 56.489 54.840 -0.340 0.000 0.755 399 L CB -1.047 40.860 42.059 -0.254 0.000 0.904 399 L HN 0.845 nan 8.230 nan 0.000 0.435 400 E N -0.883 119.180 120.200 -0.229 0.000 2.077 400 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 400 E C 2.168 178.687 176.600 -0.134 0.000 0.989 400 E CA 1.358 57.678 56.400 -0.133 0.000 0.800 400 E CB -0.303 29.365 29.700 -0.054 0.000 0.746 400 E HN 0.549 nan 8.360 nan 0.000 0.452 401 Q N -0.147 119.561 119.800 -0.153 0.000 2.124 401 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 401 Q C 2.033 177.900 176.000 -0.222 0.000 0.977 401 Q CA 0.818 56.532 55.803 -0.148 0.000 0.850 401 Q CB -0.122 28.533 28.738 -0.139 0.000 0.901 401 Q HN 0.177 nan 8.270 nan 0.000 0.429 402 L N 0.091 121.125 121.223 -0.315 0.000 1.976 402 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 402 L C 1.999 178.590 176.870 -0.464 0.000 1.071 402 L CA 1.986 56.532 54.840 -0.491 0.000 0.746 402 L CB -0.786 41.028 42.059 -0.410 0.000 0.890 402 L HN 0.299 nan 8.230 nan 0.000 0.432 403 H N -2.300 116.651 119.070 -0.198 0.000 2.422 403 H HA -0.123 4.432 4.556 -0.000 0.000 0.298 403 H C 2.329 177.626 175.328 -0.051 0.000 1.098 403 H CA 0.902 56.924 56.048 -0.044 0.000 1.315 403 H CB 0.127 29.901 29.762 0.020 0.000 1.382 403 H HN 0.299 nan 8.280 nan 0.000 0.523 404 S N 0.209 115.924 115.700 0.024 0.000 2.355 404 S HA -0.146 4.324 4.470 -0.000 0.000 0.222 404 S C 2.051 176.639 174.600 -0.019 0.000 1.031 404 S CA 1.108 59.312 58.200 0.005 0.000 0.993 404 S CB -0.013 63.175 63.200 -0.020 0.000 0.859 404 S HN 0.381 nan 8.310 nan 0.000 0.453 405 K N -0.142 120.190 120.400 -0.113 0.000 2.026 405 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 405 K C 1.751 178.331 176.600 -0.033 0.000 1.048 405 K CA 1.453 57.662 56.287 -0.129 0.000 0.929 405 K CB -0.307 32.036 32.500 -0.262 0.000 0.713 405 K HN 0.284 nan 8.250 nan 0.000 0.439 406 Y N 1.807 122.091 120.300 -0.027 0.000 2.274 406 Y HA -0.163 4.387 4.550 -0.000 0.000 0.290 406 Y C 1.926 177.814 175.900 -0.021 0.000 1.145 406 Y CA 0.997 59.069 58.100 -0.047 0.000 1.203 406 Y CB -0.575 37.892 38.460 0.012 0.000 0.984 406 Y HN 0.229 nan 8.280 nan 0.000 0.533 407 D N -0.249 120.241 120.400 0.151 0.000 2.149 407 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 407 D C 1.912 178.267 176.300 0.091 0.000 0.972 407 D CA 1.037 55.088 54.000 0.086 0.000 0.835 407 D CB -0.153 40.678 40.800 0.052 0.000 0.966 407 D HN 0.450 nan 8.370 nan 0.000 0.476 408 E N -0.307 119.951 120.200 0.097 0.000 2.204 408 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 408 E C 1.741 178.467 176.600 0.211 0.000 0.989 408 E CA 0.518 56.993 56.400 0.126 0.000 0.824 408 E CB 0.003 29.761 29.700 0.096 0.000 0.756 408 E HN 0.304 nan 8.360 nan 0.000 0.477 409 M N -0.420 119.285 119.600 0.176 0.000 2.561 409 M HA 0.041 4.521 4.480 -0.000 0.000 0.238 409 M C 0.969 177.426 176.300 0.260 0.000 1.131 409 M CA 0.108 55.527 55.300 0.197 0.000 1.046 409 M CB 0.583 33.153 32.600 -0.049 0.000 1.532 409 M HN -0.119 nan 8.290 nan 0.000 0.497 410 S N 0.082 115.895 115.700 0.189 0.000 3.361 410 S HA -0.106 4.364 4.470 -0.000 0.000 0.288 410 S C 0.121 174.753 174.600 0.054 0.000 1.269 410 S CA -0.022 58.254 58.200 0.128 0.000 0.976 410 S CB -1.455 61.862 63.200 0.195 0.000 1.162 410 S HN 0.295 nan 8.310 nan 0.000 0.643 411 V N 3.290 123.218 119.914 0.023 0.000 2.509 411 V HA -0.001 4.118 4.120 -0.000 0.000 0.297 411 V C 1.826 177.862 176.094 -0.097 0.000 1.014 411 V CA 0.980 63.251 62.300 -0.047 0.000 1.127 411 V CB 0.591 32.333 31.823 -0.135 0.000 0.925 411 V HN 0.533 nan 8.190 nan 0.000 0.480 412 L N 4.658 125.803 121.223 -0.130 0.000 2.005 412 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 412 L C 0.330 176.796 176.870 -0.673 0.000 1.072 412 L CA 1.722 56.341 54.840 -0.368 0.000 0.744 412 L CB -0.198 41.695 42.059 -0.276 0.000 0.895 412 L HN 0.439 nan 8.230 nan 0.000 0.433 413 F N -1.569 118.344 119.950 -0.062 0.000 2.576 413 F HA 0.406 4.933 4.527 -0.000 0.000 0.313 413 F C 0.120 175.882 175.800 -0.063 0.000 1.078 413 F CA -0.706 57.260 58.000 -0.056 0.000 0.921 413 F CB 1.898 40.884 39.000 -0.024 0.000 1.232 413 F HN -0.370 nan 8.300 nan 0.000 0.459 414 S N 1.971 117.763 115.700 0.153 0.000 2.519 414 S HA 0.810 5.280 4.470 -0.000 0.000 0.309 414 S C -1.461 173.226 174.600 0.145 0.000 1.100 414 S CA -0.461 57.804 58.200 0.109 0.000 1.059 414 S CB 0.955 64.254 63.200 0.164 0.000 1.008 414 S HN 0.402 nan 8.310 nan 0.000 0.478 415 V N 5.572 125.569 119.914 0.139 0.000 2.495 415 V HA 0.619 4.739 4.120 -0.000 0.000 0.298 415 V C -0.664 175.514 176.094 0.140 0.000 1.031 415 V CA -0.788 61.580 62.300 0.113 0.000 0.871 415 V CB 1.522 33.388 31.823 0.071 0.000 0.988 415 V HN 0.825 nan 8.190 nan 0.000 0.432 416 L N 5.812 127.105 121.223 0.116 0.000 2.343 416 L HA 0.656 4.995 4.340 -0.000 0.000 0.278 416 L C -0.586 176.319 176.870 0.058 0.000 0.996 416 L CA -0.047 54.861 54.840 0.114 0.000 0.831 416 L CB 1.800 43.939 42.059 0.134 0.000 1.232 416 L HN 0.451 nan 8.230 nan 0.000 0.413 417 V N 4.426 124.365 119.914 0.042 0.000 2.407 417 V HA 0.675 4.795 4.120 -0.000 0.000 0.278 417 V C 0.478 176.580 176.094 0.014 0.000 1.037 417 V CA 0.090 62.391 62.300 0.002 0.000 0.900 417 V CB 1.334 33.134 31.823 -0.038 0.000 0.983 417 V HN 0.943 nan 8.190 nan 0.000 0.459 418 T N 0.279 114.837 114.554 0.006 0.000 2.742 418 T HA 0.428 4.778 4.350 -0.000 0.000 0.282 418 T C 0.856 175.558 174.700 0.003 0.000 1.025 418 T CA -0.511 61.598 62.100 0.014 0.000 1.020 418 T CB 1.616 70.498 68.868 0.024 0.000 1.317 418 T HN 0.454 nan 8.240 nan 0.000 0.538 419 E N 0.191 120.396 120.200 0.008 0.000 2.097 419 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 419 E C 2.028 178.629 176.600 0.002 0.000 1.000 419 E CA 2.145 58.548 56.400 0.004 0.000 0.804 419 E CB -0.493 29.212 29.700 0.008 0.000 0.740 419 E HN 0.733 nan 8.360 nan 0.000 0.454 420 T N 0.082 114.639 114.554 0.005 0.000 2.665 420 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 420 T C 1.939 176.638 174.700 -0.002 0.000 1.035 420 T CA 1.847 63.950 62.100 0.005 0.000 1.151 420 T CB -0.638 68.234 68.868 0.008 0.000 0.862 420 T HN 0.226 nan 8.240 nan 0.000 0.438 421 T N 2.378 116.925 114.554 -0.013 0.000 2.737 421 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 421 T C 1.900 176.580 174.700 -0.033 0.000 1.040 421 T CA 0.899 62.977 62.100 -0.036 0.000 1.142 421 T CB -0.480 68.359 68.868 -0.049 0.000 0.861 421 T HN 0.297 nan 8.240 nan 0.000 0.456 422 L N 0.335 121.545 121.223 -0.021 0.000 2.275 422 L HA -0.065 4.275 4.340 -0.000 0.000 0.215 422 L C 2.516 179.384 176.870 -0.004 0.000 1.119 422 L CA 1.238 56.069 54.840 -0.016 0.000 0.790 422 L CB -0.427 41.624 42.059 -0.012 0.000 0.919 422 L HN 0.416 nan 8.230 nan 0.000 0.443 423 E N 0.272 120.474 120.200 0.003 0.000 2.065 423 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 423 E C 1.150 177.766 176.600 0.026 0.000 0.960 423 E CA 0.978 57.385 56.400 0.012 0.000 0.824 423 E CB -0.022 29.684 29.700 0.011 0.000 0.793 423 E HN 0.473 nan 8.360 nan 0.000 0.459 424 N N -0.455 118.265 118.700 0.033 0.000 2.187 424 N HA 0.092 4.832 4.740 -0.000 0.000 0.212 424 N C 0.911 176.494 175.510 0.121 0.000 1.152 424 N CA 0.583 53.674 53.050 0.068 0.000 0.872 424 N CB 0.991 39.512 38.487 0.057 0.000 1.025 424 N HN 0.212 nan 8.380 nan 0.000 0.514 425 G N 0.341 109.160 108.800 0.031 0.000 2.168 425 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.257 425 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.257 425 G C -0.450 174.297 174.900 -0.253 0.000 0.997 425 G CA 0.520 45.542 45.100 -0.131 0.000 0.708 425 G HN 0.378 nan 8.290 nan 0.000 0.520 426 L N 0.296 121.484 121.223 -0.059 0.000 2.307 426 L HA 0.712 5.051 4.340 -0.000 0.000 0.282 426 L C 0.725 177.560 176.870 -0.058 0.000 1.051 426 L CA -1.292 53.523 54.840 -0.042 0.000 0.804 426 L CB 1.128 43.201 42.059 0.023 0.000 1.197 426 L HN 0.284 nan 8.230 nan 0.000 0.431 427 I N -0.063 120.467 120.570 -0.066 0.000 2.797 427 I HA 0.455 4.625 4.170 -0.000 0.000 0.307 427 I C -0.373 175.729 176.117 -0.024 0.000 1.033 427 I CA -0.761 60.512 61.300 -0.044 0.000 1.071 427 I CB 1.476 39.442 38.000 -0.056 0.000 1.255 427 I HN 0.540 nan 8.210 nan 0.000 0.445 428 Q N 2.978 122.782 119.800 0.005 0.000 2.296 428 Q HA 0.560 4.900 4.340 -0.000 0.000 0.257 428 Q C -1.543 174.474 176.000 0.027 0.000 0.942 428 Q CA -0.715 55.101 55.803 0.021 0.000 0.939 428 Q CB 1.352 30.123 28.738 0.055 0.000 1.198 428 Q HN 0.780 nan 8.270 nan 0.000 0.429 429 L N 4.865 126.086 121.223 -0.004 0.000 2.298 429 L HA 0.504 4.844 4.340 -0.000 0.000 0.284 429 L C -1.218 175.672 176.870 0.033 0.000 1.013 429 L CA -0.219 54.623 54.840 0.005 0.000 0.824 429 L CB 1.323 43.326 42.059 -0.093 0.000 1.221 429 L HN 0.610 nan 8.230 nan 0.000 0.418 430 R N 3.540 124.074 120.500 0.056 0.000 2.445 430 R HA 0.597 4.936 4.340 -0.000 0.000 0.308 430 R C -0.788 175.540 176.300 0.047 0.000 0.961 430 R CA -0.319 55.775 56.100 -0.010 0.000 0.862 430 R CB 1.548 31.723 30.300 -0.210 0.000 1.144 430 R HN 0.797 nan 8.270 nan 0.000 0.447 431 S N 3.290 119.010 115.700 0.032 0.000 2.585 431 S HA 0.179 4.649 4.470 -0.000 0.000 0.277 431 S C 1.062 175.554 174.600 -0.180 0.000 1.241 431 S CA -0.726 57.420 58.200 -0.091 0.000 1.041 431 S CB 1.829 65.020 63.200 -0.014 0.000 0.987 431 S HN 0.874 nan 8.310 nan 0.000 0.512 432 R N 1.722 122.049 120.500 -0.288 0.000 2.061 432 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 432 R C 0.945 177.167 176.300 -0.129 0.000 1.140 432 R CA 2.001 57.993 56.100 -0.180 0.000 0.940 432 R CB -0.735 29.452 30.300 -0.188 0.000 0.839 432 R HN 0.779 nan 8.270 nan 0.000 0.429 433 D N -0.244 120.067 120.400 -0.148 0.000 2.123 433 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 433 D C 1.825 178.098 176.300 -0.046 0.000 0.992 433 D CA 2.239 56.191 54.000 -0.080 0.000 0.833 433 D CB -0.212 40.550 40.800 -0.063 0.000 0.954 433 D HN 0.512 nan 8.370 nan 0.000 0.455 434 T N -3.849 110.681 114.554 -0.040 0.000 3.037 434 T HA 0.037 4.387 4.350 -0.000 0.000 0.251 434 T C 0.907 175.594 174.700 -0.021 0.000 1.079 434 T CA 0.988 63.079 62.100 -0.015 0.000 1.067 434 T CB 0.111 68.984 68.868 0.009 0.000 0.948 434 T HN 0.006 nan 8.240 nan 0.000 0.496 435 T N 0.358 114.887 114.554 -0.042 0.000 4.543 435 T HA -0.198 4.152 4.350 -0.000 0.000 0.313 435 T C -0.186 174.496 174.700 -0.031 0.000 1.051 435 T CA 1.027 63.100 62.100 -0.046 0.000 2.160 435 T CB -2.351 66.501 68.868 -0.026 0.000 1.904 435 T HN 0.558 nan 8.240 nan 0.000 0.924 436 M N 1.409 120.998 119.600 -0.019 0.000 2.300 436 M HA 0.394 4.874 4.480 -0.000 0.000 0.348 436 M C 0.042 176.338 176.300 -0.005 0.000 1.151 436 M CA -0.250 55.047 55.300 -0.004 0.000 1.046 436 M CB 1.110 33.714 32.600 0.007 0.000 1.647 436 M HN 0.011 nan 8.290 nan 0.000 0.451 437 K N 2.890 123.291 120.400 0.002 0.000 2.110 437 K HA 0.590 4.910 4.320 -0.000 0.000 0.263 437 K C -0.912 175.688 176.600 -0.001 0.000 0.975 437 K CA -0.785 55.506 56.287 0.006 0.000 0.895 437 K CB 1.385 33.904 32.500 0.032 0.000 1.060 437 K HN 0.718 nan 8.250 nan 0.000 0.448 438 E N 1.147 121.339 120.200 -0.014 0.000 2.390 438 E HA 0.287 4.637 4.350 -0.000 0.000 0.280 438 E C -1.000 175.572 176.600 -0.047 0.000 0.992 438 E CA -0.956 55.424 56.400 -0.034 0.000 0.790 438 E CB 1.033 30.698 29.700 -0.059 0.000 1.248 438 E HN 0.183 nan 8.360 nan 0.000 0.447 439 M N 2.581 122.156 119.600 -0.041 0.000 2.274 439 M HA 0.487 4.966 4.480 -0.000 0.000 0.344 439 M C -0.334 175.928 176.300 -0.063 0.000 1.161 439 M CA -0.256 55.021 55.300 -0.038 0.000 1.126 439 M CB 0.635 33.225 32.600 -0.015 0.000 1.522 439 M HN 0.915 nan 8.290 nan 0.000 0.461 440 M N 1.480 121.043 119.600 -0.062 0.000 2.471 440 M HA 0.295 4.774 4.480 -0.000 0.000 0.284 440 M C -1.302 174.987 176.300 -0.019 0.000 1.203 440 M CA -0.535 54.724 55.300 -0.069 0.000 0.915 440 M CB 2.416 34.918 32.600 -0.163 0.000 1.734 440 M HN 0.727 nan 8.290 nan 0.000 0.485 441 H N 4.070 123.101 119.070 -0.065 0.000 2.767 441 H HA 0.197 4.753 4.556 -0.000 0.000 0.316 441 H C 0.797 176.101 175.328 -0.039 0.000 1.059 441 H CA 0.555 56.577 56.048 -0.043 0.000 1.461 441 H CB 1.178 30.920 29.762 -0.033 0.000 1.475 441 H HN 0.918 nan 8.280 nan 0.000 0.531 442 I N 3.815 124.109 120.570 -0.461 0.000 2.462 442 I HA -0.348 3.822 4.170 -0.000 0.000 0.259 442 I C 1.975 178.012 176.117 -0.134 0.000 1.156 442 I CA 1.779 62.912 61.300 -0.278 0.000 1.417 442 I CB 0.050 37.869 38.000 -0.303 0.000 1.088 442 I HN 0.578 nan 8.210 nan 0.000 0.442 443 S N -0.853 114.833 115.700 -0.022 0.000 2.522 443 S HA -0.067 4.403 4.470 -0.000 0.000 0.227 443 S C 1.763 176.424 174.600 0.102 0.000 0.986 443 S CA 0.385 58.665 58.200 0.133 0.000 0.929 443 S CB -0.070 63.320 63.200 0.317 0.000 0.769 443 S HN 0.442 nan 8.310 nan 0.000 0.529 444 K N -0.108 120.346 120.400 0.090 0.000 2.354 444 K HA 0.387 4.706 4.320 -0.000 0.000 0.194 444 K C 1.542 178.178 176.600 0.059 0.000 1.045 444 K CA -0.049 56.277 56.287 0.066 0.000 1.026 444 K CB -0.107 32.425 32.500 0.054 0.000 0.866 444 K HN 0.136 nan 8.250 nan 0.000 0.530 445 L N 2.072 123.311 121.223 0.026 0.000 1.990 445 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 445 L C 2.304 179.217 176.870 0.071 0.000 1.072 445 L CA 1.847 56.709 54.840 0.037 0.000 0.755 445 L CB -0.457 41.597 42.059 -0.008 0.000 0.889 445 L HN 0.135 nan 8.230 nan 0.000 0.432 446 R N -0.398 120.127 120.500 0.042 0.000 2.096 446 R HA -0.209 4.131 4.340 -0.000 0.000 0.240 446 R C 1.853 178.176 176.300 0.039 0.000 1.139 446 R CA 2.254 58.375 56.100 0.034 0.000 0.952 446 R CB -0.777 29.539 30.300 0.026 0.000 0.854 446 R HN 0.472 nan 8.270 nan 0.000 0.436 447 D N -0.196 120.239 120.400 0.058 0.000 2.117 447 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 447 D C 1.640 177.983 176.300 0.072 0.000 0.982 447 D CA 0.973 55.008 54.000 0.059 0.000 0.828 447 D CB -0.476 40.364 40.800 0.066 0.000 0.967 447 D HN 0.222 nan 8.370 nan 0.000 0.464 448 F N 1.483 121.406 119.950 -0.046 0.000 2.126 448 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 448 F C 2.014 177.773 175.800 -0.070 0.000 1.096 448 F CA 1.213 59.168 58.000 -0.074 0.000 1.255 448 F CB -0.387 38.520 39.000 -0.156 0.000 0.997 448 F HN -0.118 nan 8.300 nan 0.000 0.479 449 L N -0.833 120.220 121.223 -0.283 0.000 2.044 449 L HA -0.165 4.175 4.340 -0.000 0.000 0.205 449 L C 2.477 179.271 176.870 -0.127 0.000 1.075 449 L CA 0.914 55.563 54.840 -0.319 0.000 0.747 449 L CB -1.008 40.977 42.059 -0.124 0.000 0.903 449 L HN -0.029 nan 8.230 nan 0.000 0.435 450 V N 0.123 120.003 119.914 -0.056 0.000 2.332 450 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 450 V C 2.578 178.658 176.094 -0.023 0.000 1.055 450 V CA 1.868 64.159 62.300 -0.015 0.000 1.038 450 V CB -0.414 31.411 31.823 0.004 0.000 0.651 450 V HN 0.390 nan 8.190 nan 0.000 0.450 451 K N -1.336 119.036 120.400 -0.047 0.000 2.001 451 K HA -0.194 4.126 4.320 -0.000 0.000 0.208 451 K C 2.177 178.742 176.600 -0.059 0.000 1.048 451 K CA 1.915 58.178 56.287 -0.039 0.000 0.932 451 K CB -0.416 32.073 32.500 -0.018 0.000 0.715 451 K HN 0.533 nan 8.250 nan 0.000 0.437 452 Y N 1.750 121.879 120.300 -0.285 0.000 2.114 452 Y HA -0.285 4.265 4.550 -0.000 0.000 0.282 452 Y C 1.719 177.549 175.900 -0.118 0.000 1.165 452 Y CA 1.635 59.574 58.100 -0.268 0.000 1.148 452 Y CB -0.203 37.937 38.460 -0.534 0.000 0.972 452 Y HN -0.023 nan 8.280 nan 0.000 0.504 453 L N -0.453 120.781 121.223 0.018 0.000 2.027 453 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 453 L C 2.809 179.650 176.870 -0.049 0.000 1.074 453 L CA 1.117 55.954 54.840 -0.004 0.000 0.745 453 L CB -1.045 41.062 42.059 0.079 0.000 0.898 453 L HN 0.310 nan 8.230 nan 0.000 0.433 454 A N -1.010 121.792 122.820 -0.030 0.000 2.019 454 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 454 A C 2.539 180.097 177.584 -0.043 0.000 1.164 454 A CA 2.042 54.070 52.037 -0.015 0.000 0.644 454 A CB -0.555 18.443 19.000 -0.004 0.000 0.805 454 A HN 0.377 nan 8.150 nan 0.000 0.449 455 S N -0.741 114.899 115.700 -0.100 0.000 2.395 455 S HA 0.099 4.569 4.470 -0.000 0.000 0.225 455 S C 2.128 176.641 174.600 -0.144 0.000 1.027 455 S CA 1.239 59.366 58.200 -0.122 0.000 0.965 455 S CB -0.362 62.742 63.200 -0.160 0.000 0.812 455 S HN 0.759 nan 8.310 nan 0.000 0.482 456 A N 0.662 123.353 122.820 -0.215 0.000 1.929 456 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 456 A C 2.358 179.959 177.584 0.029 0.000 1.176 456 A CA 1.871 53.814 52.037 -0.157 0.000 0.628 456 A CB -1.063 17.773 19.000 -0.273 0.000 0.816 456 A HN 0.640 nan 8.150 nan 0.000 0.444 457 S N -0.013 115.707 115.700 0.034 0.000 2.406 457 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 457 S C 1.786 176.418 174.600 0.054 0.000 1.020 457 S CA 1.264 59.516 58.200 0.087 0.000 0.965 457 S CB -0.525 62.729 63.200 0.089 0.000 0.798 457 S HN 0.546 nan 8.310 nan 0.000 0.488 458 N N 1.422 120.130 118.700 0.012 0.000 2.188 458 N HA -0.001 4.739 4.740 -0.000 0.000 0.184 458 N C 1.689 177.182 175.510 -0.028 0.000 1.018 458 N CA 1.242 54.288 53.050 -0.008 0.000 0.858 458 N CB -0.729 37.744 38.487 -0.023 0.000 0.989 458 N HN 0.297 nan 8.380 nan 0.000 0.426 459 V N 1.690 121.585 119.914 -0.032 0.000 2.688 459 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 459 V C 1.237 177.288 176.094 -0.072 0.000 1.084 459 V CA 0.827 63.098 62.300 -0.047 0.000 1.103 459 V CB -1.328 30.473 31.823 -0.036 0.000 0.688 459 V HN 0.480 nan 8.190 nan 0.000 0.480 460 A N 0.000 122.782 122.820 -0.064 0.000 2.254 460 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 460 A CA 0.000 51.976 52.037 -0.101 0.000 0.836 460 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 460 A HN 0.000 nan 8.150 nan 0.000 0.486