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 2ib9_1_D DATA FIRST_RESID 35 DATA SEQUENCE SKPTLKEVVI VSATRTPIGS FLGSLSLLPA TKLGSIAIQG AIEKAGIPKE DATA SEQUENCE EVKEAYMGNV LQGGEGQAPT RQAVLGAGLP ISTPCTTINK VCASGMKAIM DATA SEQUENCE MASQSLMCGH QDVMVAGGME SMSNVPYVMN RGSTPYGGVK LEDLIVKDGL DATA SEQUENCE TDVYNKIHMG SCAENTAKKL NIARNEQDAY AINSYTRSKA AWEAGKFGNE DATA SEQUENCE VIPVTVTVKG QPDVVVKEDE EYKRVDFSKV PKLKTVFQKE NGTVTAANAS DATA SEQUENCE TLNDGAAALV LMTADAAKRL NVTPLARIVA FADAAVEPID FPIAPVYAAS DATA SEQUENCE MVLKDVGLKK EDIAMWEVNE AFSLVVLANI KMLEIDPQKV NINGGAVSLG DATA SEQUENCE HPIGMSGARI VGHLTHALKQ GEYGLASICN GGGGASAMLI QKL 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 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.594 174.600 -0.009 0.000 1.055 35 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 35 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 36 K N 2.426 122.818 120.400 -0.012 0.000 2.249 36 K HA 0.516 4.836 4.320 0.000 0.000 0.280 36 K C -2.096 174.494 176.600 -0.015 0.000 1.033 36 K CA -1.516 54.761 56.287 -0.017 0.000 0.946 36 K CB 0.213 32.700 32.500 -0.022 0.000 1.005 36 K HN 0.564 nan 8.250 nan 0.000 0.469 37 P HA 0.044 nan 4.420 nan 0.000 0.272 37 P C -0.753 176.536 177.300 -0.019 0.000 1.230 37 P CA -0.313 62.778 63.100 -0.015 0.000 0.788 37 P CB 0.513 32.203 31.700 -0.016 0.000 0.949 38 T N 2.314 116.859 114.554 -0.016 0.000 2.743 38 T HA 0.467 4.817 4.350 0.000 0.000 0.292 38 T C 0.252 174.940 174.700 -0.020 0.000 0.972 38 T CA -0.323 61.767 62.100 -0.017 0.000 0.967 38 T CB 0.009 68.870 68.868 -0.012 0.000 0.926 38 T HN 0.188 nan 8.240 nan 0.000 0.459 39 L N 2.507 123.716 121.223 -0.023 0.000 2.322 39 L HA 0.563 4.903 4.340 0.000 0.000 0.269 39 L C 0.578 177.437 176.870 -0.019 0.000 1.012 39 L CA -1.345 53.480 54.840 -0.025 0.000 0.815 39 L CB 1.341 43.384 42.059 -0.027 0.000 1.295 39 L HN 0.333 nan 8.230 nan 0.000 0.438 40 K N 1.046 121.435 120.400 -0.019 0.000 2.295 40 K HA 0.135 4.455 4.320 0.000 0.000 0.270 40 K C -0.319 176.279 176.600 -0.003 0.000 1.011 40 K CA -0.289 55.992 56.287 -0.011 0.000 0.953 40 K CB 0.915 33.407 32.500 -0.012 0.000 0.956 40 K HN 0.508 nan 8.250 nan 0.000 0.477 41 E N 1.820 122.020 120.200 -0.001 0.000 2.313 41 E HA 0.128 4.478 4.350 0.000 0.000 0.276 41 E C -1.167 175.439 176.600 0.010 0.000 1.031 41 E CA -0.518 55.884 56.400 0.004 0.000 0.857 41 E CB 0.949 30.648 29.700 -0.001 0.000 1.040 41 E HN 0.147 nan 8.360 nan 0.000 0.408 42 V N 5.586 125.514 119.914 0.023 0.000 2.417 42 V HA 0.336 4.456 4.120 0.000 0.000 0.291 42 V C -0.139 175.966 176.094 0.020 0.000 1.024 42 V CA -0.685 61.631 62.300 0.028 0.000 0.861 42 V CB 1.344 33.203 31.823 0.059 0.000 0.985 42 V HN 0.566 nan 8.190 nan 0.000 0.436 43 V N 3.026 122.942 119.914 0.004 0.000 2.864 43 V HA 0.682 4.802 4.120 0.000 0.000 0.314 43 V C -0.450 175.634 176.094 -0.017 0.000 1.073 43 V CA -0.952 61.343 62.300 -0.009 0.000 0.956 43 V CB 2.051 33.864 31.823 -0.017 0.000 1.023 43 V HN 0.648 nan 8.190 nan 0.000 0.435 44 I N 3.085 123.638 120.570 -0.029 0.000 2.325 44 I HA 0.283 4.453 4.170 0.000 0.000 0.291 44 I C 0.848 176.935 176.117 -0.050 0.000 1.019 44 I CA -0.206 61.069 61.300 -0.042 0.000 1.302 44 I CB 1.714 39.678 38.000 -0.059 0.000 1.401 44 I HN 0.509 nan 8.210 nan 0.000 0.485 45 V N 4.025 123.916 119.914 -0.038 0.000 3.125 45 V HA 0.059 4.179 4.120 0.000 0.000 0.249 45 V C 0.604 176.680 176.094 -0.030 0.000 1.113 45 V CA 0.767 63.048 62.300 -0.032 0.000 1.106 45 V CB 0.091 31.902 31.823 -0.019 0.000 0.768 45 V HN 0.889 nan 8.190 nan 0.000 0.468 46 S N -0.700 114.983 115.700 -0.029 0.000 2.552 46 S HA 0.814 5.284 4.470 0.000 0.000 0.272 46 S C -1.017 173.582 174.600 -0.002 0.000 1.150 46 S CA -0.067 58.131 58.200 -0.004 0.000 0.849 46 S CB 2.132 65.351 63.200 0.032 0.000 1.113 46 S HN 0.682 nan 8.310 nan 0.000 0.458 47 A N 1.623 124.470 122.820 0.045 0.000 2.402 47 A HA 0.851 5.171 4.320 0.000 0.000 0.291 47 A C -0.510 177.230 177.584 0.260 0.000 1.051 47 A CA -0.659 51.443 52.037 0.108 0.000 0.716 47 A CB 1.480 20.499 19.000 0.030 0.000 1.223 47 A HN 0.984 nan 8.150 nan 0.000 0.425 48 T N 1.892 116.541 114.554 0.157 0.000 2.912 48 T HA 0.768 5.118 4.350 0.000 0.000 0.299 48 T C -0.380 174.381 174.700 0.101 0.000 1.052 48 T CA -0.713 61.465 62.100 0.130 0.000 0.996 48 T CB 1.702 70.626 68.868 0.093 0.000 1.070 48 T HN 0.989 nan 8.240 nan 0.000 0.465 49 R N -0.410 120.146 120.500 0.092 0.000 2.774 49 R HA 0.771 5.111 4.340 0.000 0.000 0.272 49 R C -0.339 176.004 176.300 0.072 0.000 1.000 49 R CA -0.979 55.168 56.100 0.078 0.000 0.906 49 R CB 0.875 31.223 30.300 0.080 0.000 1.227 49 R HN 0.668 nan 8.270 nan 0.000 0.468 50 T N -0.638 113.952 114.554 0.060 0.000 2.813 50 T HA 0.359 4.709 4.350 0.000 0.000 0.297 50 T C -2.109 172.631 174.700 0.068 0.000 1.036 50 T CA -1.414 60.721 62.100 0.057 0.000 1.044 50 T CB 0.692 69.584 68.868 0.040 0.000 0.993 50 T HN 0.407 nan 8.240 nan 0.000 0.535 51 P HA 0.276 nan 4.420 nan 0.000 0.270 51 P C -0.496 176.825 177.300 0.035 0.000 1.223 51 P CA -0.318 62.820 63.100 0.063 0.000 0.785 51 P CB 0.244 31.952 31.700 0.013 0.000 0.923 52 I N 0.845 121.434 120.570 0.032 0.000 2.331 52 I HA 0.392 4.562 4.170 0.000 0.000 0.292 52 I C 1.090 177.213 176.117 0.010 0.000 0.998 52 I CA -0.082 61.235 61.300 0.029 0.000 1.267 52 I CB 1.099 39.124 38.000 0.042 0.000 1.386 52 I HN 0.312 nan 8.210 nan 0.000 0.476 53 G N 3.836 112.644 108.800 0.014 0.000 2.410 53 G HA2 0.477 4.437 3.960 0.000 0.000 0.330 53 G HA3 0.477 4.437 3.960 0.000 0.000 0.330 53 G C -0.468 174.452 174.900 0.034 0.000 1.142 53 G CA -0.340 44.762 45.100 0.004 0.000 0.902 53 G HN 0.555 nan 8.290 nan 0.000 0.491 54 S N -0.290 115.428 115.700 0.031 0.000 2.614 54 S HA 0.264 4.734 4.470 0.000 0.000 0.265 54 S C -0.182 174.491 174.600 0.121 0.000 1.303 54 S CA -0.381 57.866 58.200 0.078 0.000 1.000 54 S CB 0.797 64.029 63.200 0.054 0.000 0.935 54 S HN 0.444 nan 8.310 nan 0.000 0.551 55 F N 2.644 122.596 119.950 0.002 0.000 2.557 55 F HA 0.159 4.686 4.527 -0.000 0.000 0.384 55 F C 0.868 176.668 175.800 -0.000 0.000 1.057 55 F CA -0.328 57.673 58.000 0.001 0.000 1.169 55 F CB -0.962 38.045 39.000 0.011 0.000 1.070 55 F HN 0.512 nan 8.300 nan 0.000 0.554 56 L N 4.410 125.368 121.223 -0.441 0.000 4.232 56 L HA -0.287 4.053 4.340 0.000 0.000 0.415 56 L C 0.997 177.771 176.870 -0.161 0.000 1.168 56 L CA 0.457 55.075 54.840 -0.369 0.000 0.966 56 L CB -2.346 39.429 42.059 -0.473 0.000 2.052 56 L HN 0.792 nan 8.230 nan 0.000 0.887 57 G N -0.093 108.653 108.800 -0.091 0.000 2.882 57 G HA2 0.375 4.335 3.960 0.000 0.000 0.164 57 G HA3 0.375 4.335 3.960 0.000 0.000 0.164 57 G C 1.032 175.900 174.900 -0.053 0.000 1.429 57 G CA 0.406 45.475 45.100 -0.053 0.000 1.059 57 G HN 0.329 nan 8.290 nan 0.000 0.581 58 S N -0.877 114.796 115.700 -0.046 0.000 2.447 58 S HA 0.048 4.518 4.470 0.000 0.000 0.233 58 S C 1.764 176.341 174.600 -0.038 0.000 1.006 58 S CA 0.854 59.026 58.200 -0.046 0.000 0.957 58 S CB -0.176 62.991 63.200 -0.055 0.000 0.773 58 S HN 0.264 nan 8.310 nan 0.000 0.507 59 L N 1.741 122.945 121.223 -0.031 0.000 2.808 59 L HA 0.269 4.609 4.340 0.000 0.000 0.246 59 L C 2.073 178.928 176.870 -0.026 0.000 1.153 59 L CA 0.387 55.214 54.840 -0.022 0.000 0.956 59 L CB 0.093 42.146 42.059 -0.010 0.000 1.270 59 L HN 0.403 nan 8.230 nan 0.000 0.528 60 S N -0.276 115.398 115.700 -0.044 0.000 2.474 60 S HA -0.069 4.401 4.470 0.000 0.000 0.235 60 S C 1.689 176.257 174.600 -0.053 0.000 0.997 60 S CA 0.644 58.806 58.200 -0.062 0.000 0.949 60 S CB -0.282 62.852 63.200 -0.110 0.000 0.766 60 S HN 0.444 nan 8.310 nan 0.000 0.517 61 L N 0.300 121.498 121.223 -0.042 0.000 2.395 61 L HA 0.258 4.598 4.340 0.000 0.000 0.218 61 L C 0.344 177.201 176.870 -0.022 0.000 1.130 61 L CA 0.360 55.181 54.840 -0.032 0.000 0.826 61 L CB -0.346 41.696 42.059 -0.029 0.000 0.941 61 L HN 0.282 nan 8.230 nan 0.000 0.451 62 L N 1.441 122.652 121.223 -0.018 0.000 2.275 62 L HA 0.354 4.694 4.340 0.000 0.000 0.288 62 L C -2.076 174.790 176.870 -0.008 0.000 1.046 62 L CA -2.053 52.781 54.840 -0.010 0.000 0.805 62 L CB 0.803 42.858 42.059 -0.006 0.000 1.193 62 L HN -0.208 nan 8.230 nan 0.000 0.426 63 P HA 0.053 nan 4.420 nan 0.000 0.272 63 P C 0.356 177.657 177.300 0.002 0.000 1.230 63 P CA -0.308 62.790 63.100 -0.003 0.000 0.788 63 P CB 1.059 32.758 31.700 -0.002 0.000 0.949 64 A N 2.427 125.249 122.820 0.002 0.000 1.927 64 A HA -0.231 4.089 4.320 0.000 0.000 0.220 64 A C 2.080 179.669 177.584 0.008 0.000 1.185 64 A CA 2.937 54.977 52.037 0.005 0.000 0.639 64 A CB -2.187 16.815 19.000 0.002 0.000 0.820 64 A HN 0.694 nan 8.150 nan 0.000 0.451 65 T N -2.145 112.413 114.554 0.007 0.000 2.788 65 T HA -0.168 4.182 4.350 0.000 0.000 0.268 65 T C 1.822 176.528 174.700 0.010 0.000 1.044 65 T CA 1.763 63.869 62.100 0.009 0.000 1.139 65 T CB -0.206 68.666 68.868 0.008 0.000 0.867 65 T HN 0.386 nan 8.240 nan 0.000 0.454 66 K N 1.444 121.849 120.400 0.008 0.000 2.057 66 K HA 0.162 4.482 4.320 0.000 0.000 0.206 66 K C 2.208 178.815 176.600 0.011 0.000 1.050 66 K CA 1.080 57.372 56.287 0.008 0.000 0.935 66 K CB -0.891 31.613 32.500 0.005 0.000 0.715 66 K HN 0.468 nan 8.250 nan 0.000 0.439 67 L N -0.373 120.857 121.223 0.012 0.000 2.042 67 L HA -0.103 4.237 4.340 0.000 0.000 0.210 67 L C 2.435 179.318 176.870 0.020 0.000 1.076 67 L CA 1.490 56.340 54.840 0.016 0.000 0.749 67 L CB -1.046 41.022 42.059 0.016 0.000 0.893 67 L HN 0.442 nan 8.230 nan 0.000 0.432 68 G N -0.687 108.125 108.800 0.019 0.000 2.446 68 G HA2 -0.265 3.695 3.960 0.000 0.000 0.217 68 G HA3 -0.265 3.695 3.960 0.000 0.000 0.217 68 G C 1.740 176.653 174.900 0.021 0.000 1.168 68 G CA 1.034 46.148 45.100 0.022 0.000 0.771 68 G HN 0.353 nan 8.290 nan 0.000 0.551 69 S N 0.399 116.110 115.700 0.018 0.000 2.382 69 S HA -0.038 4.432 4.470 0.000 0.000 0.228 69 S C 2.277 176.888 174.600 0.019 0.000 1.027 69 S CA 0.896 59.106 58.200 0.017 0.000 0.991 69 S CB -0.197 63.011 63.200 0.013 0.000 0.823 69 S HN 0.396 nan 8.310 nan 0.000 0.469 70 I N 1.531 122.113 120.570 0.020 0.000 2.179 70 I HA -0.205 3.965 4.170 0.000 0.000 0.242 70 I C 2.702 178.836 176.117 0.029 0.000 1.088 70 I CA 1.155 62.469 61.300 0.023 0.000 1.357 70 I CB -0.492 37.522 38.000 0.023 0.000 1.051 70 I HN 0.266 nan 8.210 nan 0.000 0.409 71 A N 0.944 123.783 122.820 0.032 0.000 1.902 71 A HA -0.164 4.156 4.320 0.000 0.000 0.217 71 A C 2.302 179.907 177.584 0.035 0.000 1.181 71 A CA 1.478 53.538 52.037 0.038 0.000 0.623 71 A CB -0.821 18.204 19.000 0.041 0.000 0.818 71 A HN 0.369 nan 8.150 nan 0.000 0.443 72 I N -0.768 119.819 120.570 0.028 0.000 2.179 72 I HA -0.307 3.863 4.170 0.000 0.000 0.242 72 I C 2.834 178.964 176.117 0.021 0.000 1.088 72 I CA 1.871 63.184 61.300 0.022 0.000 1.357 72 I CB -0.302 37.709 38.000 0.018 0.000 1.051 72 I HN 0.519 nan 8.210 nan 0.000 0.409 73 Q N 0.794 120.607 119.800 0.021 0.000 2.079 73 Q HA -0.155 4.185 4.340 0.000 0.000 0.200 73 Q C 2.227 178.242 176.000 0.024 0.000 0.974 73 Q CA 1.732 57.547 55.803 0.019 0.000 0.840 73 Q CB -0.272 28.476 28.738 0.018 0.000 0.898 73 Q HN 0.559 nan 8.270 nan 0.000 0.430 74 G N 0.682 109.500 108.800 0.030 0.000 2.514 74 G HA2 -0.355 3.605 3.960 0.000 0.000 0.217 74 G HA3 -0.355 3.605 3.960 0.000 0.000 0.217 74 G C 1.463 176.387 174.900 0.040 0.000 1.198 74 G CA 1.315 46.438 45.100 0.037 0.000 0.780 74 G HN 0.524 nan 8.290 nan 0.000 0.565 75 A N 0.752 123.597 122.820 0.041 0.000 1.883 75 A HA -0.049 4.271 4.320 0.000 0.000 0.217 75 A C 2.387 179.988 177.584 0.029 0.000 1.186 75 A CA 1.788 53.850 52.037 0.042 0.000 0.624 75 A CB -0.349 18.673 19.000 0.038 0.000 0.822 75 A HN 0.310 nan 8.150 nan 0.000 0.444 76 I N 0.040 120.623 120.570 0.021 0.000 2.163 76 I HA -0.240 3.930 4.170 0.000 0.000 0.243 76 I C 2.344 178.470 176.117 0.016 0.000 1.085 76 I CA 1.763 63.071 61.300 0.014 0.000 1.347 76 I CB -1.819 36.187 38.000 0.010 0.000 1.044 76 I HN 0.467 nan 8.210 nan 0.000 0.408 77 E N 0.721 120.933 120.200 0.020 0.000 2.051 77 E HA -0.254 4.096 4.350 0.000 0.000 0.192 77 E C 2.170 178.785 176.600 0.024 0.000 0.991 77 E CA 1.317 57.729 56.400 0.020 0.000 0.799 77 E CB -0.073 29.640 29.700 0.022 0.000 0.748 77 E HN 0.248 nan 8.360 nan 0.000 0.449 78 K N 0.411 120.830 120.400 0.032 0.000 2.152 78 K HA -0.105 4.215 4.320 0.000 0.000 0.206 78 K C 1.717 178.337 176.600 0.033 0.000 1.048 78 K CA 1.194 57.504 56.287 0.040 0.000 0.933 78 K CB -0.095 32.441 32.500 0.061 0.000 0.721 78 K HN 0.117 nan 8.250 nan 0.000 0.447 79 A N -0.660 122.175 122.820 0.025 0.000 2.119 79 A HA 0.195 4.515 4.320 0.000 0.000 0.216 79 A C 1.389 178.978 177.584 0.010 0.000 1.152 79 A CA 0.883 52.929 52.037 0.015 0.000 0.708 79 A CB -0.498 18.506 19.000 0.008 0.000 0.805 79 A HN 0.395 nan 8.150 nan 0.000 0.460 80 G N -0.206 108.600 108.800 0.011 0.000 2.198 80 G HA2 -0.247 3.713 3.960 0.000 0.000 0.260 80 G HA3 -0.247 3.713 3.960 0.000 0.000 0.260 80 G C 0.155 175.058 174.900 0.005 0.000 1.025 80 G CA 0.558 45.663 45.100 0.008 0.000 0.769 80 G HN 1.357 nan 8.290 nan 0.000 0.507 81 I N -2.405 118.168 120.570 0.004 0.000 2.707 81 I HA 0.816 4.986 4.170 0.000 0.000 0.309 81 I C -1.866 174.252 176.117 0.002 0.000 1.001 81 I CA -3.190 58.111 61.300 0.001 0.000 1.129 81 I CB 1.760 39.759 38.000 -0.002 0.000 1.308 81 I HN -0.081 nan 8.210 nan 0.000 0.466 82 P HA 0.195 nan 4.420 nan 0.000 0.275 82 P C -0.271 177.028 177.300 -0.000 0.000 1.227 82 P CA -0.337 62.764 63.100 0.001 0.000 0.781 82 P CB 1.191 32.891 31.700 0.000 0.000 0.906 83 K N 1.424 121.824 120.400 0.001 0.000 2.160 83 K HA -0.180 4.140 4.320 0.000 0.000 0.206 83 K C 1.724 178.322 176.600 -0.003 0.000 1.047 83 K CA 1.527 57.814 56.287 -0.000 0.000 0.930 83 K CB -0.008 32.493 32.500 0.002 0.000 0.720 83 K HN 0.577 nan 8.250 nan 0.000 0.450 84 E N 0.935 121.134 120.200 -0.002 0.000 2.333 84 E HA -0.200 4.150 4.350 0.000 0.000 0.198 84 E C 1.271 177.868 176.600 -0.005 0.000 1.007 84 E CA 0.906 57.304 56.400 -0.003 0.000 0.845 84 E CB -0.080 29.619 29.700 -0.001 0.000 0.766 84 E HN 0.312 nan 8.360 nan 0.000 0.507 85 E N 1.051 121.247 120.200 -0.006 0.000 2.208 85 E HA 0.007 4.357 4.350 0.000 0.000 0.193 85 E C 0.558 177.149 176.600 -0.013 0.000 0.988 85 E CA 0.202 56.597 56.400 -0.008 0.000 0.828 85 E CB 0.115 29.811 29.700 -0.007 0.000 0.763 85 E HN 0.087 nan 8.360 nan 0.000 0.478 86 V N 3.187 123.091 119.914 -0.016 0.000 2.529 86 V HA -0.034 4.086 4.120 0.000 0.000 0.292 86 V C 1.379 177.457 176.094 -0.027 0.000 1.028 86 V CA 0.338 62.623 62.300 -0.025 0.000 1.074 86 V CB 0.952 32.760 31.823 -0.024 0.000 0.958 86 V HN 0.022 nan 8.190 nan 0.000 0.481 87 K N 3.043 123.421 120.400 -0.038 0.000 2.276 87 K HA 0.279 4.599 4.320 0.000 0.000 0.198 87 K C 0.575 177.148 176.600 -0.045 0.000 1.052 87 K CA 0.454 56.721 56.287 -0.034 0.000 0.984 87 K CB 0.747 33.229 32.500 -0.029 0.000 0.836 87 K HN 0.809 nan 8.250 nan 0.000 0.490 88 E N -1.124 119.028 120.200 -0.080 0.000 2.407 88 E HA 0.565 4.915 4.350 0.000 0.000 0.279 88 E C -1.991 174.510 176.600 -0.165 0.000 1.012 88 E CA -0.638 55.696 56.400 -0.111 0.000 0.800 88 E CB 2.163 31.773 29.700 -0.150 0.000 1.276 88 E HN 0.028 nan 8.360 nan 0.000 0.452 89 A N 2.096 124.833 122.820 -0.138 0.000 2.422 89 A HA 0.682 5.002 4.320 0.000 0.000 0.302 89 A C -2.029 175.575 177.584 0.032 0.000 1.041 89 A CA -0.511 51.466 52.037 -0.100 0.000 0.708 89 A CB 0.849 19.840 19.000 -0.015 0.000 1.257 89 A HN 0.420 nan 8.150 nan 0.000 0.414 90 Y N 1.736 122.034 120.300 -0.004 0.000 2.376 90 Y HA 0.708 5.258 4.550 0.000 0.000 0.340 90 Y C -0.041 175.854 175.900 -0.008 0.000 0.965 90 Y CA -1.871 56.224 58.100 -0.007 0.000 1.078 90 Y CB 1.922 40.373 38.460 -0.014 0.000 1.193 90 Y HN 0.516 nan 8.280 nan 0.000 0.452 91 M N 2.315 122.005 119.600 0.151 0.000 2.326 91 M HA 0.439 4.919 4.480 0.000 0.000 0.306 91 M C 0.345 176.672 176.300 0.045 0.000 1.054 91 M CA -0.827 54.521 55.300 0.079 0.000 0.922 91 M CB 1.954 34.587 32.600 0.055 0.000 1.632 91 M HN 0.796 nan 8.290 nan 0.000 0.436 92 G N 2.129 110.948 108.800 0.031 0.000 2.442 92 G HA2 0.361 4.321 3.960 0.000 0.000 0.249 92 G HA3 0.361 4.321 3.960 0.000 0.000 0.249 92 G C -0.362 174.540 174.900 0.003 0.000 1.263 92 G CA -0.266 44.840 45.100 0.009 0.000 0.846 92 G HN 0.872 nan 8.290 nan 0.000 0.555 93 N N 1.410 120.104 118.700 -0.010 0.000 3.063 93 N HA 0.062 4.802 4.740 0.000 0.000 0.242 93 N C 0.188 175.681 175.510 -0.028 0.000 1.146 93 N CA -0.703 52.337 53.050 -0.016 0.000 0.974 93 N CB 1.501 39.984 38.487 -0.007 0.000 1.584 93 N HN 0.140 nan 8.380 nan 0.000 0.636 94 V N 3.090 122.979 119.914 -0.040 0.000 2.685 94 V HA 0.144 4.264 4.120 0.000 0.000 0.244 94 V C 0.706 176.769 176.094 -0.051 0.000 1.054 94 V CA 0.858 63.127 62.300 -0.051 0.000 1.076 94 V CB -0.008 31.771 31.823 -0.073 0.000 0.725 94 V HN 0.585 nan 8.190 nan 0.000 0.467 95 L N 0.782 121.976 121.223 -0.049 0.000 2.371 95 L HA 0.369 4.709 4.340 0.000 0.000 0.262 95 L C 0.789 177.639 176.870 -0.033 0.000 1.054 95 L CA 0.092 54.904 54.840 -0.047 0.000 0.924 95 L CB 0.948 42.974 42.059 -0.056 0.000 1.295 95 L HN 0.184 nan 8.230 nan 0.000 0.441 96 Q N 1.243 121.026 119.800 -0.028 0.000 2.392 96 Q HA 0.118 4.458 4.340 0.000 0.000 0.203 96 Q C 1.292 177.282 176.000 -0.016 0.000 0.917 96 Q CA -0.059 55.732 55.803 -0.019 0.000 0.939 96 Q CB 0.583 29.310 28.738 -0.017 0.000 1.063 96 Q HN 0.736 nan 8.270 nan 0.000 0.516 97 G N 0.131 108.919 108.800 -0.020 0.000 2.254 97 G HA2 0.289 4.249 3.960 0.000 0.000 0.253 97 G HA3 0.289 4.249 3.960 0.000 0.000 0.253 97 G C 0.858 175.752 174.900 -0.010 0.000 1.246 97 G CA 0.316 45.407 45.100 -0.015 0.000 0.946 97 G HN 0.343 nan 8.290 nan 0.000 0.474 98 G N 2.014 110.812 108.800 -0.004 0.000 2.179 98 G HA2 -0.272 3.688 3.960 0.000 0.000 0.260 98 G HA3 -0.272 3.688 3.960 0.000 0.000 0.260 98 G C 0.889 175.789 174.900 -0.001 0.000 0.977 98 G CA 0.596 45.696 45.100 0.000 0.000 0.641 98 G HN 0.684 nan 8.290 nan 0.000 0.533 99 E N 0.400 120.599 120.200 -0.003 0.000 2.427 99 E HA 0.366 4.716 4.350 0.000 0.000 0.196 99 E C 1.589 178.189 176.600 0.001 0.000 1.028 99 E CA 0.483 56.882 56.400 -0.002 0.000 0.864 99 E CB 0.041 29.739 29.700 -0.003 0.000 0.813 99 E HN 1.608 nan 8.360 nan 0.000 0.514 100 G N 1.544 110.344 108.800 0.001 0.000 2.710 100 G HA2 -0.281 3.679 3.960 0.000 0.000 0.668 100 G HA3 -0.281 3.679 3.960 0.000 0.000 0.668 100 G C -0.677 174.224 174.900 0.002 0.000 1.320 100 G CA -0.676 44.425 45.100 0.002 0.000 0.860 100 G HN 0.180 nan 8.290 nan 0.000 0.538 101 Q N 0.077 119.879 119.800 0.003 0.000 2.330 101 Q HA 0.442 4.782 4.340 0.000 0.000 0.279 101 Q C 1.109 177.112 176.000 0.005 0.000 1.024 101 Q CA 0.910 56.715 55.803 0.004 0.000 0.900 101 Q CB 0.259 29.000 28.738 0.004 0.000 1.221 101 Q HN 2.448 nan 8.270 nan 0.000 0.396 102 A N 4.752 127.576 122.820 0.006 0.000 2.251 102 A HA -0.145 4.175 4.320 0.000 0.000 0.283 102 A C -1.917 175.674 177.584 0.011 0.000 1.415 102 A CA 0.137 52.180 52.037 0.009 0.000 0.742 102 A CB -1.239 17.768 19.000 0.012 0.000 1.151 102 A HN 0.783 nan 8.150 nan 0.000 0.354 103 P HA -0.214 nan 4.420 nan 0.000 0.217 103 P C 1.843 179.153 177.300 0.016 0.000 1.162 103 P CA 2.256 65.362 63.100 0.010 0.000 0.901 103 P CB -0.098 31.606 31.700 0.006 0.000 0.793 104 T N -0.790 113.777 114.554 0.023 0.000 2.720 104 T HA -0.207 4.143 4.350 0.000 0.000 0.268 104 T C 1.896 176.614 174.700 0.031 0.000 1.037 104 T CA 1.763 63.884 62.100 0.034 0.000 1.144 104 T CB -0.563 68.338 68.868 0.055 0.000 0.864 104 T HN 0.040 nan 8.240 nan 0.000 0.444 105 R N 1.241 121.758 120.500 0.027 0.000 2.091 105 R HA -0.065 4.275 4.340 0.000 0.000 0.238 105 R C 2.448 178.758 176.300 0.017 0.000 1.136 105 R CA 1.576 57.689 56.100 0.023 0.000 0.959 105 R CB -0.433 29.879 30.300 0.020 0.000 0.856 105 R HN 0.513 nan 8.270 nan 0.000 0.437 106 Q N -0.631 119.178 119.800 0.015 0.000 2.030 106 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 106 Q C 2.177 178.184 176.000 0.013 0.000 0.986 106 Q CA 1.810 57.620 55.803 0.012 0.000 0.843 106 Q CB -0.320 28.424 28.738 0.010 0.000 0.904 106 Q HN 0.472 nan 8.270 nan 0.000 0.420 107 A N 0.516 123.345 122.820 0.015 0.000 1.883 107 A HA -0.178 4.142 4.320 0.000 0.000 0.217 107 A C 2.382 179.975 177.584 0.015 0.000 1.186 107 A CA 1.691 53.738 52.037 0.016 0.000 0.624 107 A CB -0.902 18.110 19.000 0.019 0.000 0.822 107 A HN 0.222 nan 8.150 nan 0.000 0.444 108 V N 0.037 119.960 119.914 0.016 0.000 2.261 108 V HA -0.252 3.868 4.120 0.000 0.000 0.246 108 V C 2.577 178.677 176.094 0.010 0.000 1.047 108 V CA 2.035 64.343 62.300 0.013 0.000 1.015 108 V CB -0.727 31.105 31.823 0.014 0.000 0.642 108 V HN 0.571 nan 8.190 nan 0.000 0.446 109 L N 0.321 121.550 121.223 0.011 0.000 2.141 109 L HA -0.039 4.301 4.340 0.000 0.000 0.209 109 L C 2.534 179.409 176.870 0.008 0.000 1.094 109 L CA 1.509 56.354 54.840 0.009 0.000 0.763 109 L CB -1.023 41.041 42.059 0.009 0.000 0.908 109 L HN 0.488 nan 8.230 nan 0.000 0.437 110 G N -0.548 108.257 108.800 0.009 0.000 2.559 110 G HA2 -0.081 3.879 3.960 0.000 0.000 0.216 110 G HA3 -0.081 3.879 3.960 0.000 0.000 0.216 110 G C 1.429 176.335 174.900 0.009 0.000 1.126 110 G CA 0.651 45.756 45.100 0.009 0.000 0.778 110 G HN 0.447 nan 8.290 nan 0.000 0.543 111 A N -0.466 122.360 122.820 0.010 0.000 2.308 111 A HA 0.510 4.830 4.320 0.000 0.000 0.217 111 A C 1.877 179.466 177.584 0.008 0.000 1.216 111 A CA 1.069 53.112 52.037 0.010 0.000 0.864 111 A CB -0.270 18.737 19.000 0.012 0.000 0.902 111 A HN 1.432 nan 8.150 nan 0.000 0.499 112 G N -1.059 107.746 108.800 0.007 0.000 2.143 112 G HA2 -0.193 3.767 3.960 0.000 0.000 0.248 112 G HA3 -0.193 3.767 3.960 0.000 0.000 0.248 112 G C -0.036 174.867 174.900 0.005 0.000 0.991 112 G CA 0.310 45.414 45.100 0.006 0.000 0.689 112 G HN 0.356 nan 8.290 nan 0.000 0.522 113 L N 0.886 122.112 121.223 0.005 0.000 2.464 113 L HA 0.485 4.825 4.340 0.000 0.000 0.264 113 L C -1.304 175.568 176.870 0.003 0.000 1.199 113 L CA -1.432 53.409 54.840 0.003 0.000 0.818 113 L CB 0.073 42.133 42.059 0.002 0.000 1.102 113 L HN -0.060 nan 8.230 nan 0.000 0.473 114 P HA 0.038 nan 4.420 nan 0.000 0.268 114 P C 0.805 178.107 177.300 0.003 0.000 1.208 114 P CA -0.057 63.044 63.100 0.002 0.000 0.777 114 P CB 0.307 32.007 31.700 0.000 0.000 0.875 115 I N -0.360 120.212 120.570 0.004 0.000 2.916 115 I HA -0.153 4.017 4.170 0.000 0.000 0.267 115 I C 1.349 177.469 176.117 0.005 0.000 1.263 115 I CA 1.412 62.715 61.300 0.005 0.000 1.471 115 I CB -0.951 37.052 38.000 0.004 0.000 1.089 115 I HN 0.163 nan 8.210 nan 0.000 0.468 116 S N -0.602 115.100 115.700 0.003 0.000 2.603 116 S HA 0.090 4.560 4.470 0.000 0.000 0.220 116 S C 0.849 175.451 174.600 0.003 0.000 0.967 116 S CA -0.144 58.058 58.200 0.003 0.000 0.920 116 S CB -1.014 62.187 63.200 0.001 0.000 0.773 116 S HN 0.450 nan 8.310 nan 0.000 0.529 117 T N 5.109 119.665 114.554 0.003 0.000 2.739 117 T HA 0.399 4.749 4.350 0.000 0.000 0.298 117 T C -2.668 172.037 174.700 0.009 0.000 0.929 117 T CA -1.178 60.923 62.100 0.001 0.000 1.014 117 T CB 0.773 69.640 68.868 -0.002 0.000 0.914 117 T HN 0.202 nan 8.240 nan 0.000 0.509 118 P HA 0.346 nan 4.420 nan 0.000 0.271 118 P C -0.779 176.551 177.300 0.050 0.000 1.216 118 P CA -0.470 62.650 63.100 0.033 0.000 0.776 118 P CB 0.416 32.140 31.700 0.039 0.000 0.881 119 C N 1.551 120.895 119.300 0.073 0.000 2.698 119 C HA 0.710 5.170 4.460 0.000 0.000 0.309 119 C C -0.418 174.646 174.990 0.123 0.000 1.186 119 C CA -0.202 58.876 59.018 0.101 0.000 1.474 119 C CB 1.801 29.578 27.740 0.063 0.000 2.020 119 C HN 0.496 nan 8.230 nan 0.000 0.474 120 T N 1.700 116.360 114.554 0.177 0.000 2.971 120 T HA 0.490 4.840 4.350 0.000 0.000 0.304 120 T C -0.587 174.142 174.700 0.048 0.000 1.038 120 T CA -0.301 61.849 62.100 0.084 0.000 1.007 120 T CB 1.722 70.589 68.868 -0.002 0.000 1.055 120 T HN 0.652 nan 8.240 nan 0.000 0.451 121 T N 4.059 118.613 114.554 -0.001 0.000 2.767 121 T HA 0.538 4.888 4.350 0.000 0.000 0.284 121 T C -0.075 174.597 174.700 -0.046 0.000 0.973 121 T CA -0.696 61.399 62.100 -0.008 0.000 0.996 121 T CB 0.380 69.246 68.868 -0.002 0.000 0.927 121 T HN 0.319 nan 8.240 nan 0.000 0.456 122 I N 3.725 124.268 120.570 -0.045 0.000 2.412 122 I HA 0.423 4.593 4.170 0.000 0.000 0.296 122 I C 0.130 176.221 176.117 -0.043 0.000 0.987 122 I CA -0.949 60.311 61.300 -0.067 0.000 1.180 122 I CB 1.500 39.452 38.000 -0.080 0.000 1.340 122 I HN 0.560 nan 8.210 nan 0.000 0.455 123 N N 5.305 123.978 118.700 -0.045 0.000 2.664 123 N HA 0.187 4.927 4.740 0.000 0.000 0.257 123 N C -0.452 175.039 175.510 -0.030 0.000 1.108 123 N CA -0.246 52.783 53.050 -0.035 0.000 0.822 123 N CB 0.905 39.371 38.487 -0.034 0.000 1.199 123 N HN 0.573 nan 8.380 nan 0.000 0.529 124 K N 3.753 124.138 120.400 -0.024 0.000 2.832 124 K HA 0.228 4.548 4.320 0.000 0.000 0.211 124 K C 0.193 176.784 176.600 -0.014 0.000 1.112 124 K CA -0.369 55.910 56.287 -0.014 0.000 1.108 124 K CB -0.124 32.372 32.500 -0.007 0.000 0.899 124 K HN 0.310 nan 8.250 nan 0.000 0.464 125 V N -1.349 118.548 119.914 -0.029 0.000 0.690 125 V HA -0.576 3.544 4.120 0.000 0.000 0.092 125 V C 1.674 177.749 176.094 -0.031 0.000 0.781 125 V CA 1.722 63.995 62.300 -0.046 0.000 3.099 125 V CB -1.751 30.035 31.823 -0.062 0.000 0.189 125 V HN 0.596 nan 8.190 nan 0.000 0.087 126 C N 1.047 120.335 119.300 -0.021 0.000 2.419 126 C HA 0.246 4.706 4.460 0.000 0.000 0.283 126 C C 2.603 177.635 174.990 0.071 0.000 1.373 126 C CA 0.814 59.857 59.018 0.042 0.000 1.781 126 C CB -2.000 25.798 27.740 0.097 0.000 1.886 126 C HN 1.143 nan 8.230 nan 0.000 0.520 127 A N 0.712 123.557 122.820 0.042 0.000 2.251 127 A HA 0.115 4.435 4.320 0.000 0.000 0.209 127 A C 2.089 179.688 177.584 0.024 0.000 1.187 127 A CA 0.888 52.951 52.037 0.043 0.000 0.823 127 A CB -0.427 18.598 19.000 0.042 0.000 0.846 127 A HN 0.502 nan 8.150 nan 0.000 0.486 128 S N 0.252 115.961 115.700 0.014 0.000 2.359 128 S HA -0.148 4.322 4.470 0.000 0.000 0.224 128 S C 2.114 176.718 174.600 0.007 0.000 1.035 128 S CA 1.509 59.709 58.200 0.000 0.000 1.018 128 S CB -0.603 62.591 63.200 -0.010 0.000 0.876 128 S HN 0.755 nan 8.310 nan 0.000 0.448 129 G N 1.086 109.898 108.800 0.021 0.000 2.442 129 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 129 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 129 G C 1.387 176.297 174.900 0.017 0.000 1.141 129 G CA 0.999 46.115 45.100 0.026 0.000 0.763 129 G HN 0.440 nan 8.290 nan 0.000 0.554 130 M N -0.288 119.321 119.600 0.015 0.000 2.156 130 M HA 0.076 4.556 4.480 0.000 0.000 0.264 130 M C 2.509 178.780 176.300 -0.047 0.000 1.067 130 M CA 1.714 57.010 55.300 -0.007 0.000 1.131 130 M CB -0.007 32.600 32.600 0.012 0.000 1.368 130 M HN 0.166 nan 8.290 nan 0.000 0.416 131 K N 0.809 121.188 120.400 -0.034 0.000 2.103 131 K HA -0.073 4.247 4.320 0.000 0.000 0.207 131 K C 1.669 178.232 176.600 -0.061 0.000 1.048 131 K CA 1.796 58.049 56.287 -0.058 0.000 0.930 131 K CB -0.579 31.901 32.500 -0.035 0.000 0.716 131 K HN 0.437 nan 8.250 nan 0.000 0.444 132 A N 0.577 123.386 122.820 -0.019 0.000 1.877 132 A HA -0.128 4.192 4.320 0.000 0.000 0.216 132 A C 2.234 179.859 177.584 0.069 0.000 1.186 132 A CA 1.798 53.865 52.037 0.050 0.000 0.620 132 A CB -0.671 18.375 19.000 0.077 0.000 0.822 132 A HN 0.338 nan 8.150 nan 0.000 0.443 133 I N -0.740 119.820 120.570 -0.017 0.000 2.179 133 I HA -0.335 3.835 4.170 0.000 0.000 0.242 133 I C 2.743 178.741 176.117 -0.198 0.000 1.088 133 I CA 1.767 63.024 61.300 -0.071 0.000 1.357 133 I CB -0.371 37.585 38.000 -0.072 0.000 1.051 133 I HN 0.347 nan 8.210 nan 0.000 0.409 134 M N -0.396 118.990 119.600 -0.356 0.000 2.080 134 M HA -0.253 4.227 4.480 0.000 0.000 0.260 134 M C 2.430 178.482 176.300 -0.414 0.000 1.068 134 M CA 2.051 56.873 55.300 -0.797 0.000 1.109 134 M CB -0.419 31.728 32.600 -0.756 0.000 1.342 134 M HN 0.192 nan 8.290 nan 0.000 0.405 135 M N -0.281 119.247 119.600 -0.121 0.000 2.175 135 M HA -0.105 4.375 4.480 0.000 0.000 0.264 135 M C 2.473 178.929 176.300 0.261 0.000 1.063 135 M CA 1.560 56.900 55.300 0.066 0.000 1.119 135 M CB -0.565 32.034 32.600 -0.002 0.000 1.377 135 M HN 0.376 nan 8.290 nan 0.000 0.415 136 A N -0.209 122.769 122.820 0.263 0.000 1.902 136 A HA -0.140 4.180 4.320 0.000 0.000 0.217 136 A C 2.294 179.890 177.584 0.019 0.000 1.181 136 A CA 2.103 54.178 52.037 0.064 0.000 0.623 136 A CB -0.794 18.154 19.000 -0.086 0.000 0.818 136 A HN 0.434 nan 8.150 nan 0.000 0.443 137 S N -0.262 115.437 115.700 -0.001 0.000 2.368 137 S HA -0.226 4.244 4.470 0.000 0.000 0.225 137 S C 2.092 176.770 174.600 0.131 0.000 1.030 137 S CA 1.647 59.879 58.200 0.054 0.000 0.999 137 S CB -0.353 62.883 63.200 0.059 0.000 0.844 137 S HN 0.713 nan 8.310 nan 0.000 0.459 138 Q N 0.532 120.429 119.800 0.162 0.000 2.124 138 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 138 Q C 2.453 178.500 176.000 0.077 0.000 0.977 138 Q CA 1.429 57.330 55.803 0.164 0.000 0.850 138 Q CB -0.280 28.568 28.738 0.183 0.000 0.901 138 Q HN 0.489 nan 8.270 nan 0.000 0.429 139 S N 0.441 116.198 115.700 0.096 0.000 2.356 139 S HA -0.112 4.358 4.470 0.000 0.000 0.223 139 S C 1.892 176.492 174.600 -0.000 0.000 1.032 139 S CA 0.853 59.098 58.200 0.076 0.000 1.005 139 S CB -0.170 63.102 63.200 0.121 0.000 0.867 139 S HN 0.292 nan 8.310 nan 0.000 0.449 140 L N 0.669 121.896 121.223 0.007 0.000 2.017 140 L HA -0.135 4.205 4.340 0.000 0.000 0.208 140 L C 2.794 179.652 176.870 -0.021 0.000 1.073 140 L CA 1.625 56.462 54.840 -0.006 0.000 0.745 140 L CB -0.549 41.511 42.059 0.001 0.000 0.894 140 L HN 0.384 nan 8.230 nan 0.000 0.432 141 M N -1.126 118.472 119.600 -0.004 0.000 2.106 141 M HA -0.277 4.203 4.480 0.000 0.000 0.259 141 M C 2.365 178.617 176.300 -0.079 0.000 1.068 141 M CA 1.594 56.884 55.300 -0.017 0.000 1.100 141 M CB -0.674 31.939 32.600 0.021 0.000 1.351 141 M HN 0.374 nan 8.290 nan 0.000 0.404 142 C N 0.275 119.475 119.300 -0.167 0.000 2.449 142 C HA 0.060 4.520 4.460 0.000 0.000 0.283 142 C C 1.809 176.604 174.990 -0.325 0.000 1.453 142 C CA 0.777 59.581 59.018 -0.356 0.000 1.779 142 C CB -1.729 25.548 27.740 -0.773 0.000 1.779 142 C HN 0.886 nan 8.230 nan 0.000 0.546 143 G N -0.353 108.350 108.800 -0.161 0.000 2.160 143 G HA2 -0.298 3.662 3.960 0.000 0.000 0.251 143 G HA3 -0.298 3.662 3.960 0.000 0.000 0.251 143 G C 0.328 175.263 174.900 0.058 0.000 1.008 143 G CA 0.785 45.860 45.100 -0.042 0.000 0.724 143 G HN 0.754 nan 8.290 nan 0.000 0.514 144 H N -0.837 118.243 119.070 0.017 0.000 2.470 144 H HA 0.145 4.701 4.556 -0.000 0.000 0.289 144 H C 1.229 176.559 175.328 0.004 0.000 1.033 144 H CA 1.048 57.105 56.048 0.016 0.000 1.331 144 H CB 0.286 30.065 29.762 0.028 0.000 1.414 144 H HN 0.384 nan 8.280 nan 0.000 0.545 145 Q N 0.263 120.126 119.800 0.105 0.000 2.456 145 Q HA 0.057 4.397 4.340 0.000 0.000 0.283 145 Q C -0.293 175.714 176.000 0.013 0.000 1.084 145 Q CA -0.312 55.514 55.803 0.037 0.000 0.801 145 Q CB 2.141 30.878 28.738 -0.002 0.000 1.434 145 Q HN 0.349 nan 8.270 nan 0.000 0.419 146 D N -1.232 119.169 120.400 0.001 0.000 2.423 146 D HA 0.108 4.748 4.640 0.000 0.000 0.212 146 D C 0.181 176.471 176.300 -0.016 0.000 1.060 146 D CA 0.332 54.329 54.000 -0.005 0.000 0.872 146 D CB 0.818 41.618 40.800 -0.001 0.000 1.012 146 D HN 0.134 nan 8.370 nan 0.000 0.503 147 V N 0.915 120.815 119.914 -0.025 0.000 2.668 147 V HA 0.508 4.628 4.120 0.000 0.000 0.304 147 V C -0.615 175.445 176.094 -0.056 0.000 1.071 147 V CA -0.568 61.712 62.300 -0.034 0.000 0.894 147 V CB 1.927 33.735 31.823 -0.025 0.000 1.008 147 V HN 0.082 nan 8.190 nan 0.000 0.425 148 M N 3.615 123.172 119.600 -0.072 0.000 2.575 148 M HA 0.661 5.141 4.480 0.000 0.000 0.284 148 M C -1.413 174.833 176.300 -0.091 0.000 1.253 148 M CA -0.848 54.384 55.300 -0.113 0.000 0.861 148 M CB 2.822 35.309 32.600 -0.188 0.000 1.733 148 M HN 0.351 nan 8.290 nan 0.000 0.462 149 V N 1.441 121.298 119.914 -0.095 0.000 2.483 149 V HA 0.899 5.019 4.120 0.000 0.000 0.295 149 V C -0.396 175.660 176.094 -0.064 0.000 1.035 149 V CA -0.536 61.728 62.300 -0.058 0.000 0.896 149 V CB 1.384 33.189 31.823 -0.030 0.000 0.986 149 V HN 0.917 nan 8.190 nan 0.000 0.447 150 A N 3.032 125.835 122.820 -0.029 0.000 2.475 150 A HA 1.044 5.364 4.320 0.000 0.000 0.301 150 A C 0.025 177.624 177.584 0.024 0.000 1.059 150 A CA 0.124 52.166 52.037 0.009 0.000 0.710 150 A CB 2.126 21.130 19.000 0.007 0.000 1.288 150 A HN 1.414 nan 8.150 nan 0.000 0.408 151 G N -0.610 108.216 108.800 0.043 0.000 2.435 151 G HA2 0.718 4.678 3.960 0.000 0.000 0.228 151 G HA3 0.718 4.678 3.960 0.000 0.000 0.228 151 G C -0.292 174.633 174.900 0.041 0.000 1.198 151 G CA 0.446 45.570 45.100 0.039 0.000 0.948 151 G HN 1.999 nan 8.290 nan 0.000 0.487 152 G N -0.702 108.121 108.800 0.038 0.000 2.677 152 G HA2 0.759 4.719 3.960 0.000 0.000 0.291 152 G HA3 0.759 4.719 3.960 0.000 0.000 0.291 152 G C -0.807 174.110 174.900 0.028 0.000 1.435 152 G CA 0.073 45.192 45.100 0.032 0.000 0.826 152 G HN 1.591 nan 8.290 nan 0.000 0.491 153 M N -0.386 119.225 119.600 0.019 0.000 2.414 153 M HA 0.891 5.371 4.480 0.000 0.000 0.287 153 M C -1.992 174.310 176.300 0.003 0.000 1.181 153 M CA -0.908 54.401 55.300 0.015 0.000 0.933 153 M CB 2.716 35.326 32.600 0.017 0.000 1.732 153 M HN 0.484 nan 8.290 nan 0.000 0.486 154 E N 0.929 121.130 120.200 0.002 0.000 2.388 154 E HA 0.466 4.816 4.350 0.000 0.000 0.289 154 E C -1.946 174.656 176.600 0.004 0.000 0.944 154 E CA -0.127 56.268 56.400 -0.009 0.000 0.792 154 E CB 2.450 32.131 29.700 -0.032 0.000 1.239 154 E HN 0.717 nan 8.360 nan 0.000 0.412 155 S N 5.098 120.801 115.700 0.006 0.000 2.406 155 S HA 0.282 4.752 4.470 0.000 0.000 0.224 155 S C 0.687 175.310 174.600 0.039 0.000 1.426 155 S CA -0.380 57.832 58.200 0.020 0.000 1.179 155 S CB 0.082 63.287 63.200 0.009 0.000 1.042 155 S HN 0.699 nan 8.310 nan 0.000 0.479 156 M N 1.912 121.558 119.600 0.077 0.000 2.296 156 M HA -0.041 4.439 4.480 0.000 0.000 0.265 156 M C 2.197 178.668 176.300 0.285 0.000 1.064 156 M CA 0.984 56.367 55.300 0.139 0.000 1.109 156 M CB -0.375 32.287 32.600 0.103 0.000 1.396 156 M HN 0.541 nan 8.290 nan 0.000 0.430 157 S N 0.875 116.685 115.700 0.183 0.000 2.383 157 S HA -0.080 4.390 4.470 0.000 0.000 0.229 157 S C 1.413 175.984 174.600 -0.049 0.000 1.030 157 S CA 1.100 59.261 58.200 -0.065 0.000 1.002 157 S CB -0.298 62.817 63.200 -0.141 0.000 0.829 157 S HN 0.503 nan 8.310 nan 0.000 0.467 158 N N 0.998 119.696 118.700 -0.003 0.000 2.230 158 N HA 0.151 4.891 4.740 0.000 0.000 0.202 158 N C -0.467 175.037 175.510 -0.009 0.000 1.119 158 N CA 0.074 53.116 53.050 -0.013 0.000 0.851 158 N CB 0.527 39.007 38.487 -0.013 0.000 0.990 158 N HN 0.155 nan 8.380 nan 0.000 0.497 159 V N 4.062 123.975 119.914 -0.003 0.000 2.572 159 V HA 0.122 4.242 4.120 0.000 0.000 0.291 159 V C -1.478 174.557 176.094 -0.099 0.000 1.039 159 V CA -0.730 61.546 62.300 -0.041 0.000 1.055 159 V CB 0.881 32.678 31.823 -0.044 0.000 0.969 159 V HN 0.138 nan 8.190 nan 0.000 0.482 160 P HA 0.400 nan 4.420 nan 0.000 0.297 160 P C -1.327 175.844 177.300 -0.215 0.000 1.307 160 P CA -0.633 62.412 63.100 -0.091 0.000 0.773 160 P CB 0.843 32.548 31.700 0.008 0.000 1.265 161 Y N -1.210 119.102 120.300 0.021 0.000 2.403 161 Y HA 0.438 4.988 4.550 0.000 0.000 0.323 161 Y C 0.679 176.585 175.900 0.009 0.000 1.226 161 Y CA -0.473 57.637 58.100 0.017 0.000 1.235 161 Y CB 1.315 39.785 38.460 0.017 0.000 1.248 161 Y HN 0.096 nan 8.280 nan 0.000 0.489 162 V N 0.655 120.665 119.914 0.160 0.000 2.680 162 V HA 0.632 4.752 4.120 0.000 0.000 0.309 162 V C -0.667 175.473 176.094 0.076 0.000 1.052 162 V CA -1.159 61.193 62.300 0.088 0.000 0.908 162 V CB 1.871 33.721 31.823 0.045 0.000 1.001 162 V HN 0.864 nan 8.190 nan 0.000 0.431 163 M N 3.543 123.174 119.600 0.051 0.000 2.311 163 M HA 0.517 4.997 4.480 0.000 0.000 0.325 163 M C -0.353 175.962 176.300 0.023 0.000 1.061 163 M CA -0.356 54.964 55.300 0.033 0.000 0.957 163 M CB 1.430 34.044 32.600 0.025 0.000 1.646 163 M HN 0.924 nan 8.290 nan 0.000 0.434 164 N N 3.087 121.798 118.700 0.019 0.000 2.479 164 N HA 0.102 4.842 4.740 0.000 0.000 0.257 164 N C -0.572 174.945 175.510 0.012 0.000 1.232 164 N CA -0.164 52.894 53.050 0.014 0.000 0.920 164 N CB 0.752 39.247 38.487 0.013 0.000 1.105 164 N HN 0.543 nan 8.380 nan 0.000 0.444 165 R N 1.098 121.604 120.500 0.011 0.000 2.543 165 R HA 0.332 4.672 4.340 0.000 0.000 0.277 165 R C 0.451 176.757 176.300 0.010 0.000 1.074 165 R CA 0.524 56.630 56.100 0.010 0.000 1.076 165 R CB 0.188 30.493 30.300 0.008 0.000 0.993 165 R HN 0.792 nan 8.270 nan 0.000 0.459 166 G N 1.245 110.052 108.800 0.010 0.000 2.306 166 G HA2 -0.169 3.791 3.960 0.000 0.000 0.262 166 G HA3 -0.169 3.791 3.960 0.000 0.000 0.262 166 G C -1.232 173.675 174.900 0.013 0.000 1.263 166 G CA -0.612 44.495 45.100 0.011 0.000 1.088 166 G HN 0.593 nan 8.290 nan 0.000 0.489 167 S N 0.926 116.635 115.700 0.015 0.000 2.548 167 S HA 0.537 5.007 4.470 0.000 0.000 0.277 167 S C 0.898 175.511 174.600 0.022 0.000 1.315 167 S CA 0.494 58.706 58.200 0.019 0.000 1.050 167 S CB 0.707 63.920 63.200 0.022 0.000 0.918 167 S HN 1.440 nan 8.310 nan 0.000 0.497 168 T N 2.888 117.456 114.554 0.023 0.000 2.817 168 T HA 0.331 4.681 4.350 0.000 0.000 0.295 168 T C -2.532 172.190 174.700 0.037 0.000 0.958 168 T CA -1.419 60.694 62.100 0.022 0.000 1.157 168 T CB -0.213 68.665 68.868 0.016 0.000 0.898 168 T HN 0.234 nan 8.240 nan 0.000 0.536 169 P HA 0.169 nan 4.420 nan 0.000 0.276 169 P C -0.495 176.848 177.300 0.072 0.000 1.230 169 P CA -0.735 62.400 63.100 0.059 0.000 0.776 169 P CB 0.203 31.927 31.700 0.040 0.000 0.888 170 Y N 2.187 122.488 120.300 0.002 0.000 2.805 170 Y HA 0.227 4.777 4.550 0.000 0.000 0.337 170 Y C 1.684 177.585 175.900 0.001 0.000 1.252 170 Y CA 2.013 60.114 58.100 0.001 0.000 1.515 170 Y CB -0.068 38.393 38.460 0.001 0.000 1.305 170 Y HN 0.830 nan 8.280 nan 0.000 0.600 171 G N 2.043 110.386 108.800 -0.761 0.000 2.199 171 G HA2 0.101 4.061 3.960 0.000 0.000 0.254 171 G HA3 0.101 4.061 3.960 0.000 0.000 0.254 171 G C 0.342 175.099 174.900 -0.239 0.000 0.982 171 G CA 0.038 44.825 45.100 -0.521 0.000 0.632 171 G HN 2.116 nan 8.290 nan 0.000 0.529 172 G N -2.507 106.193 108.800 -0.166 0.000 2.326 172 G HA2 0.500 4.460 3.960 0.000 0.000 0.413 172 G HA3 0.500 4.460 3.960 0.000 0.000 0.413 172 G C -1.144 173.725 174.900 -0.051 0.000 1.444 172 G CA 0.143 45.185 45.100 -0.096 0.000 1.002 172 G HN 1.416 nan 8.290 nan 0.000 0.649 173 V N 1.861 121.752 119.914 -0.038 0.000 2.588 173 V HA 0.651 4.771 4.120 0.000 0.000 0.304 173 V C 0.078 176.162 176.094 -0.016 0.000 1.042 173 V CA -1.078 61.210 62.300 -0.020 0.000 0.877 173 V CB 1.956 33.769 31.823 -0.016 0.000 0.996 173 V HN 0.988 nan 8.190 nan 0.000 0.425 174 K N 5.074 125.472 120.400 -0.003 0.000 2.172 174 K HA 0.506 4.826 4.320 0.000 0.000 0.276 174 K C -1.216 175.393 176.600 0.016 0.000 1.013 174 K CA -0.519 55.770 56.287 0.005 0.000 0.913 174 K CB 2.022 34.530 32.500 0.014 0.000 1.055 174 K HN 0.425 nan 8.250 nan 0.000 0.461 175 L N 3.426 124.659 121.223 0.018 0.000 2.301 175 L HA 0.286 4.626 4.340 0.000 0.000 0.278 175 L C -0.031 176.914 176.870 0.126 0.000 1.022 175 L CA -0.303 54.565 54.840 0.048 0.000 0.854 175 L CB 0.989 43.035 42.059 -0.020 0.000 1.226 175 L HN 0.759 nan 8.230 nan 0.000 0.429 176 E N 1.771 122.053 120.200 0.138 0.000 2.343 176 E HA 0.063 4.413 4.350 0.000 0.000 0.269 176 E C -0.435 176.291 176.600 0.210 0.000 1.047 176 E CA -0.412 56.077 56.400 0.147 0.000 0.874 176 E CB 1.518 31.261 29.700 0.071 0.000 1.033 176 E HN 0.326 nan 8.360 nan 0.000 0.409 177 D N 2.954 123.450 120.400 0.159 0.000 2.317 177 D HA 0.034 4.674 4.640 0.000 0.000 0.252 177 D C 0.780 177.027 176.300 -0.089 0.000 1.174 177 D CA 0.079 54.047 54.000 -0.053 0.000 0.866 177 D CB 0.968 41.763 40.800 -0.009 0.000 1.127 177 D HN 0.447 nan 8.370 nan 0.000 0.467 178 L N 4.172 125.306 121.223 -0.149 0.000 2.201 178 L HA -0.113 4.227 4.340 0.000 0.000 0.212 178 L C 2.280 179.090 176.870 -0.100 0.000 1.105 178 L CA 0.422 55.204 54.840 -0.097 0.000 0.775 178 L CB -0.098 41.908 42.059 -0.087 0.000 0.913 178 L HN 0.558 nan 8.230 nan 0.000 0.440 179 I N -0.762 119.735 120.570 -0.121 0.000 2.151 179 I HA -0.311 3.859 4.170 0.000 0.000 0.243 179 I C 2.401 178.458 176.117 -0.099 0.000 1.080 179 I CA 1.353 62.587 61.300 -0.111 0.000 1.339 179 I CB -0.321 37.606 38.000 -0.121 0.000 1.039 179 I HN 0.036 nan 8.210 nan 0.000 0.409 180 V N 0.658 120.531 119.914 -0.068 0.000 2.323 180 V HA -0.251 3.869 4.120 0.000 0.000 0.244 180 V C 2.470 178.526 176.094 -0.065 0.000 1.041 180 V CA 1.888 64.162 62.300 -0.044 0.000 1.025 180 V CB -0.640 31.196 31.823 0.022 0.000 0.656 180 V HN 0.388 nan 8.190 nan 0.000 0.451 181 K N -0.212 120.157 120.400 -0.052 0.000 2.031 181 K HA -0.171 4.149 4.320 0.000 0.000 0.205 181 K C 1.641 178.196 176.600 -0.076 0.000 1.049 181 K CA 1.862 58.118 56.287 -0.052 0.000 0.939 181 K CB -0.054 32.427 32.500 -0.031 0.000 0.717 181 K HN 0.410 nan 8.250 nan 0.000 0.438 182 D N -1.253 119.099 120.400 -0.080 0.000 2.338 182 D HA 0.044 4.684 4.640 0.000 0.000 0.208 182 D C 1.609 177.845 176.300 -0.106 0.000 0.997 182 D CA 0.804 54.753 54.000 -0.086 0.000 0.880 182 D CB 0.344 41.101 40.800 -0.071 0.000 0.980 182 D HN 0.399 nan 8.370 nan 0.000 0.509 183 G N 0.140 108.869 108.800 -0.119 0.000 2.437 183 G HA2 0.034 3.994 3.960 0.000 0.000 0.212 183 G HA3 0.034 3.994 3.960 0.000 0.000 0.212 183 G C 1.342 176.132 174.900 -0.184 0.000 1.174 183 G CA 0.116 45.130 45.100 -0.143 0.000 0.811 183 G HN 0.219 nan 8.290 nan 0.000 0.537 184 L N 0.454 121.546 121.223 -0.219 0.000 2.966 184 L HA 0.277 4.617 4.340 0.000 0.000 0.262 184 L C -0.007 176.618 176.870 -0.409 0.000 1.165 184 L CA 0.039 54.661 54.840 -0.363 0.000 0.978 184 L CB 1.015 42.788 42.059 -0.477 0.000 1.337 184 L HN -0.069 nan 8.230 nan 0.000 0.563 185 T N 0.134 114.545 114.554 -0.238 0.000 2.749 185 T HA 0.170 4.520 4.350 0.000 0.000 0.287 185 T C -0.518 174.099 174.700 -0.139 0.000 0.970 185 T CA -0.328 61.676 62.100 -0.160 0.000 0.980 185 T CB 1.851 70.662 68.868 -0.095 0.000 0.924 185 T HN -0.013 nan 8.240 nan 0.000 0.456 186 D N 2.554 122.896 120.400 -0.096 0.000 2.417 186 D HA 0.116 4.756 4.640 0.000 0.000 0.250 186 D C 1.248 177.452 176.300 -0.160 0.000 1.166 186 D CA -0.181 53.772 54.000 -0.079 0.000 0.881 186 D CB 0.858 41.682 40.800 0.040 0.000 1.164 186 D HN 0.158 nan 8.370 nan 0.000 0.467 187 V N 4.063 123.749 119.914 -0.379 0.000 2.295 187 V HA -0.283 3.837 4.120 0.000 0.000 0.246 187 V C 1.338 177.151 176.094 -0.469 0.000 1.049 187 V CA 1.624 63.590 62.300 -0.557 0.000 1.024 187 V CB -0.889 30.355 31.823 -0.964 0.000 0.648 187 V HN 0.682 nan 8.190 nan 0.000 0.447 188 Y N 0.128 120.433 120.300 0.008 0.000 2.243 188 Y HA 0.025 4.575 4.550 0.000 0.000 0.293 188 Y C 2.387 178.298 175.900 0.018 0.000 1.124 188 Y CA 0.938 59.046 58.100 0.013 0.000 1.159 188 Y CB -0.551 37.917 38.460 0.015 0.000 1.008 188 Y HN 0.246 nan 8.280 nan 0.000 0.527 189 N N 0.223 119.006 118.700 0.138 0.000 2.373 189 N HA -0.035 4.705 4.740 0.000 0.000 0.181 189 N C 0.080 175.622 175.510 0.053 0.000 1.082 189 N CA 0.465 53.571 53.050 0.095 0.000 0.885 189 N CB 0.130 38.679 38.487 0.104 0.000 0.977 189 N HN 0.112 nan 8.380 nan 0.000 0.462 190 K N 0.530 120.941 120.400 0.019 0.000 3.117 190 K HA -0.147 4.173 4.320 0.000 0.000 0.269 190 K C -0.528 176.093 176.600 0.036 0.000 1.098 190 K CA 0.520 56.812 56.287 0.008 0.000 0.785 190 K CB -1.671 30.837 32.500 0.013 0.000 1.242 190 K HN 0.497 nan 8.250 nan 0.000 0.491 191 I N -5.160 115.440 120.570 0.050 0.000 3.095 191 I HA 0.465 4.635 4.170 0.000 0.000 0.310 191 I C 0.460 176.641 176.117 0.108 0.000 1.196 191 I CA -1.371 59.986 61.300 0.095 0.000 0.985 191 I CB 1.666 39.727 38.000 0.102 0.000 1.250 191 I HN -0.050 nan 8.210 nan 0.000 0.446 192 H N 3.544 122.659 119.070 0.075 0.000 2.852 192 H HA 0.151 4.707 4.556 -0.000 0.000 0.362 192 H C 0.765 176.090 175.328 -0.005 0.000 1.122 192 H CA 0.281 56.368 56.048 0.064 0.000 1.419 192 H CB 1.257 31.126 29.762 0.179 0.000 1.401 192 H HN 0.686 nan 8.280 nan 0.000 0.609 193 M N 3.205 122.793 119.600 -0.020 0.000 2.089 193 M HA -0.150 4.330 4.480 0.000 0.000 0.257 193 M C 2.383 178.684 176.300 0.002 0.000 1.071 193 M CA 1.779 57.147 55.300 0.113 0.000 1.096 193 M CB -1.644 31.013 32.600 0.096 0.000 1.330 193 M HN 0.793 nan 8.290 nan 0.000 0.403 194 G N -0.818 107.833 108.800 -0.249 0.000 2.462 194 G HA2 -0.162 3.798 3.960 0.000 0.000 0.220 194 G HA3 -0.162 3.798 3.960 0.000 0.000 0.220 194 G C 1.739 176.249 174.900 -0.651 0.000 1.121 194 G CA 1.203 45.618 45.100 -1.141 0.000 0.758 194 G HN 0.493 nan 8.290 nan 0.000 0.559 195 S N -0.425 115.126 115.700 -0.248 0.000 2.371 195 S HA -0.121 4.349 4.470 0.000 0.000 0.224 195 S C 2.462 177.029 174.600 -0.055 0.000 1.029 195 S CA 0.995 59.181 58.200 -0.024 0.000 0.978 195 S CB -0.374 62.895 63.200 0.115 0.000 0.833 195 S HN 0.541 nan 8.310 nan 0.000 0.466 196 C N 1.976 121.262 119.300 -0.023 0.000 2.413 196 C HA -0.032 4.428 4.460 0.000 0.000 0.276 196 C C 3.052 177.915 174.990 -0.212 0.000 1.248 196 C CA 0.508 59.516 59.018 -0.016 0.000 1.742 196 C CB -1.551 26.328 27.740 0.232 0.000 2.017 196 C HN 0.669 nan 8.230 nan 0.000 0.481 197 A N 0.727 123.328 122.820 -0.365 0.000 1.917 197 A HA -0.211 4.109 4.320 0.000 0.000 0.219 197 A C 2.065 179.453 177.584 -0.326 0.000 1.182 197 A CA 1.811 53.532 52.037 -0.526 0.000 0.633 197 A CB -0.515 17.961 19.000 -0.872 0.000 0.819 197 A HN 0.619 nan 8.150 nan 0.000 0.448 198 E N 0.061 120.122 120.200 -0.232 0.000 2.130 198 E HA -0.228 4.122 4.350 0.000 0.000 0.196 198 E C 1.843 178.379 176.600 -0.107 0.000 0.998 198 E CA 1.111 57.437 56.400 -0.124 0.000 0.806 198 E CB -0.573 29.095 29.700 -0.054 0.000 0.738 198 E HN 0.758 nan 8.360 nan 0.000 0.459 199 N N 0.267 118.897 118.700 -0.116 0.000 2.120 199 N HA -0.122 4.618 4.740 0.000 0.000 0.188 199 N C 1.533 176.978 175.510 -0.108 0.000 1.024 199 N CA 1.623 54.617 53.050 -0.093 0.000 0.852 199 N CB 0.143 38.581 38.487 -0.081 0.000 1.003 199 N HN 0.083 nan 8.380 nan 0.000 0.424 200 T N 0.619 115.077 114.554 -0.160 0.000 2.851 200 T HA 0.082 4.432 4.350 0.000 0.000 0.262 200 T C 1.975 176.601 174.700 -0.123 0.000 1.043 200 T CA 0.915 62.922 62.100 -0.154 0.000 1.140 200 T CB -0.295 68.440 68.868 -0.222 0.000 0.872 200 T HN 0.374 nan 8.240 nan 0.000 0.446 201 A N 2.084 124.828 122.820 -0.127 0.000 1.892 201 A HA -0.229 4.091 4.320 0.000 0.000 0.218 201 A C 2.196 179.742 177.584 -0.065 0.000 1.188 201 A CA 2.265 54.248 52.037 -0.090 0.000 0.631 201 A CB -0.622 18.330 19.000 -0.081 0.000 0.822 201 A HN 0.508 nan 8.150 nan 0.000 0.447 202 K N -0.299 120.065 120.400 -0.061 0.000 1.991 202 K HA -0.193 4.127 4.320 0.000 0.000 0.212 202 K C 2.113 178.687 176.600 -0.043 0.000 1.049 202 K CA 1.840 58.101 56.287 -0.044 0.000 0.932 202 K CB -0.254 32.223 32.500 -0.039 0.000 0.717 202 K HN 0.426 nan 8.250 nan 0.000 0.441 203 K N 0.225 120.594 120.400 -0.052 0.000 2.063 203 K HA -0.097 4.223 4.320 0.000 0.000 0.208 203 K C 1.786 178.359 176.600 -0.045 0.000 1.048 203 K CA 1.385 57.645 56.287 -0.045 0.000 0.928 203 K CB -0.014 32.456 32.500 -0.050 0.000 0.713 203 K HN 0.251 nan 8.250 nan 0.000 0.442 204 L N 0.463 121.653 121.223 -0.056 0.000 2.667 204 L HA 0.120 4.460 4.340 0.000 0.000 0.232 204 L C -0.677 176.164 176.870 -0.049 0.000 1.138 204 L CA -0.289 54.518 54.840 -0.055 0.000 0.921 204 L CB -0.385 41.632 42.059 -0.071 0.000 1.180 204 L HN 0.204 nan 8.230 nan 0.000 0.487 205 N N 1.325 120.000 118.700 -0.042 0.000 2.667 205 N HA -0.196 4.544 4.740 0.000 0.000 0.263 205 N C -0.757 174.732 175.510 -0.035 0.000 1.038 205 N CA 0.576 53.605 53.050 -0.034 0.000 0.749 205 N CB -1.100 37.371 38.487 -0.027 0.000 0.892 205 N HN 0.314 nan 8.380 nan 0.000 0.546 206 I N 0.234 120.780 120.570 -0.040 0.000 2.359 206 I HA 0.495 4.665 4.170 0.000 0.000 0.284 206 I C 0.803 176.905 176.117 -0.024 0.000 1.018 206 I CA -0.681 60.596 61.300 -0.037 0.000 1.173 206 I CB 1.119 39.086 38.000 -0.055 0.000 1.326 206 I HN 0.333 nan 8.210 nan 0.000 0.462 207 A N 5.160 127.972 122.820 -0.012 0.000 2.257 207 A HA 0.411 4.731 4.320 0.000 0.000 0.289 207 A C 1.392 178.983 177.584 0.011 0.000 1.095 207 A CA -0.427 51.609 52.037 -0.001 0.000 0.836 207 A CB 0.577 19.577 19.000 0.000 0.000 1.111 207 A HN 0.833 nan 8.150 nan 0.000 0.497 208 R N 0.963 121.474 120.500 0.018 0.000 2.119 208 R HA -0.229 4.111 4.340 0.000 0.000 0.246 208 R C 1.739 178.061 176.300 0.037 0.000 1.146 208 R CA 2.921 59.040 56.100 0.032 0.000 0.962 208 R CB -0.573 29.746 30.300 0.032 0.000 0.863 208 R HN 0.912 nan 8.270 nan 0.000 0.442 209 N N 0.297 119.013 118.700 0.026 0.000 2.106 209 N HA -0.226 4.514 4.740 0.000 0.000 0.188 209 N C 1.671 177.200 175.510 0.031 0.000 1.029 209 N CA 1.857 54.922 53.050 0.025 0.000 0.848 209 N CB -0.697 37.800 38.487 0.016 0.000 1.007 209 N HN 0.557 nan 8.380 nan 0.000 0.423 210 E N 0.802 121.020 120.200 0.030 0.000 2.058 210 E HA -0.210 4.140 4.350 0.000 0.000 0.194 210 E C 2.026 178.671 176.600 0.075 0.000 0.997 210 E CA 1.200 57.624 56.400 0.041 0.000 0.801 210 E CB 0.021 29.734 29.700 0.021 0.000 0.746 210 E HN 0.487 nan 8.360 nan 0.000 0.450 211 Q N 0.210 120.050 119.800 0.067 0.000 2.077 211 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 211 Q C 1.937 178.021 176.000 0.139 0.000 0.989 211 Q CA 1.673 57.537 55.803 0.101 0.000 0.853 211 Q CB -0.165 28.621 28.738 0.080 0.000 0.907 211 Q HN 0.310 nan 8.270 nan 0.000 0.418 212 D N 0.387 120.844 120.400 0.096 0.000 2.117 212 D HA -0.110 4.530 4.640 0.000 0.000 0.197 212 D C 1.800 178.125 176.300 0.042 0.000 0.987 212 D CA 1.335 55.381 54.000 0.076 0.000 0.829 212 D CB -0.254 40.575 40.800 0.049 0.000 0.961 212 D HN 0.276 nan 8.370 nan 0.000 0.460 213 A N 0.027 122.870 122.820 0.038 0.000 1.877 213 A HA -0.237 4.083 4.320 0.000 0.000 0.216 213 A C 2.226 179.817 177.584 0.012 0.000 1.186 213 A CA 1.424 53.463 52.037 0.002 0.000 0.620 213 A CB -1.194 17.817 19.000 0.018 0.000 0.822 213 A HN 0.349 nan 8.150 nan 0.000 0.443 214 Y N 0.604 120.898 120.300 -0.010 0.000 2.128 214 Y HA -0.166 4.384 4.550 -0.000 0.000 0.284 214 Y C 2.711 178.619 175.900 0.013 0.000 1.154 214 Y CA 1.562 59.661 58.100 -0.001 0.000 1.149 214 Y CB -0.515 37.949 38.460 0.007 0.000 0.976 214 Y HN 0.332 nan 8.280 nan 0.000 0.505 215 A N 0.375 123.290 122.820 0.159 0.000 1.892 215 A HA -0.237 4.083 4.320 0.000 0.000 0.218 215 A C 2.287 179.942 177.584 0.118 0.000 1.188 215 A CA 2.250 54.381 52.037 0.157 0.000 0.631 215 A CB -1.240 17.906 19.000 0.243 0.000 0.822 215 A HN 0.589 nan 8.150 nan 0.000 0.447 216 I N -0.077 120.463 120.570 -0.050 0.000 2.226 216 I HA -0.285 3.885 4.170 0.000 0.000 0.245 216 I C 2.415 178.405 176.117 -0.211 0.000 1.100 216 I CA 1.678 62.780 61.300 -0.330 0.000 1.374 216 I CB -0.436 37.168 38.000 -0.660 0.000 1.057 216 I HN 0.588 nan 8.210 nan 0.000 0.413 217 N N 0.237 118.809 118.700 -0.214 0.000 2.069 217 N HA -0.260 4.480 4.740 0.000 0.000 0.191 217 N C 1.938 177.318 175.510 -0.218 0.000 1.031 217 N CA 2.080 54.994 53.050 -0.227 0.000 0.852 217 N CB -0.205 38.092 38.487 -0.317 0.000 1.018 217 N HN 0.202 nan 8.380 nan 0.000 0.423 218 S N -1.292 114.220 115.700 -0.314 0.000 2.353 218 S HA -0.167 4.303 4.470 0.000 0.000 0.222 218 S C 1.765 176.313 174.600 -0.087 0.000 1.035 218 S CA 1.238 59.289 58.200 -0.248 0.000 1.025 218 S CB -0.742 62.292 63.200 -0.276 0.000 0.902 218 S HN 0.517 nan 8.310 nan 0.000 0.440 219 Y N 1.967 122.298 120.300 0.052 0.000 2.165 219 Y HA -0.136 4.414 4.550 -0.000 0.000 0.286 219 Y C 2.996 179.016 175.900 0.199 0.000 1.155 219 Y CA 1.851 60.072 58.100 0.202 0.000 1.164 219 Y CB -1.191 37.502 38.460 0.388 0.000 0.978 219 Y HN 0.296 nan 8.280 nan 0.000 0.513 220 T N -0.154 114.583 114.554 0.305 0.000 2.674 220 T HA -0.192 4.158 4.350 0.000 0.000 0.265 220 T C 1.943 176.712 174.700 0.114 0.000 1.039 220 T CA 1.629 63.861 62.100 0.221 0.000 1.150 220 T CB -0.264 68.679 68.868 0.125 0.000 0.864 220 T HN 0.288 nan 8.240 nan 0.000 0.427 221 R N 0.953 121.479 120.500 0.043 0.000 2.083 221 R HA -0.061 4.279 4.340 0.000 0.000 0.237 221 R C 2.986 179.295 176.300 0.015 0.000 1.137 221 R CA 1.589 57.694 56.100 0.010 0.000 0.951 221 R CB -0.509 29.776 30.300 -0.026 0.000 0.851 221 R HN 0.264 nan 8.270 nan 0.000 0.434 222 S N 0.864 116.573 115.700 0.016 0.000 2.351 222 S HA -0.204 4.266 4.470 0.000 0.000 0.220 222 S C 1.809 176.330 174.600 -0.130 0.000 1.035 222 S CA 1.324 59.518 58.200 -0.011 0.000 1.031 222 S CB -0.207 62.977 63.200 -0.027 0.000 0.928 222 S HN 0.310 nan 8.310 nan 0.000 0.433 223 K N 1.212 121.511 120.400 -0.169 0.000 2.020 223 K HA -0.183 4.137 4.320 0.000 0.000 0.212 223 K C 2.302 178.927 176.600 0.041 0.000 1.050 223 K CA 1.415 57.638 56.287 -0.108 0.000 0.929 223 K CB -0.449 32.149 32.500 0.163 0.000 0.714 223 K HN 0.306 nan 8.250 nan 0.000 0.443 224 A N 0.968 123.819 122.820 0.051 0.000 1.892 224 A HA -0.203 4.117 4.320 0.000 0.000 0.218 224 A C 2.334 179.926 177.584 0.013 0.000 1.188 224 A CA 2.330 54.392 52.037 0.042 0.000 0.631 224 A CB -0.916 18.100 19.000 0.027 0.000 0.822 224 A HN 0.535 nan 8.150 nan 0.000 0.447 225 A N -1.866 120.939 122.820 -0.025 0.000 1.877 225 A HA -0.143 4.177 4.320 0.000 0.000 0.216 225 A C 2.025 179.531 177.584 -0.130 0.000 1.186 225 A CA 1.346 53.284 52.037 -0.165 0.000 0.620 225 A CB -0.905 17.930 19.000 -0.276 0.000 0.822 225 A HN 0.747 nan 8.150 nan 0.000 0.443 226 W N 0.255 121.610 121.300 0.092 0.000 2.358 226 W HA -0.105 4.555 4.660 0.000 0.000 0.303 226 W C 2.351 178.928 176.519 0.097 0.000 1.208 226 W CA 1.354 58.802 57.345 0.171 0.000 1.274 226 W CB 0.006 29.487 29.460 0.036 0.000 1.138 226 W HN 0.422 nan 8.180 nan 0.000 0.515 227 E N -0.533 119.837 120.200 0.283 0.000 2.274 227 E HA -0.103 4.247 4.350 0.000 0.000 0.194 227 E C 2.077 178.744 176.600 0.111 0.000 0.996 227 E CA 0.896 57.411 56.400 0.192 0.000 0.840 227 E CB -0.236 29.554 29.700 0.150 0.000 0.772 227 E HN 0.228 nan 8.360 nan 0.000 0.491 228 A N 0.485 123.338 122.820 0.054 0.000 2.169 228 A HA 0.217 4.537 4.320 0.000 0.000 0.212 228 A C 1.740 179.309 177.584 -0.025 0.000 1.153 228 A CA 0.797 52.832 52.037 -0.004 0.000 0.756 228 A CB -0.209 18.760 19.000 -0.052 0.000 0.813 228 A HN 0.301 nan 8.150 nan 0.000 0.471 229 G N -0.238 108.561 108.800 -0.002 0.000 2.147 229 G HA2 -0.261 3.699 3.960 0.000 0.000 0.244 229 G HA3 -0.261 3.699 3.960 0.000 0.000 0.244 229 G C 0.739 175.542 174.900 -0.162 0.000 1.005 229 G CA 0.559 45.649 45.100 -0.018 0.000 0.713 229 G HN 0.356 nan 8.290 nan 0.000 0.515 230 K N -0.601 119.595 120.400 -0.339 0.000 2.442 230 K HA 0.088 4.408 4.320 0.000 0.000 0.198 230 K C 1.124 177.290 176.600 -0.724 0.000 1.042 230 K CA 0.719 56.679 56.287 -0.545 0.000 0.958 230 K CB -0.175 31.907 32.500 -0.696 0.000 0.766 230 K HN 0.545 nan 8.250 nan 0.000 0.474 231 F N -0.344 119.346 119.950 -0.434 0.000 2.684 231 F HA 0.256 4.783 4.527 0.000 0.000 0.298 231 F C 1.825 177.447 175.800 -0.298 0.000 1.120 231 F CA -0.520 57.187 58.000 -0.489 0.000 1.332 231 F CB -0.003 38.393 39.000 -1.006 0.000 0.986 231 F HN -0.045 nan 8.300 nan 0.000 0.524 232 G N 0.402 109.144 108.800 -0.097 0.000 2.432 232 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 232 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 232 G C 1.483 176.353 174.900 -0.050 0.000 1.135 232 G CA 0.763 45.844 45.100 -0.032 0.000 0.767 232 G HN 0.291 nan 8.290 nan 0.000 0.550 233 N N -0.396 118.218 118.700 -0.143 0.000 2.205 233 N HA 0.060 4.800 4.740 0.000 0.000 0.201 233 N C 1.603 176.923 175.510 -0.317 0.000 1.128 233 N CA 0.213 53.157 53.050 -0.176 0.000 0.867 233 N CB 0.818 39.214 38.487 -0.152 0.000 0.996 233 N HN 0.554 nan 8.380 nan 0.000 0.503 234 E N 0.686 120.685 120.200 -0.336 0.000 2.057 234 E HA 0.058 4.408 4.350 0.000 0.000 0.190 234 E C -0.075 176.522 176.600 -0.005 0.000 0.969 234 E CA 0.481 56.726 56.400 -0.258 0.000 0.812 234 E CB 0.569 30.224 29.700 -0.075 0.000 0.777 234 E HN -0.157 nan 8.360 nan 0.000 0.455 235 V N 3.203 123.146 119.914 0.048 0.000 2.439 235 V HA 0.261 4.381 4.120 0.000 0.000 0.282 235 V C 0.238 176.399 176.094 0.112 0.000 1.039 235 V CA -0.520 61.846 62.300 0.111 0.000 0.913 235 V CB 1.191 33.141 31.823 0.212 0.000 0.983 235 V HN 0.228 nan 8.190 nan 0.000 0.460 236 I N 3.858 124.486 120.570 0.096 0.000 2.460 236 I HA 0.691 4.861 4.170 0.000 0.000 0.298 236 I C -2.456 173.710 176.117 0.082 0.000 0.989 236 I CA -2.464 58.886 61.300 0.082 0.000 1.173 236 I CB 2.002 40.038 38.000 0.059 0.000 1.338 236 I HN 0.369 nan 8.210 nan 0.000 0.456 237 P HA 0.220 nan 4.420 nan 0.000 0.274 237 P C -0.758 176.564 177.300 0.036 0.000 1.237 237 P CA -0.306 62.828 63.100 0.057 0.000 0.793 237 P CB 1.664 33.395 31.700 0.053 0.000 0.977 238 V N 1.540 121.467 119.914 0.022 0.000 2.487 238 V HA 0.240 4.360 4.120 0.000 0.000 0.298 238 V C 0.308 176.405 176.094 0.004 0.000 1.028 238 V CA -0.353 61.954 62.300 0.013 0.000 0.860 238 V CB 1.626 33.455 31.823 0.009 0.000 0.991 238 V HN 0.508 nan 8.190 nan 0.000 0.427 239 T N 4.794 119.351 114.554 0.005 0.000 2.729 239 T HA 0.354 4.704 4.350 0.000 0.000 0.296 239 T C -0.048 174.650 174.700 -0.004 0.000 0.928 239 T CA -0.117 61.983 62.100 0.000 0.000 1.045 239 T CB 0.846 69.716 68.868 0.003 0.000 0.902 239 T HN 0.370 nan 8.240 nan 0.000 0.500 240 V N 5.072 124.981 119.914 -0.009 0.000 2.364 240 V HA 0.307 4.427 4.120 0.000 0.000 0.272 240 V C 0.583 176.670 176.094 -0.011 0.000 1.036 240 V CA -0.591 61.702 62.300 -0.012 0.000 0.880 240 V CB 1.086 32.899 31.823 -0.018 0.000 0.991 240 V HN 0.887 nan 8.190 nan 0.000 0.460 241 T N 5.144 119.692 114.554 -0.009 0.000 2.758 241 T HA 0.599 4.949 4.350 0.000 0.000 0.285 241 T C -0.283 174.411 174.700 -0.010 0.000 0.981 241 T CA -0.323 61.772 62.100 -0.008 0.000 0.965 241 T CB 1.407 70.272 68.868 -0.005 0.000 0.927 241 T HN 0.361 nan 8.240 nan 0.000 0.448 242 V N 3.617 123.524 119.914 -0.011 0.000 2.604 242 V HA 0.439 4.559 4.120 0.000 0.000 0.305 242 V C 0.303 176.391 176.094 -0.010 0.000 1.043 242 V CA -1.248 61.045 62.300 -0.012 0.000 0.888 242 V CB 2.014 33.829 31.823 -0.015 0.000 0.995 242 V HN 0.749 nan 8.190 nan 0.000 0.429 243 K N 2.234 122.629 120.400 -0.009 0.000 2.447 243 K HA 0.367 4.687 4.320 0.000 0.000 0.281 243 K C 1.295 177.890 176.600 -0.008 0.000 1.031 243 K CA 1.273 57.556 56.287 -0.008 0.000 1.019 243 K CB 0.182 32.678 32.500 -0.007 0.000 0.918 243 K HN 1.103 nan 8.250 nan 0.000 0.476 244 G N 2.692 111.488 108.800 -0.008 0.000 2.640 244 G HA2 -0.260 3.700 3.960 0.000 0.000 0.226 244 G HA3 -0.260 3.700 3.960 0.000 0.000 0.226 244 G C -0.119 174.776 174.900 -0.009 0.000 1.222 244 G CA -0.196 44.900 45.100 -0.008 0.000 0.729 244 G HN 0.594 nan 8.290 nan 0.000 0.516 245 Q N 2.006 121.799 119.800 -0.010 0.000 2.454 245 Q HA 0.453 4.793 4.340 0.000 0.000 0.247 245 Q C -2.170 173.824 176.000 -0.011 0.000 1.028 245 Q CA -1.029 54.767 55.803 -0.012 0.000 0.910 245 Q CB 0.002 28.731 28.738 -0.014 0.000 1.276 245 Q HN 0.429 nan 8.270 nan 0.000 0.489 246 P HA 0.125 nan 4.420 nan 0.000 0.280 246 P C -0.883 176.410 177.300 -0.012 0.000 1.244 246 P CA -0.466 62.628 63.100 -0.011 0.000 0.784 246 P CB 0.495 32.188 31.700 -0.011 0.000 0.913 247 D N 0.885 121.279 120.400 -0.010 0.000 2.506 247 D HA 0.061 4.701 4.640 0.000 0.000 0.234 247 D C -0.128 176.165 176.300 -0.013 0.000 1.143 247 D CA 0.554 54.548 54.000 -0.010 0.000 0.871 247 D CB 0.207 41.003 40.800 -0.007 0.000 1.190 247 D HN -0.026 nan 8.370 nan 0.000 0.459 248 V N 2.711 122.615 119.914 -0.016 0.000 2.398 248 V HA 0.279 4.399 4.120 0.000 0.000 0.286 248 V C 0.154 176.237 176.094 -0.018 0.000 1.026 248 V CA -0.870 61.418 62.300 -0.020 0.000 0.868 248 V CB 1.864 33.671 31.823 -0.026 0.000 0.982 248 V HN 0.224 nan 8.190 nan 0.000 0.443 249 V N 5.694 125.597 119.914 -0.018 0.000 2.311 249 V HA 0.292 4.412 4.120 0.000 0.000 0.275 249 V C 0.022 176.101 176.094 -0.025 0.000 1.022 249 V CA -0.550 61.742 62.300 -0.014 0.000 0.830 249 V CB 1.450 33.269 31.823 -0.006 0.000 1.012 249 V HN 0.642 nan 8.190 nan 0.000 0.452 250 V N 6.511 126.409 119.914 -0.027 0.000 2.389 250 V HA 0.264 4.384 4.120 0.000 0.000 0.264 250 V C 1.023 177.097 176.094 -0.033 0.000 1.049 250 V CA -0.314 61.959 62.300 -0.045 0.000 0.932 250 V CB 0.716 32.512 31.823 -0.045 0.000 1.011 250 V HN 1.038 nan 8.190 nan 0.000 0.475 251 K N 3.481 123.848 120.400 -0.055 0.000 2.402 251 K HA 0.338 4.658 4.320 0.000 0.000 0.203 251 K C 0.372 176.925 176.600 -0.079 0.000 1.077 251 K CA -0.247 56.032 56.287 -0.015 0.000 1.051 251 K CB 0.982 33.496 32.500 0.022 0.000 0.907 251 K HN 0.751 nan 8.250 nan 0.000 0.554 252 E N 0.836 120.856 120.200 -0.301 0.000 2.416 252 E HA 0.212 4.562 4.350 0.000 0.000 0.273 252 E C -1.405 174.830 176.600 -0.607 0.000 0.935 252 E CA -0.956 54.926 56.400 -0.864 0.000 0.784 252 E CB 1.176 30.148 29.700 -1.212 0.000 1.301 252 E HN -0.100 nan 8.360 nan 0.000 0.454 253 D N 1.369 121.362 120.400 -0.678 0.000 2.472 253 D HA -0.041 4.599 4.640 0.000 0.000 0.237 253 D C 0.377 176.528 176.300 -0.249 0.000 1.141 253 D CA 0.465 54.344 54.000 -0.201 0.000 0.875 253 D CB 1.370 42.237 40.800 0.113 0.000 1.192 253 D HN 0.639 nan 8.370 nan 0.000 0.450 254 E N 1.078 121.186 120.200 -0.153 0.000 2.166 254 E HA -0.118 4.232 4.350 0.000 0.000 0.192 254 E C 1.193 177.691 176.600 -0.169 0.000 0.967 254 E CA 0.167 56.452 56.400 -0.192 0.000 0.840 254 E CB 0.292 29.924 29.700 -0.112 0.000 0.795 254 E HN 0.288 nan 8.360 nan 0.000 0.470 255 E N -0.099 120.081 120.200 -0.035 0.000 2.204 255 E HA -0.191 4.159 4.350 0.000 0.000 0.194 255 E C 1.775 178.466 176.600 0.151 0.000 0.989 255 E CA 1.287 57.721 56.400 0.058 0.000 0.824 255 E CB -0.336 29.424 29.700 0.100 0.000 0.756 255 E HN 0.536 nan 8.360 nan 0.000 0.477 256 Y N -0.390 119.983 120.300 0.121 0.000 2.352 256 Y HA 0.091 4.641 4.550 0.000 0.000 0.292 256 Y C 1.490 177.549 175.900 0.265 0.000 1.136 256 Y CA 0.954 59.212 58.100 0.264 0.000 1.227 256 Y CB -0.247 38.328 38.460 0.192 0.000 0.991 256 Y HN -0.140 nan 8.280 nan 0.000 0.545 257 K N 0.669 120.845 120.400 -0.373 0.000 2.296 257 K HA 0.091 4.411 4.320 0.000 0.000 0.200 257 K C 0.613 177.135 176.600 -0.129 0.000 1.048 257 K CA 0.313 56.430 56.287 -0.283 0.000 0.966 257 K CB 0.013 32.246 32.500 -0.445 0.000 0.754 257 K HN 0.199 nan 8.250 nan 0.000 0.466 258 R N 1.546 122.015 120.500 -0.051 0.000 4.164 258 R HA 0.140 4.480 4.340 0.000 0.000 0.195 258 R C -0.892 175.386 176.300 -0.037 0.000 1.712 258 R CA 0.020 56.105 56.100 -0.024 0.000 1.457 258 R CB 0.024 30.339 30.300 0.024 0.000 1.387 258 R HN -0.078 nan 8.270 nan 0.000 0.785 259 V N 0.513 120.336 119.914 -0.151 0.000 3.204 259 V HA 0.300 4.420 4.120 0.000 0.000 0.298 259 V C -1.827 174.113 176.094 -0.255 0.000 1.328 259 V CA -0.838 61.301 62.300 -0.268 0.000 1.035 259 V CB 2.902 34.314 31.823 -0.685 0.000 1.095 259 V HN 0.343 nan 8.190 nan 0.000 0.442 260 D N 3.345 123.640 120.400 -0.174 0.000 2.479 260 D HA 0.347 4.987 4.640 0.000 0.000 0.246 260 D C 0.324 176.637 176.300 0.022 0.000 1.336 260 D CA -0.349 53.563 54.000 -0.145 0.000 0.967 260 D CB 1.199 41.951 40.800 -0.079 0.000 1.275 260 D HN 0.270 nan 8.370 nan 0.000 0.577 261 F N 1.532 121.428 119.950 -0.090 0.000 2.216 261 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 261 F C 2.656 178.437 175.800 -0.032 0.000 1.085 261 F CA 1.135 59.097 58.000 -0.063 0.000 1.326 261 F CB -1.184 37.793 39.000 -0.039 0.000 1.027 261 F HN 0.399 nan 8.300 nan 0.000 0.497 262 S N -0.182 115.607 115.700 0.149 0.000 2.419 262 S HA -0.151 4.319 4.470 0.000 0.000 0.233 262 S C 1.784 176.419 174.600 0.059 0.000 1.016 262 S CA 0.821 59.070 58.200 0.083 0.000 0.974 262 S CB -0.422 62.804 63.200 0.045 0.000 0.786 262 S HN 0.382 nan 8.310 nan 0.000 0.492 263 K N 0.848 121.280 120.400 0.053 0.000 2.243 263 K HA 0.171 4.491 4.320 0.000 0.000 0.201 263 K C 2.066 178.695 176.600 0.048 0.000 1.051 263 K CA 0.732 57.041 56.287 0.037 0.000 0.970 263 K CB -0.455 32.056 32.500 0.019 0.000 0.755 263 K HN 0.287 nan 8.250 nan 0.000 0.465 264 V N 2.249 122.206 119.914 0.070 0.000 2.250 264 V HA -0.232 3.888 4.120 0.000 0.000 0.253 264 V C -0.907 175.221 176.094 0.056 0.000 1.065 264 V CA 2.069 64.412 62.300 0.071 0.000 1.039 264 V CB -1.393 30.477 31.823 0.079 0.000 0.647 264 V HN 0.217 nan 8.190 nan 0.000 0.446 265 P HA -0.073 nan 4.420 nan 0.000 0.226 265 P C 1.334 178.654 177.300 0.032 0.000 1.153 265 P CA 1.157 64.279 63.100 0.037 0.000 0.777 265 P CB -0.050 31.668 31.700 0.031 0.000 0.794 266 K N -1.371 119.048 120.400 0.031 0.000 2.243 266 K HA 0.054 4.374 4.320 0.000 0.000 0.201 266 K C 0.521 177.134 176.600 0.021 0.000 1.051 266 K CA -0.059 56.242 56.287 0.023 0.000 0.970 266 K CB -0.382 32.130 32.500 0.020 0.000 0.755 266 K HN 0.034 nan 8.250 nan 0.000 0.465 267 L N 2.298 123.537 121.223 0.028 0.000 2.529 267 L HA -0.068 4.272 4.340 0.000 0.000 0.287 267 L C 0.531 177.411 176.870 0.017 0.000 1.241 267 L CA 0.843 55.697 54.840 0.024 0.000 0.857 267 L CB 0.022 42.105 42.059 0.039 0.000 1.113 267 L HN 0.038 nan 8.230 nan 0.000 0.504 268 K N 0.860 121.260 120.400 0.001 0.000 2.144 268 K HA 0.222 4.542 4.320 0.000 0.000 0.270 268 K C -0.362 176.228 176.600 -0.017 0.000 1.005 268 K CA -0.441 55.840 56.287 -0.010 0.000 0.932 268 K CB 0.854 33.338 32.500 -0.026 0.000 1.021 268 K HN 0.753 nan 8.250 nan 0.000 0.462 269 T N 0.969 115.518 114.554 -0.008 0.000 2.987 269 T HA 0.125 4.475 4.350 0.000 0.000 0.288 269 T C 1.184 175.847 174.700 -0.061 0.000 0.981 269 T CA -0.728 61.375 62.100 0.004 0.000 1.031 269 T CB -0.075 68.815 68.868 0.038 0.000 0.976 269 T HN 0.401 nan 8.240 nan 0.000 0.612 270 V N -0.002 119.795 119.914 -0.196 0.000 3.510 270 V HA 0.212 4.332 4.120 0.000 0.000 0.270 270 V C 1.109 176.880 176.094 -0.538 0.000 1.201 270 V CA 0.517 62.574 62.300 -0.404 0.000 1.166 270 V CB -1.448 30.041 31.823 -0.557 0.000 0.825 270 V HN 0.735 nan 8.190 nan 0.000 0.484 271 F N 0.464 120.391 119.950 -0.037 0.000 2.704 271 F HA 0.503 5.030 4.527 -0.000 0.000 0.304 271 F C 0.990 176.777 175.800 -0.022 0.000 1.094 271 F CA -0.199 57.773 58.000 -0.046 0.000 1.275 271 F CB 0.402 39.365 39.000 -0.062 0.000 1.073 271 F HN 0.251 nan 8.300 nan 0.000 0.586 272 Q N -0.047 119.816 119.800 0.106 0.000 2.313 272 Q HA 0.211 4.551 4.340 0.000 0.000 0.260 272 Q C 0.309 176.327 176.000 0.030 0.000 0.972 272 Q CA -0.409 55.433 55.803 0.066 0.000 0.886 272 Q CB 1.675 30.453 28.738 0.066 0.000 1.373 272 Q HN 0.022 nan 8.270 nan 0.000 0.416 273 K N 1.136 121.547 120.400 0.020 0.000 1.969 273 K HA -0.071 4.249 4.320 0.000 0.000 0.216 273 K C -0.132 176.475 176.600 0.011 0.000 1.048 273 K CA 1.191 57.483 56.287 0.009 0.000 0.948 273 K CB 0.131 32.636 32.500 0.008 0.000 0.726 273 K HN 0.529 nan 8.250 nan 0.000 0.442 274 E N 1.927 122.135 120.200 0.013 0.000 2.289 274 E HA 0.046 4.396 4.350 0.000 0.000 0.278 274 E C -0.692 175.915 176.600 0.012 0.000 1.032 274 E CA -0.126 56.281 56.400 0.011 0.000 0.854 274 E CB 0.613 30.318 29.700 0.010 0.000 1.046 274 E HN 0.254 nan 8.360 nan 0.000 0.409 275 N N 0.956 119.662 118.700 0.010 0.000 2.650 275 N HA -0.190 4.550 4.740 0.000 0.000 0.272 275 N C -0.043 175.476 175.510 0.014 0.000 1.058 275 N CA 0.674 53.730 53.050 0.010 0.000 0.765 275 N CB -0.719 37.771 38.487 0.005 0.000 0.902 275 N HN 0.630 nan 8.380 nan 0.000 0.551 276 G N -0.806 108.007 108.800 0.022 0.000 2.462 276 G HA2 0.594 4.554 3.960 0.000 0.000 0.319 276 G HA3 0.594 4.554 3.960 0.000 0.000 0.319 276 G C 0.875 175.797 174.900 0.036 0.000 1.171 276 G CA 0.078 45.199 45.100 0.035 0.000 0.920 276 G HN 0.341 nan 8.290 nan 0.000 0.499 277 T N -3.381 111.202 114.554 0.048 0.000 3.051 277 T HA 0.146 4.496 4.350 0.000 0.000 0.254 277 T C 0.456 175.208 174.700 0.087 0.000 0.916 277 T CA 0.102 62.232 62.100 0.050 0.000 0.894 277 T CB -0.001 68.881 68.868 0.023 0.000 1.251 277 T HN 0.337 nan 8.240 nan 0.000 0.517 278 V N 4.107 124.095 119.914 0.123 0.000 2.530 278 V HA 0.619 4.739 4.120 0.000 0.000 0.282 278 V C 0.691 176.953 176.094 0.279 0.000 1.048 278 V CA -0.085 62.346 62.300 0.218 0.000 0.997 278 V CB 0.621 32.575 31.823 0.217 0.000 0.987 278 V HN 0.775 nan 8.190 nan 0.000 0.477 279 T N 1.370 116.082 114.554 0.264 0.000 2.864 279 T HA 0.695 5.045 4.350 0.000 0.000 0.289 279 T C 1.011 175.860 174.700 0.248 0.000 1.082 279 T CA -0.077 62.139 62.100 0.194 0.000 1.009 279 T CB 2.008 70.953 68.868 0.128 0.000 1.234 279 T HN 0.648 nan 8.240 nan 0.000 0.526 280 A N 0.549 123.465 122.820 0.159 0.000 1.933 280 A HA 0.232 4.552 4.320 0.000 0.000 0.218 280 A C 2.531 180.232 177.584 0.195 0.000 1.175 280 A CA 2.028 54.166 52.037 0.168 0.000 0.628 280 A CB -1.521 17.534 19.000 0.091 0.000 0.814 280 A HN 1.323 nan 8.150 nan 0.000 0.444 281 A N 1.138 124.068 122.820 0.183 0.000 1.930 281 A HA -0.169 4.151 4.320 0.000 0.000 0.217 281 A C 1.633 179.384 177.584 0.279 0.000 1.175 281 A CA 1.852 54.024 52.037 0.225 0.000 0.627 281 A CB -0.599 18.502 19.000 0.168 0.000 0.815 281 A HN 0.775 nan 8.150 nan 0.000 0.443 282 N N -0.873 117.973 118.700 0.244 0.000 2.230 282 N HA 0.431 5.171 4.740 0.000 0.000 0.202 282 N C 0.093 175.760 175.510 0.261 0.000 1.119 282 N CA 0.558 53.757 53.050 0.248 0.000 0.851 282 N CB 0.014 38.630 38.487 0.215 0.000 0.990 282 N HN 0.387 nan 8.380 nan 0.000 0.497 283 A N 0.129 123.110 122.820 0.268 0.000 2.299 283 A HA 0.717 5.037 4.320 0.000 0.000 0.332 283 A C 0.308 177.917 177.584 0.042 0.000 1.131 283 A CA -0.524 51.641 52.037 0.213 0.000 0.844 283 A CB 0.592 19.830 19.000 0.398 0.000 1.251 283 A HN 0.378 nan 8.150 nan 0.000 0.486 284 S N 0.021 115.621 115.700 -0.168 0.000 2.600 284 S HA 0.523 4.993 4.470 0.000 0.000 0.265 284 S C 0.429 175.028 174.600 -0.003 0.000 1.325 284 S CA 0.289 58.434 58.200 -0.091 0.000 1.002 284 S CB 0.477 63.587 63.200 -0.149 0.000 0.921 284 S HN 1.351 nan 8.310 nan 0.000 0.554 285 T N -0.745 113.834 114.554 0.041 0.000 2.937 285 T HA 0.611 4.961 4.350 0.000 0.000 0.283 285 T C -0.037 174.668 174.700 0.008 0.000 1.012 285 T CA -1.165 60.961 62.100 0.044 0.000 0.997 285 T CB 0.253 69.168 68.868 0.078 0.000 1.136 285 T HN 0.582 nan 8.240 nan 0.000 0.551 286 L N 1.836 123.025 121.223 -0.058 0.000 2.331 286 L HA 0.534 4.874 4.340 0.000 0.000 0.278 286 L C -0.084 176.814 176.870 0.048 0.000 1.106 286 L CA -0.562 54.208 54.840 -0.117 0.000 0.824 286 L CB 0.184 41.959 42.059 -0.473 0.000 1.142 286 L HN 0.751 nan 8.230 nan 0.000 0.443 287 N N 0.694 119.433 118.700 0.065 0.000 2.825 287 N HA 0.468 5.208 4.740 0.000 0.000 0.253 287 N C -1.899 173.659 175.510 0.080 0.000 1.426 287 N CA -0.881 52.229 53.050 0.100 0.000 0.851 287 N CB 1.678 40.209 38.487 0.073 0.000 1.470 287 N HN 0.412 nan 8.380 nan 0.000 0.517 288 D N -0.405 120.035 120.400 0.067 0.000 2.498 288 D HA 0.754 5.394 4.640 0.000 0.000 0.247 288 D C -0.275 176.045 176.300 0.033 0.000 1.070 288 D CA -0.290 53.737 54.000 0.044 0.000 0.842 288 D CB 1.844 42.665 40.800 0.035 0.000 1.361 288 D HN 0.664 nan 8.370 nan 0.000 0.484 289 G N -0.652 108.164 108.800 0.028 0.000 2.355 289 G HA2 0.624 4.584 3.960 0.000 0.000 0.296 289 G HA3 0.624 4.584 3.960 0.000 0.000 0.296 289 G C -1.961 172.956 174.900 0.030 0.000 1.507 289 G CA -0.439 44.679 45.100 0.030 0.000 0.823 289 G HN 0.583 nan 8.290 nan 0.000 0.569 290 A N -0.914 121.927 122.820 0.034 0.000 2.475 290 A HA 1.074 5.394 4.320 0.000 0.000 0.301 290 A C -0.194 177.417 177.584 0.045 0.000 1.059 290 A CA 0.134 52.192 52.037 0.036 0.000 0.710 290 A CB 1.701 20.720 19.000 0.030 0.000 1.288 290 A HN 2.484 nan 8.150 nan 0.000 0.408 291 A N 0.389 123.237 122.820 0.048 0.000 2.414 291 A HA 0.962 5.282 4.320 0.000 0.000 0.306 291 A C -0.329 177.285 177.584 0.050 0.000 1.054 291 A CA 0.010 52.081 52.037 0.057 0.000 0.724 291 A CB 1.498 20.537 19.000 0.066 0.000 1.267 291 A HN 2.527 nan 8.150 nan 0.000 0.418 292 A N 1.175 124.027 122.820 0.053 0.000 2.486 292 A HA 0.778 5.098 4.320 0.000 0.000 0.300 292 A C -1.671 175.938 177.584 0.041 0.000 1.048 292 A CA -0.363 51.698 52.037 0.041 0.000 0.696 292 A CB 1.065 20.086 19.000 0.034 0.000 1.278 292 A HN 0.865 nan 8.150 nan 0.000 0.405 293 L N 1.344 122.581 121.223 0.024 0.000 2.386 293 L HA 0.578 4.918 4.340 0.000 0.000 0.271 293 L C -0.421 176.447 176.870 -0.003 0.000 0.993 293 L CA -0.551 54.296 54.840 0.012 0.000 0.819 293 L CB 2.128 44.189 42.059 0.003 0.000 1.294 293 L HN 0.436 nan 8.230 nan 0.000 0.414 294 V N 4.429 124.340 119.914 -0.006 0.000 2.383 294 V HA 0.435 4.555 4.120 0.000 0.000 0.275 294 V C 0.001 176.081 176.094 -0.023 0.000 1.036 294 V CA -0.388 61.902 62.300 -0.015 0.000 0.889 294 V CB 1.077 32.895 31.823 -0.009 0.000 0.985 294 V HN 0.474 nan 8.190 nan 0.000 0.459 295 L N 6.860 128.064 121.223 -0.031 0.000 2.334 295 L HA 0.820 5.160 4.340 0.000 0.000 0.276 295 L C -0.169 176.683 176.870 -0.029 0.000 1.014 295 L CA -0.492 54.330 54.840 -0.030 0.000 0.815 295 L CB 1.775 43.812 42.059 -0.036 0.000 1.268 295 L HN 0.730 nan 8.230 nan 0.000 0.428 296 M N -0.117 119.470 119.600 -0.021 0.000 2.721 296 M HA 0.523 5.003 4.480 0.000 0.000 0.271 296 M C -0.500 175.794 176.300 -0.010 0.000 1.259 296 M CA -0.799 54.491 55.300 -0.018 0.000 0.835 296 M CB 2.108 34.698 32.600 -0.017 0.000 1.689 296 M HN 0.484 nan 8.290 nan 0.000 0.470 297 T N -0.560 113.988 114.554 -0.009 0.000 2.898 297 T HA 0.540 4.890 4.350 0.000 0.000 0.301 297 T C 1.170 175.866 174.700 -0.007 0.000 1.049 297 T CA -0.056 62.041 62.100 -0.005 0.000 1.095 297 T CB 1.183 70.048 68.868 -0.005 0.000 0.976 297 T HN 0.858 nan 8.240 nan 0.000 0.539 298 A N 1.813 124.629 122.820 -0.006 0.000 1.892 298 A HA -0.148 4.172 4.320 0.000 0.000 0.218 298 A C 2.065 179.645 177.584 -0.008 0.000 1.188 298 A CA 1.929 53.961 52.037 -0.008 0.000 0.631 298 A CB -1.102 17.893 19.000 -0.008 0.000 0.822 298 A HN 0.922 nan 8.150 nan 0.000 0.447 299 D N -0.102 120.294 120.400 -0.006 0.000 2.133 299 D HA -0.108 4.532 4.640 0.000 0.000 0.195 299 D C 2.192 178.489 176.300 -0.005 0.000 0.997 299 D CA 1.645 55.641 54.000 -0.005 0.000 0.840 299 D CB -0.410 40.388 40.800 -0.004 0.000 0.947 299 D HN 0.463 nan 8.370 nan 0.000 0.452 300 A N 0.784 123.600 122.820 -0.006 0.000 1.929 300 A HA 0.047 4.367 4.320 0.000 0.000 0.216 300 A C 2.308 179.887 177.584 -0.008 0.000 1.176 300 A CA 1.909 53.942 52.037 -0.006 0.000 0.628 300 A CB -0.618 18.378 19.000 -0.008 0.000 0.816 300 A HN 0.224 nan 8.150 nan 0.000 0.444 301 A N 0.051 122.865 122.820 -0.009 0.000 1.933 301 A HA -0.173 4.147 4.320 0.000 0.000 0.218 301 A C 2.111 179.690 177.584 -0.009 0.000 1.175 301 A CA 1.819 53.850 52.037 -0.010 0.000 0.628 301 A CB -0.403 18.589 19.000 -0.013 0.000 0.814 301 A HN 0.549 nan 8.150 nan 0.000 0.444 302 K N -0.863 119.531 120.400 -0.009 0.000 2.002 302 K HA -0.150 4.170 4.320 0.000 0.000 0.209 302 K C 2.393 178.989 176.600 -0.006 0.000 1.048 302 K CA 1.447 57.730 56.287 -0.008 0.000 0.930 302 K CB -0.234 32.262 32.500 -0.007 0.000 0.714 302 K HN 0.467 nan 8.250 nan 0.000 0.438 303 R N 0.764 121.260 120.500 -0.005 0.000 2.105 303 R HA -0.141 4.199 4.340 0.000 0.000 0.239 303 R C 1.692 177.990 176.300 -0.004 0.000 1.135 303 R CA 1.233 57.330 56.100 -0.004 0.000 0.967 303 R CB -0.016 30.282 30.300 -0.003 0.000 0.861 303 R HN 0.046 nan 8.270 nan 0.000 0.442 304 L N 0.963 122.183 121.223 -0.005 0.000 2.567 304 L HA 0.085 4.425 4.340 0.000 0.000 0.225 304 L C 0.162 177.029 176.870 -0.004 0.000 1.119 304 L CA 0.684 55.521 54.840 -0.004 0.000 0.871 304 L CB -0.908 41.148 42.059 -0.005 0.000 1.036 304 L HN 0.311 nan 8.230 nan 0.000 0.459 305 N N -0.294 118.402 118.700 -0.005 0.000 2.756 305 N HA -0.170 4.571 4.740 0.000 0.000 0.248 305 N C -0.524 174.983 175.510 -0.006 0.000 1.062 305 N CA 0.858 53.904 53.050 -0.006 0.000 0.696 305 N CB -0.930 37.554 38.487 -0.004 0.000 0.946 305 N HN 0.159 nan 8.380 nan 0.000 0.548 306 V N -2.679 117.231 119.914 -0.007 0.000 2.815 306 V HA 0.801 4.921 4.120 0.000 0.000 0.314 306 V C 0.611 176.698 176.094 -0.011 0.000 1.064 306 V CA -0.534 61.761 62.300 -0.008 0.000 0.952 306 V CB 2.102 33.921 31.823 -0.007 0.000 1.020 306 V HN 0.143 nan 8.190 nan 0.000 0.439 307 T N 5.350 119.897 114.554 -0.012 0.000 2.727 307 T HA 0.437 4.787 4.350 0.000 0.000 0.298 307 T C -2.345 172.342 174.700 -0.022 0.000 0.942 307 T CA -0.580 61.510 62.100 -0.017 0.000 0.997 307 T CB 0.623 69.481 68.868 -0.016 0.000 0.917 307 T HN 0.821 nan 8.240 nan 0.000 0.487 308 P HA 0.134 nan 4.420 nan 0.000 0.268 308 P C 0.394 177.666 177.300 -0.047 0.000 1.205 308 P CA -0.476 62.603 63.100 -0.034 0.000 0.771 308 P CB 0.909 32.590 31.700 -0.032 0.000 0.858 309 L N 1.991 123.177 121.223 -0.061 0.000 2.084 309 L HA 0.197 4.537 4.340 0.000 0.000 0.202 309 L C 1.304 178.120 176.870 -0.091 0.000 1.074 309 L CA 1.708 56.497 54.840 -0.086 0.000 0.757 309 L CB -1.187 40.793 42.059 -0.132 0.000 0.918 309 L HN 0.555 nan 8.230 nan 0.000 0.444 310 A N -1.499 121.271 122.820 -0.082 0.000 2.569 310 A HA 0.697 5.017 4.320 0.000 0.000 0.290 310 A C -0.706 176.849 177.584 -0.049 0.000 1.136 310 A CA -0.600 51.392 52.037 -0.076 0.000 0.710 310 A CB 1.323 20.272 19.000 -0.085 0.000 1.303 310 A HN 0.036 nan 8.150 nan 0.000 0.413 311 R N 0.633 121.110 120.500 -0.039 0.000 2.562 311 R HA 0.642 4.982 4.340 0.000 0.000 0.298 311 R C -1.433 174.879 176.300 0.020 0.000 0.961 311 R CA -0.599 55.494 56.100 -0.011 0.000 0.881 311 R CB 0.916 31.207 30.300 -0.014 0.000 1.159 311 R HN 0.669 nan 8.270 nan 0.000 0.450 312 I N 5.622 126.219 120.570 0.047 0.000 2.322 312 I HA 0.059 4.229 4.170 0.000 0.000 0.292 312 I C 0.966 177.141 176.117 0.097 0.000 1.060 312 I CA -0.319 61.040 61.300 0.099 0.000 1.309 312 I CB 1.547 39.633 38.000 0.144 0.000 1.415 312 I HN 0.545 nan 8.210 nan 0.000 0.492 313 V N 5.991 125.955 119.914 0.084 0.000 2.374 313 V HA 0.242 4.362 4.120 0.000 0.000 0.241 313 V C 0.857 176.919 176.094 -0.053 0.000 1.034 313 V CA 1.108 63.429 62.300 0.035 0.000 1.037 313 V CB -0.093 31.772 31.823 0.070 0.000 0.682 313 V HN 0.847 nan 8.190 nan 0.000 0.463 314 A N -0.242 122.542 122.820 -0.059 0.000 2.610 314 A HA 0.811 5.131 4.320 0.000 0.000 0.291 314 A C -1.613 175.914 177.584 -0.094 0.000 1.086 314 A CA -0.472 51.413 52.037 -0.254 0.000 0.677 314 A CB 1.519 20.406 19.000 -0.188 0.000 1.278 314 A HN 0.459 nan 8.150 nan 0.000 0.414 315 F N -2.580 117.371 119.950 0.002 0.000 2.713 315 F HA 0.935 5.462 4.527 0.000 0.000 0.311 315 F C -0.308 175.502 175.800 0.017 0.000 1.141 315 F CA -0.634 57.372 58.000 0.011 0.000 0.939 315 F CB 1.237 40.248 39.000 0.017 0.000 1.325 315 F HN 1.481 nan 8.300 nan 0.000 0.453 316 A N 0.314 123.291 122.820 0.261 0.000 2.609 316 A HA 0.708 5.028 4.320 0.000 0.000 0.291 316 A C -2.205 175.472 177.584 0.155 0.000 1.096 316 A CA -0.788 51.352 52.037 0.171 0.000 0.684 316 A CB 1.767 20.823 19.000 0.093 0.000 1.282 316 A HN 0.763 nan 8.150 nan 0.000 0.412 317 D N 0.256 120.729 120.400 0.121 0.000 2.481 317 D HA 0.658 5.298 4.640 0.000 0.000 0.244 317 D C -0.397 175.954 176.300 0.085 0.000 1.057 317 D CA 0.084 54.143 54.000 0.098 0.000 0.848 317 D CB 2.221 43.070 40.800 0.081 0.000 1.388 317 D HN 0.867 nan 8.370 nan 0.000 0.475 318 A N 0.600 123.475 122.820 0.091 0.000 2.454 318 A HA 0.873 5.193 4.320 0.000 0.000 0.302 318 A C -1.417 176.209 177.584 0.071 0.000 1.079 318 A CA -0.620 51.467 52.037 0.082 0.000 0.731 318 A CB 2.083 21.166 19.000 0.138 0.000 1.299 318 A HN 0.592 nan 8.150 nan 0.000 0.413 319 A N 0.282 123.119 122.820 0.029 0.000 2.486 319 A HA 0.814 5.134 4.320 0.000 0.000 0.300 319 A C -0.347 177.225 177.584 -0.021 0.000 1.048 319 A CA 0.047 52.099 52.037 0.025 0.000 0.696 319 A CB 1.130 20.138 19.000 0.013 0.000 1.278 319 A HN 2.316 nan 8.150 nan 0.000 0.405 320 V N -1.046 118.873 119.914 0.007 0.000 3.105 320 V HA 0.822 4.942 4.120 0.000 0.000 0.311 320 V C 0.053 176.142 176.094 -0.010 0.000 1.282 320 V CA -0.967 61.318 62.300 -0.026 0.000 1.065 320 V CB 0.871 32.700 31.823 0.011 0.000 1.136 320 V HN 0.909 nan 8.190 nan 0.000 0.469 321 E N 1.675 121.863 120.200 -0.020 0.000 2.608 321 E HA 0.137 4.487 4.350 0.000 0.000 0.259 321 E C -1.933 174.687 176.600 0.034 0.000 0.951 321 E CA -0.757 55.632 56.400 -0.018 0.000 0.945 321 E CB 0.992 30.683 29.700 -0.015 0.000 0.916 321 E HN 0.549 nan 8.360 nan 0.000 0.477 322 P HA -0.201 nan 4.420 nan 0.000 0.216 322 P C 1.299 178.736 177.300 0.229 0.000 1.154 322 P CA 1.094 64.278 63.100 0.140 0.000 0.865 322 P CB 0.036 31.841 31.700 0.176 0.000 0.789 323 I N -0.815 119.848 120.570 0.155 0.000 2.614 323 I HA -0.163 4.007 4.170 0.000 0.000 0.258 323 I C 0.409 176.546 176.117 0.033 0.000 1.189 323 I CA 1.510 62.889 61.300 0.131 0.000 1.462 323 I CB -0.063 37.974 38.000 0.062 0.000 1.092 323 I HN -0.153 nan 8.210 nan 0.000 0.442 324 D N 0.441 120.859 120.400 0.030 0.000 2.395 324 D HA -0.008 4.632 4.640 0.000 0.000 0.226 324 D C 1.599 177.872 176.300 -0.045 0.000 1.146 324 D CA 0.012 53.981 54.000 -0.053 0.000 0.830 324 D CB -0.128 40.671 40.800 -0.002 0.000 0.958 324 D HN 0.456 nan 8.370 nan 0.000 0.501 325 F N 0.792 120.763 119.950 0.035 0.000 2.250 325 F HA -0.006 4.521 4.527 -0.000 0.000 0.301 325 F C -1.095 174.738 175.800 0.055 0.000 1.077 325 F CA 0.378 58.410 58.000 0.054 0.000 1.348 325 F CB -1.902 37.135 39.000 0.061 0.000 1.040 325 F HN -0.044 nan 8.300 nan 0.000 0.509 326 P HA -0.146 nan 4.420 nan 0.000 0.220 326 P C 1.846 179.089 177.300 -0.095 0.000 1.148 326 P CA 1.975 64.894 63.100 -0.301 0.000 0.803 326 P CB -0.342 31.082 31.700 -0.459 0.000 0.782 327 I N -4.808 115.722 120.570 -0.066 0.000 3.226 327 I HA 0.149 4.319 4.170 0.000 0.000 0.277 327 I C 1.967 178.132 176.117 0.080 0.000 1.243 327 I CA 0.623 61.911 61.300 -0.021 0.000 1.459 327 I CB -0.900 37.100 38.000 0.001 0.000 1.093 327 I HN -0.224 nan 8.210 nan 0.000 0.453 328 A N 2.652 125.574 122.820 0.170 0.000 1.927 328 A HA -0.107 4.213 4.320 0.000 0.000 0.220 328 A C 0.185 177.882 177.584 0.188 0.000 1.185 328 A CA 2.005 54.189 52.037 0.244 0.000 0.639 328 A CB -2.028 17.097 19.000 0.209 0.000 0.820 328 A HN 0.424 nan 8.150 nan 0.000 0.451 329 P HA -0.062 nan 4.420 nan 0.000 0.222 329 P C 1.515 178.851 177.300 0.060 0.000 1.147 329 P CA 0.950 64.112 63.100 0.104 0.000 0.790 329 P CB -0.144 31.613 31.700 0.094 0.000 0.780 330 V N -1.247 118.640 119.914 -0.045 0.000 2.261 330 V HA -0.278 3.842 4.120 0.000 0.000 0.246 330 V C 2.138 178.133 176.094 -0.164 0.000 1.047 330 V CA 1.921 64.113 62.300 -0.181 0.000 1.015 330 V CB -1.603 29.973 31.823 -0.411 0.000 0.642 330 V HN 0.029 nan 8.190 nan 0.000 0.446 331 Y N 0.821 121.145 120.300 0.039 0.000 2.207 331 Y HA -0.152 4.398 4.550 -0.000 0.000 0.287 331 Y C 2.532 178.462 175.900 0.051 0.000 1.156 331 Y CA 1.302 59.424 58.100 0.038 0.000 1.182 331 Y CB -1.121 37.356 38.460 0.028 0.000 0.979 331 Y HN 0.191 nan 8.280 nan 0.000 0.521 332 A N 0.047 122.988 122.820 0.200 0.000 1.898 332 A HA -0.058 4.262 4.320 0.000 0.000 0.216 332 A C 2.472 180.131 177.584 0.125 0.000 1.181 332 A CA 1.645 53.772 52.037 0.150 0.000 0.620 332 A CB -1.222 17.863 19.000 0.141 0.000 0.819 332 A HN 0.388 nan 8.150 nan 0.000 0.442 333 A N -0.355 122.544 122.820 0.131 0.000 1.902 333 A HA -0.090 4.230 4.320 0.000 0.000 0.217 333 A C 2.439 180.094 177.584 0.119 0.000 1.181 333 A CA 2.135 54.261 52.037 0.150 0.000 0.623 333 A CB -0.916 18.241 19.000 0.263 0.000 0.818 333 A HN 0.454 nan 8.150 nan 0.000 0.443 334 S N -0.404 115.358 115.700 0.102 0.000 2.368 334 S HA -0.185 4.285 4.470 0.000 0.000 0.225 334 S C 2.003 176.644 174.600 0.067 0.000 1.030 334 S CA 1.849 60.097 58.200 0.080 0.000 0.999 334 S CB -0.421 62.823 63.200 0.073 0.000 0.844 334 S HN 0.576 nan 8.310 nan 0.000 0.459 335 M N 0.639 120.286 119.600 0.079 0.000 2.117 335 M HA -0.102 4.378 4.480 0.000 0.000 0.262 335 M C 2.132 178.445 176.300 0.022 0.000 1.065 335 M CA 1.186 56.519 55.300 0.054 0.000 1.114 335 M CB -0.600 32.040 32.600 0.067 0.000 1.361 335 M HN 0.153 nan 8.290 nan 0.000 0.408 336 V N 0.696 120.624 119.914 0.024 0.000 2.261 336 V HA -0.268 3.852 4.120 0.000 0.000 0.246 336 V C 2.278 178.346 176.094 -0.044 0.000 1.047 336 V CA 1.747 64.039 62.300 -0.013 0.000 1.015 336 V CB -0.705 31.116 31.823 -0.003 0.000 0.642 336 V HN 0.447 nan 8.190 nan 0.000 0.446 337 L N -0.119 121.086 121.223 -0.030 0.000 1.989 337 L HA -0.251 4.089 4.340 0.000 0.000 0.211 337 L C 2.625 179.467 176.870 -0.046 0.000 1.071 337 L CA 2.223 57.032 54.840 -0.052 0.000 0.749 337 L CB -0.740 41.314 42.059 -0.008 0.000 0.890 337 L HN 0.311 nan 8.230 nan 0.000 0.431 338 K N 0.210 120.600 120.400 -0.017 0.000 2.063 338 K HA -0.285 4.035 4.320 0.000 0.000 0.208 338 K C 1.827 178.408 176.600 -0.031 0.000 1.048 338 K CA 2.182 58.459 56.287 -0.016 0.000 0.928 338 K CB -0.153 32.349 32.500 0.003 0.000 0.713 338 K HN 0.230 nan 8.250 nan 0.000 0.442 339 D N -0.136 120.241 120.400 -0.039 0.000 2.123 339 D HA -0.136 4.504 4.640 0.000 0.000 0.196 339 D C 1.603 177.862 176.300 -0.068 0.000 0.992 339 D CA 1.272 55.240 54.000 -0.054 0.000 0.833 339 D CB 0.147 40.906 40.800 -0.068 0.000 0.954 339 D HN 0.079 nan 8.370 nan 0.000 0.455 340 V N -0.613 119.251 119.914 -0.084 0.000 3.406 340 V HA 0.226 4.346 4.120 0.000 0.000 0.263 340 V C 1.667 177.706 176.094 -0.092 0.000 1.172 340 V CA 0.746 62.987 62.300 -0.098 0.000 1.140 340 V CB -0.260 31.480 31.823 -0.137 0.000 0.784 340 V HN 0.518 nan 8.190 nan 0.000 0.467 341 G N 0.801 109.554 108.800 -0.077 0.000 2.198 341 G HA2 -0.237 3.723 3.960 0.000 0.000 0.257 341 G HA3 -0.237 3.723 3.960 0.000 0.000 0.257 341 G C -0.089 174.761 174.900 -0.083 0.000 1.042 341 G CA 0.347 45.409 45.100 -0.064 0.000 0.791 341 G HN 0.435 nan 8.290 nan 0.000 0.502 342 L N -1.050 120.104 121.223 -0.116 0.000 2.358 342 L HA 0.654 4.994 4.340 0.000 0.000 0.268 342 L C 0.757 177.580 176.870 -0.079 0.000 1.032 342 L CA -1.013 53.741 54.840 -0.144 0.000 0.805 342 L CB 1.423 43.309 42.059 -0.289 0.000 1.253 342 L HN 0.040 nan 8.230 nan 0.000 0.452 343 K N 0.311 120.678 120.400 -0.055 0.000 2.156 343 K HA 0.228 4.548 4.320 0.000 0.000 0.250 343 K C 0.642 177.269 176.600 0.045 0.000 0.955 343 K CA -0.747 55.540 56.287 0.001 0.000 0.855 343 K CB 1.869 34.375 32.500 0.010 0.000 1.101 343 K HN 0.458 nan 8.250 nan 0.000 0.434 344 K N 0.648 121.116 120.400 0.114 0.000 2.160 344 K HA -0.231 4.089 4.320 0.000 0.000 0.206 344 K C 0.651 177.413 176.600 0.270 0.000 1.047 344 K CA 1.803 58.249 56.287 0.266 0.000 0.930 344 K CB 0.006 32.639 32.500 0.222 0.000 0.720 344 K HN 0.439 nan 8.250 nan 0.000 0.450 345 E N 1.228 121.514 120.200 0.144 0.000 2.347 345 E HA -0.090 4.260 4.350 0.000 0.000 0.196 345 E C 1.209 177.875 176.600 0.111 0.000 1.008 345 E CA 0.944 57.418 56.400 0.123 0.000 0.852 345 E CB 0.012 29.755 29.700 0.071 0.000 0.783 345 E HN 0.362 nan 8.360 nan 0.000 0.505 346 D N 0.050 120.495 120.400 0.075 0.000 2.347 346 D HA -0.052 4.588 4.640 0.000 0.000 0.215 346 D C 0.079 176.418 176.300 0.066 0.000 0.976 346 D CA 0.452 54.482 54.000 0.049 0.000 0.884 346 D CB 0.267 41.044 40.800 -0.038 0.000 0.915 346 D HN 0.133 nan 8.370 nan 0.000 0.526 347 I N 1.418 122.022 120.570 0.056 0.000 2.322 347 I HA 0.097 4.267 4.170 0.000 0.000 0.292 347 I C 1.494 177.639 176.117 0.046 0.000 1.060 347 I CA -0.522 60.742 61.300 -0.060 0.000 1.309 347 I CB 0.685 38.400 38.000 -0.475 0.000 1.415 347 I HN -0.199 nan 8.210 nan 0.000 0.492 348 A N 6.992 129.830 122.820 0.031 0.000 1.930 348 A HA 0.002 4.322 4.320 0.000 0.000 0.217 348 A C 1.081 178.707 177.584 0.069 0.000 1.175 348 A CA 1.093 53.162 52.037 0.053 0.000 0.627 348 A CB 0.132 19.145 19.000 0.021 0.000 0.815 348 A HN 0.705 nan 8.150 nan 0.000 0.443 349 M N -1.373 118.225 119.600 -0.004 0.000 2.284 349 M HA 0.453 4.933 4.480 0.000 0.000 0.281 349 M C -2.436 173.848 176.300 -0.025 0.000 1.083 349 M CA -0.454 54.881 55.300 0.059 0.000 0.965 349 M CB 1.356 33.969 32.600 0.023 0.000 1.717 349 M HN 0.286 nan 8.290 nan 0.000 0.479 350 W N 3.300 124.631 121.300 0.052 0.000 2.520 350 W HA 0.484 5.144 4.660 -0.000 0.000 0.323 350 W C -0.258 176.303 176.519 0.070 0.000 1.062 350 W CA -0.260 57.118 57.345 0.055 0.000 1.215 350 W CB 1.147 30.634 29.460 0.043 0.000 1.340 350 W HN 0.372 nan 8.180 nan 0.000 0.516 351 E N 2.972 123.334 120.200 0.269 0.000 2.255 351 E HA 0.279 4.629 4.350 0.000 0.000 0.245 351 E C -1.169 175.549 176.600 0.196 0.000 0.909 351 E CA -0.575 55.950 56.400 0.209 0.000 0.747 351 E CB 1.613 31.410 29.700 0.163 0.000 1.215 351 E HN 0.156 nan 8.360 nan 0.000 0.424 352 V N 3.305 123.331 119.914 0.186 0.000 2.333 352 V HA 0.140 4.260 4.120 0.000 0.000 0.274 352 V C 0.470 176.608 176.094 0.074 0.000 1.028 352 V CA -1.022 61.357 62.300 0.131 0.000 0.851 352 V CB 0.962 32.843 31.823 0.096 0.000 1.000 352 V HN 0.471 nan 8.190 nan 0.000 0.456 353 N N 3.823 122.551 118.700 0.046 0.000 2.411 353 N HA -0.048 4.692 4.740 0.000 0.000 0.261 353 N C 0.551 176.027 175.510 -0.057 0.000 1.248 353 N CA 0.368 53.405 53.050 -0.022 0.000 0.885 353 N CB 0.456 38.905 38.487 -0.064 0.000 1.062 353 N HN 0.695 nan 8.380 nan 0.000 0.471 354 E N 2.992 123.146 120.200 -0.075 0.000 2.515 354 E HA 0.070 4.420 4.350 0.000 0.000 0.315 354 E C 0.800 177.293 176.600 -0.178 0.000 1.523 354 E CA -0.321 56.045 56.400 -0.057 0.000 1.704 354 E CB -0.096 29.630 29.700 0.044 0.000 1.395 354 E HN 0.669 nan 8.360 nan 0.000 0.490 355 A N 1.368 124.054 122.820 -0.222 0.000 1.908 355 A HA -0.117 4.203 4.320 0.000 0.000 0.218 355 A C 0.429 177.619 177.584 -0.656 0.000 1.181 355 A CA 1.255 53.058 52.037 -0.391 0.000 0.627 355 A CB -0.003 18.942 19.000 -0.091 0.000 0.818 355 A HN 0.348 nan 8.150 nan 0.000 0.445 356 F N -3.276 116.689 119.950 0.025 0.000 2.608 356 F HA 0.380 4.907 4.527 -0.000 0.000 0.309 356 F C 1.240 177.024 175.800 -0.028 0.000 1.103 356 F CA -0.429 57.588 58.000 0.029 0.000 0.954 356 F CB 1.509 40.526 39.000 0.027 0.000 1.267 356 F HN -0.113 nan 8.300 nan 0.000 0.444 357 S N 1.571 117.375 115.700 0.174 0.000 2.380 357 S HA -0.184 4.286 4.470 0.000 0.000 0.229 357 S C 2.125 176.651 174.600 -0.123 0.000 1.043 357 S CA 1.409 59.627 58.200 0.029 0.000 1.038 357 S CB -0.252 63.064 63.200 0.194 0.000 0.872 357 S HN 0.671 nan 8.310 nan 0.000 0.456 358 L N 2.141 123.368 121.223 0.007 0.000 2.021 358 L HA -0.148 4.192 4.340 0.000 0.000 0.215 358 L C 2.161 178.967 176.870 -0.106 0.000 1.074 358 L CA 2.041 56.846 54.840 -0.057 0.000 0.760 358 L CB -1.316 40.707 42.059 -0.059 0.000 0.889 358 L HN 0.230 nan 8.230 nan 0.000 0.433 359 V N -0.213 119.678 119.914 -0.040 0.000 2.287 359 V HA -0.280 3.840 4.120 0.000 0.000 0.248 359 V C 2.794 178.810 176.094 -0.131 0.000 1.053 359 V CA 1.670 63.938 62.300 -0.052 0.000 1.027 359 V CB -0.604 31.267 31.823 0.079 0.000 0.646 359 V HN 0.362 nan 8.190 nan 0.000 0.447 360 V N -0.242 119.535 119.914 -0.229 0.000 2.343 360 V HA -0.255 3.865 4.120 0.000 0.000 0.247 360 V C 2.318 178.215 176.094 -0.327 0.000 1.051 360 V CA 1.939 64.042 62.300 -0.329 0.000 1.036 360 V CB -0.636 30.817 31.823 -0.617 0.000 0.654 360 V HN 0.434 nan 8.190 nan 0.000 0.451 361 L N 0.306 121.313 121.223 -0.360 0.000 2.012 361 L HA -0.196 4.144 4.340 0.000 0.000 0.210 361 L C 2.782 179.551 176.870 -0.169 0.000 1.073 361 L CA 1.765 56.466 54.840 -0.232 0.000 0.748 361 L CB -0.886 41.068 42.059 -0.177 0.000 0.891 361 L HN 0.364 nan 8.230 nan 0.000 0.431 362 A N -0.102 122.623 122.820 -0.159 0.000 1.902 362 A HA -0.220 4.100 4.320 0.000 0.000 0.217 362 A C 2.107 179.601 177.584 -0.151 0.000 1.181 362 A CA 1.894 53.847 52.037 -0.140 0.000 0.623 362 A CB -0.668 18.250 19.000 -0.137 0.000 0.818 362 A HN 0.489 nan 8.150 nan 0.000 0.443 363 N N -0.269 118.337 118.700 -0.157 0.000 2.188 363 N HA -0.084 4.656 4.740 0.000 0.000 0.184 363 N C 1.754 177.136 175.510 -0.214 0.000 1.018 363 N CA 1.508 54.456 53.050 -0.169 0.000 0.858 363 N CB -0.242 38.166 38.487 -0.132 0.000 0.989 363 N HN 0.528 nan 8.380 nan 0.000 0.426 364 I N 1.557 122.002 120.570 -0.208 0.000 2.226 364 I HA -0.272 3.898 4.170 0.000 0.000 0.245 364 I C 2.599 178.606 176.117 -0.183 0.000 1.100 364 I CA 1.130 62.301 61.300 -0.216 0.000 1.374 364 I CB -0.164 37.738 38.000 -0.163 0.000 1.057 364 I HN 0.112 nan 8.210 nan 0.000 0.413 365 K N 1.020 121.331 120.400 -0.149 0.000 1.991 365 K HA -0.196 4.124 4.320 0.000 0.000 0.212 365 K C 2.225 178.748 176.600 -0.129 0.000 1.049 365 K CA 1.768 57.981 56.287 -0.122 0.000 0.932 365 K CB -0.091 32.346 32.500 -0.105 0.000 0.717 365 K HN 0.161 nan 8.250 nan 0.000 0.441 366 M N 0.423 119.936 119.600 -0.145 0.000 2.229 366 M HA -0.101 4.379 4.480 0.000 0.000 0.264 366 M C 1.826 178.034 176.300 -0.154 0.000 1.063 366 M CA 1.233 56.445 55.300 -0.147 0.000 1.114 366 M CB 0.083 32.577 32.600 -0.178 0.000 1.387 366 M HN 0.156 nan 8.290 nan 0.000 0.420 367 L N -0.594 120.517 121.223 -0.186 0.000 2.529 367 L HA 0.056 4.396 4.340 0.000 0.000 0.223 367 L C -0.021 176.741 176.870 -0.180 0.000 1.113 367 L CA 0.015 54.740 54.840 -0.193 0.000 0.861 367 L CB -0.209 41.679 42.059 -0.285 0.000 1.012 367 L HN 0.254 nan 8.230 nan 0.000 0.461 368 E N 1.698 121.796 120.200 -0.171 0.000 2.230 368 E HA -0.208 4.142 4.350 0.000 0.000 0.206 368 E C -0.157 176.346 176.600 -0.161 0.000 1.309 368 E CA 0.299 56.616 56.400 -0.137 0.000 0.697 368 E CB -1.213 28.434 29.700 -0.089 0.000 1.146 368 E HN 0.459 nan 8.360 nan 0.000 0.363 369 I N -2.283 118.136 120.570 -0.252 0.000 3.076 369 I HA 0.548 4.718 4.170 0.000 0.000 0.313 369 I C 0.359 176.360 176.117 -0.194 0.000 1.053 369 I CA -0.917 60.213 61.300 -0.284 0.000 1.048 369 I CB 1.314 38.928 38.000 -0.644 0.000 1.264 369 I HN -0.091 nan 8.210 nan 0.000 0.498 370 D N 3.194 123.516 120.400 -0.130 0.000 2.325 370 D HA 0.303 4.943 4.640 0.000 0.000 0.251 370 D C -1.897 174.368 176.300 -0.058 0.000 1.196 370 D CA -2.168 51.796 54.000 -0.060 0.000 0.866 370 D CB 1.466 42.266 40.800 -0.000 0.000 1.101 370 D HN 0.233 nan 8.370 nan 0.000 0.476 371 P HA -0.170 nan 4.420 nan 0.000 0.216 371 P C 1.065 178.384 177.300 0.032 0.000 1.150 371 P CA 0.989 64.089 63.100 -0.001 0.000 0.843 371 P CB 0.244 31.954 31.700 0.017 0.000 0.787 372 Q N -0.607 119.209 119.800 0.027 0.000 2.439 372 Q HA -0.091 4.249 4.340 0.000 0.000 0.211 372 Q C 1.448 177.486 176.000 0.064 0.000 0.978 372 Q CA 1.179 57.005 55.803 0.038 0.000 0.897 372 Q CB -0.403 28.352 28.738 0.028 0.000 0.956 372 Q HN 0.406 nan 8.270 nan 0.000 0.483 373 K N -0.191 120.261 120.400 0.088 0.000 2.358 373 K HA 0.168 4.488 4.320 0.000 0.000 0.197 373 K C -0.309 176.425 176.600 0.224 0.000 1.025 373 K CA -0.047 56.339 56.287 0.165 0.000 1.104 373 K CB 1.088 33.731 32.500 0.239 0.000 0.855 373 K HN -0.114 nan 8.250 nan 0.000 0.531 374 V N 2.737 122.743 119.914 0.153 0.000 2.370 374 V HA 0.132 4.252 4.120 0.000 0.000 0.283 374 V C -0.293 175.908 176.094 0.179 0.000 1.023 374 V CA -0.998 61.411 62.300 0.182 0.000 0.857 374 V CB 1.236 33.117 31.823 0.095 0.000 0.985 374 V HN 0.422 nan 8.190 nan 0.000 0.443 375 N N 3.531 122.349 118.700 0.197 0.000 2.714 375 N HA -0.169 4.571 4.740 0.000 0.000 0.253 375 N C 0.861 176.435 175.510 0.106 0.000 1.024 375 N CA 0.344 53.491 53.050 0.162 0.000 0.726 375 N CB -0.529 38.075 38.487 0.194 0.000 0.908 375 N HN 0.568 nan 8.380 nan 0.000 0.542 376 I N -0.365 120.276 120.570 0.119 0.000 2.335 376 I HA -0.183 3.987 4.170 0.000 0.000 0.251 376 I C 1.279 177.426 176.117 0.051 0.000 1.129 376 I CA 1.379 62.726 61.300 0.079 0.000 1.402 376 I CB -0.367 37.681 38.000 0.080 0.000 1.069 376 I HN 0.278 nan 8.210 nan 0.000 0.424 377 N N 0.826 119.571 118.700 0.075 0.000 2.416 377 N HA 0.352 5.092 4.740 0.000 0.000 0.267 377 N C 0.668 176.192 175.510 0.022 0.000 1.294 377 N CA 0.704 53.768 53.050 0.025 0.000 0.891 377 N CB 1.358 39.851 38.487 0.010 0.000 1.238 377 N HN 0.401 nan 8.380 nan 0.000 0.508 378 G N -0.685 108.116 108.800 0.002 0.000 2.685 378 G HA2 0.197 4.157 3.960 0.000 0.000 0.387 378 G HA3 0.197 4.157 3.960 0.000 0.000 0.387 378 G C -0.287 174.601 174.900 -0.019 0.000 1.324 378 G CA -0.540 44.547 45.100 -0.021 0.000 0.878 378 G HN 0.579 nan 8.290 nan 0.000 0.527 379 G N -3.021 105.759 108.800 -0.034 0.000 2.494 379 G HA2 0.739 4.699 3.960 0.000 0.000 0.308 379 G HA3 0.739 4.699 3.960 0.000 0.000 0.308 379 G C 0.912 175.783 174.900 -0.049 0.000 1.263 379 G CA 1.161 46.248 45.100 -0.022 0.000 0.840 379 G HN 2.146 nan 8.290 nan 0.000 0.479 380 A N -0.826 121.958 122.820 -0.061 0.000 2.070 380 A HA 0.201 4.521 4.320 0.000 0.000 0.220 380 A C 2.374 179.909 177.584 -0.082 0.000 1.159 380 A CA 2.340 54.324 52.037 -0.089 0.000 0.656 380 A CB -0.453 18.410 19.000 -0.229 0.000 0.800 380 A HN 0.986 nan 8.150 nan 0.000 0.453 381 V N 0.434 120.301 119.914 -0.078 0.000 2.548 381 V HA -0.165 3.955 4.120 0.000 0.000 0.249 381 V C 2.711 178.659 176.094 -0.244 0.000 1.055 381 V CA 2.261 64.513 62.300 -0.080 0.000 1.065 381 V CB -0.219 31.617 31.823 0.021 0.000 0.681 381 V HN 0.825 nan 8.190 nan 0.000 0.462 382 S N -1.824 113.655 115.700 -0.368 0.000 2.514 382 S HA 0.208 4.678 4.470 0.000 0.000 0.223 382 S C 1.624 176.140 174.600 -0.141 0.000 1.046 382 S CA 0.041 57.855 58.200 -0.642 0.000 0.914 382 S CB 0.030 62.735 63.200 -0.826 0.000 0.807 382 S HN 0.423 nan 8.310 nan 0.000 0.497 383 L N 1.332 122.523 121.223 -0.054 0.000 2.416 383 L HA 0.418 4.758 4.340 0.000 0.000 0.216 383 L C 1.261 178.160 176.870 0.049 0.000 1.098 383 L CA 0.506 55.372 54.840 0.044 0.000 0.840 383 L CB -0.367 41.704 42.059 0.019 0.000 0.981 383 L HN 0.646 nan 8.230 nan 0.000 0.462 384 G N -0.338 108.482 108.800 0.033 0.000 2.570 384 G HA2 -0.182 3.778 3.960 0.000 0.000 0.686 384 G HA3 -0.182 3.778 3.960 0.000 0.000 0.686 384 G C -1.136 173.827 174.900 0.105 0.000 1.257 384 G CA -0.770 44.369 45.100 0.065 0.000 0.846 384 G HN 0.246 nan 8.290 nan 0.000 0.627 385 H N 1.363 120.418 119.070 -0.025 0.000 2.380 385 H HA 0.549 5.105 4.556 0.000 0.000 0.231 385 H C -2.497 172.813 175.328 -0.030 0.000 1.415 385 H CA -2.253 53.770 56.048 -0.041 0.000 1.433 385 H CB 0.939 30.650 29.762 -0.086 0.000 1.544 385 H HN 0.365 nan 8.280 nan 0.000 0.503 386 P HA 0.052 nan 4.420 nan 0.000 0.273 386 P C 1.726 178.956 177.300 -0.116 0.000 1.319 386 P CA -0.119 62.949 63.100 -0.053 0.000 0.885 386 P CB 0.012 31.719 31.700 0.011 0.000 1.015 387 I N 1.067 121.460 120.570 -0.295 0.000 2.208 387 I HA -0.159 4.011 4.170 0.000 0.000 0.245 387 I C 1.772 177.824 176.117 -0.108 0.000 1.097 387 I CA 2.028 63.089 61.300 -0.398 0.000 1.363 387 I CB -1.257 36.469 38.000 -0.457 0.000 1.051 387 I HN 0.236 nan 8.210 nan 0.000 0.413 388 G N 0.803 109.562 108.800 -0.068 0.000 2.572 388 G HA2 -0.097 3.863 3.960 0.000 0.000 0.216 388 G HA3 -0.097 3.863 3.960 0.000 0.000 0.216 388 G C 1.663 176.572 174.900 0.014 0.000 1.133 388 G CA 0.553 45.641 45.100 -0.020 0.000 0.791 388 G HN 0.436 nan 8.290 nan 0.000 0.538 389 M N 0.567 120.182 119.600 0.024 0.000 2.394 389 M HA 0.077 4.557 4.480 0.000 0.000 0.266 389 M C 2.291 178.634 176.300 0.071 0.000 1.098 389 M CA 0.815 56.142 55.300 0.045 0.000 1.149 389 M CB -0.142 32.483 32.600 0.042 0.000 1.369 389 M HN 0.156 nan 8.290 nan 0.000 0.450 390 S N 1.045 116.810 115.700 0.109 0.000 2.370 390 S HA -0.096 4.374 4.470 0.000 0.000 0.226 390 S C 1.890 176.542 174.600 0.087 0.000 1.033 390 S CA 1.475 59.750 58.200 0.126 0.000 1.011 390 S CB -0.923 62.411 63.200 0.223 0.000 0.852 390 S HN 0.746 nan 8.310 nan 0.000 0.457 391 G N 1.181 110.031 108.800 0.083 0.000 2.442 391 G HA2 -0.067 3.893 3.960 0.000 0.000 0.219 391 G HA3 -0.067 3.893 3.960 0.000 0.000 0.219 391 G C 1.495 176.428 174.900 0.054 0.000 1.141 391 G CA 0.925 46.062 45.100 0.063 0.000 0.763 391 G HN 0.593 nan 8.290 nan 0.000 0.554 392 A N 0.460 123.312 122.820 0.053 0.000 1.929 392 A HA 0.117 4.437 4.320 0.000 0.000 0.216 392 A C 2.283 179.909 177.584 0.071 0.000 1.176 392 A CA 1.593 53.661 52.037 0.052 0.000 0.628 392 A CB -0.404 18.624 19.000 0.047 0.000 0.816 392 A HN 0.350 nan 8.150 nan 0.000 0.444 393 R N 0.597 121.144 120.500 0.079 0.000 2.080 393 R HA -0.163 4.177 4.340 0.000 0.000 0.236 393 R C 2.118 178.494 176.300 0.127 0.000 1.137 393 R CA 2.166 58.323 56.100 0.096 0.000 0.943 393 R CB -0.592 29.753 30.300 0.075 0.000 0.846 393 R HN 0.687 nan 8.270 nan 0.000 0.431 394 I N -1.728 118.907 120.570 0.109 0.000 2.394 394 I HA -0.120 4.050 4.170 0.000 0.000 0.251 394 I C 1.877 178.078 176.117 0.140 0.000 1.136 394 I CA 0.963 62.344 61.300 0.135 0.000 1.425 394 I CB -0.386 37.675 38.000 0.102 0.000 1.079 394 I HN -0.053 nan 8.210 nan 0.000 0.425 395 V N 2.487 122.458 119.914 0.094 0.000 2.358 395 V HA -0.125 3.995 4.120 0.000 0.000 0.246 395 V C 2.902 179.031 176.094 0.059 0.000 1.047 395 V CA 2.138 64.475 62.300 0.062 0.000 1.035 395 V CB -1.463 30.381 31.823 0.036 0.000 0.658 395 V HN 0.635 nan 8.190 nan 0.000 0.452 396 G N -1.137 107.718 108.800 0.093 0.000 2.432 396 G HA2 -0.320 3.640 3.960 0.000 0.000 0.219 396 G HA3 -0.320 3.640 3.960 0.000 0.000 0.219 396 G C 1.454 176.467 174.900 0.189 0.000 1.135 396 G CA 1.207 46.373 45.100 0.109 0.000 0.767 396 G HN 0.628 nan 8.290 nan 0.000 0.550 397 H N 0.355 119.501 119.070 0.126 0.000 2.333 397 H HA 0.159 4.715 4.556 0.000 0.000 0.302 397 H C 2.557 177.934 175.328 0.082 0.000 1.075 397 H CA 1.113 57.250 56.048 0.148 0.000 1.348 397 H CB -0.256 29.591 29.762 0.142 0.000 1.393 397 H HN 0.242 nan 8.280 nan 0.000 0.509 398 L N -0.438 120.780 121.223 -0.008 0.000 2.042 398 L HA -0.217 4.123 4.340 0.000 0.000 0.210 398 L C 2.416 179.209 176.870 -0.128 0.000 1.076 398 L CA 1.829 56.620 54.840 -0.083 0.000 0.749 398 L CB -0.669 41.376 42.059 -0.023 0.000 0.893 398 L HN 0.363 nan 8.230 nan 0.000 0.432 399 T N -1.992 112.485 114.554 -0.129 0.000 2.720 399 T HA -0.246 4.104 4.350 0.000 0.000 0.268 399 T C 1.649 176.185 174.700 -0.274 0.000 1.037 399 T CA 1.819 63.791 62.100 -0.214 0.000 1.144 399 T CB -0.368 68.330 68.868 -0.282 0.000 0.864 399 T HN 0.489 nan 8.240 nan 0.000 0.444 400 H N 0.163 119.155 119.070 -0.130 0.000 2.448 400 H HA 0.414 4.970 4.556 -0.000 0.000 0.292 400 H C 2.425 177.624 175.328 -0.215 0.000 1.035 400 H CA 0.802 56.760 56.048 -0.150 0.000 1.349 400 H CB -0.038 29.648 29.762 -0.127 0.000 1.425 400 H HN 0.368 nan 8.280 nan 0.000 0.539 401 A N 0.956 123.649 122.820 -0.212 0.000 1.930 401 A HA 0.069 4.389 4.320 0.000 0.000 0.215 401 A C 0.953 178.447 177.584 -0.150 0.000 1.176 401 A CA 0.124 52.008 52.037 -0.254 0.000 0.632 401 A CB -0.482 18.264 19.000 -0.424 0.000 0.819 401 A HN 0.166 nan 8.150 nan 0.000 0.445 402 L N 0.750 121.894 121.223 -0.131 0.000 2.506 402 L HA 0.052 4.392 4.340 0.000 0.000 0.281 402 L C 0.313 177.128 176.870 -0.091 0.000 1.228 402 L CA 0.109 54.889 54.840 -0.101 0.000 0.850 402 L CB 0.334 42.331 42.059 -0.104 0.000 1.110 402 L HN 0.260 nan 8.230 nan 0.000 0.496 403 K N 1.662 122.014 120.400 -0.080 0.000 2.087 403 K HA 0.198 4.518 4.320 0.000 0.000 0.255 403 K C -0.328 176.220 176.600 -0.087 0.000 0.988 403 K CA -0.765 55.478 56.287 -0.073 0.000 0.915 403 K CB 0.770 33.235 32.500 -0.058 0.000 1.043 403 K HN 0.456 nan 8.250 nan 0.000 0.457 404 Q N 0.475 120.227 119.800 -0.080 0.000 2.436 404 Q HA -0.126 4.214 4.340 0.000 0.000 0.326 404 Q C 0.667 176.601 176.000 -0.110 0.000 1.079 404 Q CA 1.529 57.279 55.803 -0.089 0.000 1.049 404 Q CB -0.152 28.545 28.738 -0.069 0.000 1.047 404 Q HN 0.863 nan 8.270 nan 0.000 0.386 405 G N 3.046 111.755 108.800 -0.151 0.000 2.205 405 G HA2 -0.291 3.669 3.960 0.000 0.000 0.261 405 G HA3 -0.291 3.669 3.960 0.000 0.000 0.261 405 G C -0.182 174.543 174.900 -0.292 0.000 0.980 405 G CA 0.307 45.282 45.100 -0.209 0.000 0.632 405 G HN 0.658 nan 8.290 nan 0.000 0.533 406 E N -0.362 119.706 120.200 -0.220 0.000 2.383 406 E HA 0.431 4.781 4.350 0.000 0.000 0.264 406 E C -0.593 175.844 176.600 -0.271 0.000 1.050 406 E CA -0.328 55.957 56.400 -0.190 0.000 0.896 406 E CB 0.513 30.153 29.700 -0.099 0.000 0.982 406 E HN 0.325 nan 8.360 nan 0.000 0.424 407 Y N 0.008 120.258 120.300 -0.084 0.000 2.320 407 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 407 Y C 0.740 176.538 175.900 -0.169 0.000 1.055 407 Y CA -0.398 57.632 58.100 -0.118 0.000 1.143 407 Y CB 1.933 40.319 38.460 -0.124 0.000 1.193 407 Y HN 0.485 nan 8.280 nan 0.000 0.477 408 G N 3.815 112.610 108.800 -0.008 0.000 2.530 408 G HA2 0.592 4.552 3.960 0.000 0.000 0.316 408 G HA3 0.592 4.552 3.960 0.000 0.000 0.316 408 G C -1.946 172.842 174.900 -0.186 0.000 1.298 408 G CA -0.693 44.332 45.100 -0.125 0.000 0.948 408 G HN 0.620 nan 8.290 nan 0.000 0.486 409 L N 2.140 123.140 121.223 -0.373 0.000 2.333 409 L HA 0.787 5.127 4.340 0.000 0.000 0.280 409 L C 0.193 176.980 176.870 -0.138 0.000 1.004 409 L CA -0.720 53.910 54.840 -0.350 0.000 0.820 409 L CB 1.677 43.297 42.059 -0.732 0.000 1.247 409 L HN 0.617 nan 8.230 nan 0.000 0.416 410 A N 3.300 126.108 122.820 -0.020 0.000 2.318 410 A HA 0.809 5.129 4.320 0.000 0.000 0.324 410 A C -0.589 177.050 177.584 0.092 0.000 1.170 410 A CA -0.326 51.749 52.037 0.064 0.000 0.810 410 A CB 1.331 20.369 19.000 0.063 0.000 1.198 410 A HN 0.677 nan 8.150 nan 0.000 0.484 411 S N 1.381 117.158 115.700 0.128 0.000 2.570 411 S HA 0.840 5.310 4.470 0.000 0.000 0.286 411 S C -0.792 173.871 174.600 0.106 0.000 1.099 411 S CA -0.595 57.680 58.200 0.125 0.000 0.913 411 S CB 1.499 64.794 63.200 0.158 0.000 1.085 411 S HN 1.314 nan 8.310 nan 0.000 0.480 412 I N 1.541 122.170 120.570 0.100 0.000 2.667 412 I HA 0.419 4.589 4.170 0.000 0.000 0.288 412 I C -0.437 175.747 176.117 0.110 0.000 1.267 412 I CA -0.695 60.659 61.300 0.089 0.000 1.055 412 I CB 1.121 39.165 38.000 0.072 0.000 1.294 412 I HN 1.236 nan 8.210 nan 0.000 0.429 413 C N 5.427 124.811 119.300 0.140 0.000 2.580 413 C HA 0.675 5.135 4.460 0.000 0.000 0.371 413 C C -0.211 174.856 174.990 0.128 0.000 1.308 413 C CA -0.290 58.844 59.018 0.194 0.000 2.428 413 C CB 0.419 28.378 27.740 0.364 0.000 2.529 413 C HN 0.876 nan 8.230 nan 0.000 0.657 414 N N 0.360 119.113 118.700 0.089 0.000 2.331 414 N HA 0.410 5.150 4.740 0.000 0.000 0.280 414 N C -0.345 175.096 175.510 -0.114 0.000 1.155 414 N CA -0.277 52.764 53.050 -0.015 0.000 0.822 414 N CB 1.699 40.194 38.487 0.013 0.000 1.619 414 N HN 1.102 nan 8.380 nan 0.000 0.476 415 G N -0.844 107.826 108.800 -0.217 0.000 2.391 415 G HA2 0.339 4.299 3.960 0.000 0.000 0.234 415 G HA3 0.339 4.299 3.960 0.000 0.000 0.234 415 G C 1.171 176.036 174.900 -0.058 0.000 1.284 415 G CA 0.578 45.532 45.100 -0.244 0.000 0.873 415 G HN 1.397 nan 8.290 nan 0.000 0.549 416 G N 0.233 109.050 108.800 0.029 0.000 2.232 416 G HA2 0.237 4.197 3.960 0.000 0.000 0.226 416 G HA3 0.237 4.197 3.960 0.000 0.000 0.226 416 G C 1.290 176.272 174.900 0.137 0.000 0.996 416 G CA 0.868 46.064 45.100 0.160 0.000 0.626 416 G HN 2.689 nan 8.290 nan 0.000 0.509 417 G N -0.913 107.974 108.800 0.145 0.000 2.145 417 G HA2 0.396 4.356 3.960 0.000 0.000 0.176 417 G HA3 0.396 4.356 3.960 0.000 0.000 0.176 417 G C 0.958 175.944 174.900 0.143 0.000 1.013 417 G CA 0.800 46.008 45.100 0.180 0.000 0.689 417 G HN 1.996 nan 8.290 nan 0.000 0.506 418 G N -1.049 107.828 108.800 0.127 0.000 2.552 418 G HA2 1.081 5.041 3.960 0.000 0.000 0.324 418 G HA3 1.081 5.041 3.960 0.000 0.000 0.324 418 G C -0.239 174.740 174.900 0.131 0.000 1.217 418 G CA -0.023 45.141 45.100 0.106 0.000 0.989 418 G HN 1.717 nan 8.290 nan 0.000 0.490 419 A N -0.627 122.263 122.820 0.116 0.000 2.604 419 A HA 0.789 5.109 4.320 0.000 0.000 0.295 419 A C -0.522 177.124 177.584 0.104 0.000 1.067 419 A CA -0.479 51.630 52.037 0.120 0.000 0.683 419 A CB 1.379 20.465 19.000 0.143 0.000 1.281 419 A HN 0.991 nan 8.150 nan 0.000 0.407 420 S N -0.445 115.313 115.700 0.097 0.000 2.568 420 S HA 0.914 5.384 4.470 0.000 0.000 0.302 420 S C -0.219 174.444 174.600 0.105 0.000 1.082 420 S CA 0.034 58.291 58.200 0.094 0.000 1.009 420 S CB 1.799 65.039 63.200 0.067 0.000 1.069 420 S HN 1.917 nan 8.310 nan 0.000 0.500 421 A N 1.982 124.873 122.820 0.119 0.000 2.515 421 A HA 0.859 5.179 4.320 0.000 0.000 0.298 421 A C -1.108 176.560 177.584 0.140 0.000 1.059 421 A CA -0.636 51.471 52.037 0.117 0.000 0.698 421 A CB 1.564 20.633 19.000 0.115 0.000 1.289 421 A HN 0.818 nan 8.150 nan 0.000 0.404 422 M N 2.101 121.766 119.600 0.109 0.000 2.386 422 M HA 0.690 5.170 4.480 0.000 0.000 0.293 422 M C -2.260 174.076 176.300 0.060 0.000 1.120 422 M CA -0.886 54.495 55.300 0.135 0.000 0.909 422 M CB 1.828 34.496 32.600 0.114 0.000 1.661 422 M HN 0.760 nan 8.290 nan 0.000 0.452 423 L N 6.993 128.254 121.223 0.063 0.000 2.313 423 L HA 0.781 5.121 4.340 0.000 0.000 0.283 423 L C -1.254 175.652 176.870 0.060 0.000 1.013 423 L CA -0.393 54.453 54.840 0.009 0.000 0.816 423 L CB 1.452 43.486 42.059 -0.041 0.000 1.236 423 L HN 0.751 nan 8.230 nan 0.000 0.419 424 I N 1.338 121.939 120.570 0.051 0.000 2.892 424 I HA 0.656 4.826 4.170 0.000 0.000 0.306 424 I C -1.209 174.943 176.117 0.059 0.000 1.078 424 I CA -0.735 60.596 61.300 0.052 0.000 1.032 424 I CB 2.088 40.093 38.000 0.009 0.000 1.229 424 I HN 0.768 nan 8.210 nan 0.000 0.435 425 Q N 3.118 122.909 119.800 -0.015 0.000 2.321 425 Q HA 0.378 4.718 4.340 0.000 0.000 0.270 425 Q C -1.175 174.728 176.000 -0.162 0.000 1.032 425 Q CA -0.962 54.734 55.803 -0.178 0.000 0.784 425 Q CB 2.116 30.640 28.738 -0.356 0.000 1.264 425 Q HN 0.643 nan 8.270 nan 0.000 0.448 426 K N 2.751 123.045 120.400 -0.178 0.000 2.401 426 K HA 0.168 4.488 4.320 0.000 0.000 0.278 426 K C -0.797 175.722 176.600 -0.136 0.000 1.018 426 K CA -0.053 56.150 56.287 -0.140 0.000 0.981 426 K CB 0.323 32.745 32.500 -0.131 0.000 0.933 426 K HN 0.458 nan 8.250 nan 0.000 0.477 427 L N 0.000 121.160 121.223 -0.104 0.000 2.949 427 L HA 0.000 4.340 4.340 0.000 0.000 0.249 427 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 427 L CB 0.000 42.018 42.059 -0.069 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502