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 2ibu_1_C DATA FIRST_RESID 35 DATA SEQUENCE SKPTLKEVVI VSATRTPIGS FLGSLSLLPA TKLGSIAIQG AIEKAGIPKE DATA SEQUENCE EVKEAYMGNV LQGGEGQAPT RQAVLGAGLP ISTPCTTINK VXASGMKAIM 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 -0.010 0.000 1.055 35 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 35 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 36 K N 2.765 123.158 120.400 -0.012 0.000 2.206 36 K HA 0.694 5.014 4.320 -0.000 0.000 0.264 36 K C -2.839 173.751 176.600 -0.016 0.000 0.967 36 K CA -1.925 54.352 56.287 -0.016 0.000 0.844 36 K CB 0.835 33.323 32.500 -0.021 0.000 1.099 36 K HN 0.300 nan 8.250 nan 0.000 0.441 37 P HA -0.026 nan 4.420 nan 0.000 0.265 37 P C -1.096 176.192 177.300 -0.020 0.000 1.187 37 P CA -0.110 62.980 63.100 -0.017 0.000 0.766 37 P CB 0.497 32.186 31.700 -0.018 0.000 0.820 38 T N 1.035 115.578 114.554 -0.017 0.000 2.753 38 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 38 T C -0.194 174.494 174.700 -0.021 0.000 0.981 38 T CA -0.754 61.335 62.100 -0.018 0.000 0.956 38 T CB -0.124 68.736 68.868 -0.013 0.000 0.936 38 T HN 0.132 nan 8.240 nan 0.000 0.463 39 L N 2.319 123.528 121.223 -0.023 0.000 2.319 39 L HA 0.594 4.934 4.340 -0.000 0.000 0.267 39 L C 0.500 177.357 176.870 -0.020 0.000 1.011 39 L CA -1.588 53.237 54.840 -0.026 0.000 0.818 39 L CB 1.454 43.497 42.059 -0.027 0.000 1.316 39 L HN 0.385 nan 8.230 nan 0.000 0.432 40 K N 1.761 122.148 120.400 -0.022 0.000 2.401 40 K HA 0.048 4.368 4.320 -0.000 0.000 0.278 40 K C -0.195 176.402 176.600 -0.005 0.000 1.018 40 K CA 0.082 56.360 56.287 -0.015 0.000 0.981 40 K CB 0.834 33.322 32.500 -0.019 0.000 0.933 40 K HN 0.561 nan 8.250 nan 0.000 0.477 41 E N 2.034 122.232 120.200 -0.004 0.000 2.344 41 E HA 0.103 4.453 4.350 -0.000 0.000 0.270 41 E C -0.979 175.625 176.600 0.007 0.000 1.021 41 E CA -0.459 55.942 56.400 0.002 0.000 0.887 41 E CB 0.755 30.453 29.700 -0.003 0.000 0.997 41 E HN 0.118 nan 8.360 nan 0.000 0.429 42 V N 5.966 125.893 119.914 0.021 0.000 2.398 42 V HA 0.327 4.447 4.120 -0.000 0.000 0.286 42 V C -0.050 176.054 176.094 0.017 0.000 1.026 42 V CA -0.682 61.633 62.300 0.024 0.000 0.868 42 V CB 1.180 33.036 31.823 0.056 0.000 0.982 42 V HN 0.592 nan 8.190 nan 0.000 0.443 43 V N 3.231 123.145 119.914 0.000 0.000 2.769 43 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 43 V C -0.483 175.599 176.094 -0.020 0.000 1.061 43 V CA -0.898 61.395 62.300 -0.012 0.000 0.931 43 V CB 2.019 33.830 31.823 -0.020 0.000 1.010 43 V HN 0.649 nan 8.190 nan 0.000 0.433 44 I N 3.454 124.006 120.570 -0.031 0.000 2.304 44 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 44 I C 0.806 176.891 176.117 -0.054 0.000 1.018 44 I CA -0.246 61.029 61.300 -0.042 0.000 1.260 44 I CB 1.770 39.737 38.000 -0.055 0.000 1.390 44 I HN 0.527 nan 8.210 nan 0.000 0.475 45 V N 3.961 123.849 119.914 -0.042 0.000 3.125 45 V HA 0.062 4.181 4.120 -0.000 0.000 0.249 45 V C 0.679 176.751 176.094 -0.037 0.000 1.113 45 V CA 0.722 62.999 62.300 -0.038 0.000 1.106 45 V CB 0.052 31.860 31.823 -0.024 0.000 0.768 45 V HN 0.866 nan 8.190 nan 0.000 0.468 46 S N -0.746 114.936 115.700 -0.030 0.000 2.596 46 S HA 0.852 5.322 4.470 -0.000 0.000 0.270 46 S C -0.962 173.643 174.600 0.009 0.000 1.155 46 S CA -0.107 58.090 58.200 -0.005 0.000 0.827 46 S CB 2.435 65.655 63.200 0.032 0.000 1.130 46 S HN 0.747 nan 8.310 nan 0.000 0.467 47 A N 1.401 124.273 122.820 0.086 0.000 2.497 47 A HA 0.793 5.113 4.320 -0.000 0.000 0.280 47 A C -0.296 177.442 177.584 0.257 0.000 1.065 47 A CA -0.255 51.868 52.037 0.144 0.000 0.781 47 A CB 0.858 19.920 19.000 0.103 0.000 1.289 47 A HN 1.747 nan 8.150 nan 0.000 0.415 48 T N -0.097 114.545 114.554 0.146 0.000 2.906 48 T HA 0.896 5.246 4.350 -0.000 0.000 0.295 48 T C -0.421 174.332 174.700 0.089 0.000 1.061 48 T CA -0.829 61.340 62.100 0.114 0.000 1.000 48 T CB 1.760 70.678 68.868 0.084 0.000 1.103 48 T HN 1.267 nan 8.240 nan 0.000 0.486 49 R N -0.314 120.232 120.500 0.077 0.000 2.799 49 R HA 0.729 5.069 4.340 -0.000 0.000 0.270 49 R C -0.344 175.995 176.300 0.065 0.000 1.010 49 R CA -0.962 55.179 56.100 0.068 0.000 0.916 49 R CB 0.877 31.219 30.300 0.070 0.000 1.228 49 R HN 0.793 nan 8.270 nan 0.000 0.469 50 T N -0.941 113.647 114.554 0.058 0.000 2.788 50 T HA 0.416 4.766 4.350 -0.000 0.000 0.287 50 T C -2.154 172.587 174.700 0.068 0.000 1.007 50 T CA -1.519 60.615 62.100 0.057 0.000 1.005 50 T CB 0.750 69.644 68.868 0.042 0.000 1.012 50 T HN 0.414 nan 8.240 nan 0.000 0.530 51 P HA 0.347 nan 4.420 nan 0.000 0.272 51 P C -0.478 176.848 177.300 0.042 0.000 1.230 51 P CA -0.556 62.587 63.100 0.071 0.000 0.788 51 P CB 0.248 31.965 31.700 0.028 0.000 0.949 52 I N 0.842 121.437 120.570 0.041 0.000 2.352 52 I HA 0.317 4.486 4.170 -0.000 0.000 0.290 52 I C 1.230 177.362 176.117 0.025 0.000 1.036 52 I CA -0.045 61.278 61.300 0.038 0.000 1.336 52 I CB 0.597 38.626 38.000 0.048 0.000 1.407 52 I HN 0.316 nan 8.210 nan 0.000 0.497 53 G N 4.121 112.936 108.800 0.026 0.000 2.448 53 G HA2 0.401 4.360 3.960 -0.000 0.000 0.285 53 G HA3 0.401 4.360 3.960 -0.000 0.000 0.285 53 G C -0.258 174.670 174.900 0.048 0.000 1.176 53 G CA -0.322 44.789 45.100 0.019 0.000 0.852 53 G HN 0.573 nan 8.290 nan 0.000 0.530 54 S N -0.260 115.467 115.700 0.045 0.000 2.614 54 S HA 0.269 4.739 4.470 -0.000 0.000 0.265 54 S C -0.126 174.555 174.600 0.134 0.000 1.303 54 S CA -0.395 57.860 58.200 0.091 0.000 1.000 54 S CB 0.735 63.976 63.200 0.068 0.000 0.935 54 S HN 0.435 nan 8.310 nan 0.000 0.551 55 F N 2.330 122.287 119.950 0.011 0.000 2.590 55 F HA 0.142 4.669 4.527 -0.000 0.000 0.389 55 F C 0.955 176.759 175.800 0.006 0.000 1.049 55 F CA -0.296 57.709 58.000 0.009 0.000 1.199 55 F CB -0.907 38.104 39.000 0.018 0.000 1.058 55 F HN 0.504 nan 8.300 nan 0.000 0.556 56 L N 4.271 125.202 121.223 -0.487 0.000 4.291 56 L HA -0.286 4.053 4.340 -0.000 0.000 0.413 56 L C 0.957 177.724 176.870 -0.171 0.000 1.162 56 L CA 0.480 55.078 54.840 -0.403 0.000 0.961 56 L CB -2.293 39.471 42.059 -0.491 0.000 2.095 56 L HN 0.810 nan 8.230 nan 0.000 0.838 57 G N -0.264 108.479 108.800 -0.095 0.000 2.945 57 G HA2 0.394 4.354 3.960 -0.000 0.000 0.156 57 G HA3 0.394 4.354 3.960 -0.000 0.000 0.156 57 G C 1.049 175.921 174.900 -0.047 0.000 1.375 57 G CA 0.424 45.493 45.100 -0.051 0.000 1.039 57 G HN 0.287 nan 8.290 nan 0.000 0.586 58 S N -0.700 114.978 115.700 -0.037 0.000 2.419 58 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 58 S C 1.770 176.352 174.600 -0.029 0.000 1.019 58 S CA 1.140 59.318 58.200 -0.037 0.000 0.982 58 S CB -0.246 62.928 63.200 -0.042 0.000 0.789 58 S HN 0.271 nan 8.310 nan 0.000 0.490 59 L N 1.818 123.027 121.223 -0.023 0.000 2.857 59 L HA 0.276 4.616 4.340 -0.000 0.000 0.249 59 L C 2.067 178.926 176.870 -0.020 0.000 1.172 59 L CA 0.364 55.195 54.840 -0.015 0.000 0.980 59 L CB 0.011 42.068 42.059 -0.003 0.000 1.299 59 L HN 0.405 nan 8.230 nan 0.000 0.535 60 S N -0.192 115.486 115.700 -0.037 0.000 2.442 60 S HA -0.097 4.373 4.470 -0.000 0.000 0.236 60 S C 1.682 176.255 174.600 -0.046 0.000 1.007 60 S CA 0.782 58.949 58.200 -0.055 0.000 0.965 60 S CB -0.267 62.871 63.200 -0.104 0.000 0.773 60 S HN 0.467 nan 8.310 nan 0.000 0.504 61 L N 0.393 121.595 121.223 -0.035 0.000 2.418 61 L HA 0.286 4.626 4.340 -0.000 0.000 0.218 61 L C 0.427 177.287 176.870 -0.017 0.000 1.125 61 L CA 0.257 55.081 54.840 -0.027 0.000 0.835 61 L CB -0.241 41.804 42.059 -0.024 0.000 0.953 61 L HN 0.277 nan 8.230 nan 0.000 0.454 62 L N 0.995 122.210 121.223 -0.013 0.000 2.276 62 L HA 0.312 4.652 4.340 -0.000 0.000 0.286 62 L C -2.134 174.734 176.870 -0.003 0.000 1.061 62 L CA -2.083 52.754 54.840 -0.005 0.000 0.807 62 L CB 0.513 42.571 42.059 -0.001 0.000 1.177 62 L HN -0.231 nan 8.230 nan 0.000 0.429 63 P HA 0.013 nan 4.420 nan 0.000 0.269 63 P C 0.380 177.682 177.300 0.004 0.000 1.215 63 P CA -0.072 63.029 63.100 0.001 0.000 0.780 63 P CB 0.855 32.556 31.700 0.001 0.000 0.898 64 A N 2.503 125.326 122.820 0.005 0.000 1.927 64 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 64 A C 2.035 179.624 177.584 0.009 0.000 1.185 64 A CA 2.822 54.864 52.037 0.007 0.000 0.639 64 A CB -2.190 16.812 19.000 0.003 0.000 0.820 64 A HN 0.660 nan 8.150 nan 0.000 0.451 65 T N -2.091 112.467 114.554 0.008 0.000 2.833 65 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 65 T C 1.800 176.507 174.700 0.011 0.000 1.054 65 T CA 1.817 63.923 62.100 0.010 0.000 1.135 65 T CB -0.201 68.672 68.868 0.008 0.000 0.869 65 T HN 0.417 nan 8.240 nan 0.000 0.466 66 K N 1.319 121.724 120.400 0.010 0.000 2.062 66 K HA 0.203 4.523 4.320 -0.000 0.000 0.205 66 K C 2.220 178.828 176.600 0.013 0.000 1.051 66 K CA 0.947 57.240 56.287 0.010 0.000 0.941 66 K CB -0.781 31.724 32.500 0.007 0.000 0.719 66 K HN 0.447 nan 8.250 nan 0.000 0.440 67 L N -0.221 121.010 121.223 0.014 0.000 2.042 67 L HA -0.108 4.231 4.340 -0.000 0.000 0.210 67 L C 2.451 179.334 176.870 0.022 0.000 1.076 67 L CA 1.533 56.384 54.840 0.018 0.000 0.749 67 L CB -1.107 40.963 42.059 0.019 0.000 0.893 67 L HN 0.451 nan 8.230 nan 0.000 0.432 68 G N -0.644 108.168 108.800 0.021 0.000 2.476 68 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 68 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 68 G C 1.742 176.656 174.900 0.023 0.000 1.164 68 G CA 1.103 46.217 45.100 0.023 0.000 0.768 68 G HN 0.358 nan 8.290 nan 0.000 0.560 69 S N 0.366 116.077 115.700 0.020 0.000 2.382 69 S HA -0.047 4.423 4.470 -0.000 0.000 0.228 69 S C 2.284 176.896 174.600 0.020 0.000 1.027 69 S CA 0.965 59.176 58.200 0.018 0.000 0.991 69 S CB -0.203 63.006 63.200 0.015 0.000 0.823 69 S HN 0.396 nan 8.310 nan 0.000 0.469 70 I N 1.480 122.063 120.570 0.021 0.000 2.202 70 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 70 I C 2.681 178.816 176.117 0.030 0.000 1.091 70 I CA 1.152 62.466 61.300 0.024 0.000 1.368 70 I CB -0.463 37.552 38.000 0.024 0.000 1.058 70 I HN 0.264 nan 8.210 nan 0.000 0.410 71 A N 0.807 123.647 122.820 0.032 0.000 1.933 71 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 71 A C 2.300 179.905 177.584 0.036 0.000 1.175 71 A CA 1.474 53.534 52.037 0.039 0.000 0.628 71 A CB -0.782 18.242 19.000 0.041 0.000 0.814 71 A HN 0.386 nan 8.150 nan 0.000 0.444 72 I N -1.029 119.559 120.570 0.030 0.000 2.202 72 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 72 I C 2.813 178.944 176.117 0.023 0.000 1.091 72 I CA 1.709 63.024 61.300 0.025 0.000 1.368 72 I CB -0.367 37.645 38.000 0.021 0.000 1.058 72 I HN 0.494 nan 8.210 nan 0.000 0.410 73 Q N 0.871 120.684 119.800 0.022 0.000 2.061 73 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 73 Q C 2.233 178.247 176.000 0.024 0.000 0.984 73 Q CA 2.050 57.865 55.803 0.020 0.000 0.846 73 Q CB -0.334 28.415 28.738 0.019 0.000 0.902 73 Q HN 0.568 nan 8.270 nan 0.000 0.421 74 G N 0.104 108.922 108.800 0.030 0.000 2.440 74 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 74 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 74 G C 1.427 176.351 174.900 0.040 0.000 1.154 74 G CA 0.916 46.038 45.100 0.036 0.000 0.767 74 G HN 0.503 nan 8.290 nan 0.000 0.552 75 A N 0.618 123.462 122.820 0.040 0.000 1.902 75 A HA 0.079 4.399 4.320 -0.000 0.000 0.217 75 A C 2.388 179.989 177.584 0.029 0.000 1.181 75 A CA 1.272 53.333 52.037 0.041 0.000 0.623 75 A CB -0.315 18.707 19.000 0.038 0.000 0.818 75 A HN 0.379 nan 8.150 nan 0.000 0.443 76 I N -0.599 119.984 120.570 0.021 0.000 2.353 76 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 76 I C 2.449 178.576 176.117 0.016 0.000 1.119 76 I CA 1.268 62.577 61.300 0.014 0.000 1.417 76 I CB -0.312 37.694 38.000 0.010 0.000 1.078 76 I HN 0.407 nan 8.210 nan 0.000 0.421 77 E N 0.794 121.006 120.200 0.020 0.000 2.031 77 E HA -0.248 4.101 4.350 -0.000 0.000 0.193 77 E C 2.085 178.699 176.600 0.023 0.000 0.994 77 E CA 1.158 57.571 56.400 0.020 0.000 0.800 77 E CB -0.000 29.713 29.700 0.023 0.000 0.752 77 E HN 0.177 nan 8.360 nan 0.000 0.447 78 K N 0.541 120.960 120.400 0.032 0.000 2.152 78 K HA -0.110 4.210 4.320 -0.000 0.000 0.206 78 K C 1.738 178.356 176.600 0.030 0.000 1.048 78 K CA 1.139 57.449 56.287 0.039 0.000 0.933 78 K CB -0.220 32.317 32.500 0.062 0.000 0.721 78 K HN 0.131 nan 8.250 nan 0.000 0.447 79 A N -0.420 122.414 122.820 0.022 0.000 2.066 79 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 79 A C 1.524 179.112 177.584 0.007 0.000 1.157 79 A CA 1.145 53.188 52.037 0.010 0.000 0.670 79 A CB -0.663 18.340 19.000 0.005 0.000 0.804 79 A HN 0.383 nan 8.150 nan 0.000 0.453 80 G N -0.415 108.390 108.800 0.009 0.000 2.198 80 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 80 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 80 G C 0.176 175.078 174.900 0.003 0.000 1.025 80 G CA 0.582 45.686 45.100 0.007 0.000 0.769 80 G HN 1.415 nan 8.290 nan 0.000 0.507 81 I N -2.977 117.594 120.570 0.003 0.000 2.750 81 I HA 0.811 4.981 4.170 -0.000 0.000 0.308 81 I C -2.096 174.022 176.117 0.001 0.000 1.016 81 I CA -3.273 58.027 61.300 0.000 0.000 1.098 81 I CB 1.440 39.438 38.000 -0.003 0.000 1.279 81 I HN -0.143 nan 8.210 nan 0.000 0.454 82 P HA 0.149 nan 4.420 nan 0.000 0.267 82 P C -0.188 177.112 177.300 0.000 0.000 1.200 82 P CA -0.214 62.886 63.100 0.001 0.000 0.772 82 P CB 0.603 32.303 31.700 -0.000 0.000 0.855 83 K N 1.308 121.708 120.400 0.002 0.000 2.211 83 K HA -0.149 4.170 4.320 -0.000 0.000 0.203 83 K C 1.236 177.836 176.600 -0.001 0.000 1.050 83 K CA 1.347 57.635 56.287 0.001 0.000 0.945 83 K CB -0.019 32.483 32.500 0.003 0.000 0.732 83 K HN 0.458 nan 8.250 nan 0.000 0.451 84 E N 0.761 120.960 120.200 -0.001 0.000 2.418 84 E HA -0.113 4.237 4.350 -0.000 0.000 0.197 84 E C 1.386 177.984 176.600 -0.004 0.000 1.026 84 E CA 0.618 57.018 56.400 -0.001 0.000 0.862 84 E CB 0.082 29.782 29.700 -0.000 0.000 0.799 84 E HN 0.167 nan 8.360 nan 0.000 0.518 85 E N 0.112 120.309 120.200 -0.005 0.000 2.285 85 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 85 E C 0.046 176.639 176.600 -0.012 0.000 0.997 85 E CA 0.189 56.585 56.400 -0.007 0.000 0.845 85 E CB 0.241 29.937 29.700 -0.007 0.000 0.782 85 E HN 0.070 nan 8.360 nan 0.000 0.491 86 V N 3.218 123.124 119.914 -0.013 0.000 2.479 86 V HA -0.029 4.090 4.120 -0.000 0.000 0.281 86 V C 1.350 177.431 176.094 -0.023 0.000 1.031 86 V CA 0.318 62.605 62.300 -0.022 0.000 1.038 86 V CB 0.996 32.808 31.823 -0.019 0.000 0.981 86 V HN 0.010 nan 8.190 nan 0.000 0.478 87 K N 3.298 123.678 120.400 -0.033 0.000 2.242 87 K HA 0.249 4.569 4.320 -0.000 0.000 0.200 87 K C 0.602 177.181 176.600 -0.034 0.000 1.050 87 K CA 0.482 56.753 56.287 -0.027 0.000 0.981 87 K CB 0.687 33.172 32.500 -0.025 0.000 0.795 87 K HN 0.793 nan 8.250 nan 0.000 0.477 88 E N -1.185 118.976 120.200 -0.064 0.000 2.407 88 E HA 0.550 4.900 4.350 -0.000 0.000 0.279 88 E C -2.005 174.519 176.600 -0.125 0.000 1.012 88 E CA -0.626 55.725 56.400 -0.081 0.000 0.800 88 E CB 2.107 31.738 29.700 -0.114 0.000 1.276 88 E HN 0.017 nan 8.360 nan 0.000 0.452 89 A N 2.294 125.071 122.820 -0.071 0.000 2.427 89 A HA 0.657 4.977 4.320 -0.000 0.000 0.298 89 A C -2.024 175.653 177.584 0.155 0.000 1.036 89 A CA -0.523 51.496 52.037 -0.029 0.000 0.701 89 A CB 0.847 19.857 19.000 0.018 0.000 1.250 89 A HN 0.414 nan 8.150 nan 0.000 0.412 90 Y N 1.998 122.295 120.300 -0.005 0.000 2.364 90 Y HA 0.703 5.253 4.550 -0.000 0.000 0.340 90 Y C -0.037 175.857 175.900 -0.010 0.000 0.975 90 Y CA -1.924 56.170 58.100 -0.009 0.000 1.089 90 Y CB 1.914 40.363 38.460 -0.017 0.000 1.192 90 Y HN 0.524 nan 8.280 nan 0.000 0.454 91 M N 2.379 122.063 119.600 0.140 0.000 2.327 91 M HA 0.416 4.895 4.480 -0.000 0.000 0.298 91 M C 0.345 176.666 176.300 0.034 0.000 1.065 91 M CA -0.804 54.539 55.300 0.073 0.000 0.916 91 M CB 1.954 34.586 32.600 0.052 0.000 1.630 91 M HN 0.774 nan 8.290 nan 0.000 0.442 92 G N 2.119 110.934 108.800 0.025 0.000 2.483 92 G HA2 0.356 4.315 3.960 -0.000 0.000 0.248 92 G HA3 0.356 4.315 3.960 -0.000 0.000 0.248 92 G C -0.335 174.564 174.900 -0.002 0.000 1.248 92 G CA -0.243 44.859 45.100 0.003 0.000 0.838 92 G HN 0.876 nan 8.290 nan 0.000 0.566 93 N N 1.453 120.143 118.700 -0.016 0.000 3.127 93 N HA 0.042 4.782 4.740 -0.000 0.000 0.239 93 N C 0.364 175.854 175.510 -0.034 0.000 1.200 93 N CA -0.689 52.349 53.050 -0.020 0.000 0.924 93 N CB 1.320 39.800 38.487 -0.012 0.000 1.583 93 N HN 0.145 nan 8.380 nan 0.000 0.645 94 V N 2.975 122.861 119.914 -0.047 0.000 2.446 94 V HA 0.082 4.202 4.120 -0.000 0.000 0.244 94 V C 0.849 176.908 176.094 -0.057 0.000 1.039 94 V CA 0.945 63.210 62.300 -0.059 0.000 1.045 94 V CB -0.092 31.680 31.823 -0.084 0.000 0.681 94 V HN 0.586 nan 8.190 nan 0.000 0.459 95 L N 0.833 122.023 121.223 -0.055 0.000 2.426 95 L HA 0.357 4.696 4.340 -0.000 0.000 0.255 95 L C 0.784 177.632 176.870 -0.037 0.000 1.080 95 L CA 0.089 54.898 54.840 -0.052 0.000 0.960 95 L CB 0.862 42.884 42.059 -0.061 0.000 1.326 95 L HN 0.203 nan 8.230 nan 0.000 0.441 96 Q N 1.181 120.961 119.800 -0.032 0.000 2.392 96 Q HA 0.125 4.465 4.340 -0.000 0.000 0.203 96 Q C 1.283 177.272 176.000 -0.019 0.000 0.917 96 Q CA -0.121 55.669 55.803 -0.023 0.000 0.939 96 Q CB 0.651 29.376 28.738 -0.021 0.000 1.063 96 Q HN 0.729 nan 8.270 nan 0.000 0.516 97 G N 0.108 108.894 108.800 -0.023 0.000 2.299 97 G HA2 0.297 4.257 3.960 -0.000 0.000 0.256 97 G HA3 0.297 4.257 3.960 -0.000 0.000 0.256 97 G C 0.854 175.747 174.900 -0.013 0.000 1.259 97 G CA 0.303 45.393 45.100 -0.018 0.000 0.943 97 G HN 0.341 nan 8.290 nan 0.000 0.479 98 G N 2.010 110.806 108.800 -0.006 0.000 2.179 98 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 98 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 98 G C 0.841 175.740 174.900 -0.002 0.000 0.977 98 G CA 0.585 45.684 45.100 -0.001 0.000 0.641 98 G HN 0.691 nan 8.290 nan 0.000 0.533 99 E N 0.304 120.501 120.200 -0.004 0.000 2.482 99 E HA 0.380 4.730 4.350 -0.000 0.000 0.196 99 E C 1.576 178.176 176.600 -0.000 0.000 1.047 99 E CA 0.453 56.852 56.400 -0.003 0.000 0.869 99 E CB 0.070 29.767 29.700 -0.004 0.000 0.836 99 E HN 1.576 nan 8.360 nan 0.000 0.520 100 G N 1.609 110.409 108.800 0.000 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 -0.695 174.205 174.900 0.001 0.000 1.320 100 G CA -0.679 44.422 45.100 0.001 0.000 0.860 100 G HN 0.189 nan 8.290 nan 0.000 0.538 101 Q N 0.123 119.924 119.800 0.002 0.000 2.337 101 Q HA 0.470 4.810 4.340 -0.000 0.000 0.270 101 Q C 1.024 177.026 176.000 0.003 0.000 1.002 101 Q CA 0.834 56.638 55.803 0.002 0.000 0.888 101 Q CB 0.325 29.064 28.738 0.003 0.000 1.222 101 Q HN 2.476 nan 8.270 nan 0.000 0.400 102 A N 4.790 127.611 122.820 0.002 0.000 2.251 102 A HA -0.137 4.183 4.320 -0.000 0.000 0.283 102 A C -1.940 175.648 177.584 0.007 0.000 1.415 102 A CA 0.144 52.184 52.037 0.005 0.000 0.742 102 A CB -1.267 17.738 19.000 0.008 0.000 1.151 102 A HN 0.816 nan 8.150 nan 0.000 0.354 103 P HA -0.204 nan 4.420 nan 0.000 0.216 103 P C 1.814 179.123 177.300 0.014 0.000 1.157 103 P CA 2.215 65.319 63.100 0.007 0.000 0.880 103 P CB -0.052 31.649 31.700 0.002 0.000 0.791 104 T N -0.944 113.621 114.554 0.019 0.000 2.746 104 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 104 T C 1.881 176.600 174.700 0.031 0.000 1.039 104 T CA 1.519 63.638 62.100 0.031 0.000 1.142 104 T CB -0.515 68.382 68.868 0.048 0.000 0.866 104 T HN 0.028 nan 8.240 nan 0.000 0.444 105 R N 1.394 121.910 120.500 0.027 0.000 2.091 105 R HA -0.086 4.254 4.340 -0.000 0.000 0.238 105 R C 2.436 178.747 176.300 0.018 0.000 1.136 105 R CA 1.665 57.778 56.100 0.023 0.000 0.959 105 R CB -0.468 29.844 30.300 0.019 0.000 0.856 105 R HN 0.505 nan 8.270 nan 0.000 0.437 106 Q N -0.776 119.033 119.800 0.015 0.000 2.084 106 Q HA -0.116 4.223 4.340 -0.000 0.000 0.202 106 Q C 2.141 178.149 176.000 0.014 0.000 0.978 106 Q CA 1.668 57.479 55.803 0.012 0.000 0.844 106 Q CB -0.239 28.504 28.738 0.010 0.000 0.898 106 Q HN 0.475 nan 8.270 nan 0.000 0.426 107 A N 0.411 123.240 122.820 0.016 0.000 1.877 107 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 107 A C 2.349 179.944 177.584 0.018 0.000 1.186 107 A CA 1.384 53.432 52.037 0.018 0.000 0.620 107 A CB -0.707 18.305 19.000 0.021 0.000 0.822 107 A HN 0.203 nan 8.150 nan 0.000 0.443 108 V N 0.124 120.049 119.914 0.019 0.000 2.244 108 V HA -0.223 3.897 4.120 -0.000 0.000 0.244 108 V C 2.578 178.680 176.094 0.014 0.000 1.042 108 V CA 1.936 64.247 62.300 0.017 0.000 1.006 108 V CB -0.746 31.089 31.823 0.020 0.000 0.641 108 V HN 0.569 nan 8.190 nan 0.000 0.446 109 L N 0.429 121.660 121.223 0.013 0.000 2.083 109 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 109 L C 2.574 179.450 176.870 0.010 0.000 1.083 109 L CA 1.632 56.479 54.840 0.011 0.000 0.752 109 L CB -1.139 40.926 42.059 0.010 0.000 0.899 109 L HN 0.502 nan 8.230 nan 0.000 0.433 110 G N -0.419 108.388 108.800 0.011 0.000 2.470 110 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 110 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 110 G C 1.515 176.422 174.900 0.011 0.000 1.121 110 G CA 0.683 45.789 45.100 0.010 0.000 0.766 110 G HN 0.469 nan 8.290 nan 0.000 0.553 111 A N -0.395 122.433 122.820 0.012 0.000 2.251 111 A HA 0.493 4.813 4.320 -0.000 0.000 0.209 111 A C 1.901 179.492 177.584 0.011 0.000 1.187 111 A CA 1.141 53.186 52.037 0.013 0.000 0.823 111 A CB -0.352 18.656 19.000 0.014 0.000 0.846 111 A HN 1.503 nan 8.150 nan 0.000 0.486 112 G N -1.259 107.546 108.800 0.010 0.000 2.137 112 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.237 112 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.237 112 G C -0.128 174.776 174.900 0.007 0.000 1.002 112 G CA 0.281 45.385 45.100 0.008 0.000 0.702 112 G HN 0.326 nan 8.290 nan 0.000 0.515 113 L N 0.678 121.906 121.223 0.008 0.000 2.439 113 L HA 0.566 4.906 4.340 -0.000 0.000 0.261 113 L C -1.496 175.377 176.870 0.006 0.000 1.153 113 L CA -1.890 52.954 54.840 0.006 0.000 0.808 113 L CB 0.148 42.211 42.059 0.006 0.000 1.126 113 L HN -0.086 nan 8.230 nan 0.000 0.460 114 P HA 0.060 nan 4.420 nan 0.000 0.269 114 P C 0.947 178.250 177.300 0.006 0.000 1.209 114 P CA -0.338 62.765 63.100 0.004 0.000 0.776 114 P CB 0.318 32.020 31.700 0.003 0.000 0.876 115 I N 0.478 121.052 120.570 0.006 0.000 3.010 115 I HA -0.145 4.024 4.170 -0.000 0.000 0.271 115 I C 0.948 177.070 176.117 0.007 0.000 1.293 115 I CA 1.722 63.026 61.300 0.007 0.000 1.452 115 I CB -1.962 36.042 38.000 0.006 0.000 1.082 115 I HN 0.215 nan 8.210 nan 0.000 0.484 116 S N 0.043 115.746 115.700 0.006 0.000 2.603 116 S HA 0.064 4.534 4.470 -0.000 0.000 0.220 116 S C 0.824 175.428 174.600 0.007 0.000 0.967 116 S CA -0.286 57.918 58.200 0.006 0.000 0.920 116 S CB -1.019 62.184 63.200 0.004 0.000 0.773 116 S HN 0.493 nan 8.310 nan 0.000 0.529 117 T N 5.190 119.749 114.554 0.008 0.000 2.738 117 T HA 0.379 4.729 4.350 -0.000 0.000 0.294 117 T C -2.613 172.098 174.700 0.018 0.000 0.914 117 T CA -1.096 61.009 62.100 0.009 0.000 1.052 117 T CB 0.715 69.587 68.868 0.006 0.000 0.897 117 T HN 0.219 nan 8.240 nan 0.000 0.522 118 P HA 0.337 nan 4.420 nan 0.000 0.271 118 P C -0.781 176.559 177.300 0.066 0.000 1.218 118 P CA -0.499 62.627 63.100 0.043 0.000 0.780 118 P CB 0.454 32.184 31.700 0.050 0.000 0.901 119 C N 1.356 120.705 119.300 0.081 0.000 2.609 119 C HA 0.654 5.114 4.460 -0.000 0.000 0.313 119 C C -0.397 174.658 174.990 0.108 0.000 1.175 119 C CA -0.160 58.920 59.018 0.104 0.000 1.434 119 C CB 1.679 29.457 27.740 0.064 0.000 2.005 119 C HN 0.498 nan 8.230 nan 0.000 0.471 120 T N 1.893 116.535 114.554 0.147 0.000 2.916 120 T HA 0.527 4.877 4.350 -0.000 0.000 0.298 120 T C -0.484 174.215 174.700 -0.002 0.000 1.031 120 T CA -0.297 61.817 62.100 0.025 0.000 0.993 120 T CB 1.757 70.554 68.868 -0.117 0.000 1.045 120 T HN 0.633 nan 8.240 nan 0.000 0.454 121 T N 3.977 118.511 114.554 -0.032 0.000 2.795 121 T HA 0.548 4.898 4.350 -0.000 0.000 0.282 121 T C -0.164 174.495 174.700 -0.067 0.000 0.980 121 T CA -0.674 61.409 62.100 -0.029 0.000 1.012 121 T CB 0.381 69.240 68.868 -0.015 0.000 0.936 121 T HN 0.317 nan 8.240 nan 0.000 0.457 122 I N 3.732 124.264 120.570 -0.064 0.000 2.441 122 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 122 I C 0.046 176.132 176.117 -0.053 0.000 0.994 122 I CA -0.927 60.323 61.300 -0.083 0.000 1.144 122 I CB 1.596 39.541 38.000 -0.091 0.000 1.314 122 I HN 0.547 nan 8.210 nan 0.000 0.445 123 N N 5.344 124.012 118.700 -0.053 0.000 2.576 123 N HA 0.212 4.952 4.740 -0.000 0.000 0.269 123 N C -0.607 174.882 175.510 -0.036 0.000 1.058 123 N CA -0.253 52.772 53.050 -0.042 0.000 0.860 123 N CB 1.173 39.636 38.487 -0.041 0.000 1.249 123 N HN 0.585 nan 8.380 nan 0.000 0.525 124 K N 3.878 124.260 120.400 -0.031 0.000 3.045 124 K HA 0.251 4.571 4.320 -0.000 0.000 0.211 124 K C -0.450 176.134 176.600 -0.027 0.000 1.141 124 K CA -0.424 55.850 56.287 -0.021 0.000 1.036 124 K CB -0.036 32.457 32.500 -0.010 0.000 0.851 124 K HN 0.365 nan 8.250 nan 0.000 0.462 128 S N 0.565 116.267 115.700 0.004 0.000 2.372 128 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 128 S C 2.064 176.666 174.600 0.004 0.000 1.044 128 S CA 2.221 60.417 58.200 -0.006 0.000 1.050 128 S CB -0.574 62.617 63.200 -0.016 0.000 0.901 128 S HN 1.111 nan 8.310 nan 0.000 0.447 129 G N 0.804 109.614 108.800 0.018 0.000 2.442 129 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 129 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 129 G C 1.373 176.283 174.900 0.018 0.000 1.141 129 G CA 1.033 46.148 45.100 0.025 0.000 0.763 129 G HN 0.460 nan 8.290 nan 0.000 0.554 130 M N -0.478 119.130 119.600 0.014 0.000 2.160 130 M HA 0.156 4.636 4.480 -0.000 0.000 0.264 130 M C 2.484 178.759 176.300 -0.042 0.000 1.073 130 M CA 1.470 56.768 55.300 -0.004 0.000 1.142 130 M CB 0.052 32.662 32.600 0.016 0.000 1.358 130 M HN 0.132 nan 8.290 nan 0.000 0.422 131 K N 1.006 121.388 120.400 -0.030 0.000 2.152 131 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 131 K C 1.670 178.239 176.600 -0.052 0.000 1.048 131 K CA 1.792 58.047 56.287 -0.052 0.000 0.933 131 K CB -0.670 31.813 32.500 -0.029 0.000 0.721 131 K HN 0.440 nan 8.250 nan 0.000 0.447 132 A N 0.634 123.447 122.820 -0.012 0.000 1.883 132 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 132 A C 2.256 179.884 177.584 0.074 0.000 1.186 132 A CA 1.882 53.956 52.037 0.062 0.000 0.624 132 A CB -0.695 18.352 19.000 0.078 0.000 0.822 132 A HN 0.336 nan 8.150 nan 0.000 0.444 133 I N -0.845 119.714 120.570 -0.019 0.000 2.226 133 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 133 I C 2.735 178.725 176.117 -0.212 0.000 1.100 133 I CA 1.715 62.968 61.300 -0.078 0.000 1.374 133 I CB -0.383 37.573 38.000 -0.074 0.000 1.057 133 I HN 0.339 nan 8.210 nan 0.000 0.413 134 M N -0.350 119.029 119.600 -0.369 0.000 2.080 134 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 134 M C 2.422 178.440 176.300 -0.470 0.000 1.068 134 M CA 2.059 56.845 55.300 -0.857 0.000 1.109 134 M CB -0.385 31.746 32.600 -0.783 0.000 1.342 134 M HN 0.195 nan 8.290 nan 0.000 0.405 135 M N -0.432 119.092 119.600 -0.126 0.000 2.175 135 M HA -0.088 4.391 4.480 -0.000 0.000 0.264 135 M C 2.473 178.923 176.300 0.249 0.000 1.063 135 M CA 1.491 56.846 55.300 0.092 0.000 1.119 135 M CB -0.516 32.135 32.600 0.085 0.000 1.377 135 M HN 0.371 nan 8.290 nan 0.000 0.415 136 A N -0.119 122.818 122.820 0.195 0.000 1.902 136 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 136 A C 2.281 179.838 177.584 -0.045 0.000 1.181 136 A CA 2.147 54.138 52.037 -0.078 0.000 0.623 136 A CB -0.872 18.007 19.000 -0.201 0.000 0.818 136 A HN 0.433 nan 8.150 nan 0.000 0.443 137 S N -0.242 115.429 115.700 -0.050 0.000 2.383 137 S HA -0.249 4.221 4.470 -0.000 0.000 0.229 137 S C 2.082 176.748 174.600 0.111 0.000 1.030 137 S CA 1.745 59.959 58.200 0.024 0.000 1.002 137 S CB -0.353 62.865 63.200 0.030 0.000 0.829 137 S HN 0.717 nan 8.310 nan 0.000 0.467 138 Q N 0.417 120.298 119.800 0.134 0.000 2.119 138 Q HA -0.060 4.279 4.340 -0.000 0.000 0.201 138 Q C 2.479 178.525 176.000 0.076 0.000 0.972 138 Q CA 1.388 57.289 55.803 0.163 0.000 0.847 138 Q CB -0.283 28.570 28.738 0.191 0.000 0.903 138 Q HN 0.499 nan 8.270 nan 0.000 0.433 139 S N 0.318 116.068 115.700 0.082 0.000 2.356 139 S HA -0.146 4.323 4.470 -0.000 0.000 0.223 139 S C 1.845 176.434 174.600 -0.017 0.000 1.032 139 S CA 0.866 59.106 58.200 0.066 0.000 1.005 139 S CB -0.082 63.169 63.200 0.086 0.000 0.867 139 S HN 0.191 nan 8.310 nan 0.000 0.449 140 L N 1.347 122.561 121.223 -0.015 0.000 2.042 140 L HA -0.003 4.336 4.340 -0.000 0.000 0.210 140 L C 2.619 179.469 176.870 -0.034 0.000 1.076 140 L CA 1.848 56.675 54.840 -0.023 0.000 0.749 140 L CB -0.758 41.291 42.059 -0.016 0.000 0.893 140 L HN 0.398 nan 8.230 nan 0.000 0.432 141 M N -2.102 117.488 119.600 -0.016 0.000 2.108 141 M HA -0.282 4.197 4.480 -0.000 0.000 0.261 141 M C 2.289 178.535 176.300 -0.089 0.000 1.066 141 M CA 1.547 56.833 55.300 -0.024 0.000 1.107 141 M CB -0.629 31.983 32.600 0.021 0.000 1.356 141 M HN 0.296 nan 8.290 nan 0.000 0.406 142 C N 0.307 119.496 119.300 -0.185 0.000 2.466 142 C HA 0.092 4.551 4.460 -0.000 0.000 0.283 142 C C 1.768 176.535 174.990 -0.373 0.000 1.472 142 C CA 0.685 59.470 59.018 -0.388 0.000 1.765 142 C CB -1.739 25.485 27.740 -0.861 0.000 1.724 142 C HN 0.880 nan 8.230 nan 0.000 0.560 143 G N -0.191 108.494 108.800 -0.191 0.000 2.160 143 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.251 143 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.251 143 G C 0.299 175.220 174.900 0.036 0.000 1.008 143 G CA 0.759 45.822 45.100 -0.062 0.000 0.724 143 G HN 0.756 nan 8.290 nan 0.000 0.514 144 H N -0.874 118.203 119.070 0.011 0.000 2.512 144 H HA 0.163 4.719 4.556 -0.000 0.000 0.279 144 H C 1.233 176.559 175.328 -0.002 0.000 0.999 144 H CA 1.029 57.083 56.048 0.010 0.000 1.283 144 H CB 0.301 30.076 29.762 0.022 0.000 1.421 144 H HN 0.389 nan 8.280 nan 0.000 0.554 145 Q N 0.193 120.050 119.800 0.096 0.000 2.456 145 Q HA 0.057 4.397 4.340 -0.000 0.000 0.284 145 Q C -0.358 175.645 176.000 0.004 0.000 1.061 145 Q CA -0.314 55.507 55.803 0.030 0.000 0.799 145 Q CB 2.123 30.856 28.738 -0.010 0.000 1.445 145 Q HN 0.346 nan 8.270 nan 0.000 0.411 146 D N -1.264 119.132 120.400 -0.006 0.000 2.423 146 D HA 0.114 4.754 4.640 -0.000 0.000 0.212 146 D C 0.193 176.480 176.300 -0.022 0.000 1.060 146 D CA 0.309 54.302 54.000 -0.011 0.000 0.872 146 D CB 0.870 41.667 40.800 -0.006 0.000 1.012 146 D HN 0.137 nan 8.370 nan 0.000 0.503 147 V N 0.971 120.867 119.914 -0.030 0.000 2.623 147 V HA 0.497 4.616 4.120 -0.000 0.000 0.304 147 V C -0.563 175.495 176.094 -0.060 0.000 1.054 147 V CA -0.581 61.696 62.300 -0.038 0.000 0.882 147 V CB 1.920 33.727 31.823 -0.027 0.000 1.002 147 V HN 0.060 nan 8.190 nan 0.000 0.424 148 M N 3.560 123.113 119.600 -0.078 0.000 2.550 148 M HA 0.669 5.149 4.480 -0.000 0.000 0.292 148 M C -1.292 174.953 176.300 -0.090 0.000 1.221 148 M CA -0.869 54.361 55.300 -0.117 0.000 0.873 148 M CB 2.812 35.288 32.600 -0.206 0.000 1.727 148 M HN 0.376 nan 8.290 nan 0.000 0.459 149 V N 1.543 121.406 119.914 -0.085 0.000 2.472 149 V HA 0.889 5.009 4.120 -0.000 0.000 0.290 149 V C -0.370 175.692 176.094 -0.052 0.000 1.037 149 V CA -0.533 61.737 62.300 -0.049 0.000 0.908 149 V CB 1.415 33.226 31.823 -0.020 0.000 0.985 149 V HN 0.918 nan 8.190 nan 0.000 0.454 150 A N 2.997 125.804 122.820 -0.022 0.000 2.486 150 A HA 1.015 5.335 4.320 -0.000 0.000 0.300 150 A C -0.030 177.570 177.584 0.027 0.000 1.048 150 A CA 0.167 52.212 52.037 0.012 0.000 0.696 150 A CB 2.046 21.043 19.000 -0.005 0.000 1.278 150 A HN 1.360 nan 8.150 nan 0.000 0.405 151 G N -0.325 108.502 108.800 0.046 0.000 2.474 151 G HA2 0.759 4.719 3.960 -0.000 0.000 0.234 151 G HA3 0.759 4.719 3.960 -0.000 0.000 0.234 151 G C -0.286 174.639 174.900 0.041 0.000 1.204 151 G CA 0.387 45.511 45.100 0.040 0.000 0.939 151 G HN 1.958 nan 8.290 nan 0.000 0.491 152 G N -0.643 108.180 108.800 0.038 0.000 2.698 152 G HA2 0.746 4.706 3.960 -0.000 0.000 0.293 152 G HA3 0.746 4.706 3.960 -0.000 0.000 0.293 152 G C -0.804 174.114 174.900 0.029 0.000 1.437 152 G CA 0.009 45.128 45.100 0.031 0.000 0.852 152 G HN 1.510 nan 8.290 nan 0.000 0.499 153 M N -0.288 119.323 119.600 0.019 0.000 2.471 153 M HA 0.897 5.377 4.480 -0.000 0.000 0.284 153 M C -1.910 174.393 176.300 0.005 0.000 1.203 153 M CA -0.930 54.379 55.300 0.016 0.000 0.915 153 M CB 2.737 35.347 32.600 0.017 0.000 1.734 153 M HN 0.481 nan 8.290 nan 0.000 0.485 154 E N 0.789 120.992 120.200 0.005 0.000 2.354 154 E HA 0.483 4.833 4.350 -0.000 0.000 0.283 154 E C -1.952 174.653 176.600 0.008 0.000 0.938 154 E CA -0.159 56.238 56.400 -0.005 0.000 0.777 154 E CB 2.532 32.216 29.700 -0.026 0.000 1.222 154 E HN 0.713 nan 8.360 nan 0.000 0.423 155 S N 4.917 120.624 115.700 0.010 0.000 2.406 155 S HA 0.282 4.752 4.470 -0.000 0.000 0.224 155 S C 0.698 175.325 174.600 0.045 0.000 1.426 155 S CA -0.362 57.854 58.200 0.025 0.000 1.179 155 S CB 0.075 63.283 63.200 0.014 0.000 1.042 155 S HN 0.700 nan 8.310 nan 0.000 0.479 156 M N 1.825 121.473 119.600 0.081 0.000 2.296 156 M HA -0.055 4.425 4.480 -0.000 0.000 0.265 156 M C 2.176 178.655 176.300 0.299 0.000 1.064 156 M CA 1.090 56.472 55.300 0.137 0.000 1.109 156 M CB -0.365 32.292 32.600 0.094 0.000 1.396 156 M HN 0.537 nan 8.290 nan 0.000 0.430 157 S N 0.832 116.661 115.700 0.216 0.000 2.400 157 S HA -0.081 4.388 4.470 -0.000 0.000 0.232 157 S C 1.400 175.987 174.600 -0.021 0.000 1.025 157 S CA 1.085 59.275 58.200 -0.018 0.000 0.993 157 S CB -0.322 62.803 63.200 -0.125 0.000 0.808 157 S HN 0.501 nan 8.310 nan 0.000 0.478 158 N N 1.028 119.734 118.700 0.011 0.000 2.270 158 N HA 0.142 4.881 4.740 -0.000 0.000 0.198 158 N C -0.465 175.040 175.510 -0.008 0.000 1.117 158 N CA 0.081 53.128 53.050 -0.006 0.000 0.845 158 N CB 0.455 38.938 38.487 -0.008 0.000 0.980 158 N HN 0.159 nan 8.380 nan 0.000 0.486 159 V N 4.413 124.326 119.914 -0.003 0.000 2.521 159 V HA 0.105 4.225 4.120 -0.000 0.000 0.286 159 V C -1.479 174.542 176.094 -0.121 0.000 1.034 159 V CA -0.794 61.477 62.300 -0.047 0.000 1.045 159 V CB 0.773 32.567 31.823 -0.048 0.000 0.974 159 V HN 0.127 nan 8.190 nan 0.000 0.480 160 P HA 0.344 nan 4.420 nan 0.000 0.282 160 P C -1.247 175.907 177.300 -0.244 0.000 1.287 160 P CA -0.534 62.497 63.100 -0.115 0.000 0.792 160 P CB 0.784 32.481 31.700 -0.005 0.000 1.163 161 Y N -1.177 119.137 120.300 0.024 0.000 2.376 161 Y HA 0.414 4.964 4.550 -0.000 0.000 0.325 161 Y C 0.776 176.682 175.900 0.011 0.000 1.199 161 Y CA -0.554 57.558 58.100 0.020 0.000 1.206 161 Y CB 1.225 39.698 38.460 0.021 0.000 1.229 161 Y HN 0.109 nan 8.280 nan 0.000 0.480 162 V N 0.660 120.668 119.914 0.156 0.000 2.715 162 V HA 0.654 4.774 4.120 -0.000 0.000 0.310 162 V C -0.615 175.525 176.094 0.077 0.000 1.054 162 V CA -1.168 61.184 62.300 0.088 0.000 0.928 162 V CB 1.917 33.767 31.823 0.045 0.000 1.007 162 V HN 0.865 nan 8.190 nan 0.000 0.437 163 M N 3.402 123.033 119.600 0.051 0.000 2.253 163 M HA 0.565 5.045 4.480 -0.000 0.000 0.314 163 M C -0.666 175.648 176.300 0.024 0.000 1.019 163 M CA -0.496 54.825 55.300 0.034 0.000 0.932 163 M CB 1.529 34.145 32.600 0.027 0.000 1.606 163 M HN 0.881 nan 8.290 nan 0.000 0.430 164 N N 3.548 122.260 118.700 0.020 0.000 2.345 164 N HA 0.003 4.743 4.740 -0.000 0.000 0.243 164 N C -0.465 175.053 175.510 0.013 0.000 1.246 164 N CA 0.319 53.378 53.050 0.015 0.000 0.863 164 N CB 0.403 38.898 38.487 0.013 0.000 1.096 164 N HN 0.632 nan 8.380 nan 0.000 0.446 165 R N 0.618 121.125 120.500 0.011 0.000 2.590 165 R HA 0.385 4.725 4.340 -0.000 0.000 0.274 165 R C 0.768 177.074 176.300 0.010 0.000 1.061 165 R CA 0.724 56.830 56.100 0.010 0.000 1.081 165 R CB -0.060 30.245 30.300 0.008 0.000 0.984 165 R HN 0.768 nan 8.270 nan 0.000 0.448 166 G N 1.094 109.900 108.800 0.010 0.000 2.337 166 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.197 166 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.197 166 G C -1.226 173.682 174.900 0.013 0.000 1.238 166 G CA -0.263 44.844 45.100 0.011 0.000 1.119 166 G HN 0.635 nan 8.290 nan 0.000 0.514 167 S N 0.158 115.867 115.700 0.015 0.000 2.442 167 S HA 0.653 5.123 4.470 -0.000 0.000 0.297 167 S C 0.462 175.075 174.600 0.022 0.000 1.131 167 S CA 0.445 58.657 58.200 0.019 0.000 1.092 167 S CB 0.671 63.883 63.200 0.021 0.000 0.998 167 S HN 1.015 nan 8.310 nan 0.000 0.478 168 T N 7.095 121.661 114.554 0.021 0.000 2.853 168 T HA 0.270 4.620 4.350 -0.000 0.000 0.298 168 T C -2.156 172.563 174.700 0.031 0.000 0.978 168 T CA -0.732 61.378 62.100 0.018 0.000 1.152 168 T CB 0.165 69.037 68.868 0.007 0.000 0.914 168 T HN 0.516 nan 8.240 nan 0.000 0.539 169 P HA 0.125 nan 4.420 nan 0.000 0.275 169 P C -0.460 176.884 177.300 0.073 0.000 1.228 169 P CA -0.712 62.423 63.100 0.059 0.000 0.786 169 P CB 0.373 32.101 31.700 0.048 0.000 0.927 170 Y N 1.590 121.891 120.300 0.001 0.000 2.811 170 Y HA 0.205 4.755 4.550 -0.000 0.000 0.334 170 Y C 1.652 177.552 175.900 0.001 0.000 1.247 170 Y CA 2.193 60.294 58.100 0.001 0.000 1.526 170 Y CB -0.202 38.259 38.460 0.001 0.000 1.284 170 Y HN 0.861 nan 8.280 nan 0.000 0.586 171 G N 2.024 110.410 108.800 -0.689 0.000 2.232 171 G HA2 0.136 4.096 3.960 -0.000 0.000 0.226 171 G HA3 0.136 4.096 3.960 -0.000 0.000 0.226 171 G C 0.651 175.413 174.900 -0.230 0.000 0.996 171 G CA 0.209 45.020 45.100 -0.482 0.000 0.626 171 G HN 2.184 nan 8.290 nan 0.000 0.509 172 G N -2.270 106.434 108.800 -0.159 0.000 2.422 172 G HA2 0.447 4.407 3.960 -0.000 0.000 0.607 172 G HA3 0.447 4.407 3.960 -0.000 0.000 0.607 172 G C -0.661 174.209 174.900 -0.051 0.000 1.270 172 G CA 0.547 45.589 45.100 -0.096 0.000 0.992 172 G HN 1.852 nan 8.290 nan 0.000 0.499 173 V N -0.277 119.614 119.914 -0.038 0.000 3.147 173 V HA 0.736 4.856 4.120 -0.000 0.000 0.299 173 V C -0.599 175.483 176.094 -0.020 0.000 1.302 173 V CA -0.529 61.759 62.300 -0.020 0.000 1.015 173 V CB 2.023 33.841 31.823 -0.009 0.000 1.086 173 V HN 1.081 nan 8.190 nan 0.000 0.437 174 K N 5.132 125.528 120.400 -0.008 0.000 2.248 174 K HA 0.539 4.859 4.320 -0.000 0.000 0.281 174 K C -0.807 175.801 176.600 0.013 0.000 1.054 174 K CA -0.575 55.709 56.287 -0.004 0.000 0.903 174 K CB 0.810 33.315 32.500 0.008 0.000 1.077 174 K HN 0.660 nan 8.250 nan 0.000 0.474 175 L N 4.633 125.860 121.223 0.007 0.000 2.418 175 L HA 0.130 4.470 4.340 -0.000 0.000 0.274 175 L C 0.489 177.430 176.870 0.119 0.000 1.135 175 L CA 0.069 54.938 54.840 0.048 0.000 0.870 175 L CB 0.434 42.510 42.059 0.028 0.000 1.154 175 L HN 0.616 nan 8.230 nan 0.000 0.462 176 E N 2.012 122.288 120.200 0.126 0.000 2.383 176 E HA 0.031 4.381 4.350 -0.000 0.000 0.264 176 E C -0.532 176.194 176.600 0.210 0.000 1.050 176 E CA -0.435 56.050 56.400 0.141 0.000 0.896 176 E CB 1.074 30.818 29.700 0.072 0.000 0.982 176 E HN 0.392 nan 8.360 nan 0.000 0.424 177 D N 2.802 123.307 120.400 0.175 0.000 2.316 177 D HA 0.048 4.688 4.640 -0.000 0.000 0.245 177 D C 0.864 177.125 176.300 -0.064 0.000 1.171 177 D CA -0.028 53.975 54.000 0.005 0.000 0.856 177 D CB 0.956 41.784 40.800 0.045 0.000 1.090 177 D HN 0.428 nan 8.370 nan 0.000 0.476 178 L N 4.091 125.239 121.223 -0.126 0.000 2.131 178 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 178 L C 2.293 179.105 176.870 -0.097 0.000 1.092 178 L CA 0.606 55.392 54.840 -0.090 0.000 0.759 178 L CB -0.148 41.858 42.059 -0.087 0.000 0.903 178 L HN 0.565 nan 8.230 nan 0.000 0.435 179 I N -0.874 119.625 120.570 -0.118 0.000 2.163 179 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 179 I C 2.413 178.470 176.117 -0.099 0.000 1.085 179 I CA 1.299 62.531 61.300 -0.113 0.000 1.347 179 I CB -0.315 37.606 38.000 -0.132 0.000 1.044 179 I HN 0.034 nan 8.210 nan 0.000 0.408 180 V N 0.699 120.576 119.914 -0.063 0.000 2.323 180 V HA -0.260 3.860 4.120 -0.000 0.000 0.244 180 V C 2.472 178.530 176.094 -0.059 0.000 1.041 180 V CA 1.893 64.172 62.300 -0.034 0.000 1.025 180 V CB -0.617 31.228 31.823 0.037 0.000 0.656 180 V HN 0.391 nan 8.190 nan 0.000 0.451 181 K N -0.220 120.151 120.400 -0.048 0.000 2.007 181 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 181 K C 1.712 178.267 176.600 -0.077 0.000 1.047 181 K CA 1.796 58.053 56.287 -0.049 0.000 0.937 181 K CB -0.067 32.416 32.500 -0.028 0.000 0.718 181 K HN 0.399 nan 8.250 nan 0.000 0.438 182 D N -1.076 119.275 120.400 -0.080 0.000 2.277 182 D HA 0.026 4.666 4.640 -0.000 0.000 0.209 182 D C 1.652 177.886 176.300 -0.111 0.000 0.970 182 D CA 0.900 54.847 54.000 -0.088 0.000 0.874 182 D CB 0.188 40.945 40.800 -0.073 0.000 0.982 182 D HN 0.413 nan 8.370 nan 0.000 0.504 183 G N 0.082 108.807 108.800 -0.125 0.000 2.437 183 G HA2 0.024 3.984 3.960 -0.000 0.000 0.212 183 G HA3 0.024 3.984 3.960 -0.000 0.000 0.212 183 G C 1.356 176.136 174.900 -0.199 0.000 1.174 183 G CA 0.093 45.101 45.100 -0.153 0.000 0.811 183 G HN 0.218 nan 8.290 nan 0.000 0.537 184 L N 0.554 121.640 121.223 -0.230 0.000 2.966 184 L HA 0.263 4.603 4.340 -0.000 0.000 0.262 184 L C 0.001 176.610 176.870 -0.436 0.000 1.165 184 L CA 0.036 54.643 54.840 -0.387 0.000 0.978 184 L CB 1.003 42.766 42.059 -0.495 0.000 1.337 184 L HN -0.051 nan 8.230 nan 0.000 0.563 185 T N 0.017 114.423 114.554 -0.245 0.000 2.767 185 T HA 0.157 4.507 4.350 -0.000 0.000 0.284 185 T C -0.464 174.156 174.700 -0.134 0.000 0.973 185 T CA -0.339 61.663 62.100 -0.164 0.000 0.996 185 T CB 1.842 70.653 68.868 -0.095 0.000 0.927 185 T HN -0.030 nan 8.240 nan 0.000 0.456 186 D N 2.500 122.851 120.400 -0.081 0.000 2.417 186 D HA 0.091 4.731 4.640 -0.000 0.000 0.250 186 D C 1.241 177.457 176.300 -0.141 0.000 1.166 186 D CA -0.121 53.851 54.000 -0.046 0.000 0.881 186 D CB 0.829 41.676 40.800 0.078 0.000 1.164 186 D HN 0.170 nan 8.370 nan 0.000 0.467 187 V N 4.075 123.777 119.914 -0.354 0.000 2.343 187 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 187 V C 1.270 177.048 176.094 -0.527 0.000 1.051 187 V CA 1.638 63.592 62.300 -0.576 0.000 1.036 187 V CB -0.890 30.378 31.823 -0.926 0.000 0.654 187 V HN 0.680 nan 8.190 nan 0.000 0.451 188 Y N -0.344 119.963 120.300 0.012 0.000 2.347 188 Y HA 0.113 4.663 4.550 -0.000 0.000 0.294 188 Y C 2.340 178.251 175.900 0.017 0.000 1.117 188 Y CA 0.654 58.763 58.100 0.014 0.000 1.184 188 Y CB -0.435 38.035 38.460 0.016 0.000 1.047 188 Y HN 0.220 nan 8.280 nan 0.000 0.546 189 N N 0.485 119.271 118.700 0.144 0.000 2.392 189 N HA -0.033 4.707 4.740 -0.000 0.000 0.177 189 N C 0.019 175.558 175.510 0.049 0.000 1.066 189 N CA 0.429 53.535 53.050 0.094 0.000 0.895 189 N CB 0.115 38.662 38.487 0.099 0.000 0.988 189 N HN 0.233 nan 8.380 nan 0.000 0.457 190 K N 0.781 121.190 120.400 0.015 0.000 3.071 190 K HA -0.164 4.156 4.320 -0.000 0.000 0.265 190 K C -0.302 176.316 176.600 0.030 0.000 1.060 190 K CA 0.544 56.833 56.287 0.003 0.000 0.767 190 K CB -1.814 30.689 32.500 0.006 0.000 1.241 190 K HN 0.460 nan 8.250 nan 0.000 0.486 191 I N -4.414 116.181 120.570 0.041 0.000 3.145 191 I HA 0.448 4.617 4.170 -0.000 0.000 0.313 191 I C 0.592 176.757 176.117 0.081 0.000 1.122 191 I CA -1.319 60.026 61.300 0.075 0.000 0.987 191 I CB 1.600 39.645 38.000 0.076 0.000 1.236 191 I HN -0.063 nan 8.210 nan 0.000 0.453 192 H N 3.218 122.301 119.070 0.023 0.000 2.771 192 H HA 0.191 4.747 4.556 -0.000 0.000 0.364 192 H C 0.755 176.040 175.328 -0.071 0.000 1.133 192 H CA 0.050 56.089 56.048 -0.015 0.000 1.423 192 H CB 1.388 31.163 29.762 0.021 0.000 1.425 192 H HN 0.686 nan 8.280 nan 0.000 0.606 193 M N 3.028 122.573 119.600 -0.091 0.000 2.108 193 M HA -0.151 4.329 4.480 -0.000 0.000 0.257 193 M C 2.352 178.663 176.300 0.019 0.000 1.071 193 M CA 1.665 57.061 55.300 0.160 0.000 1.093 193 M CB -1.620 31.064 32.600 0.141 0.000 1.345 193 M HN 0.799 nan 8.290 nan 0.000 0.403 194 G N -0.477 108.159 108.800 -0.274 0.000 2.440 194 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 194 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 194 G C 1.715 176.195 174.900 -0.700 0.000 1.154 194 G CA 1.308 45.599 45.100 -1.349 0.000 0.767 194 G HN 0.506 nan 8.290 nan 0.000 0.552 195 S N -0.450 115.062 115.700 -0.313 0.000 2.406 195 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 195 S C 2.402 176.933 174.600 -0.115 0.000 1.020 195 S CA 1.015 59.162 58.200 -0.089 0.000 0.965 195 S CB -0.352 62.870 63.200 0.037 0.000 0.798 195 S HN 0.537 nan 8.310 nan 0.000 0.488 196 C N 1.871 121.108 119.300 -0.104 0.000 2.425 196 C HA 0.032 4.492 4.460 -0.000 0.000 0.277 196 C C 3.037 177.830 174.990 -0.327 0.000 1.280 196 C CA 0.441 59.383 59.018 -0.127 0.000 1.744 196 C CB -1.515 26.267 27.740 0.071 0.000 1.989 196 C HN 0.675 nan 8.230 nan 0.000 0.491 197 A N 0.577 123.125 122.820 -0.453 0.000 1.933 197 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 197 A C 2.110 179.498 177.584 -0.327 0.000 1.175 197 A CA 1.514 53.232 52.037 -0.532 0.000 0.628 197 A CB -0.420 18.046 19.000 -0.890 0.000 0.814 197 A HN 0.594 nan 8.150 nan 0.000 0.444 198 E N 0.147 120.200 120.200 -0.245 0.000 2.077 198 E HA -0.203 4.146 4.350 -0.000 0.000 0.193 198 E C 1.867 178.399 176.600 -0.114 0.000 0.989 198 E CA 0.991 57.312 56.400 -0.132 0.000 0.800 198 E CB -0.557 29.103 29.700 -0.067 0.000 0.746 198 E HN 0.737 nan 8.360 nan 0.000 0.452 199 N N 0.399 119.024 118.700 -0.126 0.000 2.094 199 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 199 N C 1.600 177.041 175.510 -0.114 0.000 1.023 199 N CA 1.788 54.776 53.050 -0.104 0.000 0.857 199 N CB 0.097 38.523 38.487 -0.101 0.000 1.013 199 N HN 0.072 nan 8.380 nan 0.000 0.426 200 T N 0.715 115.171 114.554 -0.162 0.000 2.857 200 T HA 0.037 4.386 4.350 -0.000 0.000 0.266 200 T C 1.954 176.584 174.700 -0.117 0.000 1.048 200 T CA 1.016 63.025 62.100 -0.152 0.000 1.139 200 T CB -0.316 68.424 68.868 -0.213 0.000 0.874 200 T HN 0.407 nan 8.240 nan 0.000 0.455 201 A N 2.212 124.963 122.820 -0.116 0.000 1.873 201 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 201 A C 2.291 179.839 177.584 -0.061 0.000 1.193 201 A CA 1.541 53.529 52.037 -0.081 0.000 0.629 201 A CB -0.463 18.494 19.000 -0.072 0.000 0.826 201 A HN 0.313 nan 8.150 nan 0.000 0.447 202 K N -0.247 120.118 120.400 -0.058 0.000 1.987 202 K HA -0.197 4.122 4.320 -0.000 0.000 0.216 202 K C 2.098 178.672 176.600 -0.042 0.000 1.051 202 K CA 2.037 58.298 56.287 -0.044 0.000 0.942 202 K CB -0.396 32.080 32.500 -0.041 0.000 0.722 202 K HN 0.491 nan 8.250 nan 0.000 0.444 203 K N 0.535 120.905 120.400 -0.050 0.000 2.103 203 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 203 K C 1.859 178.434 176.600 -0.042 0.000 1.048 203 K CA 1.044 57.305 56.287 -0.043 0.000 0.930 203 K CB -0.031 32.442 32.500 -0.046 0.000 0.716 203 K HN 0.131 nan 8.250 nan 0.000 0.444 204 L N 0.327 121.519 121.223 -0.052 0.000 2.700 204 L HA 0.124 4.463 4.340 -0.000 0.000 0.234 204 L C -0.080 176.763 176.870 -0.045 0.000 1.156 204 L CA -0.401 54.409 54.840 -0.051 0.000 0.946 204 L CB -0.329 41.690 42.059 -0.066 0.000 1.216 204 L HN 0.242 nan 8.230 nan 0.000 0.493 205 N N 1.831 120.508 118.700 -0.039 0.000 2.688 205 N HA -0.229 4.511 4.740 -0.000 0.000 0.258 205 N C -0.687 174.805 175.510 -0.031 0.000 1.016 205 N CA 0.431 53.462 53.050 -0.031 0.000 0.747 205 N CB -0.999 37.473 38.487 -0.025 0.000 0.895 205 N HN 0.382 nan 8.380 nan 0.000 0.543 206 I N 0.617 121.165 120.570 -0.037 0.000 2.371 206 I HA 0.476 4.646 4.170 -0.000 0.000 0.282 206 I C 0.950 177.054 176.117 -0.021 0.000 1.031 206 I CA -0.596 60.684 61.300 -0.033 0.000 1.180 206 I CB 1.073 39.043 38.000 -0.050 0.000 1.336 206 I HN 0.358 nan 8.210 nan 0.000 0.467 207 A N 4.998 127.812 122.820 -0.010 0.000 2.272 207 A HA 0.412 4.732 4.320 -0.000 0.000 0.275 207 A C 1.432 179.022 177.584 0.009 0.000 1.096 207 A CA -0.376 51.660 52.037 -0.002 0.000 0.822 207 A CB 0.551 19.550 19.000 -0.001 0.000 1.088 207 A HN 0.798 nan 8.150 nan 0.000 0.495 208 R N 0.960 121.468 120.500 0.013 0.000 2.096 208 R HA -0.221 4.119 4.340 -0.000 0.000 0.240 208 R C 1.789 178.105 176.300 0.027 0.000 1.139 208 R CA 2.913 59.027 56.100 0.023 0.000 0.952 208 R CB -0.683 29.628 30.300 0.019 0.000 0.854 208 R HN 0.916 nan 8.270 nan 0.000 0.436 209 N N 0.597 119.308 118.700 0.018 0.000 2.120 209 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 209 N C 1.340 176.866 175.510 0.025 0.000 1.024 209 N CA 2.112 55.172 53.050 0.017 0.000 0.852 209 N CB -0.610 37.883 38.487 0.010 0.000 1.003 209 N HN 0.550 nan 8.380 nan 0.000 0.424 210 E N 0.691 120.908 120.200 0.028 0.000 2.058 210 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 210 E C 2.191 178.836 176.600 0.076 0.000 0.997 210 E CA 1.337 57.762 56.400 0.041 0.000 0.801 210 E CB -0.203 29.512 29.700 0.024 0.000 0.746 210 E HN 0.562 nan 8.360 nan 0.000 0.450 211 Q N 0.495 120.337 119.800 0.069 0.000 2.119 211 Q HA -0.167 4.173 4.340 -0.000 0.000 0.201 211 Q C 1.691 177.773 176.000 0.137 0.000 0.972 211 Q CA 1.156 57.023 55.803 0.107 0.000 0.847 211 Q CB 0.030 28.818 28.738 0.084 0.000 0.903 211 Q HN 0.243 nan 8.270 nan 0.000 0.433 212 D N 0.463 120.913 120.400 0.084 0.000 2.117 212 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 212 D C 1.780 178.093 176.300 0.021 0.000 0.982 212 D CA 1.247 55.279 54.000 0.054 0.000 0.828 212 D CB -0.171 40.641 40.800 0.020 0.000 0.967 212 D HN 0.236 nan 8.370 nan 0.000 0.464 213 A N 0.114 122.948 122.820 0.025 0.000 1.883 213 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 213 A C 2.216 179.805 177.584 0.008 0.000 1.186 213 A CA 1.373 53.408 52.037 -0.003 0.000 0.624 213 A CB -1.142 17.868 19.000 0.017 0.000 0.822 213 A HN 0.342 nan 8.150 nan 0.000 0.444 214 Y N 0.591 120.889 120.300 -0.003 0.000 2.128 214 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 214 Y C 2.712 178.628 175.900 0.026 0.000 1.154 214 Y CA 1.564 59.670 58.100 0.010 0.000 1.149 214 Y CB -0.540 37.930 38.460 0.016 0.000 0.976 214 Y HN 0.331 nan 8.280 nan 0.000 0.505 215 A N 0.416 123.328 122.820 0.154 0.000 1.873 215 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 215 A C 2.271 179.913 177.584 0.098 0.000 1.193 215 A CA 2.314 54.445 52.037 0.156 0.000 0.629 215 A CB -1.285 17.849 19.000 0.223 0.000 0.826 215 A HN 0.585 nan 8.150 nan 0.000 0.447 216 I N -0.060 120.463 120.570 -0.078 0.000 2.208 216 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 216 I C 2.412 178.449 176.117 -0.133 0.000 1.097 216 I CA 1.774 62.878 61.300 -0.327 0.000 1.363 216 I CB -0.466 37.157 38.000 -0.628 0.000 1.051 216 I HN 0.585 nan 8.210 nan 0.000 0.413 217 N N 0.179 118.778 118.700 -0.168 0.000 2.061 217 N HA -0.272 4.468 4.740 -0.000 0.000 0.193 217 N C 1.957 177.362 175.510 -0.175 0.000 1.030 217 N CA 2.062 55.006 53.050 -0.176 0.000 0.856 217 N CB -0.208 38.107 38.487 -0.286 0.000 1.023 217 N HN 0.249 nan 8.380 nan 0.000 0.424 218 S N -1.339 114.181 115.700 -0.299 0.000 2.353 218 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 218 S C 1.799 176.366 174.600 -0.055 0.000 1.035 218 S CA 1.194 59.256 58.200 -0.230 0.000 1.025 218 S CB -0.735 62.304 63.200 -0.267 0.000 0.902 218 S HN 0.515 nan 8.310 nan 0.000 0.440 219 Y N 1.971 122.319 120.300 0.081 0.000 2.165 219 Y HA -0.115 4.435 4.550 -0.000 0.000 0.286 219 Y C 3.005 179.071 175.900 0.277 0.000 1.155 219 Y CA 1.859 60.106 58.100 0.245 0.000 1.164 219 Y CB -1.148 37.551 38.460 0.399 0.000 0.978 219 Y HN 0.295 nan 8.280 nan 0.000 0.513 220 T N -0.190 114.609 114.554 0.408 0.000 2.643 220 T HA -0.197 4.153 4.350 -0.000 0.000 0.264 220 T C 1.948 176.753 174.700 0.174 0.000 1.045 220 T CA 1.688 63.972 62.100 0.306 0.000 1.155 220 T CB -0.283 68.731 68.868 0.243 0.000 0.863 220 T HN 0.268 nan 8.240 nan 0.000 0.420 221 R N 0.946 121.503 120.500 0.095 0.000 2.091 221 R HA -0.061 4.279 4.340 -0.000 0.000 0.238 221 R C 2.947 179.278 176.300 0.050 0.000 1.136 221 R CA 1.547 57.675 56.100 0.047 0.000 0.959 221 R CB -0.435 29.865 30.300 0.001 0.000 0.856 221 R HN 0.257 nan 8.270 nan 0.000 0.437 222 S N 0.725 116.459 115.700 0.056 0.000 2.356 222 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 222 S C 1.803 176.377 174.600 -0.043 0.000 1.032 222 S CA 1.236 59.451 58.200 0.024 0.000 1.005 222 S CB -0.121 63.085 63.200 0.011 0.000 0.867 222 S HN 0.313 nan 8.310 nan 0.000 0.449 223 K N 1.275 121.700 120.400 0.043 0.000 2.026 223 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 223 K C 2.313 178.997 176.600 0.140 0.000 1.048 223 K CA 1.182 57.541 56.287 0.121 0.000 0.929 223 K CB -0.392 32.307 32.500 0.331 0.000 0.713 223 K HN 0.285 nan 8.250 nan 0.000 0.439 224 A N 1.169 124.057 122.820 0.113 0.000 1.892 224 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 224 A C 2.335 179.944 177.584 0.041 0.000 1.188 224 A CA 2.176 54.260 52.037 0.079 0.000 0.631 224 A CB -0.889 18.146 19.000 0.058 0.000 0.822 224 A HN 0.513 nan 8.150 nan 0.000 0.447 225 A N -1.797 121.026 122.820 0.005 0.000 1.902 225 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 225 A C 2.007 179.527 177.584 -0.106 0.000 1.181 225 A CA 1.350 53.306 52.037 -0.134 0.000 0.623 225 A CB -0.858 18.008 19.000 -0.222 0.000 0.818 225 A HN 0.749 nan 8.150 nan 0.000 0.443 226 W N -0.183 121.170 121.300 0.089 0.000 2.381 226 W HA -0.076 4.584 4.660 -0.000 0.000 0.301 226 W C 2.376 178.947 176.519 0.085 0.000 1.205 226 W CA 1.388 58.816 57.345 0.137 0.000 1.285 226 W CB -0.101 29.319 29.460 -0.066 0.000 1.133 226 W HN 0.413 nan 8.180 nan 0.000 0.521 227 E N -0.204 120.171 120.200 0.291 0.000 2.077 227 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 227 E C 2.164 178.829 176.600 0.109 0.000 0.989 227 E CA 1.448 57.961 56.400 0.188 0.000 0.800 227 E CB -0.402 29.387 29.700 0.147 0.000 0.746 227 E HN 0.191 nan 8.360 nan 0.000 0.452 228 A N -0.093 122.757 122.820 0.049 0.000 2.209 228 A HA 0.126 4.446 4.320 -0.000 0.000 0.212 228 A C 1.681 179.242 177.584 -0.039 0.000 1.158 228 A CA 0.954 52.986 52.037 -0.010 0.000 0.742 228 A CB -0.566 18.402 19.000 -0.052 0.000 0.790 228 A HN 0.372 nan 8.150 nan 0.000 0.472 229 G N -0.560 108.231 108.800 -0.015 0.000 2.147 229 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.244 229 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.244 229 G C 0.733 175.519 174.900 -0.191 0.000 1.005 229 G CA 0.533 45.614 45.100 -0.032 0.000 0.713 229 G HN 0.397 nan 8.290 nan 0.000 0.515 230 K N -0.762 119.399 120.400 -0.399 0.000 2.515 230 K HA 0.106 4.426 4.320 -0.000 0.000 0.196 230 K C 0.978 177.034 176.600 -0.908 0.000 1.038 230 K CA 0.720 56.610 56.287 -0.661 0.000 0.967 230 K CB -0.135 31.869 32.500 -0.827 0.000 0.780 230 K HN 0.555 nan 8.250 nan 0.000 0.483 231 F N -0.904 118.788 119.950 -0.430 0.000 2.698 231 F HA 0.241 4.768 4.527 -0.000 0.000 0.304 231 F C 1.861 177.485 175.800 -0.293 0.000 1.108 231 F CA -0.529 57.179 58.000 -0.486 0.000 1.263 231 F CB 0.019 38.426 39.000 -0.988 0.000 1.013 231 F HN -0.059 nan 8.300 nan 0.000 0.532 232 G N 0.839 109.579 108.800 -0.100 0.000 2.469 232 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 232 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 232 G C 1.410 176.280 174.900 -0.050 0.000 1.150 232 G CA 1.379 46.459 45.100 -0.033 0.000 0.763 232 G HN 0.361 nan 8.290 nan 0.000 0.561 233 N N -0.818 117.799 118.700 -0.139 0.000 2.325 233 N HA 0.132 4.872 4.740 -0.000 0.000 0.182 233 N C 1.802 177.141 175.510 -0.286 0.000 1.088 233 N CA 0.446 53.403 53.050 -0.155 0.000 0.879 233 N CB 0.295 38.723 38.487 -0.099 0.000 0.983 233 N HN 0.519 nan 8.380 nan 0.000 0.471 234 E N 0.274 120.238 120.200 -0.393 0.000 2.057 234 E HA 0.036 4.386 4.350 -0.000 0.000 0.190 234 E C -0.246 176.332 176.600 -0.038 0.000 0.969 234 E CA 0.516 56.722 56.400 -0.324 0.000 0.812 234 E CB 0.435 30.011 29.700 -0.206 0.000 0.777 234 E HN -0.084 nan 8.360 nan 0.000 0.455 235 V N 3.308 123.237 119.914 0.024 0.000 2.498 235 V HA 0.213 4.333 4.120 -0.000 0.000 0.279 235 V C 0.331 176.485 176.094 0.100 0.000 1.048 235 V CA -0.314 62.045 62.300 0.099 0.000 0.967 235 V CB 0.934 32.886 31.823 0.215 0.000 0.988 235 V HN 0.214 nan 8.190 nan 0.000 0.473 236 I N 4.129 124.752 120.570 0.088 0.000 2.525 236 I HA 0.693 4.862 4.170 -0.000 0.000 0.301 236 I C -2.445 173.719 176.117 0.079 0.000 0.992 236 I CA -2.515 58.831 61.300 0.076 0.000 1.162 236 I CB 1.932 39.966 38.000 0.056 0.000 1.332 236 I HN 0.369 nan 8.210 nan 0.000 0.458 237 P HA 0.186 nan 4.420 nan 0.000 0.277 237 P C -0.799 176.523 177.300 0.037 0.000 1.240 237 P CA -0.285 62.848 63.100 0.055 0.000 0.798 237 P CB 2.042 33.772 31.700 0.050 0.000 0.979 238 V N 0.878 120.807 119.914 0.025 0.000 2.604 238 V HA 0.533 4.653 4.120 -0.000 0.000 0.305 238 V C -0.664 175.435 176.094 0.008 0.000 1.043 238 V CA -0.306 62.004 62.300 0.017 0.000 0.888 238 V CB 1.819 33.652 31.823 0.016 0.000 0.995 238 V HN 0.499 nan 8.190 nan 0.000 0.429 239 T N 6.093 120.652 114.554 0.007 0.000 2.744 239 T HA 0.525 4.875 4.350 -0.000 0.000 0.291 239 T C -0.235 174.465 174.700 -0.001 0.000 0.957 239 T CA -0.222 61.879 62.100 0.002 0.000 1.002 239 T CB 1.099 69.969 68.868 0.004 0.000 0.919 239 T HN 0.720 nan 8.240 nan 0.000 0.468 240 V N 4.609 124.519 119.914 -0.006 0.000 2.383 240 V HA 0.376 4.496 4.120 -0.000 0.000 0.275 240 V C 0.456 176.545 176.094 -0.008 0.000 1.036 240 V CA -0.601 61.694 62.300 -0.008 0.000 0.889 240 V CB 1.042 32.857 31.823 -0.013 0.000 0.985 240 V HN 0.935 nan 8.190 nan 0.000 0.459 241 T N 4.853 119.403 114.554 -0.007 0.000 2.791 241 T HA 0.616 4.966 4.350 -0.000 0.000 0.288 241 T C -0.363 174.332 174.700 -0.007 0.000 0.999 241 T CA -0.380 61.716 62.100 -0.006 0.000 0.952 241 T CB 1.492 70.358 68.868 -0.003 0.000 0.938 241 T HN 0.353 nan 8.240 nan 0.000 0.444 242 V N 3.773 123.682 119.914 -0.009 0.000 2.604 242 V HA 0.393 4.513 4.120 -0.000 0.000 0.305 242 V C 0.102 176.191 176.094 -0.008 0.000 1.043 242 V CA -1.301 60.994 62.300 -0.009 0.000 0.888 242 V CB 2.083 33.899 31.823 -0.012 0.000 0.995 242 V HN 0.760 nan 8.190 nan 0.000 0.429 243 K N 2.576 122.971 120.400 -0.007 0.000 2.472 243 K HA 0.371 4.690 4.320 -0.000 0.000 0.280 243 K C 1.276 177.872 176.600 -0.007 0.000 1.028 243 K CA 1.038 57.322 56.287 -0.006 0.000 1.045 243 K CB 0.240 32.737 32.500 -0.006 0.000 0.902 243 K HN 1.131 nan 8.250 nan 0.000 0.478 244 G N 2.014 110.810 108.800 -0.006 0.000 2.320 244 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.242 244 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.242 244 G C 0.087 174.982 174.900 -0.008 0.000 1.033 244 G CA -0.164 44.932 45.100 -0.007 0.000 0.620 244 G HN 0.576 nan 8.290 nan 0.000 0.517 245 Q N 1.213 121.008 119.800 -0.009 0.000 2.205 245 Q HA 0.505 4.845 4.340 -0.000 0.000 0.249 245 Q C -2.219 173.776 176.000 -0.009 0.000 0.948 245 Q CA -1.543 54.254 55.803 -0.010 0.000 0.895 245 Q CB 1.866 30.597 28.738 -0.012 0.000 1.249 245 Q HN 0.340 nan 8.270 nan 0.000 0.458 246 P HA 0.094 nan 4.420 nan 0.000 0.274 246 P C -0.919 176.375 177.300 -0.010 0.000 1.231 246 P CA -0.333 62.762 63.100 -0.009 0.000 0.790 246 P CB 0.536 32.231 31.700 -0.009 0.000 0.951 247 D N 0.316 120.711 120.400 -0.008 0.000 2.506 247 D HA 0.102 4.742 4.640 -0.000 0.000 0.234 247 D C -0.165 176.129 176.300 -0.010 0.000 1.143 247 D CA 0.450 54.446 54.000 -0.008 0.000 0.871 247 D CB 0.253 41.050 40.800 -0.005 0.000 1.190 247 D HN -0.018 nan 8.370 nan 0.000 0.459 248 V N 2.732 122.638 119.914 -0.012 0.000 2.378 248 V HA 0.208 4.328 4.120 -0.000 0.000 0.288 248 V C 0.065 176.151 176.094 -0.014 0.000 1.016 248 V CA -0.862 61.428 62.300 -0.016 0.000 0.840 248 V CB 1.873 33.683 31.823 -0.022 0.000 0.994 248 V HN 0.226 nan 8.190 nan 0.000 0.431 249 V N 6.168 126.075 119.914 -0.013 0.000 2.368 249 V HA 0.270 4.389 4.120 -0.000 0.000 0.266 249 V C 0.085 176.169 176.094 -0.017 0.000 1.045 249 V CA -0.401 61.894 62.300 -0.008 0.000 0.899 249 V CB 1.580 33.402 31.823 -0.001 0.000 1.006 249 V HN 0.642 nan 8.190 nan 0.000 0.470 250 V N 6.682 126.586 119.914 -0.017 0.000 2.348 250 V HA 0.294 4.414 4.120 -0.000 0.000 0.270 250 V C 0.872 176.953 176.094 -0.021 0.000 1.037 250 V CA -0.427 61.854 62.300 -0.032 0.000 0.872 250 V CB 0.741 32.546 31.823 -0.031 0.000 1.002 250 V HN 1.036 nan 8.190 nan 0.000 0.464 251 K N 3.304 123.680 120.400 -0.039 0.000 2.402 251 K HA 0.374 4.694 4.320 -0.000 0.000 0.204 251 K C 0.259 176.828 176.600 -0.051 0.000 1.056 251 K CA -0.314 55.974 56.287 0.002 0.000 1.069 251 K CB 0.871 33.390 32.500 0.031 0.000 0.888 251 K HN 0.773 nan 8.250 nan 0.000 0.546 252 E N 0.362 120.410 120.200 -0.253 0.000 2.449 252 E HA 0.244 4.594 4.350 -0.000 0.000 0.278 252 E C -1.535 174.759 176.600 -0.510 0.000 0.992 252 E CA -1.094 54.857 56.400 -0.749 0.000 0.807 252 E CB 0.745 29.643 29.700 -1.337 0.000 1.350 252 E HN -0.132 nan 8.360 nan 0.000 0.462 253 D N 1.269 121.325 120.400 -0.572 0.000 2.458 253 D HA -0.044 4.596 4.640 -0.000 0.000 0.243 253 D C 0.437 176.657 176.300 -0.134 0.000 1.146 253 D CA 0.482 54.396 54.000 -0.143 0.000 0.877 253 D CB 1.352 42.209 40.800 0.095 0.000 1.176 253 D HN 0.643 nan 8.370 nan 0.000 0.461 254 E N 1.772 121.920 120.200 -0.087 0.000 2.122 254 E HA -0.165 4.185 4.350 -0.000 0.000 0.190 254 E C 1.250 177.785 176.600 -0.108 0.000 0.977 254 E CA 0.473 56.798 56.400 -0.125 0.000 0.820 254 E CB 0.279 29.935 29.700 -0.073 0.000 0.770 254 E HN 0.288 nan 8.360 nan 0.000 0.462 255 E N -0.011 120.195 120.200 0.009 0.000 2.110 255 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 255 E C 1.841 178.525 176.600 0.141 0.000 0.988 255 E CA 1.560 58.006 56.400 0.076 0.000 0.804 255 E CB -0.446 29.320 29.700 0.109 0.000 0.745 255 E HN 0.597 nan 8.360 nan 0.000 0.458 256 Y N -0.414 119.938 120.300 0.087 0.000 2.497 256 Y HA 0.066 4.615 4.550 -0.000 0.000 0.292 256 Y C 1.520 177.567 175.900 0.244 0.000 1.137 256 Y CA 0.876 59.102 58.100 0.209 0.000 1.285 256 Y CB -0.147 38.398 38.460 0.141 0.000 0.991 256 Y HN -0.120 nan 8.280 nan 0.000 0.556 257 K N 0.839 120.949 120.400 -0.483 0.000 2.305 257 K HA 0.084 4.404 4.320 -0.000 0.000 0.199 257 K C 0.537 177.050 176.600 -0.146 0.000 1.047 257 K CA 0.363 56.418 56.287 -0.386 0.000 0.976 257 K CB 0.004 32.200 32.500 -0.508 0.000 0.765 257 K HN 0.276 nan 8.250 nan 0.000 0.474 258 R N 1.687 122.158 120.500 -0.048 0.000 4.164 258 R HA 0.141 4.481 4.340 -0.000 0.000 0.195 258 R C -0.712 175.583 176.300 -0.008 0.000 1.712 258 R CA -0.057 56.037 56.100 -0.010 0.000 1.457 258 R CB 0.131 30.450 30.300 0.032 0.000 1.387 258 R HN -0.086 nan 8.270 nan 0.000 0.785 259 V N 0.761 120.610 119.914 -0.109 0.000 3.049 259 V HA 0.339 4.458 4.120 -0.000 0.000 0.309 259 V C -1.605 174.409 176.094 -0.133 0.000 1.148 259 V CA -0.814 61.347 62.300 -0.230 0.000 0.990 259 V CB 2.723 34.195 31.823 -0.584 0.000 1.039 259 V HN 0.389 nan 8.190 nan 0.000 0.430 260 D N 4.014 124.375 120.400 -0.064 0.000 2.358 260 D HA 0.282 4.922 4.640 -0.000 0.000 0.253 260 D C 0.479 176.855 176.300 0.126 0.000 1.288 260 D CA -0.364 53.633 54.000 -0.006 0.000 0.950 260 D CB 0.975 41.766 40.800 -0.016 0.000 1.197 260 D HN 0.300 nan 8.370 nan 0.000 0.550 261 F N 1.731 121.612 119.950 -0.115 0.000 2.154 261 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 261 F C 2.690 178.461 175.800 -0.049 0.000 1.087 261 F CA 1.514 59.464 58.000 -0.083 0.000 1.274 261 F CB -1.033 37.936 39.000 -0.053 0.000 1.009 261 F HN 0.434 nan 8.300 nan 0.000 0.485 262 S N -0.564 115.228 115.700 0.154 0.000 2.383 262 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 262 S C 2.065 176.690 174.600 0.042 0.000 1.026 262 S CA 1.216 59.461 58.200 0.076 0.000 0.981 262 S CB -0.588 62.641 63.200 0.049 0.000 0.818 262 S HN 0.419 nan 8.310 nan 0.000 0.472 263 K N 0.811 121.232 120.400 0.036 0.000 2.217 263 K HA 0.051 4.371 4.320 -0.000 0.000 0.202 263 K C 1.904 178.511 176.600 0.011 0.000 1.051 263 K CA 0.875 57.172 56.287 0.017 0.000 0.952 263 K CB -0.362 32.143 32.500 0.009 0.000 0.736 263 K HN 0.289 nan 8.250 nan 0.000 0.453 264 V N 2.266 122.186 119.914 0.010 0.000 2.233 264 V HA -0.244 3.876 4.120 -0.000 0.000 0.252 264 V C -1.019 175.076 176.094 0.001 0.000 1.063 264 V CA 2.258 64.555 62.300 -0.005 0.000 1.032 264 V CB -1.179 30.616 31.823 -0.048 0.000 0.645 264 V HN 0.410 nan 8.190 nan 0.000 0.446 265 P HA -0.042 nan 4.420 nan 0.000 0.241 265 P C 1.114 178.417 177.300 0.004 0.000 1.191 265 P CA 1.036 64.137 63.100 0.001 0.000 0.771 265 P CB -0.007 31.692 31.700 -0.001 0.000 0.929 266 K N -1.027 119.375 120.400 0.005 0.000 2.314 266 K HA 0.084 4.403 4.320 -0.000 0.000 0.198 266 K C 0.650 177.251 176.600 0.001 0.000 1.045 266 K CA -0.219 56.069 56.287 0.003 0.000 0.988 266 K CB -0.144 32.358 32.500 0.004 0.000 0.783 266 K HN 0.080 nan 8.250 nan 0.000 0.484 267 L N 2.280 123.504 121.223 0.002 0.000 2.506 267 L HA -0.062 4.278 4.340 -0.000 0.000 0.281 267 L C 0.502 177.368 176.870 -0.007 0.000 1.228 267 L CA 0.869 55.708 54.840 -0.003 0.000 0.850 267 L CB 0.125 42.187 42.059 0.004 0.000 1.110 267 L HN -0.035 nan 8.230 nan 0.000 0.496 268 K N 0.724 121.113 120.400 -0.019 0.000 2.098 268 K HA 0.352 4.672 4.320 -0.000 0.000 0.257 268 K C -0.071 176.506 176.600 -0.040 0.000 0.999 268 K CA -0.472 55.800 56.287 -0.026 0.000 0.924 268 K CB 0.519 33.000 32.500 -0.031 0.000 1.028 268 K HN 0.687 nan 8.250 nan 0.000 0.466 269 T N -1.697 112.836 114.554 -0.035 0.000 2.739 269 T HA 0.159 4.509 4.350 -0.000 0.000 0.298 269 T C 1.431 176.069 174.700 -0.104 0.000 0.929 269 T CA -0.799 61.278 62.100 -0.039 0.000 1.014 269 T CB -0.023 68.845 68.868 0.000 0.000 0.914 269 T HN 0.317 nan 8.240 nan 0.000 0.509 270 V N 0.356 120.129 119.914 -0.236 0.000 2.626 270 V HA 0.043 4.163 4.120 -0.000 0.000 0.252 270 V C 1.573 177.360 176.094 -0.512 0.000 1.067 270 V CA 0.944 62.974 62.300 -0.450 0.000 1.081 270 V CB -1.291 30.117 31.823 -0.691 0.000 0.686 270 V HN 0.760 nan 8.190 nan 0.000 0.468 271 F N 0.517 120.434 119.950 -0.055 0.000 2.714 271 F HA 0.425 4.951 4.527 -0.000 0.000 0.294 271 F C 1.302 177.078 175.800 -0.039 0.000 1.120 271 F CA 0.126 58.084 58.000 -0.069 0.000 1.398 271 F CB 0.236 39.179 39.000 -0.095 0.000 1.120 271 F HN 0.257 nan 8.300 nan 0.000 0.589 272 Q N 0.294 120.154 119.800 0.099 0.000 2.406 272 Q HA 0.197 4.536 4.340 -0.000 0.000 0.244 272 Q C 0.148 176.161 176.000 0.021 0.000 0.884 272 Q CA -0.236 55.601 55.803 0.058 0.000 0.813 272 Q CB 1.302 30.074 28.738 0.057 0.000 1.368 272 Q HN 0.118 nan 8.270 nan 0.000 0.439 273 K N 1.367 121.772 120.400 0.009 0.000 2.025 273 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 273 K C 0.359 176.960 176.600 0.001 0.000 1.049 273 K CA 0.995 57.281 56.287 -0.002 0.000 0.933 273 K CB 0.256 32.753 32.500 -0.005 0.000 0.714 273 K HN 0.474 nan 8.250 nan 0.000 0.438 274 E N 1.137 121.340 120.200 0.005 0.000 2.200 274 E HA 0.040 4.390 4.350 -0.000 0.000 0.283 274 E C -0.870 175.733 176.600 0.004 0.000 1.015 274 E CA -0.050 56.352 56.400 0.004 0.000 0.819 274 E CB 0.393 30.096 29.700 0.004 0.000 1.081 274 E HN 0.202 nan 8.360 nan 0.000 0.397 275 N N 1.945 120.646 118.700 0.002 0.000 2.741 275 N HA -0.197 4.543 4.740 -0.000 0.000 0.250 275 N C 0.022 175.534 175.510 0.003 0.000 1.115 275 N CA 0.364 53.415 53.050 0.001 0.000 0.724 275 N CB -0.711 37.775 38.487 -0.001 0.000 1.090 275 N HN 0.568 nan 8.380 nan 0.000 0.558 276 G N -0.786 108.018 108.800 0.008 0.000 2.599 276 G HA2 0.407 4.367 3.960 -0.000 0.000 0.264 276 G HA3 0.407 4.367 3.960 -0.000 0.000 0.264 276 G C 0.962 175.871 174.900 0.016 0.000 1.200 276 G CA 0.498 45.608 45.100 0.016 0.000 0.896 276 G HN 0.283 nan 8.290 nan 0.000 0.536 277 T N -3.928 110.642 114.554 0.027 0.000 3.051 277 T HA 0.162 4.511 4.350 -0.000 0.000 0.254 277 T C 0.437 175.174 174.700 0.062 0.000 0.916 277 T CA 0.029 62.148 62.100 0.031 0.000 0.894 277 T CB 0.035 68.911 68.868 0.014 0.000 1.251 277 T HN 0.315 nan 8.240 nan 0.000 0.517 278 V N 3.930 123.899 119.914 0.092 0.000 2.498 278 V HA 0.649 4.769 4.120 -0.000 0.000 0.279 278 V C 0.680 176.876 176.094 0.169 0.000 1.048 278 V CA -0.009 62.398 62.300 0.178 0.000 0.967 278 V CB 0.985 32.946 31.823 0.231 0.000 0.988 278 V HN 0.800 nan 8.190 nan 0.000 0.473 279 T N 1.470 116.124 114.554 0.167 0.000 2.888 279 T HA 0.669 5.019 4.350 -0.000 0.000 0.288 279 T C 1.077 175.844 174.700 0.111 0.000 1.063 279 T CA -0.043 62.101 62.100 0.073 0.000 1.010 279 T CB 1.932 70.835 68.868 0.058 0.000 1.214 279 T HN 0.665 nan 8.240 nan 0.000 0.533 280 A N 0.383 123.220 122.820 0.029 0.000 1.978 280 A HA 0.200 4.520 4.320 -0.000 0.000 0.220 280 A C 2.447 180.115 177.584 0.139 0.000 1.170 280 A CA 2.140 54.218 52.037 0.067 0.000 0.636 280 A CB -1.462 17.547 19.000 0.017 0.000 0.810 280 A HN 1.280 nan 8.150 nan 0.000 0.448 281 A N 0.939 123.840 122.820 0.136 0.000 1.903 281 A HA -0.077 4.242 4.320 -0.000 0.000 0.213 281 A C 1.676 179.419 177.584 0.265 0.000 1.185 281 A CA 1.546 53.693 52.037 0.184 0.000 0.628 281 A CB -0.497 18.566 19.000 0.105 0.000 0.830 281 A HN 0.735 nan 8.150 nan 0.000 0.446 282 N N -0.141 118.695 118.700 0.227 0.000 2.336 282 N HA 0.350 5.090 4.740 -0.000 0.000 0.189 282 N C 0.270 175.952 175.510 0.287 0.000 1.113 282 N CA 0.641 53.842 53.050 0.251 0.000 0.858 282 N CB -0.145 38.467 38.487 0.209 0.000 0.970 282 N HN 0.368 nan 8.380 nan 0.000 0.471 283 A N 0.286 123.292 122.820 0.310 0.000 2.282 283 A HA 0.645 4.964 4.320 -0.000 0.000 0.319 283 A C 0.480 178.129 177.584 0.108 0.000 1.121 283 A CA -0.480 51.748 52.037 0.317 0.000 0.836 283 A CB 0.406 19.738 19.000 0.554 0.000 1.146 283 A HN 0.421 nan 8.150 nan 0.000 0.494 284 S N 0.328 115.964 115.700 -0.106 0.000 2.589 284 S HA 0.461 4.931 4.470 -0.000 0.000 0.265 284 S C 0.505 175.122 174.600 0.028 0.000 1.342 284 S CA 0.294 58.459 58.200 -0.059 0.000 1.005 284 S CB 0.239 63.369 63.200 -0.116 0.000 0.909 284 S HN 1.339 nan 8.310 nan 0.000 0.555 285 T N -1.094 113.496 114.554 0.059 0.000 2.919 285 T HA 0.643 4.993 4.350 -0.000 0.000 0.282 285 T C -0.484 174.230 174.700 0.022 0.000 1.020 285 T CA -1.072 61.065 62.100 0.062 0.000 0.994 285 T CB 0.298 69.221 68.868 0.092 0.000 1.180 285 T HN 0.339 nan 8.240 nan 0.000 0.566 286 L N 2.306 123.509 121.223 -0.033 0.000 2.292 286 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 286 L C -0.130 176.774 176.870 0.056 0.000 1.065 286 L CA -0.001 54.777 54.840 -0.104 0.000 0.806 286 L CB 0.258 42.044 42.059 -0.456 0.000 1.175 286 L HN 0.798 nan 8.230 nan 0.000 0.431 287 N N 0.784 119.526 118.700 0.069 0.000 2.708 287 N HA 0.536 5.276 4.740 -0.000 0.000 0.257 287 N C -1.840 173.722 175.510 0.086 0.000 1.373 287 N CA -0.858 52.255 53.050 0.106 0.000 0.843 287 N CB 1.665 40.200 38.487 0.081 0.000 1.503 287 N HN 0.368 nan 8.380 nan 0.000 0.504 288 D N -0.219 120.226 120.400 0.076 0.000 2.362 288 D HA 0.740 5.380 4.640 -0.000 0.000 0.247 288 D C -0.215 176.109 176.300 0.040 0.000 1.050 288 D CA -0.252 53.779 54.000 0.051 0.000 0.839 288 D CB 1.795 42.620 40.800 0.042 0.000 1.283 288 D HN 0.657 nan 8.370 nan 0.000 0.477 289 G N -0.597 108.223 108.800 0.033 0.000 2.387 289 G HA2 0.620 4.580 3.960 -0.000 0.000 0.294 289 G HA3 0.620 4.580 3.960 -0.000 0.000 0.294 289 G C -1.950 172.970 174.900 0.033 0.000 1.509 289 G CA -0.481 44.640 45.100 0.035 0.000 0.806 289 G HN 0.580 nan 8.290 nan 0.000 0.546 290 A N -0.811 122.030 122.820 0.036 0.000 2.515 290 A HA 1.082 5.401 4.320 -0.000 0.000 0.298 290 A C -0.247 177.363 177.584 0.045 0.000 1.059 290 A CA 0.118 52.177 52.037 0.037 0.000 0.698 290 A CB 1.700 20.719 19.000 0.031 0.000 1.289 290 A HN 2.502 nan 8.150 nan 0.000 0.404 291 A N 0.271 123.119 122.820 0.047 0.000 2.435 291 A HA 0.982 5.302 4.320 -0.000 0.000 0.304 291 A C -0.371 177.243 177.584 0.050 0.000 1.064 291 A CA -0.010 52.060 52.037 0.056 0.000 0.727 291 A CB 1.540 20.579 19.000 0.064 0.000 1.284 291 A HN 2.568 nan 8.150 nan 0.000 0.415 292 A N 1.066 123.918 122.820 0.053 0.000 2.486 292 A HA 0.749 5.069 4.320 -0.000 0.000 0.300 292 A C -1.760 175.850 177.584 0.044 0.000 1.048 292 A CA -0.350 51.713 52.037 0.043 0.000 0.696 292 A CB 1.043 20.065 19.000 0.036 0.000 1.278 292 A HN 0.858 nan 8.150 nan 0.000 0.405 293 L N 1.423 122.663 121.223 0.028 0.000 2.365 293 L HA 0.569 4.909 4.340 -0.000 0.000 0.273 293 L C -0.261 176.609 176.870 -0.000 0.000 1.000 293 L CA -0.542 54.309 54.840 0.017 0.000 0.819 293 L CB 2.044 44.107 42.059 0.007 0.000 1.284 293 L HN 0.449 nan 8.230 nan 0.000 0.418 294 V N 4.372 124.285 119.914 -0.003 0.000 2.432 294 V HA 0.351 4.471 4.120 -0.000 0.000 0.271 294 V C -0.213 175.867 176.094 -0.024 0.000 1.046 294 V CA -0.392 61.899 62.300 -0.015 0.000 0.945 294 V CB 1.088 32.905 31.823 -0.009 0.000 0.992 294 V HN 0.354 nan 8.190 nan 0.000 0.471 295 L N 6.912 128.114 121.223 -0.034 0.000 2.334 295 L HA 0.804 5.144 4.340 -0.000 0.000 0.276 295 L C -0.125 176.724 176.870 -0.035 0.000 1.014 295 L CA -0.176 54.643 54.840 -0.035 0.000 0.815 295 L CB 1.657 43.688 42.059 -0.046 0.000 1.268 295 L HN 0.816 nan 8.230 nan 0.000 0.428 296 M N -0.509 119.075 119.600 -0.027 0.000 2.721 296 M HA 0.622 5.102 4.480 -0.000 0.000 0.271 296 M C -0.436 175.854 176.300 -0.016 0.000 1.259 296 M CA -0.838 54.448 55.300 -0.024 0.000 0.835 296 M CB 1.904 34.491 32.600 -0.021 0.000 1.689 296 M HN 0.459 nan 8.290 nan 0.000 0.470 297 T N -0.596 113.949 114.554 -0.015 0.000 2.860 297 T HA 0.532 4.882 4.350 -0.000 0.000 0.299 297 T C 1.200 175.893 174.700 -0.011 0.000 1.045 297 T CA -0.088 62.006 62.100 -0.010 0.000 1.071 297 T CB 1.144 70.006 68.868 -0.010 0.000 0.985 297 T HN 0.854 nan 8.240 nan 0.000 0.537 298 A N 1.713 124.527 122.820 -0.010 0.000 1.917 298 A HA -0.152 4.167 4.320 -0.000 0.000 0.219 298 A C 2.032 179.609 177.584 -0.011 0.000 1.182 298 A CA 1.901 53.931 52.037 -0.012 0.000 0.633 298 A CB -0.990 18.003 19.000 -0.011 0.000 0.819 298 A HN 0.918 nan 8.150 nan 0.000 0.448 299 D N 0.120 120.514 120.400 -0.010 0.000 2.104 299 D HA -0.094 4.546 4.640 -0.000 0.000 0.194 299 D C 2.269 178.564 176.300 -0.009 0.000 0.994 299 D CA 1.667 55.662 54.000 -0.009 0.000 0.830 299 D CB -0.653 40.143 40.800 -0.007 0.000 0.959 299 D HN 0.442 nan 8.370 nan 0.000 0.452 300 A N 1.213 124.027 122.820 -0.009 0.000 1.908 300 A HA -0.131 4.188 4.320 -0.000 0.000 0.218 300 A C 2.348 179.926 177.584 -0.011 0.000 1.181 300 A CA 2.581 54.613 52.037 -0.010 0.000 0.627 300 A CB -0.835 18.158 19.000 -0.011 0.000 0.818 300 A HN 0.254 nan 8.150 nan 0.000 0.445 301 A N -0.302 122.511 122.820 -0.012 0.000 1.908 301 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 301 A C 2.118 179.695 177.584 -0.012 0.000 1.181 301 A CA 1.957 53.986 52.037 -0.014 0.000 0.627 301 A CB -0.424 18.566 19.000 -0.017 0.000 0.818 301 A HN 0.586 nan 8.150 nan 0.000 0.445 302 K N -0.930 119.463 120.400 -0.011 0.000 2.025 302 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 302 K C 2.371 178.966 176.600 -0.008 0.000 1.049 302 K CA 1.329 57.610 56.287 -0.010 0.000 0.933 302 K CB -0.193 32.301 32.500 -0.010 0.000 0.714 302 K HN 0.471 nan 8.250 nan 0.000 0.438 303 R N 1.222 121.717 120.500 -0.007 0.000 2.091 303 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 303 R C 1.709 178.005 176.300 -0.006 0.000 1.136 303 R CA 1.313 57.409 56.100 -0.006 0.000 0.959 303 R CB -0.123 30.174 30.300 -0.005 0.000 0.856 303 R HN 0.155 nan 8.270 nan 0.000 0.437 304 L N 0.371 121.590 121.223 -0.007 0.000 2.592 304 L HA 0.102 4.442 4.340 -0.000 0.000 0.227 304 L C 0.235 177.101 176.870 -0.006 0.000 1.127 304 L CA 0.017 54.854 54.840 -0.006 0.000 0.884 304 L CB -0.294 41.761 42.059 -0.007 0.000 1.065 304 L HN 0.347 nan 8.230 nan 0.000 0.457 305 N N 0.403 119.099 118.700 -0.007 0.000 2.714 305 N HA -0.174 4.566 4.740 -0.000 0.000 0.252 305 N C -0.399 175.106 175.510 -0.008 0.000 1.014 305 N CA 0.571 53.616 53.050 -0.008 0.000 0.735 305 N CB -0.420 38.063 38.487 -0.006 0.000 0.924 305 N HN 0.263 nan 8.380 nan 0.000 0.540 306 V N -2.314 117.594 119.914 -0.010 0.000 2.630 306 V HA 0.777 4.897 4.120 -0.000 0.000 0.305 306 V C 0.684 176.769 176.094 -0.015 0.000 1.046 306 V CA -0.265 62.028 62.300 -0.011 0.000 0.934 306 V CB 1.887 33.704 31.823 -0.011 0.000 1.003 306 V HN 0.225 nan 8.190 nan 0.000 0.451 307 T N 2.082 116.626 114.554 -0.017 0.000 2.744 307 T HA 0.646 4.996 4.350 -0.000 0.000 0.291 307 T C -2.458 172.224 174.700 -0.030 0.000 0.957 307 T CA -1.509 60.578 62.100 -0.023 0.000 1.002 307 T CB 0.742 69.597 68.868 -0.022 0.000 0.919 307 T HN 0.730 nan 8.240 nan 0.000 0.468 308 P HA 0.294 nan 4.420 nan 0.000 0.274 308 P C 0.327 177.592 177.300 -0.058 0.000 1.231 308 P CA -0.774 62.300 63.100 -0.043 0.000 0.790 308 P CB 0.655 32.332 31.700 -0.039 0.000 0.951 309 L N 0.795 121.971 121.223 -0.077 0.000 2.168 309 L HA 0.352 4.692 4.340 -0.000 0.000 0.203 309 L C 1.013 177.821 176.870 -0.104 0.000 1.078 309 L CA 1.113 55.889 54.840 -0.107 0.000 0.780 309 L CB -1.281 40.678 42.059 -0.168 0.000 0.939 309 L HN 0.512 nan 8.230 nan 0.000 0.451 310 A N -1.215 121.553 122.820 -0.088 0.000 2.610 310 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 310 A C -0.756 176.800 177.584 -0.047 0.000 1.086 310 A CA -0.656 51.335 52.037 -0.076 0.000 0.677 310 A CB 1.174 20.123 19.000 -0.085 0.000 1.278 310 A HN 0.014 nan 8.150 nan 0.000 0.414 311 R N 1.144 121.623 120.500 -0.035 0.000 2.346 311 R HA 0.660 5.000 4.340 -0.000 0.000 0.311 311 R C -1.298 175.015 176.300 0.023 0.000 0.983 311 R CA -0.559 55.536 56.100 -0.008 0.000 0.880 311 R CB 0.645 30.939 30.300 -0.010 0.000 1.100 311 R HN 0.650 nan 8.270 nan 0.000 0.453 312 I N 5.699 126.298 120.570 0.047 0.000 2.322 312 I HA 0.030 4.200 4.170 -0.000 0.000 0.292 312 I C 0.898 177.076 176.117 0.102 0.000 1.060 312 I CA -0.295 61.063 61.300 0.098 0.000 1.309 312 I CB 1.624 39.706 38.000 0.138 0.000 1.415 312 I HN 0.589 nan 8.210 nan 0.000 0.492 313 V N 6.169 126.136 119.914 0.089 0.000 2.436 313 V HA 0.284 4.403 4.120 -0.000 0.000 0.240 313 V C 0.775 176.840 176.094 -0.048 0.000 1.040 313 V CA 1.017 63.340 62.300 0.039 0.000 1.052 313 V CB -0.030 31.835 31.823 0.071 0.000 0.707 313 V HN 0.839 nan 8.190 nan 0.000 0.469 314 A N -0.145 122.642 122.820 -0.056 0.000 2.601 314 A HA 0.791 5.111 4.320 -0.000 0.000 0.291 314 A C -1.589 175.935 177.584 -0.099 0.000 1.075 314 A CA -0.467 51.414 52.037 -0.260 0.000 0.671 314 A CB 1.445 20.324 19.000 -0.202 0.000 1.277 314 A HN 0.454 nan 8.150 nan 0.000 0.417 315 F N -2.362 117.590 119.950 0.003 0.000 2.713 315 F HA 0.953 5.480 4.527 -0.000 0.000 0.311 315 F C -0.298 175.514 175.800 0.019 0.000 1.141 315 F CA -0.663 57.344 58.000 0.012 0.000 0.939 315 F CB 1.224 40.235 39.000 0.020 0.000 1.325 315 F HN 1.581 nan 8.300 nan 0.000 0.453 316 A N 0.260 123.245 122.820 0.275 0.000 2.601 316 A HA 0.669 4.989 4.320 -0.000 0.000 0.291 316 A C -2.284 175.398 177.584 0.164 0.000 1.075 316 A CA -0.804 51.340 52.037 0.177 0.000 0.671 316 A CB 1.695 20.749 19.000 0.091 0.000 1.277 316 A HN 0.770 nan 8.150 nan 0.000 0.417 317 D N 0.221 120.699 120.400 0.130 0.000 2.481 317 D HA 0.666 5.306 4.640 -0.000 0.000 0.244 317 D C -0.344 176.013 176.300 0.095 0.000 1.057 317 D CA 0.079 54.143 54.000 0.107 0.000 0.848 317 D CB 2.254 43.108 40.800 0.090 0.000 1.388 317 D HN 0.886 nan 8.370 nan 0.000 0.475 318 A N 0.557 123.439 122.820 0.104 0.000 2.469 318 A HA 0.875 5.195 4.320 -0.000 0.000 0.299 318 A C -1.367 176.276 177.584 0.099 0.000 1.098 318 A CA -0.594 51.507 52.037 0.106 0.000 0.737 318 A CB 2.056 21.157 19.000 0.168 0.000 1.312 318 A HN 0.594 nan 8.150 nan 0.000 0.414 319 A N 0.167 123.030 122.820 0.070 0.000 2.515 319 A HA 0.838 5.157 4.320 -0.000 0.000 0.298 319 A C -0.336 177.271 177.584 0.039 0.000 1.059 319 A CA 0.046 52.122 52.037 0.065 0.000 0.698 319 A CB 1.153 20.176 19.000 0.038 0.000 1.289 319 A HN 2.318 nan 8.150 nan 0.000 0.404 320 V N -1.752 118.198 119.914 0.060 0.000 3.105 320 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 320 V C -0.226 175.879 176.094 0.019 0.000 1.282 320 V CA -1.101 61.218 62.300 0.033 0.000 1.065 320 V CB 0.897 32.775 31.823 0.092 0.000 1.136 320 V HN 0.787 nan 8.190 nan 0.000 0.469 321 E N 1.561 121.763 120.200 0.004 0.000 2.502 321 E HA 0.087 4.437 4.350 -0.000 0.000 0.261 321 E C -1.795 174.826 176.600 0.035 0.000 0.974 321 E CA -1.008 55.386 56.400 -0.010 0.000 0.936 321 E CB 0.934 30.627 29.700 -0.011 0.000 0.926 321 E HN 0.486 nan 8.360 nan 0.000 0.459 322 P HA -0.221 nan 4.420 nan 0.000 0.217 322 P C 1.560 178.988 177.300 0.212 0.000 1.162 322 P CA 1.176 64.359 63.100 0.138 0.000 0.901 322 P CB 0.057 31.852 31.700 0.159 0.000 0.793 323 I N -0.938 119.709 120.570 0.128 0.000 2.423 323 I HA -0.203 3.967 4.170 -0.000 0.000 0.254 323 I C 0.592 176.676 176.117 -0.055 0.000 1.151 323 I CA 1.654 62.998 61.300 0.073 0.000 1.421 323 I CB -0.119 37.896 38.000 0.024 0.000 1.079 323 I HN -0.125 nan 8.210 nan 0.000 0.431 324 D N 0.307 120.691 120.400 -0.027 0.000 2.336 324 D HA -0.024 4.616 4.640 -0.000 0.000 0.228 324 D C 1.672 177.922 176.300 -0.083 0.000 1.120 324 D CA 0.062 54.007 54.000 -0.093 0.000 0.839 324 D CB -0.122 40.669 40.800 -0.015 0.000 0.932 324 D HN 0.452 nan 8.370 nan 0.000 0.509 325 F N 1.001 120.975 119.950 0.040 0.000 2.184 325 F HA -0.076 4.451 4.527 -0.000 0.000 0.301 325 F C -1.097 174.734 175.800 0.052 0.000 1.076 325 F CA 0.584 58.617 58.000 0.055 0.000 1.295 325 F CB -2.060 36.978 39.000 0.063 0.000 1.026 325 F HN -0.031 nan 8.300 nan 0.000 0.494 326 P HA -0.160 nan 4.420 nan 0.000 0.219 326 P C 1.819 179.078 177.300 -0.069 0.000 1.146 326 P CA 2.118 65.092 63.100 -0.209 0.000 0.808 326 P CB -0.342 31.132 31.700 -0.378 0.000 0.779 327 I N -5.526 115.001 120.570 -0.072 0.000 3.783 327 I HA 0.260 4.429 4.170 -0.000 0.000 0.310 327 I C 1.864 177.962 176.117 -0.032 0.000 1.274 327 I CA 0.338 61.591 61.300 -0.079 0.000 1.294 327 I CB -0.570 37.379 38.000 -0.085 0.000 1.051 327 I HN -0.240 nan 8.210 nan 0.000 0.435 328 A N 2.759 125.645 122.820 0.111 0.000 1.927 328 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 328 A C 0.133 177.793 177.584 0.127 0.000 1.185 328 A CA 2.063 54.217 52.037 0.196 0.000 0.639 328 A CB -2.043 17.080 19.000 0.205 0.000 0.820 328 A HN 0.428 nan 8.150 nan 0.000 0.451 329 P HA -0.071 nan 4.420 nan 0.000 0.222 329 P C 1.521 178.829 177.300 0.014 0.000 1.147 329 P CA 0.995 64.137 63.100 0.070 0.000 0.790 329 P CB -0.137 31.607 31.700 0.073 0.000 0.780 330 V N -1.316 118.523 119.914 -0.125 0.000 2.261 330 V HA -0.277 3.842 4.120 -0.000 0.000 0.246 330 V C 2.126 178.097 176.094 -0.205 0.000 1.047 330 V CA 1.939 64.089 62.300 -0.251 0.000 1.015 330 V CB -1.520 29.999 31.823 -0.507 0.000 0.642 330 V HN 0.040 nan 8.190 nan 0.000 0.446 331 Y N 0.767 121.093 120.300 0.044 0.000 2.200 331 Y HA -0.078 4.472 4.550 -0.000 0.000 0.290 331 Y C 2.555 178.487 175.900 0.054 0.000 1.137 331 Y CA 0.962 59.087 58.100 0.041 0.000 1.163 331 Y CB -1.334 37.144 38.460 0.030 0.000 0.988 331 Y HN 0.173 nan 8.280 nan 0.000 0.518 332 A N 0.310 123.249 122.820 0.198 0.000 1.908 332 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 332 A C 2.493 180.154 177.584 0.127 0.000 1.181 332 A CA 2.099 54.225 52.037 0.148 0.000 0.627 332 A CB -1.271 17.811 19.000 0.136 0.000 0.818 332 A HN 0.408 nan 8.150 nan 0.000 0.445 333 A N -0.713 122.186 122.820 0.131 0.000 1.933 333 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 333 A C 2.434 180.096 177.584 0.130 0.000 1.175 333 A CA 2.017 54.148 52.037 0.157 0.000 0.628 333 A CB -0.801 18.365 19.000 0.278 0.000 0.814 333 A HN 0.457 nan 8.150 nan 0.000 0.444 334 S N -0.447 115.325 115.700 0.120 0.000 2.368 334 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 334 S C 2.013 176.660 174.600 0.077 0.000 1.030 334 S CA 1.729 59.991 58.200 0.103 0.000 0.999 334 S CB -0.401 62.869 63.200 0.117 0.000 0.844 334 S HN 0.575 nan 8.310 nan 0.000 0.459 335 M N 0.736 120.388 119.600 0.086 0.000 2.080 335 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 335 M C 2.146 178.457 176.300 0.018 0.000 1.068 335 M CA 1.347 56.679 55.300 0.054 0.000 1.109 335 M CB -0.671 31.969 32.600 0.066 0.000 1.342 335 M HN 0.158 nan 8.290 nan 0.000 0.405 336 V N 0.647 120.573 119.914 0.020 0.000 2.295 336 V HA -0.273 3.846 4.120 -0.000 0.000 0.246 336 V C 2.274 178.334 176.094 -0.056 0.000 1.049 336 V CA 1.703 63.990 62.300 -0.022 0.000 1.024 336 V CB -0.715 31.104 31.823 -0.007 0.000 0.648 336 V HN 0.461 nan 8.190 nan 0.000 0.447 337 L N -0.337 120.862 121.223 -0.039 0.000 1.994 337 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 337 L C 2.626 179.464 176.870 -0.054 0.000 1.071 337 L CA 2.075 56.877 54.840 -0.063 0.000 0.745 337 L CB -0.657 41.394 42.059 -0.013 0.000 0.892 337 L HN 0.292 nan 8.230 nan 0.000 0.431 338 K N 0.128 120.515 120.400 -0.021 0.000 2.032 338 K HA -0.273 4.046 4.320 -0.000 0.000 0.209 338 K C 1.849 178.427 176.600 -0.036 0.000 1.048 338 K CA 2.064 58.340 56.287 -0.019 0.000 0.927 338 K CB -0.131 32.371 32.500 0.002 0.000 0.712 338 K HN 0.178 nan 8.250 nan 0.000 0.441 339 D N -0.128 120.246 120.400 -0.044 0.000 2.116 339 D HA -0.147 4.492 4.640 -0.000 0.000 0.193 339 D C 1.507 177.762 176.300 -0.074 0.000 0.998 339 D CA 1.350 55.313 54.000 -0.061 0.000 0.836 339 D CB 0.129 40.882 40.800 -0.078 0.000 0.951 339 D HN 0.075 nan 8.370 nan 0.000 0.449 340 V N -0.705 119.154 119.914 -0.092 0.000 3.608 340 V HA 0.253 4.373 4.120 -0.000 0.000 0.269 340 V C 1.531 177.567 176.094 -0.097 0.000 1.245 340 V CA 0.586 62.823 62.300 -0.105 0.000 1.138 340 V CB -0.214 31.519 31.823 -0.150 0.000 0.841 340 V HN 0.475 nan 8.190 nan 0.000 0.451 341 G N 1.180 109.931 108.800 -0.081 0.000 2.272 341 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.280 341 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.280 341 G C -0.130 174.720 174.900 -0.084 0.000 1.067 341 G CA 0.482 45.543 45.100 -0.065 0.000 0.902 341 G HN 0.441 nan 8.290 nan 0.000 0.500 342 L N -1.497 119.654 121.223 -0.121 0.000 2.331 342 L HA 0.719 5.059 4.340 -0.000 0.000 0.268 342 L C 0.733 177.555 176.870 -0.079 0.000 1.015 342 L CA -1.107 53.647 54.840 -0.145 0.000 0.807 342 L CB 1.468 43.346 42.059 -0.300 0.000 1.293 342 L HN 0.062 nan 8.230 nan 0.000 0.451 343 K N -0.071 120.298 120.400 -0.052 0.000 2.221 343 K HA 0.264 4.583 4.320 -0.000 0.000 0.243 343 K C 0.554 177.182 176.600 0.046 0.000 0.968 343 K CA -0.820 55.471 56.287 0.006 0.000 0.846 343 K CB 2.048 34.559 32.500 0.019 0.000 1.141 343 K HN 0.449 nan 8.250 nan 0.000 0.434 344 K N 0.532 121.006 120.400 0.124 0.000 2.113 344 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 344 K C 0.767 177.529 176.600 0.270 0.000 1.047 344 K CA 1.826 58.285 56.287 0.287 0.000 0.928 344 K CB -0.031 32.639 32.500 0.283 0.000 0.716 344 K HN 0.440 nan 8.250 nan 0.000 0.446 345 E N 1.411 121.702 120.200 0.153 0.000 2.204 345 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 345 E C 1.422 178.087 176.600 0.108 0.000 0.990 345 E CA 1.339 57.815 56.400 0.127 0.000 0.821 345 E CB -0.102 29.646 29.700 0.080 0.000 0.750 345 E HN 0.391 nan 8.360 nan 0.000 0.477 346 D N -0.012 120.429 120.400 0.069 0.000 2.348 346 D HA -0.063 4.577 4.640 -0.000 0.000 0.216 346 D C 0.180 176.521 176.300 0.068 0.000 0.970 346 D CA 0.442 54.477 54.000 0.059 0.000 0.889 346 D CB 0.173 40.967 40.800 -0.011 0.000 0.912 346 D HN 0.147 nan 8.370 nan 0.000 0.524 347 I N 1.364 121.937 120.570 0.006 0.000 2.396 347 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 347 I C 1.430 177.538 176.117 -0.015 0.000 1.056 347 I CA -0.403 60.816 61.300 -0.135 0.000 1.365 347 I CB 0.820 38.445 38.000 -0.624 0.000 1.407 347 I HN -0.186 nan 8.210 nan 0.000 0.509 348 A N 7.067 129.879 122.820 -0.013 0.000 1.975 348 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 348 A C 1.008 178.620 177.584 0.047 0.000 1.170 348 A CA 0.728 52.783 52.037 0.031 0.000 0.656 348 A CB 0.242 19.247 19.000 0.008 0.000 0.821 348 A HN 0.708 nan 8.150 nan 0.000 0.449 349 M N -1.048 118.528 119.600 -0.039 0.000 2.322 349 M HA 0.458 4.938 4.480 -0.000 0.000 0.286 349 M C -2.440 173.823 176.300 -0.061 0.000 1.111 349 M CA -0.461 54.862 55.300 0.038 0.000 0.941 349 M CB 1.534 34.147 32.600 0.023 0.000 1.671 349 M HN 0.294 nan 8.290 nan 0.000 0.470 350 W N 3.118 124.452 121.300 0.058 0.000 2.529 350 W HA 0.472 5.131 4.660 -0.000 0.000 0.321 350 W C -0.284 176.279 176.519 0.072 0.000 1.047 350 W CA -0.319 57.061 57.345 0.058 0.000 1.216 350 W CB 1.173 30.660 29.460 0.045 0.000 1.357 350 W HN 0.361 nan 8.180 nan 0.000 0.489 351 E N 2.892 123.255 120.200 0.272 0.000 2.101 351 E HA 0.309 4.658 4.350 -0.000 0.000 0.260 351 E C -1.121 175.598 176.600 0.198 0.000 0.897 351 E CA -0.598 55.929 56.400 0.210 0.000 0.744 351 E CB 1.680 31.479 29.700 0.164 0.000 1.140 351 E HN 0.164 nan 8.360 nan 0.000 0.419 352 V N 3.763 123.783 119.914 0.177 0.000 2.311 352 V HA 0.133 4.253 4.120 -0.000 0.000 0.275 352 V C 0.403 176.532 176.094 0.059 0.000 1.022 352 V CA -1.055 61.317 62.300 0.120 0.000 0.830 352 V CB 1.010 32.882 31.823 0.081 0.000 1.012 352 V HN 0.491 nan 8.190 nan 0.000 0.452 353 N N 3.760 122.480 118.700 0.033 0.000 2.359 353 N HA -0.064 4.676 4.740 -0.000 0.000 0.261 353 N C 0.537 176.003 175.510 -0.074 0.000 1.267 353 N CA 0.453 53.478 53.050 -0.041 0.000 0.864 353 N CB 0.484 38.920 38.487 -0.085 0.000 1.063 353 N HN 0.685 nan 8.380 nan 0.000 0.474 354 E N 2.963 123.104 120.200 -0.099 0.000 2.346 354 E HA 0.072 4.422 4.350 -0.000 0.000 0.317 354 E C 0.720 177.209 176.600 -0.185 0.000 1.404 354 E CA -0.333 56.023 56.400 -0.073 0.000 1.534 354 E CB -0.090 29.626 29.700 0.027 0.000 1.309 354 E HN 0.670 nan 8.360 nan 0.000 0.499 355 A N 1.607 124.308 122.820 -0.199 0.000 1.883 355 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 355 A C 0.447 177.654 177.584 -0.629 0.000 1.186 355 A CA 1.222 53.063 52.037 -0.327 0.000 0.624 355 A CB 0.034 19.020 19.000 -0.024 0.000 0.822 355 A HN 0.351 nan 8.150 nan 0.000 0.444 356 F N -3.274 116.716 119.950 0.066 0.000 2.601 356 F HA 0.405 4.932 4.527 -0.000 0.000 0.309 356 F C 1.310 177.105 175.800 -0.009 0.000 1.089 356 F CA -0.423 57.618 58.000 0.067 0.000 0.940 356 F CB 1.597 40.642 39.000 0.076 0.000 1.273 356 F HN -0.112 nan 8.300 nan 0.000 0.450 357 S N 1.304 117.122 115.700 0.196 0.000 2.374 357 S HA -0.172 4.298 4.470 -0.000 0.000 0.227 357 S C 2.126 176.656 174.600 -0.117 0.000 1.037 357 S CA 1.167 59.381 58.200 0.023 0.000 1.024 357 S CB -0.250 63.088 63.200 0.230 0.000 0.861 357 S HN 0.659 nan 8.310 nan 0.000 0.456 358 L N 2.138 123.381 121.223 0.033 0.000 2.034 358 L HA -0.172 4.167 4.340 -0.000 0.000 0.217 358 L C 2.134 178.961 176.870 -0.072 0.000 1.077 358 L CA 2.044 56.869 54.840 -0.026 0.000 0.769 358 L CB -1.189 40.856 42.059 -0.024 0.000 0.890 358 L HN 0.228 nan 8.230 nan 0.000 0.435 359 V N -0.319 119.596 119.914 0.001 0.000 2.261 359 V HA -0.274 3.845 4.120 -0.000 0.000 0.246 359 V C 2.752 178.773 176.094 -0.121 0.000 1.047 359 V CA 1.690 63.980 62.300 -0.018 0.000 1.015 359 V CB -0.611 31.282 31.823 0.117 0.000 0.642 359 V HN 0.354 nan 8.190 nan 0.000 0.446 360 V N -0.071 119.705 119.914 -0.229 0.000 2.295 360 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 360 V C 2.337 178.238 176.094 -0.322 0.000 1.049 360 V CA 2.022 64.124 62.300 -0.331 0.000 1.024 360 V CB -0.713 30.741 31.823 -0.614 0.000 0.648 360 V HN 0.436 nan 8.190 nan 0.000 0.447 361 L N 0.390 121.399 121.223 -0.357 0.000 2.042 361 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 361 L C 2.779 179.552 176.870 -0.161 0.000 1.076 361 L CA 1.608 56.317 54.840 -0.219 0.000 0.749 361 L CB -0.905 41.059 42.059 -0.159 0.000 0.893 361 L HN 0.364 nan 8.230 nan 0.000 0.432 362 A N -0.005 122.723 122.820 -0.152 0.000 1.940 362 A HA -0.222 4.097 4.320 -0.000 0.000 0.219 362 A C 2.120 179.613 177.584 -0.152 0.000 1.176 362 A CA 1.940 53.896 52.037 -0.136 0.000 0.631 362 A CB -0.609 18.313 19.000 -0.130 0.000 0.814 362 A HN 0.505 nan 8.150 nan 0.000 0.446 363 N N -0.333 118.269 118.700 -0.164 0.000 2.173 363 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 363 N C 1.792 177.166 175.510 -0.227 0.000 1.025 363 N CA 1.411 54.350 53.050 -0.185 0.000 0.852 363 N CB -0.227 38.166 38.487 -0.157 0.000 0.998 363 N HN 0.494 nan 8.380 nan 0.000 0.427 364 I N 1.770 122.207 120.570 -0.222 0.000 2.151 364 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 364 I C 2.612 178.619 176.117 -0.184 0.000 1.080 364 I CA 1.328 62.492 61.300 -0.226 0.000 1.339 364 I CB -0.227 37.675 38.000 -0.164 0.000 1.039 364 I HN 0.142 nan 8.210 nan 0.000 0.409 365 K N 0.984 121.296 120.400 -0.146 0.000 1.985 365 K HA -0.183 4.136 4.320 -0.000 0.000 0.210 365 K C 2.252 178.781 176.600 -0.118 0.000 1.047 365 K CA 1.686 57.904 56.287 -0.115 0.000 0.932 365 K CB -0.093 32.350 32.500 -0.096 0.000 0.716 365 K HN 0.158 nan 8.250 nan 0.000 0.439 366 M N 0.463 119.981 119.600 -0.136 0.000 2.229 366 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 366 M C 1.951 178.168 176.300 -0.139 0.000 1.063 366 M CA 1.327 56.547 55.300 -0.134 0.000 1.114 366 M CB 0.004 32.501 32.600 -0.171 0.000 1.387 366 M HN 0.181 nan 8.290 nan 0.000 0.420 367 L N -0.549 120.566 121.223 -0.179 0.000 2.375 367 L HA 0.005 4.345 4.340 -0.000 0.000 0.215 367 L C 0.197 176.971 176.870 -0.159 0.000 1.108 367 L CA 0.210 54.938 54.840 -0.187 0.000 0.830 367 L CB -0.111 41.763 42.059 -0.308 0.000 0.959 367 L HN 0.294 nan 8.230 nan 0.000 0.457 368 E N 1.351 121.458 120.200 -0.156 0.000 2.246 368 E HA -0.218 4.132 4.350 -0.000 0.000 0.211 368 E C -0.321 176.198 176.600 -0.134 0.000 1.278 368 E CA 0.325 56.654 56.400 -0.118 0.000 0.694 368 E CB -1.724 27.933 29.700 -0.071 0.000 1.166 368 E HN 0.583 nan 8.360 nan 0.000 0.370 369 I N -2.837 117.601 120.570 -0.221 0.000 2.947 369 I HA 0.511 4.680 4.170 -0.000 0.000 0.314 369 I C 0.373 176.385 176.117 -0.175 0.000 1.028 369 I CA -1.119 60.031 61.300 -0.250 0.000 1.077 369 I CB 1.270 38.906 38.000 -0.607 0.000 1.274 369 I HN -0.203 nan 8.210 nan 0.000 0.485 370 D N 4.205 124.543 120.400 -0.103 0.000 2.336 370 D HA 0.240 4.880 4.640 -0.000 0.000 0.249 370 D C -1.560 174.718 176.300 -0.037 0.000 1.213 370 D CA -2.501 51.477 54.000 -0.036 0.000 0.870 370 D CB 1.206 42.020 40.800 0.024 0.000 1.076 370 D HN 0.291 nan 8.370 nan 0.000 0.483 371 P HA -0.183 nan 4.420 nan 0.000 0.220 371 P C 0.928 178.255 177.300 0.045 0.000 1.144 371 P CA 0.908 64.013 63.100 0.008 0.000 0.800 371 P CB 0.374 32.091 31.700 0.028 0.000 0.772 372 Q N -0.120 119.706 119.800 0.043 0.000 2.369 372 Q HA -0.040 4.300 4.340 -0.000 0.000 0.206 372 Q C 1.487 177.536 176.000 0.082 0.000 0.963 372 Q CA 1.046 56.882 55.803 0.054 0.000 0.894 372 Q CB -0.238 28.526 28.738 0.043 0.000 0.965 372 Q HN 0.447 nan 8.270 nan 0.000 0.475 373 K N -0.005 120.462 120.400 0.111 0.000 2.372 373 K HA 0.197 4.516 4.320 -0.000 0.000 0.200 373 K C -0.204 176.549 176.600 0.256 0.000 1.022 373 K CA -0.056 56.346 56.287 0.191 0.000 1.125 373 K CB 1.240 33.901 32.500 0.268 0.000 0.855 373 K HN -0.121 nan 8.250 nan 0.000 0.524 374 V N 2.686 122.702 119.914 0.171 0.000 2.394 374 V HA 0.109 4.229 4.120 -0.000 0.000 0.282 374 V C -0.076 176.128 176.094 0.183 0.000 1.031 374 V CA -0.984 61.428 62.300 0.187 0.000 0.881 374 V CB 1.158 33.034 31.823 0.088 0.000 0.982 374 V HN 0.429 nan 8.190 nan 0.000 0.451 375 N N 2.643 121.463 118.700 0.199 0.000 2.714 375 N HA -0.229 4.511 4.740 -0.000 0.000 0.252 375 N C 0.949 176.523 175.510 0.107 0.000 1.014 375 N CA 1.198 54.343 53.050 0.158 0.000 0.735 375 N CB -0.821 37.780 38.487 0.190 0.000 0.924 375 N HN 0.924 nan 8.380 nan 0.000 0.540 376 I N -3.777 116.865 120.570 0.121 0.000 2.454 376 I HA -0.120 4.050 4.170 -0.000 0.000 0.254 376 I C 0.681 176.829 176.117 0.052 0.000 1.156 376 I CA 1.452 62.802 61.300 0.084 0.000 1.433 376 I CB -0.033 38.021 38.000 0.090 0.000 1.082 376 I HN 0.003 nan 8.210 nan 0.000 0.432 377 N N 1.685 120.418 118.700 0.055 0.000 2.401 377 N HA 0.352 5.092 4.740 -0.000 0.000 0.264 377 N C 0.405 175.916 175.510 0.001 0.000 1.238 377 N CA 0.766 53.819 53.050 0.005 0.000 0.889 377 N CB 1.031 39.506 38.487 -0.020 0.000 1.196 377 N HN 0.638 nan 8.380 nan 0.000 0.511 378 G N -0.859 107.937 108.800 -0.008 0.000 2.685 378 G HA2 0.208 4.168 3.960 -0.000 0.000 0.387 378 G HA3 0.208 4.168 3.960 -0.000 0.000 0.387 378 G C -0.271 174.608 174.900 -0.035 0.000 1.324 378 G CA -0.550 44.533 45.100 -0.029 0.000 0.878 378 G HN 0.579 nan 8.290 nan 0.000 0.527 379 G N -2.928 105.844 108.800 -0.048 0.000 2.561 379 G HA2 0.769 4.729 3.960 -0.000 0.000 0.310 379 G HA3 0.769 4.729 3.960 -0.000 0.000 0.310 379 G C 0.950 175.810 174.900 -0.067 0.000 1.292 379 G CA 1.139 46.217 45.100 -0.036 0.000 0.811 379 G HN 2.136 nan 8.290 nan 0.000 0.482 380 A N -0.816 121.954 122.820 -0.084 0.000 2.024 380 A HA 0.087 4.407 4.320 -0.000 0.000 0.220 380 A C 2.461 179.990 177.584 -0.092 0.000 1.164 380 A CA 2.498 54.466 52.037 -0.115 0.000 0.643 380 A CB -0.589 18.235 19.000 -0.293 0.000 0.806 380 A HN 1.026 nan 8.150 nan 0.000 0.451 381 V N 0.483 120.348 119.914 -0.081 0.000 2.490 381 V HA -0.212 3.908 4.120 -0.000 0.000 0.250 381 V C 2.702 178.636 176.094 -0.266 0.000 1.061 381 V CA 2.353 64.606 62.300 -0.077 0.000 1.064 381 V CB -0.430 31.417 31.823 0.041 0.000 0.670 381 V HN 0.841 nan 8.190 nan 0.000 0.461 382 S N -1.847 113.612 115.700 -0.403 0.000 2.564 382 S HA 0.214 4.684 4.470 -0.000 0.000 0.231 382 S C 1.584 176.091 174.600 -0.155 0.000 1.067 382 S CA -0.010 57.782 58.200 -0.680 0.000 0.908 382 S CB -0.021 62.639 63.200 -0.901 0.000 0.809 382 S HN 0.423 nan 8.310 nan 0.000 0.491 383 L N 1.640 122.822 121.223 -0.068 0.000 2.446 383 L HA 0.396 4.736 4.340 -0.000 0.000 0.219 383 L C 1.334 178.227 176.870 0.038 0.000 1.116 383 L CA 0.468 55.326 54.840 0.029 0.000 0.844 383 L CB -0.666 41.389 42.059 -0.006 0.000 0.970 383 L HN 0.649 nan 8.230 nan 0.000 0.457 384 G N -0.141 108.671 108.800 0.021 0.000 2.707 384 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.686 384 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.686 384 G C -0.943 174.018 174.900 0.103 0.000 1.315 384 G CA -0.640 44.498 45.100 0.063 0.000 0.832 384 G HN 0.299 nan 8.290 nan 0.000 0.573 385 H N 0.921 119.978 119.070 -0.022 0.000 2.490 385 H HA 0.534 5.090 4.556 -0.000 0.000 0.230 385 H C -2.588 172.721 175.328 -0.031 0.000 1.417 385 H CA -2.067 53.957 56.048 -0.040 0.000 1.449 385 H CB 0.990 30.703 29.762 -0.082 0.000 1.649 385 H HN 0.370 nan 8.280 nan 0.000 0.519 386 P HA 0.074 nan 4.420 nan 0.000 0.273 386 P C 1.678 178.925 177.300 -0.087 0.000 1.319 386 P CA -0.153 62.929 63.100 -0.029 0.000 0.885 386 P CB 0.029 31.742 31.700 0.022 0.000 1.015 387 I N 1.024 121.430 120.570 -0.274 0.000 2.194 387 I HA -0.184 3.986 4.170 -0.000 0.000 0.246 387 I C 1.894 177.947 176.117 -0.107 0.000 1.093 387 I CA 2.016 63.084 61.300 -0.386 0.000 1.355 387 I CB -1.344 36.380 38.000 -0.459 0.000 1.046 387 I HN 0.240 nan 8.210 nan 0.000 0.413 388 G N 1.692 110.449 108.800 -0.071 0.000 2.534 388 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 388 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 388 G C 1.566 176.473 174.900 0.011 0.000 1.128 388 G CA 0.956 46.041 45.100 -0.025 0.000 0.784 388 G HN 0.652 nan 8.290 nan 0.000 0.542 389 M N -1.076 118.541 119.600 0.028 0.000 2.534 389 M HA 0.416 4.895 4.480 -0.000 0.000 0.263 389 M C 2.134 178.476 176.300 0.070 0.000 1.152 389 M CA 1.276 56.604 55.300 0.046 0.000 1.145 389 M CB 0.100 32.726 32.600 0.043 0.000 1.333 389 M HN -0.109 nan 8.290 nan 0.000 0.477 390 S N 1.543 117.307 115.700 0.107 0.000 2.370 390 S HA -0.053 4.417 4.470 -0.000 0.000 0.226 390 S C 2.061 176.707 174.600 0.078 0.000 1.033 390 S CA 1.673 59.941 58.200 0.114 0.000 1.011 390 S CB -1.291 62.025 63.200 0.194 0.000 0.852 390 S HN 0.786 nan 8.310 nan 0.000 0.457 391 G N 1.082 109.929 108.800 0.078 0.000 2.442 391 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.219 391 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.219 391 G C 1.473 176.404 174.900 0.053 0.000 1.141 391 G CA 1.006 46.141 45.100 0.059 0.000 0.763 391 G HN 0.598 nan 8.290 nan 0.000 0.554 392 A N 0.437 123.289 122.820 0.052 0.000 1.898 392 A HA 0.150 4.470 4.320 -0.000 0.000 0.214 392 A C 2.279 179.905 177.584 0.071 0.000 1.183 392 A CA 1.525 53.593 52.037 0.052 0.000 0.622 392 A CB -0.423 18.605 19.000 0.046 0.000 0.824 392 A HN 0.332 nan 8.150 nan 0.000 0.444 393 R N 0.597 121.142 120.500 0.076 0.000 2.096 393 R HA -0.188 4.152 4.340 -0.000 0.000 0.240 393 R C 2.089 178.463 176.300 0.123 0.000 1.139 393 R CA 2.248 58.404 56.100 0.093 0.000 0.952 393 R CB -0.640 29.701 30.300 0.069 0.000 0.854 393 R HN 0.698 nan 8.270 nan 0.000 0.436 394 I N -1.982 118.650 120.570 0.103 0.000 2.493 394 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 394 I C 1.799 177.997 176.117 0.135 0.000 1.160 394 I CA 0.912 62.288 61.300 0.127 0.000 1.445 394 I CB -0.207 37.849 38.000 0.092 0.000 1.086 394 I HN -0.064 nan 8.210 nan 0.000 0.433 395 V N 2.337 122.309 119.914 0.096 0.000 2.379 395 V HA -0.078 4.041 4.120 -0.000 0.000 0.245 395 V C 2.878 179.016 176.094 0.073 0.000 1.044 395 V CA 2.030 64.372 62.300 0.070 0.000 1.036 395 V CB -1.361 30.488 31.823 0.043 0.000 0.664 395 V HN 0.622 nan 8.190 nan 0.000 0.453 396 G N -0.860 108.002 108.800 0.104 0.000 2.442 396 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 396 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 396 G C 1.460 176.495 174.900 0.225 0.000 1.141 396 G CA 1.390 46.574 45.100 0.139 0.000 0.763 396 G HN 0.635 nan 8.290 nan 0.000 0.554 397 H N -0.159 118.999 119.070 0.147 0.000 2.326 397 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 397 H C 2.462 177.848 175.328 0.097 0.000 1.081 397 H CA 1.013 57.156 56.048 0.158 0.000 1.334 397 H CB -0.258 29.587 29.762 0.139 0.000 1.385 397 H HN 0.161 nan 8.280 nan 0.000 0.504 398 L N 0.398 121.629 121.223 0.014 0.000 1.997 398 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 398 L C 2.461 179.258 176.870 -0.123 0.000 1.074 398 L CA 2.374 57.174 54.840 -0.066 0.000 0.763 398 L CB -1.400 40.657 42.059 -0.003 0.000 0.890 398 L HN 0.394 nan 8.230 nan 0.000 0.434 399 T N -1.562 112.926 114.554 -0.111 0.000 2.685 399 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 399 T C 1.732 176.254 174.700 -0.295 0.000 1.034 399 T CA 1.810 63.785 62.100 -0.208 0.000 1.149 399 T CB -0.355 68.356 68.868 -0.261 0.000 0.860 399 T HN 0.450 nan 8.240 nan 0.000 0.449 400 H N -0.115 118.864 119.070 -0.152 0.000 2.465 400 H HA 0.358 4.914 4.556 -0.000 0.000 0.289 400 H C 2.508 177.695 175.328 -0.234 0.000 1.022 400 H CA 1.085 57.030 56.048 -0.172 0.000 1.340 400 H CB -0.124 29.546 29.762 -0.153 0.000 1.437 400 H HN 0.416 nan 8.280 nan 0.000 0.539 401 A N 1.199 123.876 122.820 -0.238 0.000 2.030 401 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 401 A C 1.329 178.814 177.584 -0.165 0.000 1.164 401 A CA -0.140 51.733 52.037 -0.274 0.000 0.697 401 A CB -0.383 18.330 19.000 -0.480 0.000 0.827 401 A HN 0.109 nan 8.150 nan 0.000 0.457 402 L N 1.099 122.234 121.223 -0.145 0.000 2.483 402 L HA 0.069 4.408 4.340 -0.000 0.000 0.276 402 L C 0.156 176.966 176.870 -0.100 0.000 1.213 402 L CA 0.091 54.865 54.840 -0.109 0.000 0.843 402 L CB 0.493 42.488 42.059 -0.108 0.000 1.107 402 L HN 0.272 nan 8.230 nan 0.000 0.487 403 K N 2.379 122.727 120.400 -0.086 0.000 2.098 403 K HA 0.217 4.537 4.320 -0.000 0.000 0.261 403 K C -0.382 176.162 176.600 -0.093 0.000 0.987 403 K CA -0.831 55.408 56.287 -0.080 0.000 0.916 403 K CB 0.950 33.411 32.500 -0.063 0.000 1.039 403 K HN 0.477 nan 8.250 nan 0.000 0.455 404 Q N 0.363 120.111 119.800 -0.087 0.000 2.368 404 Q HA -0.153 4.186 4.340 -0.000 0.000 0.331 404 Q C 0.765 176.695 176.000 -0.118 0.000 1.086 404 Q CA 1.701 57.446 55.803 -0.097 0.000 1.031 404 Q CB -0.016 28.676 28.738 -0.077 0.000 1.125 404 Q HN 0.879 nan 8.270 nan 0.000 0.389 405 G N 2.977 111.683 108.800 -0.157 0.000 2.304 405 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 405 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 405 G C -0.195 174.522 174.900 -0.305 0.000 1.014 405 G CA 0.373 45.345 45.100 -0.212 0.000 0.619 405 G HN 0.675 nan 8.290 nan 0.000 0.525 406 E N 0.005 120.070 120.200 -0.225 0.000 2.373 406 E HA 0.414 4.764 4.350 -0.000 0.000 0.267 406 E C -0.542 175.901 176.600 -0.262 0.000 1.032 406 E CA -0.359 55.920 56.400 -0.201 0.000 0.889 406 E CB 0.444 30.082 29.700 -0.104 0.000 0.984 406 E HN 0.347 nan 8.360 nan 0.000 0.425 407 Y N 0.318 120.563 120.300 -0.092 0.000 2.313 407 Y HA 0.414 4.963 4.550 -0.000 0.000 0.332 407 Y C 0.822 176.618 175.900 -0.172 0.000 1.071 407 Y CA -0.311 57.714 58.100 -0.124 0.000 1.169 407 Y CB 1.759 40.138 38.460 -0.135 0.000 1.192 407 Y HN 0.481 nan 8.280 nan 0.000 0.487 408 G N 3.724 112.526 108.800 0.003 0.000 2.513 408 G HA2 0.587 4.546 3.960 -0.000 0.000 0.317 408 G HA3 0.587 4.546 3.960 -0.000 0.000 0.317 408 G C -1.987 172.821 174.900 -0.154 0.000 1.277 408 G CA -0.721 44.316 45.100 -0.106 0.000 0.955 408 G HN 0.633 nan 8.290 nan 0.000 0.484 409 L N 2.289 123.327 121.223 -0.307 0.000 2.349 409 L HA 0.785 5.125 4.340 -0.000 0.000 0.278 409 L C 0.166 176.986 176.870 -0.084 0.000 0.996 409 L CA -0.760 53.910 54.840 -0.285 0.000 0.825 409 L CB 1.560 43.236 42.059 -0.638 0.000 1.243 409 L HN 0.622 nan 8.230 nan 0.000 0.412 410 A N 3.403 126.231 122.820 0.013 0.000 2.317 410 A HA 0.814 5.134 4.320 -0.000 0.000 0.327 410 A C -0.519 177.129 177.584 0.106 0.000 1.178 410 A CA -0.273 51.814 52.037 0.083 0.000 0.817 410 A CB 1.335 20.379 19.000 0.074 0.000 1.189 410 A HN 0.697 nan 8.150 nan 0.000 0.489 411 S N 1.403 117.182 115.700 0.133 0.000 2.569 411 S HA 0.813 5.283 4.470 -0.000 0.000 0.280 411 S C -0.860 173.799 174.600 0.099 0.000 1.111 411 S CA -0.564 57.711 58.200 0.125 0.000 0.887 411 S CB 1.409 64.702 63.200 0.155 0.000 1.095 411 S HN 1.321 nan 8.310 nan 0.000 0.476 412 I N 1.864 122.489 120.570 0.092 0.000 2.649 412 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 412 I C -0.406 175.768 176.117 0.096 0.000 1.222 412 I CA -0.713 60.634 61.300 0.078 0.000 1.046 412 I CB 1.198 39.236 38.000 0.063 0.000 1.272 412 I HN 1.230 nan 8.210 nan 0.000 0.425 413 C N 5.545 124.917 119.300 0.121 0.000 2.595 413 C HA 0.666 5.125 4.460 -0.000 0.000 0.384 413 C C -0.183 174.854 174.990 0.077 0.000 1.289 413 C CA -0.325 58.794 59.018 0.167 0.000 2.372 413 C CB 0.388 28.338 27.740 0.350 0.000 2.593 413 C HN 0.876 nan 8.230 nan 0.000 0.639 414 N N 0.530 119.249 118.700 0.032 0.000 2.329 414 N HA 0.427 5.167 4.740 -0.000 0.000 0.282 414 N C -0.337 175.062 175.510 -0.185 0.000 1.198 414 N CA -0.273 52.727 53.050 -0.083 0.000 0.790 414 N CB 1.766 40.239 38.487 -0.023 0.000 1.579 414 N HN 1.077 nan 8.380 nan 0.000 0.475 415 G N -1.049 107.582 108.800 -0.282 0.000 2.414 415 G HA2 0.358 4.318 3.960 -0.000 0.000 0.236 415 G HA3 0.358 4.318 3.960 -0.000 0.000 0.236 415 G C 1.144 176.014 174.900 -0.050 0.000 1.293 415 G CA 0.488 45.428 45.100 -0.267 0.000 0.869 415 G HN 1.383 nan 8.290 nan 0.000 0.556 416 G N 0.066 108.906 108.800 0.066 0.000 2.213 416 G HA2 0.235 4.195 3.960 -0.000 0.000 0.226 416 G HA3 0.235 4.195 3.960 -0.000 0.000 0.226 416 G C 1.286 176.276 174.900 0.150 0.000 0.992 416 G CA 0.861 46.069 45.100 0.179 0.000 0.632 416 G HN 2.652 nan 8.290 nan 0.000 0.511 417 G N -1.104 107.804 108.800 0.181 0.000 2.138 417 G HA2 0.364 4.324 3.960 -0.000 0.000 0.193 417 G HA3 0.364 4.324 3.960 -0.000 0.000 0.193 417 G C 1.025 176.024 174.900 0.164 0.000 0.998 417 G CA 0.838 46.059 45.100 0.203 0.000 0.668 417 G HN 2.002 nan 8.290 nan 0.000 0.516 418 G N -0.860 108.023 108.800 0.139 0.000 2.491 418 G HA2 1.029 4.989 3.960 -0.000 0.000 0.327 418 G HA3 1.029 4.989 3.960 -0.000 0.000 0.327 418 G C -0.200 174.779 174.900 0.131 0.000 1.189 418 G CA 0.052 45.220 45.100 0.113 0.000 0.956 418 G HN 1.662 nan 8.290 nan 0.000 0.491 419 A N -0.482 122.409 122.820 0.118 0.000 2.606 419 A HA 0.813 5.133 4.320 -0.000 0.000 0.293 419 A C -0.483 177.163 177.584 0.102 0.000 1.082 419 A CA -0.500 51.607 52.037 0.115 0.000 0.685 419 A CB 1.482 20.562 19.000 0.134 0.000 1.284 419 A HN 0.944 nan 8.150 nan 0.000 0.408 420 S N -0.586 115.170 115.700 0.094 0.000 2.568 420 S HA 0.908 5.378 4.470 -0.000 0.000 0.302 420 S C -0.286 174.378 174.600 0.106 0.000 1.082 420 S CA 0.059 58.316 58.200 0.095 0.000 1.009 420 S CB 1.779 65.020 63.200 0.069 0.000 1.069 420 S HN 1.905 nan 8.310 nan 0.000 0.500 421 A N 2.029 124.923 122.820 0.124 0.000 2.515 421 A HA 0.848 5.168 4.320 -0.000 0.000 0.298 421 A C -1.151 176.522 177.584 0.148 0.000 1.059 421 A CA -0.625 51.486 52.037 0.123 0.000 0.698 421 A CB 1.555 20.627 19.000 0.120 0.000 1.289 421 A HN 0.815 nan 8.150 nan 0.000 0.404 422 M N 2.232 121.903 119.600 0.119 0.000 2.326 422 M HA 0.664 5.143 4.480 -0.000 0.000 0.292 422 M C -2.234 174.107 176.300 0.068 0.000 1.081 422 M CA -0.863 54.525 55.300 0.146 0.000 0.919 422 M CB 1.708 34.384 32.600 0.128 0.000 1.634 422 M HN 0.717 nan 8.290 nan 0.000 0.451 423 L N 7.167 128.426 121.223 0.061 0.000 2.272 423 L HA 0.713 5.053 4.340 -0.000 0.000 0.289 423 L C -1.029 175.878 176.870 0.063 0.000 1.032 423 L CA -0.352 54.492 54.840 0.006 0.000 0.810 423 L CB 1.175 43.200 42.059 -0.058 0.000 1.205 423 L HN 0.740 nan 8.230 nan 0.000 0.422 424 I N 1.318 121.925 120.570 0.061 0.000 2.957 424 I HA 0.654 4.824 4.170 -0.000 0.000 0.310 424 I C -1.027 175.143 176.117 0.089 0.000 1.063 424 I CA -0.787 60.553 61.300 0.067 0.000 1.033 424 I CB 2.008 40.020 38.000 0.021 0.000 1.230 424 I HN 0.713 nan 8.210 nan 0.000 0.447 425 Q N 3.081 122.890 119.800 0.016 0.000 2.304 425 Q HA 0.341 4.681 4.340 -0.000 0.000 0.270 425 Q C -1.226 174.690 176.000 -0.140 0.000 1.035 425 Q CA -0.909 54.814 55.803 -0.133 0.000 0.781 425 Q CB 1.930 30.506 28.738 -0.270 0.000 1.261 425 Q HN 0.558 nan 8.270 nan 0.000 0.444 426 K N 3.022 123.324 120.400 -0.164 0.000 2.401 426 K HA 0.103 4.423 4.320 -0.000 0.000 0.278 426 K C -0.301 176.218 176.600 -0.134 0.000 1.018 426 K CA -0.009 56.196 56.287 -0.137 0.000 0.981 426 K CB 0.453 32.873 32.500 -0.133 0.000 0.933 426 K HN 0.485 nan 8.250 nan 0.000 0.477 427 L N 0.000 121.159 121.223 -0.106 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.786 54.840 -0.090 0.000 0.813 427 L CB 0.000 42.016 42.059 -0.072 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502