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 2iby_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 58.196 58.200 -0.007 0.000 1.107 35 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 36 K N 3.178 123.571 120.400 -0.012 0.000 2.274 36 K HA 0.693 5.013 4.320 -0.000 0.000 0.262 36 K C -2.966 173.624 176.600 -0.016 0.000 0.961 36 K CA -1.866 54.411 56.287 -0.016 0.000 0.833 36 K CB 1.063 33.550 32.500 -0.021 0.000 1.102 36 K HN 0.165 nan 8.250 nan 0.000 0.436 37 P HA -0.043 nan 4.420 nan 0.000 0.265 37 P C -0.995 176.293 177.300 -0.020 0.000 1.187 37 P CA -0.069 63.022 63.100 -0.016 0.000 0.766 37 P CB 0.512 32.201 31.700 -0.018 0.000 0.820 38 T N 1.170 115.714 114.554 -0.017 0.000 2.753 38 T HA 0.606 4.956 4.350 -0.000 0.000 0.297 38 T C -0.236 174.451 174.700 -0.021 0.000 0.981 38 T CA -0.737 61.353 62.100 -0.018 0.000 0.956 38 T CB -0.144 68.716 68.868 -0.013 0.000 0.936 38 T HN 0.145 nan 8.240 nan 0.000 0.463 39 L N 2.556 123.765 121.223 -0.024 0.000 2.322 39 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 39 L C 0.568 177.425 176.870 -0.021 0.000 1.012 39 L CA -1.580 53.244 54.840 -0.027 0.000 0.815 39 L CB 1.515 43.557 42.059 -0.028 0.000 1.295 39 L HN 0.430 nan 8.230 nan 0.000 0.438 40 K N 1.552 121.939 120.400 -0.022 0.000 2.382 40 K HA 0.059 4.379 4.320 -0.000 0.000 0.275 40 K C -0.253 176.344 176.600 -0.006 0.000 1.009 40 K CA 0.003 56.281 56.287 -0.014 0.000 0.970 40 K CB 0.848 33.338 32.500 -0.016 0.000 0.934 40 K HN 0.549 nan 8.250 nan 0.000 0.479 41 E N 1.839 122.036 120.200 -0.004 0.000 2.316 41 E HA 0.116 4.466 4.350 -0.000 0.000 0.275 41 E C -1.000 175.604 176.600 0.006 0.000 1.029 41 E CA -0.494 55.907 56.400 0.001 0.000 0.871 41 E CB 0.796 30.493 29.700 -0.004 0.000 1.022 41 E HN 0.131 nan 8.360 nan 0.000 0.418 42 V N 5.964 125.890 119.914 0.020 0.000 2.398 42 V HA 0.323 4.443 4.120 -0.000 0.000 0.286 42 V C -0.061 176.044 176.094 0.018 0.000 1.026 42 V CA -0.673 61.642 62.300 0.026 0.000 0.868 42 V CB 1.102 32.962 31.823 0.061 0.000 0.982 42 V HN 0.577 nan 8.190 nan 0.000 0.443 43 V N 3.209 123.125 119.914 0.003 0.000 2.769 43 V HA 0.681 4.801 4.120 -0.000 0.000 0.312 43 V C -0.477 175.608 176.094 -0.016 0.000 1.061 43 V CA -0.911 61.383 62.300 -0.010 0.000 0.931 43 V CB 2.008 33.820 31.823 -0.019 0.000 1.010 43 V HN 0.644 nan 8.190 nan 0.000 0.433 44 I N 3.387 123.940 120.570 -0.028 0.000 2.325 44 I HA 0.320 4.490 4.170 -0.000 0.000 0.291 44 I C 0.780 176.866 176.117 -0.051 0.000 1.019 44 I CA -0.290 60.987 61.300 -0.039 0.000 1.302 44 I CB 1.769 39.738 38.000 -0.052 0.000 1.401 44 I HN 0.513 nan 8.210 nan 0.000 0.485 45 V N 3.834 123.725 119.914 -0.039 0.000 3.263 45 V HA 0.076 4.196 4.120 -0.000 0.000 0.248 45 V C 0.609 176.684 176.094 -0.033 0.000 1.145 45 V CA 0.642 62.920 62.300 -0.035 0.000 1.107 45 V CB 0.125 31.935 31.823 -0.022 0.000 0.797 45 V HN 0.872 nan 8.190 nan 0.000 0.467 46 S N -0.574 115.111 115.700 -0.025 0.000 2.547 46 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 46 S C -0.990 173.622 174.600 0.021 0.000 1.150 46 S CA -0.070 58.133 58.200 0.004 0.000 0.850 46 S CB 2.325 65.547 63.200 0.036 0.000 1.118 46 S HN 0.721 nan 8.310 nan 0.000 0.461 47 A N 1.666 124.546 122.820 0.100 0.000 2.476 47 A HA 0.814 5.134 4.320 -0.000 0.000 0.280 47 A C -0.273 177.473 177.584 0.269 0.000 1.081 47 A CA -0.344 51.788 52.037 0.159 0.000 0.753 47 A CB 0.885 19.953 19.000 0.113 0.000 1.248 47 A HN 1.717 nan 8.150 nan 0.000 0.424 48 T N -0.031 114.612 114.554 0.148 0.000 2.900 48 T HA 0.870 5.220 4.350 -0.000 0.000 0.295 48 T C -0.442 174.308 174.700 0.084 0.000 1.044 48 T CA -0.864 61.301 62.100 0.108 0.000 0.995 48 T CB 1.709 70.625 68.868 0.079 0.000 1.072 48 T HN 1.153 nan 8.240 nan 0.000 0.473 49 R N -0.185 120.358 120.500 0.072 0.000 2.808 49 R HA 0.737 5.077 4.340 -0.000 0.000 0.272 49 R C -0.273 176.063 176.300 0.061 0.000 0.995 49 R CA -0.961 55.177 56.100 0.063 0.000 0.917 49 R CB 0.910 31.248 30.300 0.063 0.000 1.217 49 R HN 0.774 nan 8.270 nan 0.000 0.471 50 T N -0.718 113.868 114.554 0.054 0.000 2.813 50 T HA 0.348 4.697 4.350 -0.000 0.000 0.297 50 T C -2.091 172.647 174.700 0.064 0.000 1.036 50 T CA -1.350 60.782 62.100 0.054 0.000 1.044 50 T CB 0.623 69.515 68.868 0.040 0.000 0.993 50 T HN 0.414 nan 8.240 nan 0.000 0.535 51 P HA 0.336 nan 4.420 nan 0.000 0.272 51 P C -0.466 176.858 177.300 0.040 0.000 1.240 51 P CA -0.511 62.630 63.100 0.069 0.000 0.791 51 P CB 0.250 31.968 31.700 0.030 0.000 0.978 52 I N 0.754 121.345 120.570 0.036 0.000 2.325 52 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 52 I C 1.187 177.318 176.117 0.024 0.000 1.019 52 I CA 0.008 61.328 61.300 0.034 0.000 1.302 52 I CB 0.731 38.755 38.000 0.041 0.000 1.401 52 I HN 0.311 nan 8.210 nan 0.000 0.485 53 G N 3.984 112.800 108.800 0.026 0.000 2.425 53 G HA2 0.442 4.402 3.960 -0.000 0.000 0.302 53 G HA3 0.442 4.402 3.960 -0.000 0.000 0.302 53 G C -0.386 174.544 174.900 0.049 0.000 1.159 53 G CA -0.328 44.785 45.100 0.021 0.000 0.865 53 G HN 0.553 nan 8.290 nan 0.000 0.515 54 S N -0.328 115.400 115.700 0.047 0.000 2.614 54 S HA 0.303 4.773 4.470 -0.000 0.000 0.265 54 S C -0.154 174.529 174.600 0.138 0.000 1.303 54 S CA -0.408 57.847 58.200 0.092 0.000 1.000 54 S CB 0.749 63.990 63.200 0.069 0.000 0.935 54 S HN 0.428 nan 8.310 nan 0.000 0.551 55 F N 2.445 122.400 119.950 0.009 0.000 2.590 55 F HA 0.116 4.643 4.527 -0.000 0.000 0.389 55 F C 1.035 176.837 175.800 0.004 0.000 1.049 55 F CA -0.231 57.773 58.000 0.006 0.000 1.199 55 F CB -0.831 38.178 39.000 0.015 0.000 1.058 55 F HN 0.501 nan 8.300 nan 0.000 0.556 56 L N 4.312 125.266 121.223 -0.447 0.000 4.232 56 L HA -0.296 4.044 4.340 -0.000 0.000 0.415 56 L C 0.946 177.718 176.870 -0.164 0.000 1.168 56 L CA 0.505 55.113 54.840 -0.387 0.000 0.966 56 L CB -2.262 39.502 42.059 -0.491 0.000 2.052 56 L HN 0.828 nan 8.230 nan 0.000 0.887 57 G N -0.373 108.374 108.800 -0.088 0.000 2.945 57 G HA2 0.382 4.342 3.960 -0.000 0.000 0.156 57 G HA3 0.382 4.342 3.960 -0.000 0.000 0.156 57 G C 1.041 175.916 174.900 -0.042 0.000 1.375 57 G CA 0.455 45.527 45.100 -0.046 0.000 1.039 57 G HN 0.279 nan 8.290 nan 0.000 0.586 58 S N -0.636 115.045 115.700 -0.032 0.000 2.400 58 S HA -0.029 4.441 4.470 -0.000 0.000 0.232 58 S C 1.816 176.401 174.600 -0.026 0.000 1.025 58 S CA 1.161 59.341 58.200 -0.033 0.000 0.993 58 S CB -0.266 62.912 63.200 -0.037 0.000 0.808 58 S HN 0.262 nan 8.310 nan 0.000 0.478 59 L N 1.918 123.129 121.223 -0.019 0.000 2.857 59 L HA 0.287 4.626 4.340 -0.000 0.000 0.249 59 L C 2.096 178.957 176.870 -0.015 0.000 1.172 59 L CA 0.370 55.203 54.840 -0.011 0.000 0.980 59 L CB 0.022 42.081 42.059 0.000 0.000 1.299 59 L HN 0.430 nan 8.230 nan 0.000 0.535 60 S N -0.261 115.421 115.700 -0.031 0.000 2.474 60 S HA -0.046 4.424 4.470 -0.000 0.000 0.235 60 S C 1.659 176.235 174.600 -0.041 0.000 0.997 60 S CA 0.582 58.753 58.200 -0.048 0.000 0.949 60 S CB -0.238 62.906 63.200 -0.093 0.000 0.766 60 S HN 0.473 nan 8.310 nan 0.000 0.517 61 L N 0.420 121.624 121.223 -0.032 0.000 2.418 61 L HA 0.295 4.635 4.340 -0.000 0.000 0.218 61 L C 0.526 177.387 176.870 -0.015 0.000 1.125 61 L CA 0.270 55.096 54.840 -0.025 0.000 0.835 61 L CB -0.399 41.647 42.059 -0.022 0.000 0.953 61 L HN 0.283 nan 8.230 nan 0.000 0.454 62 L N 1.471 122.688 121.223 -0.011 0.000 2.276 62 L HA 0.329 4.669 4.340 -0.000 0.000 0.286 62 L C -2.145 174.724 176.870 -0.002 0.000 1.061 62 L CA -1.972 52.865 54.840 -0.004 0.000 0.807 62 L CB 0.802 42.861 42.059 -0.000 0.000 1.177 62 L HN -0.228 nan 8.230 nan 0.000 0.429 63 P HA 0.042 nan 4.420 nan 0.000 0.269 63 P C 0.374 177.676 177.300 0.005 0.000 1.215 63 P CA -0.128 62.972 63.100 0.002 0.000 0.780 63 P CB 0.891 32.592 31.700 0.002 0.000 0.898 64 A N 2.408 125.231 122.820 0.005 0.000 1.917 64 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 64 A C 2.038 179.627 177.584 0.009 0.000 1.182 64 A CA 2.807 54.848 52.037 0.007 0.000 0.633 64 A CB -2.184 16.818 19.000 0.003 0.000 0.819 64 A HN 0.662 nan 8.150 nan 0.000 0.448 65 T N -2.005 112.554 114.554 0.008 0.000 2.759 65 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 65 T C 1.825 176.531 174.700 0.011 0.000 1.042 65 T CA 1.819 63.925 62.100 0.010 0.000 1.140 65 T CB -0.227 68.646 68.868 0.008 0.000 0.864 65 T HN 0.393 nan 8.240 nan 0.000 0.455 66 K N 1.386 121.792 120.400 0.010 0.000 2.057 66 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 66 K C 2.220 178.828 176.600 0.013 0.000 1.050 66 K CA 1.071 57.364 56.287 0.010 0.000 0.935 66 K CB -0.870 31.634 32.500 0.007 0.000 0.715 66 K HN 0.472 nan 8.250 nan 0.000 0.439 67 L N -0.344 120.887 121.223 0.014 0.000 2.046 67 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 67 L C 2.433 179.316 176.870 0.021 0.000 1.077 67 L CA 1.495 56.346 54.840 0.018 0.000 0.747 67 L CB -1.078 40.992 42.059 0.018 0.000 0.896 67 L HN 0.452 nan 8.230 nan 0.000 0.432 68 G N -0.638 108.174 108.800 0.020 0.000 2.476 68 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 68 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 68 G C 1.742 176.655 174.900 0.022 0.000 1.164 68 G CA 1.106 46.219 45.100 0.022 0.000 0.768 68 G HN 0.354 nan 8.290 nan 0.000 0.560 69 S N 0.462 116.173 115.700 0.019 0.000 2.368 69 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 69 S C 2.303 176.914 174.600 0.019 0.000 1.030 69 S CA 1.058 59.269 58.200 0.018 0.000 0.999 69 S CB -0.245 62.963 63.200 0.015 0.000 0.844 69 S HN 0.390 nan 8.310 nan 0.000 0.459 70 I N 1.608 122.190 120.570 0.020 0.000 2.163 70 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 70 I C 2.654 178.788 176.117 0.028 0.000 1.085 70 I CA 1.262 62.576 61.300 0.023 0.000 1.347 70 I CB -0.439 37.575 38.000 0.023 0.000 1.044 70 I HN 0.274 nan 8.210 nan 0.000 0.408 71 A N 0.662 123.500 122.820 0.031 0.000 1.930 71 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 71 A C 2.295 179.899 177.584 0.034 0.000 1.175 71 A CA 1.356 53.415 52.037 0.036 0.000 0.627 71 A CB -0.729 18.294 19.000 0.039 0.000 0.815 71 A HN 0.382 nan 8.150 nan 0.000 0.443 72 I N -0.918 119.669 120.570 0.028 0.000 2.202 72 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 72 I C 2.800 178.930 176.117 0.021 0.000 1.091 72 I CA 1.688 63.002 61.300 0.023 0.000 1.368 72 I CB -0.329 37.682 38.000 0.019 0.000 1.058 72 I HN 0.488 nan 8.210 nan 0.000 0.410 73 Q N 0.860 120.672 119.800 0.021 0.000 2.084 73 Q HA -0.173 4.166 4.340 -0.000 0.000 0.202 73 Q C 2.236 178.250 176.000 0.023 0.000 0.978 73 Q CA 1.910 57.725 55.803 0.019 0.000 0.844 73 Q CB -0.280 28.468 28.738 0.018 0.000 0.898 73 Q HN 0.565 nan 8.270 nan 0.000 0.426 74 G N 0.242 109.059 108.800 0.028 0.000 2.446 74 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 74 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 74 G C 1.446 176.368 174.900 0.037 0.000 1.168 74 G CA 0.915 46.036 45.100 0.034 0.000 0.771 74 G HN 0.498 nan 8.290 nan 0.000 0.551 75 A N 0.584 123.427 122.820 0.039 0.000 1.933 75 A HA 0.045 4.364 4.320 -0.000 0.000 0.218 75 A C 2.407 180.008 177.584 0.028 0.000 1.175 75 A CA 1.324 53.386 52.037 0.040 0.000 0.628 75 A CB -0.332 18.690 19.000 0.038 0.000 0.814 75 A HN 0.396 nan 8.150 nan 0.000 0.444 76 I N -0.672 119.911 120.570 0.021 0.000 2.252 76 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 76 I C 2.488 178.614 176.117 0.016 0.000 1.102 76 I CA 1.423 62.731 61.300 0.014 0.000 1.385 76 I CB -0.374 37.632 38.000 0.010 0.000 1.064 76 I HN 0.413 nan 8.210 nan 0.000 0.414 77 E N 0.756 120.968 120.200 0.019 0.000 2.051 77 E HA -0.258 4.091 4.350 -0.000 0.000 0.192 77 E C 2.073 178.686 176.600 0.022 0.000 0.991 77 E CA 1.218 57.630 56.400 0.020 0.000 0.799 77 E CB -0.004 29.709 29.700 0.021 0.000 0.748 77 E HN 0.180 nan 8.360 nan 0.000 0.449 78 K N 0.449 120.867 120.400 0.030 0.000 2.209 78 K HA -0.062 4.258 4.320 -0.000 0.000 0.204 78 K C 1.695 178.313 176.600 0.030 0.000 1.048 78 K CA 1.052 57.362 56.287 0.038 0.000 0.940 78 K CB -0.205 32.331 32.500 0.059 0.000 0.729 78 K HN 0.126 nan 8.250 nan 0.000 0.451 79 A N -0.412 122.421 122.820 0.022 0.000 2.066 79 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 79 A C 1.508 179.096 177.584 0.007 0.000 1.157 79 A CA 1.095 53.138 52.037 0.011 0.000 0.670 79 A CB -0.613 18.391 19.000 0.006 0.000 0.804 79 A HN 0.358 nan 8.150 nan 0.000 0.453 80 G N -0.466 108.340 108.800 0.010 0.000 2.198 80 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 80 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 80 G C 0.174 175.076 174.900 0.004 0.000 1.025 80 G CA 0.600 45.704 45.100 0.007 0.000 0.769 80 G HN 1.407 nan 8.290 nan 0.000 0.507 81 I N -2.886 117.685 120.570 0.003 0.000 2.750 81 I HA 0.834 5.003 4.170 -0.000 0.000 0.308 81 I C -2.102 174.016 176.117 0.001 0.000 1.016 81 I CA -3.293 58.008 61.300 0.000 0.000 1.098 81 I CB 1.392 39.390 38.000 -0.002 0.000 1.279 81 I HN -0.135 nan 8.210 nan 0.000 0.454 82 P HA 0.182 nan 4.420 nan 0.000 0.269 82 P C -0.191 177.109 177.300 -0.000 0.000 1.209 82 P CA -0.330 62.770 63.100 0.001 0.000 0.776 82 P CB 0.651 32.351 31.700 -0.000 0.000 0.876 83 K N 1.123 121.524 120.400 0.001 0.000 2.148 83 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 83 K C 1.343 177.942 176.600 -0.002 0.000 1.050 83 K CA 1.398 57.685 56.287 0.001 0.000 0.942 83 K CB -0.050 32.452 32.500 0.003 0.000 0.724 83 K HN 0.447 nan 8.250 nan 0.000 0.446 84 E N 0.785 120.984 120.200 -0.001 0.000 2.401 84 E HA -0.132 4.218 4.350 -0.000 0.000 0.199 84 E C 1.439 178.036 176.600 -0.004 0.000 1.023 84 E CA 0.702 57.101 56.400 -0.002 0.000 0.859 84 E CB 0.079 29.778 29.700 -0.001 0.000 0.780 84 E HN 0.178 nan 8.360 nan 0.000 0.523 85 E N -0.102 120.095 120.200 -0.005 0.000 2.285 85 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 85 E C 0.057 176.649 176.600 -0.013 0.000 0.997 85 E CA 0.167 56.562 56.400 -0.008 0.000 0.845 85 E CB 0.250 29.946 29.700 -0.007 0.000 0.782 85 E HN 0.055 nan 8.360 nan 0.000 0.491 86 V N 3.336 123.241 119.914 -0.014 0.000 2.446 86 V HA -0.040 4.080 4.120 -0.000 0.000 0.276 86 V C 1.343 177.422 176.094 -0.025 0.000 1.030 86 V CA 0.385 62.672 62.300 -0.023 0.000 1.033 86 V CB 0.887 32.697 31.823 -0.021 0.000 0.993 86 V HN 0.016 nan 8.190 nan 0.000 0.477 87 K N 3.285 123.664 120.400 -0.036 0.000 2.242 87 K HA 0.254 4.574 4.320 -0.000 0.000 0.200 87 K C 0.604 177.179 176.600 -0.042 0.000 1.050 87 K CA 0.472 56.741 56.287 -0.031 0.000 0.981 87 K CB 0.656 33.140 32.500 -0.027 0.000 0.795 87 K HN 0.784 nan 8.250 nan 0.000 0.477 88 E N -1.018 119.136 120.200 -0.077 0.000 2.390 88 E HA 0.556 4.906 4.350 -0.000 0.000 0.280 88 E C -1.976 174.530 176.600 -0.157 0.000 0.992 88 E CA -0.602 55.734 56.400 -0.106 0.000 0.790 88 E CB 2.154 31.765 29.700 -0.148 0.000 1.248 88 E HN 0.034 nan 8.360 nan 0.000 0.447 89 A N 2.524 125.282 122.820 -0.103 0.000 2.374 89 A HA 0.682 5.002 4.320 -0.000 0.000 0.305 89 A C -1.968 175.676 177.584 0.101 0.000 1.053 89 A CA -0.508 51.492 52.037 -0.062 0.000 0.726 89 A CB 0.815 19.816 19.000 0.003 0.000 1.229 89 A HN 0.431 nan 8.150 nan 0.000 0.431 90 Y N 1.809 122.106 120.300 -0.005 0.000 2.376 90 Y HA 0.703 5.253 4.550 -0.000 0.000 0.340 90 Y C -0.062 175.832 175.900 -0.010 0.000 0.965 90 Y CA -1.909 56.185 58.100 -0.009 0.000 1.078 90 Y CB 1.954 40.404 38.460 -0.017 0.000 1.193 90 Y HN 0.516 nan 8.280 nan 0.000 0.452 91 M N 2.331 122.017 119.600 0.143 0.000 2.327 91 M HA 0.419 4.899 4.480 -0.000 0.000 0.298 91 M C 0.299 176.620 176.300 0.035 0.000 1.065 91 M CA -0.810 54.534 55.300 0.073 0.000 0.916 91 M CB 1.975 34.606 32.600 0.053 0.000 1.630 91 M HN 0.781 nan 8.290 nan 0.000 0.442 92 G N 2.154 110.969 108.800 0.024 0.000 2.442 92 G HA2 0.365 4.325 3.960 -0.000 0.000 0.249 92 G HA3 0.365 4.325 3.960 -0.000 0.000 0.249 92 G C -0.306 174.592 174.900 -0.002 0.000 1.263 92 G CA -0.249 44.852 45.100 0.002 0.000 0.846 92 G HN 0.869 nan 8.290 nan 0.000 0.555 93 N N 1.571 120.261 118.700 -0.016 0.000 3.127 93 N HA 0.033 4.772 4.740 -0.000 0.000 0.239 93 N C 0.260 175.750 175.510 -0.034 0.000 1.200 93 N CA -0.670 52.368 53.050 -0.021 0.000 0.924 93 N CB 1.393 39.873 38.487 -0.012 0.000 1.583 93 N HN 0.142 nan 8.380 nan 0.000 0.645 94 V N 2.995 122.881 119.914 -0.047 0.000 2.500 94 V HA 0.100 4.220 4.120 -0.000 0.000 0.243 94 V C 0.887 176.946 176.094 -0.058 0.000 1.039 94 V CA 0.917 63.181 62.300 -0.060 0.000 1.053 94 V CB -0.051 31.722 31.823 -0.083 0.000 0.695 94 V HN 0.587 nan 8.190 nan 0.000 0.463 95 L N 0.897 122.086 121.223 -0.056 0.000 2.360 95 L HA 0.351 4.690 4.340 -0.000 0.000 0.265 95 L C 0.826 177.673 176.870 -0.037 0.000 1.066 95 L CA 0.096 54.905 54.840 -0.053 0.000 0.929 95 L CB 0.827 42.849 42.059 -0.062 0.000 1.306 95 L HN 0.215 nan 8.230 nan 0.000 0.434 96 Q N 1.279 121.059 119.800 -0.032 0.000 2.392 96 Q HA 0.122 4.462 4.340 -0.000 0.000 0.203 96 Q C 1.290 177.278 176.000 -0.019 0.000 0.917 96 Q CA -0.108 55.682 55.803 -0.023 0.000 0.939 96 Q CB 0.633 29.358 28.738 -0.021 0.000 1.063 96 Q HN 0.739 nan 8.270 nan 0.000 0.516 97 G N 0.135 108.922 108.800 -0.023 0.000 2.254 97 G HA2 0.286 4.246 3.960 -0.000 0.000 0.253 97 G HA3 0.286 4.246 3.960 -0.000 0.000 0.253 97 G C 0.855 175.748 174.900 -0.012 0.000 1.246 97 G CA 0.330 45.419 45.100 -0.017 0.000 0.946 97 G HN 0.346 nan 8.290 nan 0.000 0.474 98 G N 1.983 110.780 108.800 -0.005 0.000 2.179 98 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 98 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 98 G C 0.847 175.747 174.900 -0.001 0.000 0.977 98 G CA 0.597 45.697 45.100 -0.000 0.000 0.641 98 G HN 0.682 nan 8.290 nan 0.000 0.533 99 E N 0.260 120.458 120.200 -0.003 0.000 2.435 99 E HA 0.390 4.740 4.350 -0.000 0.000 0.195 99 E C 1.548 178.148 176.600 0.000 0.000 1.029 99 E CA 0.494 56.893 56.400 -0.002 0.000 0.865 99 E CB 0.104 29.802 29.700 -0.004 0.000 0.833 99 E HN 1.564 nan 8.360 nan 0.000 0.510 100 G N 1.605 110.405 108.800 0.001 0.000 2.712 100 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.683 100 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.683 100 G C -0.674 174.227 174.900 0.001 0.000 1.320 100 G CA -0.658 44.443 45.100 0.002 0.000 0.847 100 G HN 0.192 nan 8.290 nan 0.000 0.553 101 Q N 0.114 119.915 119.800 0.002 0.000 2.337 101 Q HA 0.466 4.806 4.340 -0.000 0.000 0.270 101 Q C 1.014 177.017 176.000 0.004 0.000 1.002 101 Q CA 0.898 56.702 55.803 0.002 0.000 0.888 101 Q CB 0.273 29.012 28.738 0.003 0.000 1.222 101 Q HN 2.482 nan 8.270 nan 0.000 0.400 102 A N 4.681 127.503 122.820 0.003 0.000 2.183 102 A HA -0.132 4.188 4.320 -0.000 0.000 0.278 102 A C -2.003 175.586 177.584 0.009 0.000 1.404 102 A CA 0.126 52.167 52.037 0.006 0.000 0.737 102 A CB -1.249 17.757 19.000 0.010 0.000 1.172 102 A HN 0.815 nan 8.150 nan 0.000 0.338 103 P HA -0.188 nan 4.420 nan 0.000 0.216 103 P C 1.829 179.138 177.300 0.015 0.000 1.157 103 P CA 2.186 65.290 63.100 0.008 0.000 0.880 103 P CB -0.034 31.668 31.700 0.003 0.000 0.791 104 T N -0.842 113.724 114.554 0.021 0.000 2.746 104 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 104 T C 1.887 176.606 174.700 0.031 0.000 1.039 104 T CA 1.527 63.647 62.100 0.033 0.000 1.142 104 T CB -0.527 68.372 68.868 0.052 0.000 0.866 104 T HN 0.019 nan 8.240 nan 0.000 0.444 105 R N 1.428 121.944 120.500 0.027 0.000 2.083 105 R HA -0.083 4.257 4.340 -0.000 0.000 0.237 105 R C 2.446 178.756 176.300 0.018 0.000 1.137 105 R CA 1.682 57.796 56.100 0.023 0.000 0.951 105 R CB -0.550 29.761 30.300 0.020 0.000 0.851 105 R HN 0.500 nan 8.270 nan 0.000 0.434 106 Q N -0.848 118.961 119.800 0.015 0.000 2.096 106 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 106 Q C 2.075 178.083 176.000 0.013 0.000 0.982 106 Q CA 1.761 57.571 55.803 0.012 0.000 0.850 106 Q CB -0.214 28.530 28.738 0.010 0.000 0.901 106 Q HN 0.490 nan 8.270 nan 0.000 0.422 107 A N 0.164 122.994 122.820 0.016 0.000 1.897 107 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 107 A C 2.308 179.902 177.584 0.017 0.000 1.181 107 A CA 1.001 53.049 52.037 0.017 0.000 0.620 107 A CB -0.455 18.557 19.000 0.020 0.000 0.821 107 A HN 0.188 nan 8.150 nan 0.000 0.443 108 V N 0.159 120.084 119.914 0.018 0.000 2.283 108 V HA -0.204 3.916 4.120 -0.000 0.000 0.243 108 V C 2.535 178.637 176.094 0.013 0.000 1.039 108 V CA 1.853 64.163 62.300 0.016 0.000 1.016 108 V CB -0.714 31.120 31.823 0.018 0.000 0.650 108 V HN 0.560 nan 8.190 nan 0.000 0.449 109 L N 0.435 121.666 121.223 0.012 0.000 2.191 109 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 109 L C 2.535 179.411 176.870 0.010 0.000 1.103 109 L CA 1.501 56.347 54.840 0.010 0.000 0.769 109 L CB -1.018 41.047 42.059 0.010 0.000 0.908 109 L HN 0.494 nan 8.230 nan 0.000 0.438 110 G N -0.441 108.365 108.800 0.010 0.000 2.443 110 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 110 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 110 G C 1.490 176.396 174.900 0.011 0.000 1.131 110 G CA 0.627 45.733 45.100 0.010 0.000 0.775 110 G HN 0.451 nan 8.290 nan 0.000 0.547 111 A N -0.269 122.558 122.820 0.011 0.000 2.278 111 A HA 0.492 4.812 4.320 -0.000 0.000 0.212 111 A C 1.909 179.499 177.584 0.010 0.000 1.213 111 A CA 1.114 53.158 52.037 0.012 0.000 0.840 111 A CB -0.467 18.541 19.000 0.013 0.000 0.866 111 A HN 1.490 nan 8.150 nan 0.000 0.489 112 G N -1.369 107.436 108.800 0.009 0.000 2.143 112 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 112 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 112 G C -0.054 174.849 174.900 0.006 0.000 0.991 112 G CA 0.332 45.436 45.100 0.007 0.000 0.689 112 G HN 0.353 nan 8.290 nan 0.000 0.522 113 L N 0.938 122.164 121.223 0.006 0.000 2.453 113 L HA 0.524 4.864 4.340 -0.000 0.000 0.261 113 L C -1.473 175.400 176.870 0.005 0.000 1.179 113 L CA -1.698 53.144 54.840 0.005 0.000 0.813 113 L CB 0.105 42.166 42.059 0.004 0.000 1.110 113 L HN -0.088 nan 8.230 nan 0.000 0.466 114 P HA 0.038 nan 4.420 nan 0.000 0.268 114 P C 0.961 178.264 177.300 0.005 0.000 1.205 114 P CA -0.342 62.760 63.100 0.003 0.000 0.771 114 P CB 0.311 32.012 31.700 0.002 0.000 0.858 115 I N 0.682 121.255 120.570 0.005 0.000 2.800 115 I HA -0.167 4.003 4.170 -0.000 0.000 0.266 115 I C 1.015 177.136 176.117 0.006 0.000 1.249 115 I CA 1.912 63.215 61.300 0.006 0.000 1.458 115 I CB -2.061 35.943 38.000 0.006 0.000 1.093 115 I HN 0.235 nan 8.210 nan 0.000 0.466 116 S N 0.012 115.715 115.700 0.005 0.000 2.603 116 S HA 0.063 4.533 4.470 -0.000 0.000 0.220 116 S C 0.836 175.439 174.600 0.005 0.000 0.967 116 S CA -0.264 57.938 58.200 0.005 0.000 0.920 116 S CB -1.034 62.168 63.200 0.003 0.000 0.773 116 S HN 0.501 nan 8.310 nan 0.000 0.529 117 T N 5.189 119.746 114.554 0.005 0.000 2.727 117 T HA 0.401 4.750 4.350 -0.000 0.000 0.295 117 T C -2.632 172.076 174.700 0.014 0.000 0.915 117 T CA -1.097 61.006 62.100 0.005 0.000 1.066 117 T CB 0.823 69.692 68.868 0.002 0.000 0.891 117 T HN 0.227 nan 8.240 nan 0.000 0.516 118 P HA 0.404 nan 4.420 nan 0.000 0.271 118 P C -0.820 176.517 177.300 0.060 0.000 1.218 118 P CA -0.536 62.587 63.100 0.039 0.000 0.780 118 P CB 0.493 32.220 31.700 0.045 0.000 0.901 119 C N 1.173 120.522 119.300 0.082 0.000 2.783 119 C HA 0.677 5.137 4.460 -0.000 0.000 0.312 119 C C -0.466 174.597 174.990 0.120 0.000 1.182 119 C CA -0.151 58.932 59.018 0.108 0.000 1.432 119 C CB 1.771 29.550 27.740 0.065 0.000 1.933 119 C HN 0.508 nan 8.230 nan 0.000 0.473 120 T N 1.827 116.482 114.554 0.169 0.000 2.916 120 T HA 0.547 4.897 4.350 -0.000 0.000 0.298 120 T C -0.573 174.139 174.700 0.020 0.000 1.031 120 T CA -0.313 61.817 62.100 0.051 0.000 0.993 120 T CB 1.823 70.645 68.868 -0.076 0.000 1.045 120 T HN 0.642 nan 8.240 nan 0.000 0.454 121 T N 3.767 118.309 114.554 -0.021 0.000 2.795 121 T HA 0.576 4.926 4.350 -0.000 0.000 0.282 121 T C -0.242 174.421 174.700 -0.061 0.000 0.980 121 T CA -0.696 61.391 62.100 -0.022 0.000 1.012 121 T CB 0.471 69.333 68.868 -0.011 0.000 0.936 121 T HN 0.311 nan 8.240 nan 0.000 0.457 122 I N 3.637 124.172 120.570 -0.058 0.000 2.441 122 I HA 0.436 4.606 4.170 -0.000 0.000 0.295 122 I C -0.001 176.084 176.117 -0.052 0.000 0.994 122 I CA -0.946 60.306 61.300 -0.080 0.000 1.144 122 I CB 1.667 39.612 38.000 -0.091 0.000 1.314 122 I HN 0.554 nan 8.210 nan 0.000 0.445 123 N N 5.412 124.080 118.700 -0.053 0.000 2.573 123 N HA 0.210 4.950 4.740 -0.000 0.000 0.262 123 N C -0.532 174.955 175.510 -0.038 0.000 1.029 123 N CA -0.232 52.792 53.050 -0.043 0.000 0.882 123 N CB 1.101 39.563 38.487 -0.042 0.000 1.204 123 N HN 0.576 nan 8.380 nan 0.000 0.519 124 K N 3.858 124.238 120.400 -0.034 0.000 3.045 124 K HA 0.236 4.556 4.320 -0.000 0.000 0.211 124 K C -0.411 176.171 176.600 -0.030 0.000 1.141 124 K CA -0.418 55.854 56.287 -0.025 0.000 1.036 124 K CB -0.057 32.434 32.500 -0.016 0.000 0.851 124 K HN 0.360 nan 8.250 nan 0.000 0.462 128 S N 0.525 116.226 115.700 0.001 0.000 2.372 128 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 128 S C 2.059 176.659 174.600 0.000 0.000 1.044 128 S CA 2.201 60.396 58.200 -0.009 0.000 1.050 128 S CB -0.537 62.653 63.200 -0.018 0.000 0.901 128 S HN 1.092 nan 8.310 nan 0.000 0.447 129 G N 0.844 109.653 108.800 0.015 0.000 2.422 129 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 129 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 129 G C 1.377 176.286 174.900 0.016 0.000 1.146 129 G CA 0.990 46.104 45.100 0.023 0.000 0.769 129 G HN 0.457 nan 8.290 nan 0.000 0.547 130 M N -0.383 119.224 119.600 0.012 0.000 2.123 130 M HA 0.129 4.609 4.480 -0.000 0.000 0.263 130 M C 2.492 178.763 176.300 -0.048 0.000 1.069 130 M CA 1.572 56.868 55.300 -0.006 0.000 1.133 130 M CB 0.030 32.639 32.600 0.014 0.000 1.356 130 M HN 0.136 nan 8.290 nan 0.000 0.415 131 K N 0.955 121.332 120.400 -0.039 0.000 2.103 131 K HA -0.063 4.257 4.320 -0.000 0.000 0.207 131 K C 1.690 178.250 176.600 -0.067 0.000 1.048 131 K CA 1.823 58.070 56.287 -0.067 0.000 0.930 131 K CB -0.702 31.773 32.500 -0.042 0.000 0.716 131 K HN 0.444 nan 8.250 nan 0.000 0.444 132 A N 0.689 123.496 122.820 -0.022 0.000 1.883 132 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 132 A C 2.263 179.885 177.584 0.063 0.000 1.186 132 A CA 1.972 54.039 52.037 0.050 0.000 0.624 132 A CB -0.740 18.303 19.000 0.071 0.000 0.822 132 A HN 0.345 nan 8.150 nan 0.000 0.444 133 I N -0.923 119.635 120.570 -0.019 0.000 2.226 133 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 133 I C 2.750 178.750 176.117 -0.194 0.000 1.100 133 I CA 1.716 62.975 61.300 -0.067 0.000 1.374 133 I CB -0.384 37.580 38.000 -0.059 0.000 1.057 133 I HN 0.340 nan 8.210 nan 0.000 0.413 134 M N -0.307 119.075 119.600 -0.363 0.000 2.080 134 M HA -0.252 4.228 4.480 -0.000 0.000 0.260 134 M C 2.440 178.449 176.300 -0.485 0.000 1.068 134 M CA 2.064 56.851 55.300 -0.855 0.000 1.109 134 M CB -0.369 31.728 32.600 -0.839 0.000 1.342 134 M HN 0.202 nan 8.290 nan 0.000 0.405 135 M N -0.514 118.993 119.600 -0.154 0.000 2.175 135 M HA -0.105 4.374 4.480 -0.000 0.000 0.264 135 M C 2.453 178.897 176.300 0.239 0.000 1.063 135 M CA 1.528 56.864 55.300 0.059 0.000 1.119 135 M CB -0.538 32.082 32.600 0.034 0.000 1.377 135 M HN 0.371 nan 8.290 nan 0.000 0.415 136 A N -0.140 122.805 122.820 0.207 0.000 1.902 136 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 136 A C 2.286 179.862 177.584 -0.012 0.000 1.181 136 A CA 2.053 54.084 52.037 -0.011 0.000 0.623 136 A CB -0.794 18.131 19.000 -0.125 0.000 0.818 136 A HN 0.431 nan 8.150 nan 0.000 0.443 137 S N -0.221 115.467 115.700 -0.020 0.000 2.370 137 S HA -0.240 4.230 4.470 -0.000 0.000 0.226 137 S C 2.083 176.757 174.600 0.124 0.000 1.033 137 S CA 1.719 59.951 58.200 0.053 0.000 1.011 137 S CB -0.345 62.914 63.200 0.099 0.000 0.852 137 S HN 0.713 nan 8.310 nan 0.000 0.457 138 Q N 0.488 120.373 119.800 0.140 0.000 2.119 138 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 138 Q C 2.470 178.517 176.000 0.078 0.000 0.972 138 Q CA 1.381 57.282 55.803 0.162 0.000 0.847 138 Q CB -0.264 28.582 28.738 0.181 0.000 0.903 138 Q HN 0.508 nan 8.270 nan 0.000 0.433 139 S N 0.199 115.952 115.700 0.088 0.000 2.368 139 S HA -0.140 4.330 4.470 -0.000 0.000 0.225 139 S C 1.816 176.412 174.600 -0.007 0.000 1.030 139 S CA 0.832 59.074 58.200 0.071 0.000 0.999 139 S CB -0.050 63.208 63.200 0.096 0.000 0.844 139 S HN 0.197 nan 8.310 nan 0.000 0.459 140 L N 1.371 122.593 121.223 -0.003 0.000 2.046 140 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 140 L C 2.616 179.470 176.870 -0.026 0.000 1.077 140 L CA 1.794 56.626 54.840 -0.013 0.000 0.747 140 L CB -0.774 41.282 42.059 -0.005 0.000 0.896 140 L HN 0.395 nan 8.230 nan 0.000 0.432 141 M N -2.121 117.473 119.600 -0.010 0.000 2.149 141 M HA -0.275 4.205 4.480 -0.000 0.000 0.261 141 M C 2.275 178.523 176.300 -0.085 0.000 1.064 141 M CA 1.452 56.739 55.300 -0.021 0.000 1.102 141 M CB -0.637 31.975 32.600 0.020 0.000 1.369 141 M HN 0.291 nan 8.290 nan 0.000 0.408 142 C N 0.252 119.445 119.300 -0.179 0.000 2.472 142 C HA 0.111 4.571 4.460 -0.000 0.000 0.278 142 C C 1.782 176.566 174.990 -0.345 0.000 1.447 142 C CA 0.669 59.459 59.018 -0.380 0.000 1.773 142 C CB -1.635 25.591 27.740 -0.856 0.000 1.793 142 C HN 0.872 nan 8.230 nan 0.000 0.544 143 G N -0.155 108.543 108.800 -0.171 0.000 2.160 143 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 143 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 143 G C 0.306 175.240 174.900 0.057 0.000 1.008 143 G CA 0.749 45.821 45.100 -0.046 0.000 0.724 143 G HN 0.756 nan 8.290 nan 0.000 0.514 144 H N -0.860 118.218 119.070 0.013 0.000 2.502 144 H HA 0.148 4.704 4.556 -0.000 0.000 0.283 144 H C 1.206 176.534 175.328 -0.001 0.000 1.015 144 H CA 1.055 57.111 56.048 0.012 0.000 1.298 144 H CB 0.293 30.070 29.762 0.025 0.000 1.411 144 H HN 0.392 nan 8.280 nan 0.000 0.556 145 Q N 0.170 120.029 119.800 0.099 0.000 2.456 145 Q HA 0.053 4.393 4.340 -0.000 0.000 0.284 145 Q C -0.349 175.656 176.000 0.009 0.000 1.061 145 Q CA -0.319 55.503 55.803 0.032 0.000 0.799 145 Q CB 2.085 30.817 28.738 -0.009 0.000 1.445 145 Q HN 0.340 nan 8.270 nan 0.000 0.411 146 D N -1.230 119.169 120.400 -0.002 0.000 2.423 146 D HA 0.115 4.755 4.640 -0.000 0.000 0.212 146 D C 0.205 176.494 176.300 -0.019 0.000 1.060 146 D CA 0.316 54.311 54.000 -0.008 0.000 0.872 146 D CB 0.864 41.662 40.800 -0.003 0.000 1.012 146 D HN 0.133 nan 8.370 nan 0.000 0.503 147 V N 0.960 120.858 119.914 -0.027 0.000 2.686 147 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 147 V C -0.546 175.513 176.094 -0.057 0.000 1.065 147 V CA -0.584 61.695 62.300 -0.035 0.000 0.894 147 V CB 1.989 33.797 31.823 -0.026 0.000 1.004 147 V HN 0.072 nan 8.190 nan 0.000 0.424 148 M N 3.398 122.954 119.600 -0.073 0.000 2.631 148 M HA 0.667 5.147 4.480 -0.000 0.000 0.288 148 M C -1.425 174.822 176.300 -0.088 0.000 1.260 148 M CA -0.897 54.335 55.300 -0.114 0.000 0.842 148 M CB 2.815 35.297 32.600 -0.196 0.000 1.743 148 M HN 0.357 nan 8.290 nan 0.000 0.461 149 V N 1.363 121.223 119.914 -0.091 0.000 2.483 149 V HA 0.890 5.010 4.120 -0.000 0.000 0.295 149 V C -0.570 175.491 176.094 -0.055 0.000 1.035 149 V CA -0.437 61.832 62.300 -0.052 0.000 0.896 149 V CB 1.582 33.390 31.823 -0.025 0.000 0.986 149 V HN 0.914 nan 8.190 nan 0.000 0.447 150 A N 3.211 126.018 122.820 -0.021 0.000 2.486 150 A HA 1.027 5.346 4.320 -0.000 0.000 0.300 150 A C -0.037 177.564 177.584 0.029 0.000 1.048 150 A CA 0.166 52.211 52.037 0.013 0.000 0.696 150 A CB 2.076 21.077 19.000 0.003 0.000 1.278 150 A HN 1.400 nan 8.150 nan 0.000 0.405 151 G N -0.425 108.402 108.800 0.046 0.000 2.435 151 G HA2 0.722 4.682 3.960 -0.000 0.000 0.228 151 G HA3 0.722 4.682 3.960 -0.000 0.000 0.228 151 G C -0.297 174.627 174.900 0.040 0.000 1.198 151 G CA 0.436 45.560 45.100 0.040 0.000 0.948 151 G HN 1.974 nan 8.290 nan 0.000 0.487 152 G N -0.678 108.144 108.800 0.037 0.000 2.698 152 G HA2 0.760 4.719 3.960 -0.000 0.000 0.293 152 G HA3 0.760 4.719 3.960 -0.000 0.000 0.293 152 G C -0.783 174.133 174.900 0.027 0.000 1.437 152 G CA -0.034 45.083 45.100 0.029 0.000 0.852 152 G HN 1.472 nan 8.290 nan 0.000 0.499 153 M N -0.290 119.320 119.600 0.017 0.000 2.413 153 M HA 0.893 5.373 4.480 -0.000 0.000 0.287 153 M C -1.748 174.553 176.300 0.002 0.000 1.186 153 M CA -0.949 54.359 55.300 0.014 0.000 0.927 153 M CB 2.775 35.385 32.600 0.015 0.000 1.715 153 M HN 0.475 nan 8.290 nan 0.000 0.478 154 E N 0.824 121.025 120.200 0.002 0.000 2.388 154 E HA 0.466 4.816 4.350 -0.000 0.000 0.289 154 E C -1.936 174.668 176.600 0.005 0.000 0.944 154 E CA -0.153 56.242 56.400 -0.008 0.000 0.792 154 E CB 2.458 32.139 29.700 -0.032 0.000 1.239 154 E HN 0.718 nan 8.360 nan 0.000 0.412 155 S N 5.057 120.762 115.700 0.008 0.000 2.532 155 S HA 0.290 4.760 4.470 -0.000 0.000 0.256 155 S C 0.646 175.273 174.600 0.045 0.000 1.298 155 S CA -0.375 57.840 58.200 0.026 0.000 1.166 155 S CB 0.114 63.323 63.200 0.015 0.000 1.022 155 S HN 0.712 nan 8.310 nan 0.000 0.480 156 M N 1.972 121.621 119.600 0.081 0.000 2.296 156 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 156 M C 2.200 178.690 176.300 0.317 0.000 1.064 156 M CA 0.966 56.347 55.300 0.135 0.000 1.109 156 M CB -0.323 32.322 32.600 0.074 0.000 1.396 156 M HN 0.549 nan 8.290 nan 0.000 0.430 157 S N 0.903 116.749 115.700 0.242 0.000 2.383 157 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 157 S C 1.428 176.020 174.600 -0.013 0.000 1.030 157 S CA 1.144 59.346 58.200 0.003 0.000 1.002 157 S CB -0.329 62.811 63.200 -0.100 0.000 0.829 157 S HN 0.508 nan 8.310 nan 0.000 0.467 158 N N 0.951 119.662 118.700 0.017 0.000 2.280 158 N HA 0.133 4.873 4.740 -0.000 0.000 0.192 158 N C -0.366 175.142 175.510 -0.004 0.000 1.109 158 N CA 0.076 53.125 53.050 -0.002 0.000 0.855 158 N CB 0.363 38.847 38.487 -0.005 0.000 0.974 158 N HN 0.161 nan 8.380 nan 0.000 0.482 159 V N 4.502 124.417 119.914 0.002 0.000 2.540 159 V HA 0.061 4.181 4.120 -0.000 0.000 0.297 159 V C -1.459 174.568 176.094 -0.111 0.000 1.024 159 V CA -0.667 61.607 62.300 -0.044 0.000 1.105 159 V CB 0.532 32.326 31.823 -0.048 0.000 0.938 159 V HN 0.140 nan 8.190 nan 0.000 0.482 160 P HA 0.346 nan 4.420 nan 0.000 0.282 160 P C -1.236 175.927 177.300 -0.229 0.000 1.287 160 P CA -0.544 62.494 63.100 -0.102 0.000 0.792 160 P CB 0.775 32.476 31.700 0.001 0.000 1.163 161 Y N -1.171 119.143 120.300 0.023 0.000 2.376 161 Y HA 0.421 4.971 4.550 -0.000 0.000 0.325 161 Y C 0.784 176.691 175.900 0.011 0.000 1.199 161 Y CA -0.515 57.596 58.100 0.020 0.000 1.206 161 Y CB 1.252 39.725 38.460 0.021 0.000 1.229 161 Y HN 0.117 nan 8.280 nan 0.000 0.480 162 V N 0.609 120.619 119.914 0.160 0.000 2.815 162 V HA 0.665 4.785 4.120 -0.000 0.000 0.314 162 V C -0.655 175.486 176.094 0.078 0.000 1.064 162 V CA -1.167 61.187 62.300 0.089 0.000 0.952 162 V CB 1.988 33.839 31.823 0.046 0.000 1.020 162 V HN 0.865 nan 8.190 nan 0.000 0.439 163 M N 3.306 122.936 119.600 0.051 0.000 2.326 163 M HA 0.561 5.041 4.480 -0.000 0.000 0.306 163 M C -0.794 175.520 176.300 0.025 0.000 1.054 163 M CA -0.530 54.790 55.300 0.035 0.000 0.922 163 M CB 1.729 34.346 32.600 0.027 0.000 1.632 163 M HN 0.885 nan 8.290 nan 0.000 0.436 164 N N 3.638 122.350 118.700 0.020 0.000 2.353 164 N HA 0.010 4.750 4.740 -0.000 0.000 0.248 164 N C -0.459 175.059 175.510 0.014 0.000 1.240 164 N CA 0.286 53.345 53.050 0.015 0.000 0.862 164 N CB 0.406 38.901 38.487 0.014 0.000 1.086 164 N HN 0.640 nan 8.380 nan 0.000 0.453 165 R N 0.591 121.098 120.500 0.012 0.000 2.590 165 R HA 0.385 4.725 4.340 -0.000 0.000 0.274 165 R C 0.688 176.995 176.300 0.011 0.000 1.061 165 R CA 0.608 56.714 56.100 0.010 0.000 1.081 165 R CB -0.028 30.277 30.300 0.009 0.000 0.984 165 R HN 0.773 nan 8.270 nan 0.000 0.448 166 G N 1.310 110.116 108.800 0.011 0.000 2.306 166 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.262 166 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.262 166 G C -1.224 173.684 174.900 0.013 0.000 1.263 166 G CA -0.296 44.811 45.100 0.012 0.000 1.088 166 G HN 0.800 nan 8.290 nan 0.000 0.489 167 S N -0.447 115.263 115.700 0.016 0.000 2.541 167 S HA 0.644 5.114 4.470 -0.000 0.000 0.283 167 S C 0.521 175.134 174.600 0.022 0.000 1.196 167 S CA 0.654 58.866 58.200 0.019 0.000 1.062 167 S CB 1.249 64.462 63.200 0.022 0.000 1.009 167 S HN 2.083 nan 8.310 nan 0.000 0.502 168 T N 1.128 115.695 114.554 0.021 0.000 2.867 168 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 168 T C -2.425 172.295 174.700 0.034 0.000 0.989 168 T CA -1.031 61.081 62.100 0.019 0.000 1.159 168 T CB -0.696 68.179 68.868 0.012 0.000 0.928 168 T HN 0.559 nan 8.240 nan 0.000 0.538 169 P HA 0.195 nan 4.420 nan 0.000 0.278 169 P C -0.589 176.756 177.300 0.074 0.000 1.238 169 P CA -0.832 62.304 63.100 0.060 0.000 0.794 169 P CB 0.232 31.959 31.700 0.046 0.000 0.955 170 Y N 1.753 122.054 120.300 0.002 0.000 2.810 170 Y HA 0.223 4.773 4.550 -0.000 0.000 0.332 170 Y C 1.653 177.554 175.900 0.001 0.000 1.243 170 Y CA 2.182 60.282 58.100 0.001 0.000 1.537 170 Y CB -0.208 38.253 38.460 0.001 0.000 1.265 170 Y HN 0.831 nan 8.280 nan 0.000 0.572 171 G N 2.089 110.493 108.800 -0.661 0.000 2.213 171 G HA2 0.133 4.093 3.960 -0.000 0.000 0.226 171 G HA3 0.133 4.093 3.960 -0.000 0.000 0.226 171 G C 0.577 175.343 174.900 -0.224 0.000 0.992 171 G CA 0.147 44.963 45.100 -0.473 0.000 0.632 171 G HN 2.139 nan 8.290 nan 0.000 0.511 172 G N -2.319 106.388 108.800 -0.154 0.000 2.373 172 G HA2 0.479 4.439 3.960 -0.000 0.000 0.634 172 G HA3 0.479 4.439 3.960 -0.000 0.000 0.634 172 G C -0.756 174.114 174.900 -0.049 0.000 1.267 172 G CA 0.606 45.650 45.100 -0.093 0.000 1.008 172 G HN 1.875 nan 8.290 nan 0.000 0.497 173 V N -0.325 119.567 119.914 -0.037 0.000 3.077 173 V HA 0.720 4.840 4.120 -0.000 0.000 0.299 173 V C -0.643 175.441 176.094 -0.018 0.000 1.276 173 V CA -0.571 61.718 62.300 -0.018 0.000 0.993 173 V CB 1.975 33.793 31.823 -0.008 0.000 1.076 173 V HN 1.080 nan 8.190 nan 0.000 0.434 174 K N 5.462 125.858 120.400 -0.006 0.000 2.248 174 K HA 0.543 4.863 4.320 -0.000 0.000 0.281 174 K C -0.766 175.843 176.600 0.014 0.000 1.054 174 K CA -0.567 55.719 56.287 -0.002 0.000 0.903 174 K CB 0.781 33.287 32.500 0.011 0.000 1.077 174 K HN 0.675 nan 8.250 nan 0.000 0.474 175 L N 4.503 125.731 121.223 0.007 0.000 2.360 175 L HA 0.150 4.490 4.340 -0.000 0.000 0.276 175 L C 0.471 177.414 176.870 0.121 0.000 1.121 175 L CA 0.006 54.874 54.840 0.047 0.000 0.845 175 L CB 0.517 42.590 42.059 0.022 0.000 1.143 175 L HN 0.609 nan 8.230 nan 0.000 0.452 176 E N 1.890 122.170 120.200 0.133 0.000 2.349 176 E HA 0.067 4.416 4.350 -0.000 0.000 0.265 176 E C -0.617 176.119 176.600 0.226 0.000 1.064 176 E CA -0.548 55.942 56.400 0.150 0.000 0.886 176 E CB 1.184 30.929 29.700 0.076 0.000 1.036 176 E HN 0.402 nan 8.360 nan 0.000 0.413 177 D N 2.532 123.041 120.400 0.182 0.000 2.295 177 D HA 0.056 4.695 4.640 -0.000 0.000 0.248 177 D C 0.809 177.060 176.300 -0.080 0.000 1.154 177 D CA -0.027 53.959 54.000 -0.022 0.000 0.857 177 D CB 1.022 41.837 40.800 0.026 0.000 1.117 177 D HN 0.423 nan 8.370 nan 0.000 0.468 178 L N 4.067 125.203 121.223 -0.144 0.000 2.141 178 L HA -0.136 4.203 4.340 -0.000 0.000 0.209 178 L C 2.293 179.102 176.870 -0.102 0.000 1.094 178 L CA 0.558 55.340 54.840 -0.097 0.000 0.763 178 L CB -0.143 41.862 42.059 -0.089 0.000 0.908 178 L HN 0.559 nan 8.230 nan 0.000 0.437 179 I N -0.847 119.648 120.570 -0.124 0.000 2.163 179 I HA -0.304 3.865 4.170 -0.000 0.000 0.243 179 I C 2.409 178.465 176.117 -0.102 0.000 1.085 179 I CA 1.316 62.546 61.300 -0.117 0.000 1.347 179 I CB -0.356 37.562 38.000 -0.136 0.000 1.044 179 I HN 0.032 nan 8.210 nan 0.000 0.408 180 V N 0.771 120.646 119.914 -0.065 0.000 2.323 180 V HA -0.255 3.865 4.120 -0.000 0.000 0.244 180 V C 2.481 178.538 176.094 -0.062 0.000 1.041 180 V CA 1.996 64.274 62.300 -0.037 0.000 1.025 180 V CB -0.626 31.221 31.823 0.040 0.000 0.656 180 V HN 0.396 nan 8.190 nan 0.000 0.451 181 K N -0.031 120.340 120.400 -0.048 0.000 2.031 181 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 181 K C 1.707 178.260 176.600 -0.077 0.000 1.049 181 K CA 1.902 58.159 56.287 -0.050 0.000 0.939 181 K CB -0.114 32.370 32.500 -0.028 0.000 0.717 181 K HN 0.394 nan 8.250 nan 0.000 0.438 182 D N -1.016 119.335 120.400 -0.082 0.000 2.277 182 D HA 0.034 4.674 4.640 -0.000 0.000 0.209 182 D C 1.699 177.932 176.300 -0.112 0.000 0.970 182 D CA 1.039 54.986 54.000 -0.089 0.000 0.874 182 D CB 0.152 40.907 40.800 -0.074 0.000 0.982 182 D HN 0.432 nan 8.370 nan 0.000 0.504 183 G N -0.017 108.707 108.800 -0.126 0.000 2.441 183 G HA2 0.033 3.992 3.960 -0.000 0.000 0.212 183 G HA3 0.033 3.992 3.960 -0.000 0.000 0.212 183 G C 1.354 176.136 174.900 -0.197 0.000 1.164 183 G CA 0.084 45.092 45.100 -0.153 0.000 0.811 183 G HN 0.218 nan 8.290 nan 0.000 0.535 184 L N 0.459 121.544 121.223 -0.231 0.000 2.966 184 L HA 0.269 4.609 4.340 -0.000 0.000 0.262 184 L C -0.022 176.588 176.870 -0.433 0.000 1.165 184 L CA 0.048 54.656 54.840 -0.387 0.000 0.978 184 L CB 1.119 42.878 42.059 -0.500 0.000 1.337 184 L HN -0.062 nan 8.230 nan 0.000 0.563 185 T N 0.063 114.470 114.554 -0.244 0.000 2.758 185 T HA 0.156 4.505 4.350 -0.000 0.000 0.285 185 T C -0.496 174.124 174.700 -0.132 0.000 0.981 185 T CA -0.339 61.664 62.100 -0.161 0.000 0.965 185 T CB 1.784 70.595 68.868 -0.095 0.000 0.927 185 T HN -0.024 nan 8.240 nan 0.000 0.448 186 D N 2.602 122.953 120.400 -0.082 0.000 2.417 186 D HA 0.076 4.716 4.640 -0.000 0.000 0.250 186 D C 1.265 177.477 176.300 -0.148 0.000 1.166 186 D CA -0.084 53.883 54.000 -0.054 0.000 0.881 186 D CB 0.827 41.669 40.800 0.070 0.000 1.164 186 D HN 0.167 nan 8.370 nan 0.000 0.467 187 V N 4.067 123.765 119.914 -0.360 0.000 2.343 187 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 187 V C 1.246 177.026 176.094 -0.524 0.000 1.051 187 V CA 1.644 63.602 62.300 -0.571 0.000 1.036 187 V CB -0.863 30.418 31.823 -0.904 0.000 0.654 187 V HN 0.685 nan 8.190 nan 0.000 0.451 188 Y N -0.451 119.855 120.300 0.010 0.000 2.397 188 Y HA 0.132 4.682 4.550 -0.000 0.000 0.292 188 Y C 2.273 178.183 175.900 0.016 0.000 1.115 188 Y CA 0.582 58.690 58.100 0.013 0.000 1.208 188 Y CB -0.360 38.109 38.460 0.015 0.000 1.046 188 Y HN 0.235 nan 8.280 nan 0.000 0.552 189 N N 0.464 119.247 118.700 0.137 0.000 2.325 189 N HA -0.012 4.728 4.740 -0.000 0.000 0.182 189 N C -0.140 175.399 175.510 0.048 0.000 1.088 189 N CA 0.301 53.406 53.050 0.091 0.000 0.879 189 N CB 0.176 38.720 38.487 0.095 0.000 0.983 189 N HN 0.221 nan 8.380 nan 0.000 0.471 190 K N 1.013 121.421 120.400 0.015 0.000 3.148 190 K HA -0.170 4.150 4.320 -0.000 0.000 0.267 190 K C -0.324 176.294 176.600 0.031 0.000 0.996 190 K CA 0.585 56.874 56.287 0.004 0.000 0.737 190 K CB -1.891 30.613 32.500 0.008 0.000 1.308 190 K HN 0.476 nan 8.250 nan 0.000 0.470 191 I N -4.614 115.980 120.570 0.040 0.000 3.095 191 I HA 0.430 4.600 4.170 -0.000 0.000 0.310 191 I C 0.435 176.600 176.117 0.079 0.000 1.196 191 I CA -1.347 59.997 61.300 0.073 0.000 0.985 191 I CB 1.725 39.767 38.000 0.070 0.000 1.250 191 I HN -0.038 nan 8.210 nan 0.000 0.446 192 H N 3.305 122.382 119.070 0.011 0.000 2.679 192 H HA 0.235 4.791 4.556 -0.000 0.000 0.369 192 H C 0.720 175.994 175.328 -0.090 0.000 1.178 192 H CA -0.039 55.991 56.048 -0.030 0.000 1.419 192 H CB 1.439 31.200 29.762 -0.003 0.000 1.458 192 H HN 0.687 nan 8.280 nan 0.000 0.605 193 M N 2.857 122.411 119.600 -0.077 0.000 2.144 193 M HA -0.143 4.337 4.480 -0.000 0.000 0.260 193 M C 2.323 178.610 176.300 -0.022 0.000 1.067 193 M CA 1.577 56.973 55.300 0.160 0.000 1.095 193 M CB -1.604 31.112 32.600 0.194 0.000 1.365 193 M HN 0.791 nan 8.290 nan 0.000 0.406 194 G N -0.435 108.160 108.800 -0.342 0.000 2.442 194 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 194 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 194 G C 1.719 176.221 174.900 -0.663 0.000 1.141 194 G CA 1.269 45.594 45.100 -1.292 0.000 0.763 194 G HN 0.504 nan 8.290 nan 0.000 0.554 195 S N -0.336 115.172 115.700 -0.320 0.000 2.406 195 S HA -0.131 4.339 4.470 -0.000 0.000 0.228 195 S C 2.431 176.951 174.600 -0.134 0.000 1.020 195 S CA 1.075 59.210 58.200 -0.109 0.000 0.965 195 S CB -0.377 62.830 63.200 0.013 0.000 0.798 195 S HN 0.552 nan 8.310 nan 0.000 0.488 196 C N 1.990 121.213 119.300 -0.128 0.000 2.429 196 C HA 0.011 4.471 4.460 -0.000 0.000 0.277 196 C C 3.052 177.823 174.990 -0.365 0.000 1.262 196 C CA 0.413 59.330 59.018 -0.168 0.000 1.733 196 C CB -1.583 26.156 27.740 -0.003 0.000 2.010 196 C HN 0.671 nan 8.230 nan 0.000 0.483 197 A N 0.798 123.321 122.820 -0.495 0.000 1.902 197 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 197 A C 2.117 179.499 177.584 -0.337 0.000 1.181 197 A CA 1.635 53.337 52.037 -0.559 0.000 0.623 197 A CB -0.496 17.925 19.000 -0.965 0.000 0.818 197 A HN 0.594 nan 8.150 nan 0.000 0.443 198 E N 0.112 120.157 120.200 -0.258 0.000 2.097 198 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 198 E C 1.886 178.415 176.600 -0.118 0.000 1.000 198 E CA 1.151 57.471 56.400 -0.134 0.000 0.804 198 E CB -0.570 29.091 29.700 -0.066 0.000 0.740 198 E HN 0.739 nan 8.360 nan 0.000 0.454 199 N N 0.347 118.966 118.700 -0.134 0.000 2.104 199 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 199 N C 1.608 177.047 175.510 -0.119 0.000 1.024 199 N CA 1.743 54.727 53.050 -0.109 0.000 0.853 199 N CB 0.093 38.516 38.487 -0.107 0.000 1.008 199 N HN 0.073 nan 8.380 nan 0.000 0.424 200 T N 0.807 115.260 114.554 -0.169 0.000 2.821 200 T HA 0.016 4.365 4.350 -0.000 0.000 0.267 200 T C 1.970 176.599 174.700 -0.119 0.000 1.046 200 T CA 1.070 63.075 62.100 -0.157 0.000 1.139 200 T CB -0.346 68.391 68.868 -0.217 0.000 0.871 200 T HN 0.405 nan 8.240 nan 0.000 0.454 201 A N 2.183 124.932 122.820 -0.118 0.000 1.892 201 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 201 A C 2.273 179.820 177.584 -0.061 0.000 1.188 201 A CA 1.639 53.627 52.037 -0.082 0.000 0.631 201 A CB -0.489 18.468 19.000 -0.072 0.000 0.822 201 A HN 0.375 nan 8.150 nan 0.000 0.447 202 K N -0.281 120.084 120.400 -0.059 0.000 1.987 202 K HA -0.208 4.112 4.320 -0.000 0.000 0.216 202 K C 2.150 178.725 176.600 -0.043 0.000 1.051 202 K CA 2.030 58.290 56.287 -0.044 0.000 0.942 202 K CB -0.360 32.115 32.500 -0.041 0.000 0.722 202 K HN 0.487 nan 8.250 nan 0.000 0.444 203 K N 0.693 121.063 120.400 -0.049 0.000 2.044 203 K HA -0.111 4.209 4.320 -0.000 0.000 0.210 203 K C 1.942 178.517 176.600 -0.043 0.000 1.049 203 K CA 1.247 57.508 56.287 -0.043 0.000 0.927 203 K CB -0.135 32.337 32.500 -0.047 0.000 0.713 203 K HN 0.135 nan 8.250 nan 0.000 0.443 204 L N 0.753 121.945 121.223 -0.053 0.000 2.611 204 L HA 0.084 4.424 4.340 -0.000 0.000 0.229 204 L C 0.030 176.872 176.870 -0.046 0.000 1.137 204 L CA -0.328 54.480 54.840 -0.052 0.000 0.901 204 L CB -0.679 41.340 42.059 -0.067 0.000 1.098 204 L HN 0.312 nan 8.230 nan 0.000 0.456 205 N N 1.753 120.429 118.700 -0.040 0.000 2.688 205 N HA -0.233 4.506 4.740 -0.000 0.000 0.258 205 N C -0.661 174.830 175.510 -0.032 0.000 1.016 205 N CA 0.422 53.453 53.050 -0.032 0.000 0.747 205 N CB -1.061 37.411 38.487 -0.026 0.000 0.895 205 N HN 0.391 nan 8.380 nan 0.000 0.543 206 I N 0.594 121.141 120.570 -0.037 0.000 2.371 206 I HA 0.485 4.655 4.170 -0.000 0.000 0.282 206 I C 0.951 177.055 176.117 -0.022 0.000 1.031 206 I CA -0.625 60.654 61.300 -0.034 0.000 1.180 206 I CB 1.069 39.038 38.000 -0.051 0.000 1.336 206 I HN 0.367 nan 8.210 nan 0.000 0.467 207 A N 5.163 127.976 122.820 -0.011 0.000 2.257 207 A HA 0.432 4.752 4.320 -0.000 0.000 0.289 207 A C 1.387 178.977 177.584 0.010 0.000 1.095 207 A CA -0.399 51.637 52.037 -0.002 0.000 0.836 207 A CB 0.584 19.583 19.000 -0.001 0.000 1.111 207 A HN 0.808 nan 8.150 nan 0.000 0.497 208 R N 0.834 121.342 120.500 0.014 0.000 2.096 208 R HA -0.211 4.129 4.340 -0.000 0.000 0.240 208 R C 1.818 178.135 176.300 0.028 0.000 1.139 208 R CA 2.818 58.934 56.100 0.025 0.000 0.952 208 R CB -0.598 29.714 30.300 0.021 0.000 0.854 208 R HN 0.910 nan 8.270 nan 0.000 0.436 209 N N 0.566 119.278 118.700 0.019 0.000 2.120 209 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 209 N C 1.243 176.768 175.510 0.025 0.000 1.024 209 N CA 2.085 55.145 53.050 0.017 0.000 0.852 209 N CB -0.464 38.029 38.487 0.010 0.000 1.003 209 N HN 0.559 nan 8.380 nan 0.000 0.424 210 E N 0.770 120.987 120.200 0.028 0.000 2.072 210 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 210 E C 2.209 178.855 176.600 0.077 0.000 0.985 210 E CA 1.035 57.459 56.400 0.041 0.000 0.801 210 E CB -0.186 29.528 29.700 0.023 0.000 0.750 210 E HN 0.542 nan 8.360 nan 0.000 0.452 211 Q N 0.739 120.581 119.800 0.071 0.000 2.084 211 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 211 Q C 1.710 177.792 176.000 0.137 0.000 0.978 211 Q CA 1.289 57.158 55.803 0.111 0.000 0.844 211 Q CB -0.041 28.751 28.738 0.090 0.000 0.898 211 Q HN 0.229 nan 8.270 nan 0.000 0.426 212 D N 0.421 120.871 120.400 0.082 0.000 2.144 212 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 212 D C 1.755 178.063 176.300 0.014 0.000 0.984 212 D CA 1.294 55.324 54.000 0.051 0.000 0.834 212 D CB -0.167 40.645 40.800 0.020 0.000 0.955 212 D HN 0.262 nan 8.370 nan 0.000 0.465 213 A N -0.066 122.767 122.820 0.022 0.000 1.898 213 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 213 A C 2.201 179.787 177.584 0.005 0.000 1.181 213 A CA 1.215 53.247 52.037 -0.009 0.000 0.620 213 A CB -1.074 17.934 19.000 0.013 0.000 0.819 213 A HN 0.331 nan 8.150 nan 0.000 0.442 214 Y N 0.668 120.963 120.300 -0.008 0.000 2.128 214 Y HA -0.150 4.400 4.550 -0.000 0.000 0.284 214 Y C 2.695 178.607 175.900 0.021 0.000 1.154 214 Y CA 1.523 59.627 58.100 0.006 0.000 1.149 214 Y CB -0.517 37.952 38.460 0.013 0.000 0.976 214 Y HN 0.321 nan 8.280 nan 0.000 0.505 215 A N 0.425 123.320 122.820 0.125 0.000 1.883 215 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 215 A C 2.285 179.915 177.584 0.077 0.000 1.186 215 A CA 2.205 54.317 52.037 0.126 0.000 0.624 215 A CB -1.249 17.878 19.000 0.211 0.000 0.822 215 A HN 0.588 nan 8.150 nan 0.000 0.444 216 I N -0.034 120.479 120.570 -0.095 0.000 2.208 216 I HA -0.309 3.860 4.170 -0.000 0.000 0.245 216 I C 2.421 178.431 176.117 -0.178 0.000 1.097 216 I CA 1.818 62.894 61.300 -0.374 0.000 1.363 216 I CB -0.490 37.091 38.000 -0.699 0.000 1.051 216 I HN 0.599 nan 8.210 nan 0.000 0.413 217 N N 0.200 118.789 118.700 -0.186 0.000 2.104 217 N HA -0.259 4.481 4.740 -0.000 0.000 0.190 217 N C 1.943 177.356 175.510 -0.160 0.000 1.024 217 N CA 1.888 54.836 53.050 -0.171 0.000 0.853 217 N CB -0.133 38.194 38.487 -0.265 0.000 1.008 217 N HN 0.237 nan 8.380 nan 0.000 0.424 218 S N -1.271 114.266 115.700 -0.271 0.000 2.356 218 S HA -0.155 4.315 4.470 -0.000 0.000 0.223 218 S C 1.754 176.328 174.600 -0.044 0.000 1.032 218 S CA 1.003 59.072 58.200 -0.218 0.000 1.005 218 S CB -0.717 62.321 63.200 -0.271 0.000 0.867 218 S HN 0.509 nan 8.310 nan 0.000 0.449 219 Y N 2.033 122.391 120.300 0.096 0.000 2.165 219 Y HA -0.105 4.444 4.550 -0.000 0.000 0.286 219 Y C 3.016 179.088 175.900 0.286 0.000 1.155 219 Y CA 1.858 60.111 58.100 0.256 0.000 1.164 219 Y CB -1.119 37.590 38.460 0.415 0.000 0.978 219 Y HN 0.294 nan 8.280 nan 0.000 0.513 220 T N -0.233 114.572 114.554 0.418 0.000 2.674 220 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 220 T C 1.941 176.753 174.700 0.187 0.000 1.039 220 T CA 1.626 63.918 62.100 0.320 0.000 1.150 220 T CB -0.236 68.784 68.868 0.252 0.000 0.864 220 T HN 0.281 nan 8.240 nan 0.000 0.427 221 R N 0.916 121.480 120.500 0.107 0.000 2.096 221 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 221 R C 2.941 179.282 176.300 0.068 0.000 1.127 221 R CA 1.427 57.562 56.100 0.059 0.000 0.968 221 R CB -0.375 29.931 30.300 0.010 0.000 0.861 221 R HN 0.238 nan 8.270 nan 0.000 0.440 222 S N 0.773 116.520 115.700 0.079 0.000 2.368 222 S HA -0.159 4.310 4.470 -0.000 0.000 0.225 222 S C 1.788 176.386 174.600 -0.004 0.000 1.030 222 S CA 1.165 59.397 58.200 0.053 0.000 0.999 222 S CB -0.085 63.128 63.200 0.023 0.000 0.844 222 S HN 0.295 nan 8.310 nan 0.000 0.459 223 K N 1.213 121.678 120.400 0.108 0.000 2.026 223 K HA -0.060 4.259 4.320 -0.000 0.000 0.208 223 K C 2.316 179.021 176.600 0.176 0.000 1.048 223 K CA 1.137 57.547 56.287 0.205 0.000 0.929 223 K CB -0.363 32.352 32.500 0.358 0.000 0.713 223 K HN 0.289 nan 8.250 nan 0.000 0.439 224 A N 1.225 124.124 122.820 0.132 0.000 1.865 224 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 224 A C 2.348 179.958 177.584 0.043 0.000 1.191 224 A CA 2.218 54.306 52.037 0.085 0.000 0.623 224 A CB -0.966 18.070 19.000 0.060 0.000 0.826 224 A HN 0.496 nan 8.150 nan 0.000 0.444 225 A N -1.744 121.077 122.820 0.001 0.000 1.877 225 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 225 A C 2.020 179.512 177.584 -0.154 0.000 1.186 225 A CA 1.452 53.387 52.037 -0.170 0.000 0.620 225 A CB -0.939 17.895 19.000 -0.277 0.000 0.822 225 A HN 0.753 nan 8.150 nan 0.000 0.443 226 W N -0.129 121.216 121.300 0.075 0.000 2.358 226 W HA -0.083 4.577 4.660 -0.000 0.000 0.303 226 W C 2.395 178.962 176.519 0.081 0.000 1.208 226 W CA 1.397 58.822 57.345 0.133 0.000 1.274 226 W CB -0.073 29.363 29.460 -0.039 0.000 1.138 226 W HN 0.432 nan 8.180 nan 0.000 0.515 227 E N -0.320 120.051 120.200 0.284 0.000 2.072 227 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 227 E C 2.166 178.828 176.600 0.105 0.000 0.985 227 E CA 1.243 57.756 56.400 0.188 0.000 0.801 227 E CB -0.397 29.395 29.700 0.153 0.000 0.750 227 E HN 0.181 nan 8.360 nan 0.000 0.452 228 A N 0.182 123.028 122.820 0.043 0.000 2.239 228 A HA 0.142 4.462 4.320 -0.000 0.000 0.209 228 A C 1.654 179.209 177.584 -0.048 0.000 1.171 228 A CA 0.872 52.901 52.037 -0.015 0.000 0.768 228 A CB -0.582 18.385 19.000 -0.054 0.000 0.790 228 A HN 0.348 nan 8.150 nan 0.000 0.478 229 G N -0.382 108.402 108.800 -0.027 0.000 2.176 229 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 229 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 229 G C 0.717 175.490 174.900 -0.211 0.000 1.024 229 G CA 0.546 45.617 45.100 -0.049 0.000 0.755 229 G HN 0.414 nan 8.290 nan 0.000 0.507 230 K N -0.804 119.341 120.400 -0.424 0.000 2.574 230 K HA 0.108 4.428 4.320 -0.000 0.000 0.193 230 K C 0.857 176.920 176.600 -0.895 0.000 1.035 230 K CA 0.664 56.555 56.287 -0.660 0.000 0.982 230 K CB -0.112 31.901 32.500 -0.812 0.000 0.795 230 K HN 0.550 nan 8.250 nan 0.000 0.491 231 F N -0.922 118.756 119.950 -0.453 0.000 2.735 231 F HA 0.244 4.771 4.527 -0.000 0.000 0.304 231 F C 1.813 177.418 175.800 -0.324 0.000 1.119 231 F CA -0.600 57.090 58.000 -0.515 0.000 1.280 231 F CB 0.077 38.448 39.000 -1.047 0.000 0.994 231 F HN -0.065 nan 8.300 nan 0.000 0.520 232 G N 0.837 109.566 108.800 -0.118 0.000 2.476 232 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.218 232 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.218 232 G C 1.430 176.296 174.900 -0.056 0.000 1.164 232 G CA 1.176 46.248 45.100 -0.047 0.000 0.768 232 G HN 0.286 nan 8.290 nan 0.000 0.560 233 N N -0.522 118.096 118.700 -0.136 0.000 2.353 233 N HA 0.128 4.868 4.740 -0.000 0.000 0.185 233 N C 1.691 177.048 175.510 -0.255 0.000 1.098 233 N CA 0.617 53.580 53.050 -0.145 0.000 0.872 233 N CB 0.423 38.854 38.487 -0.093 0.000 0.970 233 N HN 0.616 nan 8.380 nan 0.000 0.467 234 E N -0.134 119.872 120.200 -0.323 0.000 2.079 234 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 234 E C -0.320 176.259 176.600 -0.036 0.000 0.961 234 E CA 0.323 56.554 56.400 -0.281 0.000 0.823 234 E CB 0.470 30.037 29.700 -0.221 0.000 0.789 234 E HN -0.114 nan 8.360 nan 0.000 0.459 235 V N 3.618 123.543 119.914 0.018 0.000 2.498 235 V HA 0.218 4.338 4.120 -0.000 0.000 0.279 235 V C 0.337 176.488 176.094 0.095 0.000 1.048 235 V CA -0.318 62.038 62.300 0.094 0.000 0.967 235 V CB 0.911 32.864 31.823 0.217 0.000 0.988 235 V HN 0.226 nan 8.190 nan 0.000 0.473 236 I N 4.123 124.744 120.570 0.084 0.000 2.493 236 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 236 I C -2.420 173.743 176.117 0.076 0.000 0.998 236 I CA -2.556 58.788 61.300 0.074 0.000 1.137 236 I CB 1.963 39.995 38.000 0.053 0.000 1.310 236 I HN 0.364 nan 8.210 nan 0.000 0.445 237 P HA 0.111 nan 4.420 nan 0.000 0.272 237 P C -0.634 176.689 177.300 0.038 0.000 1.223 237 P CA -0.163 62.970 63.100 0.055 0.000 0.784 237 P CB 1.755 33.484 31.700 0.050 0.000 0.923 238 V N 0.351 120.282 119.914 0.027 0.000 2.604 238 V HA 0.554 4.674 4.120 -0.000 0.000 0.305 238 V C -0.590 175.510 176.094 0.010 0.000 1.043 238 V CA -0.338 61.973 62.300 0.018 0.000 0.888 238 V CB 1.816 33.649 31.823 0.017 0.000 0.995 238 V HN 0.476 nan 8.190 nan 0.000 0.429 239 T N 5.627 120.187 114.554 0.009 0.000 2.749 239 T HA 0.523 4.872 4.350 -0.000 0.000 0.287 239 T C -0.211 174.490 174.700 0.001 0.000 0.970 239 T CA -0.231 61.871 62.100 0.004 0.000 0.980 239 T CB 1.175 70.046 68.868 0.006 0.000 0.924 239 T HN 0.732 nan 8.240 nan 0.000 0.456 240 V N 4.805 124.716 119.914 -0.004 0.000 2.348 240 V HA 0.294 4.414 4.120 -0.000 0.000 0.270 240 V C 0.527 176.617 176.094 -0.007 0.000 1.037 240 V CA -0.559 61.737 62.300 -0.007 0.000 0.872 240 V CB 0.759 32.575 31.823 -0.012 0.000 1.002 240 V HN 0.931 nan 8.190 nan 0.000 0.464 241 T N 5.129 119.680 114.554 -0.005 0.000 2.749 241 T HA 0.556 4.906 4.350 -0.000 0.000 0.287 241 T C -0.221 174.475 174.700 -0.006 0.000 0.970 241 T CA -0.297 61.800 62.100 -0.005 0.000 0.980 241 T CB 1.401 70.268 68.868 -0.002 0.000 0.924 241 T HN 0.336 nan 8.240 nan 0.000 0.456 242 V N 4.435 124.344 119.914 -0.008 0.000 2.540 242 V HA 0.342 4.462 4.120 -0.000 0.000 0.302 242 V C 0.288 176.377 176.094 -0.007 0.000 1.035 242 V CA -1.237 61.058 62.300 -0.009 0.000 0.873 242 V CB 1.800 33.616 31.823 -0.011 0.000 0.992 242 V HN 0.777 nan 8.190 nan 0.000 0.428 243 K N 3.218 123.614 120.400 -0.007 0.000 2.473 243 K HA 0.288 4.608 4.320 -0.000 0.000 0.277 243 K C 1.266 177.862 176.600 -0.006 0.000 1.052 243 K CA 1.211 57.495 56.287 -0.006 0.000 1.114 243 K CB 0.024 32.521 32.500 -0.005 0.000 0.869 243 K HN 1.106 nan 8.250 nan 0.000 0.481 244 G N 2.634 111.431 108.800 -0.006 0.000 4.677 244 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.215 244 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.215 244 G C 0.028 174.924 174.900 -0.007 0.000 1.506 244 G CA -0.390 44.706 45.100 -0.006 0.000 1.016 244 G HN 0.600 nan 8.290 nan 0.000 0.653 245 Q N 2.378 122.173 119.800 -0.008 0.000 2.492 245 Q HA 0.406 4.746 4.340 -0.000 0.000 0.238 245 Q C -1.850 174.145 176.000 -0.009 0.000 1.045 245 Q CA -0.791 55.007 55.803 -0.009 0.000 0.934 245 Q CB 0.642 29.373 28.738 -0.011 0.000 1.276 245 Q HN 0.464 nan 8.270 nan 0.000 0.521 246 P HA 0.058 nan 4.420 nan 0.000 0.274 246 P C -1.034 176.260 177.300 -0.009 0.000 1.237 246 P CA -0.265 62.830 63.100 -0.008 0.000 0.793 246 P CB 0.519 32.214 31.700 -0.009 0.000 0.977 247 D N -0.080 120.316 120.400 -0.007 0.000 2.399 247 D HA 0.206 4.846 4.640 -0.000 0.000 0.241 247 D C -0.217 176.077 176.300 -0.009 0.000 1.133 247 D CA 0.174 54.169 54.000 -0.007 0.000 0.890 247 D CB 0.400 41.198 40.800 -0.004 0.000 1.201 247 D HN -0.022 nan 8.370 nan 0.000 0.432 248 V N 2.211 122.118 119.914 -0.011 0.000 2.409 248 V HA 0.251 4.371 4.120 -0.000 0.000 0.291 248 V C 0.069 176.156 176.094 -0.011 0.000 1.020 248 V CA -0.879 61.412 62.300 -0.014 0.000 0.848 248 V CB 1.920 33.731 31.823 -0.020 0.000 0.990 248 V HN 0.228 nan 8.190 nan 0.000 0.430 249 V N 5.930 125.837 119.914 -0.011 0.000 2.364 249 V HA 0.301 4.420 4.120 -0.000 0.000 0.272 249 V C 0.012 176.097 176.094 -0.014 0.000 1.036 249 V CA -0.431 61.865 62.300 -0.006 0.000 0.880 249 V CB 1.692 33.516 31.823 0.001 0.000 0.991 249 V HN 0.649 nan 8.190 nan 0.000 0.460 250 V N 6.772 126.678 119.914 -0.013 0.000 2.334 250 V HA 0.289 4.409 4.120 -0.000 0.000 0.267 250 V C 0.867 176.952 176.094 -0.014 0.000 1.040 250 V CA -0.422 61.862 62.300 -0.027 0.000 0.866 250 V CB 0.753 32.560 31.823 -0.026 0.000 1.019 250 V HN 1.038 nan 8.190 nan 0.000 0.468 251 K N 3.299 123.681 120.400 -0.029 0.000 2.402 251 K HA 0.352 4.672 4.320 -0.000 0.000 0.203 251 K C 0.336 176.916 176.600 -0.033 0.000 1.077 251 K CA -0.269 56.027 56.287 0.014 0.000 1.051 251 K CB 0.884 33.407 32.500 0.039 0.000 0.907 251 K HN 0.757 nan 8.250 nan 0.000 0.554 252 E N 0.504 120.564 120.200 -0.234 0.000 2.429 252 E HA 0.247 4.597 4.350 -0.000 0.000 0.276 252 E C -1.465 174.839 176.600 -0.494 0.000 0.953 252 E CA -1.091 54.877 56.400 -0.720 0.000 0.787 252 E CB 0.864 29.845 29.700 -1.197 0.000 1.307 252 E HN -0.138 nan 8.360 nan 0.000 0.458 253 D N 1.283 121.329 120.400 -0.589 0.000 2.493 253 D HA -0.052 4.588 4.640 -0.000 0.000 0.240 253 D C 0.452 176.676 176.300 -0.126 0.000 1.142 253 D CA 0.502 54.404 54.000 -0.165 0.000 0.872 253 D CB 1.290 42.111 40.800 0.034 0.000 1.173 253 D HN 0.665 nan 8.370 nan 0.000 0.467 254 E N 1.738 121.894 120.200 -0.074 0.000 2.122 254 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 254 E C 1.232 177.780 176.600 -0.086 0.000 0.977 254 E CA 0.418 56.755 56.400 -0.106 0.000 0.820 254 E CB 0.273 29.935 29.700 -0.064 0.000 0.770 254 E HN 0.287 nan 8.360 nan 0.000 0.462 255 E N 0.035 120.249 120.200 0.024 0.000 2.106 255 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 255 E C 1.831 178.526 176.600 0.157 0.000 0.984 255 E CA 1.531 57.983 56.400 0.086 0.000 0.806 255 E CB -0.449 29.317 29.700 0.110 0.000 0.750 255 E HN 0.588 nan 8.360 nan 0.000 0.458 256 Y N -0.331 120.022 120.300 0.089 0.000 2.497 256 Y HA 0.087 4.637 4.550 -0.000 0.000 0.292 256 Y C 1.326 177.385 175.900 0.265 0.000 1.137 256 Y CA 0.861 59.094 58.100 0.222 0.000 1.285 256 Y CB -0.147 38.394 38.460 0.135 0.000 0.991 256 Y HN -0.120 nan 8.280 nan 0.000 0.556 257 K N 0.736 120.842 120.400 -0.490 0.000 2.393 257 K HA 0.159 4.479 4.320 -0.000 0.000 0.193 257 K C 0.219 176.710 176.600 -0.182 0.000 1.026 257 K CA 0.046 56.081 56.287 -0.421 0.000 1.064 257 K CB 0.142 32.311 32.500 -0.552 0.000 0.833 257 K HN 0.262 nan 8.250 nan 0.000 0.521 258 R N 1.595 122.057 120.500 -0.062 0.000 3.657 258 R HA 0.207 4.547 4.340 -0.000 0.000 0.220 258 R C -0.876 175.393 176.300 -0.052 0.000 1.548 258 R CA -0.121 55.961 56.100 -0.030 0.000 1.465 258 R CB 0.553 30.867 30.300 0.024 0.000 1.330 258 R HN -0.111 nan 8.270 nan 0.000 0.707 259 V N 0.760 120.574 119.914 -0.166 0.000 3.087 259 V HA 0.359 4.479 4.120 -0.000 0.000 0.306 259 V C -1.745 174.238 176.094 -0.186 0.000 1.187 259 V CA -0.761 61.363 62.300 -0.294 0.000 0.999 259 V CB 2.780 34.171 31.823 -0.719 0.000 1.049 259 V HN 0.431 nan 8.190 nan 0.000 0.431 260 D N 3.885 124.227 120.400 -0.096 0.000 2.336 260 D HA 0.283 4.923 4.640 -0.000 0.000 0.248 260 D C 0.463 176.834 176.300 0.119 0.000 1.326 260 D CA -0.350 53.629 54.000 -0.035 0.000 0.973 260 D CB 1.000 41.781 40.800 -0.033 0.000 1.255 260 D HN 0.297 nan 8.370 nan 0.000 0.558 261 F N 1.671 121.555 119.950 -0.110 0.000 2.154 261 F HA -0.206 4.321 4.527 -0.000 0.000 0.301 261 F C 2.707 178.481 175.800 -0.044 0.000 1.087 261 F CA 1.458 59.413 58.000 -0.075 0.000 1.274 261 F CB -1.134 37.838 39.000 -0.047 0.000 1.009 261 F HN 0.437 nan 8.300 nan 0.000 0.485 262 S N -0.412 115.380 115.700 0.154 0.000 2.382 262 S HA -0.229 4.240 4.470 -0.000 0.000 0.228 262 S C 2.073 176.701 174.600 0.047 0.000 1.027 262 S CA 1.328 59.574 58.200 0.077 0.000 0.991 262 S CB -0.547 62.681 63.200 0.046 0.000 0.823 262 S HN 0.451 nan 8.310 nan 0.000 0.469 263 K N 0.588 121.013 120.400 0.041 0.000 2.228 263 K HA 0.099 4.419 4.320 -0.000 0.000 0.202 263 K C 1.887 178.499 176.600 0.020 0.000 1.051 263 K CA 0.762 57.062 56.287 0.022 0.000 0.960 263 K CB -0.260 32.247 32.500 0.011 0.000 0.743 263 K HN 0.292 nan 8.250 nan 0.000 0.458 264 V N 2.475 122.405 119.914 0.026 0.000 2.250 264 V HA -0.233 3.886 4.120 -0.000 0.000 0.253 264 V C -1.035 175.066 176.094 0.012 0.000 1.065 264 V CA 2.248 64.556 62.300 0.014 0.000 1.039 264 V CB -1.112 30.702 31.823 -0.015 0.000 0.647 264 V HN 0.410 nan 8.190 nan 0.000 0.446 265 P HA -0.048 nan 4.420 nan 0.000 0.245 265 P C 1.006 178.312 177.300 0.009 0.000 1.212 265 P CA 1.034 64.139 63.100 0.008 0.000 0.774 265 P CB -0.034 31.669 31.700 0.004 0.000 0.999 266 K N -0.706 119.700 120.400 0.010 0.000 2.379 266 K HA 0.186 4.506 4.320 -0.000 0.000 0.194 266 K C 0.987 177.590 176.600 0.004 0.000 1.031 266 K CA -0.100 56.191 56.287 0.007 0.000 1.037 266 K CB 0.111 32.615 32.500 0.006 0.000 0.824 266 K HN 0.215 nan 8.250 nan 0.000 0.516 267 L N 2.109 123.336 121.223 0.006 0.000 2.452 267 L HA 0.066 4.406 4.340 -0.000 0.000 0.267 267 L C 0.451 177.319 176.870 -0.004 0.000 1.188 267 L CA -0.149 54.692 54.840 0.002 0.000 0.821 267 L CB 0.309 42.373 42.059 0.009 0.000 1.102 267 L HN -0.057 nan 8.230 nan 0.000 0.470 268 K N 1.022 121.413 120.400 -0.016 0.000 2.143 268 K HA 0.241 4.561 4.320 -0.000 0.000 0.272 268 K C -0.083 176.493 176.600 -0.040 0.000 1.001 268 K CA -0.457 55.815 56.287 -0.024 0.000 0.915 268 K CB 1.223 33.705 32.500 -0.030 0.000 1.047 268 K HN 0.633 nan 8.250 nan 0.000 0.458 269 T N -1.287 113.247 114.554 -0.032 0.000 2.784 269 T HA 0.093 4.443 4.350 -0.000 0.000 0.291 269 T C 1.533 176.168 174.700 -0.108 0.000 0.942 269 T CA -0.710 61.367 62.100 -0.038 0.000 1.161 269 T CB 0.002 68.870 68.868 0.001 0.000 0.885 269 T HN 0.310 nan 8.240 nan 0.000 0.534 270 V N 0.467 120.235 119.914 -0.243 0.000 2.453 270 V HA 0.050 4.169 4.120 -0.000 0.000 0.247 270 V C 1.735 177.524 176.094 -0.508 0.000 1.048 270 V CA 0.908 62.925 62.300 -0.471 0.000 1.049 270 V CB -1.248 30.105 31.823 -0.784 0.000 0.672 270 V HN 0.789 nan 8.190 nan 0.000 0.457 271 F N 0.232 120.153 119.950 -0.047 0.000 2.656 271 F HA 0.414 4.941 4.527 -0.000 0.000 0.291 271 F C 1.365 177.145 175.800 -0.033 0.000 1.122 271 F CA 0.117 58.080 58.000 -0.062 0.000 1.427 271 F CB 0.208 39.160 39.000 -0.080 0.000 1.125 271 F HN 0.195 nan 8.300 nan 0.000 0.583 272 Q N 0.391 120.257 119.800 0.110 0.000 2.295 272 Q HA 0.215 4.555 4.340 -0.000 0.000 0.259 272 Q C 0.125 176.140 176.000 0.025 0.000 0.966 272 Q CA -0.250 55.591 55.803 0.063 0.000 0.763 272 Q CB 1.702 30.476 28.738 0.060 0.000 1.283 272 Q HN 0.137 nan 8.270 nan 0.000 0.445 273 K N 1.159 121.568 120.400 0.014 0.000 2.031 273 K HA 0.020 4.340 4.320 -0.000 0.000 0.205 273 K C 0.193 176.796 176.600 0.006 0.000 1.049 273 K CA 0.685 56.974 56.287 0.003 0.000 0.939 273 K CB 0.302 32.802 32.500 0.000 0.000 0.717 273 K HN 0.443 nan 8.250 nan 0.000 0.438 274 E N 2.128 122.333 120.200 0.009 0.000 2.159 274 E HA -0.009 4.340 4.350 -0.000 0.000 0.272 274 E C -0.782 175.822 176.600 0.007 0.000 1.138 274 E CA 0.065 56.469 56.400 0.007 0.000 0.915 274 E CB 0.315 30.019 29.700 0.007 0.000 1.028 274 E HN 0.194 nan 8.360 nan 0.000 0.423 275 N N 1.642 120.345 118.700 0.005 0.000 2.727 275 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 275 N C 0.040 175.553 175.510 0.006 0.000 1.048 275 N CA 1.013 54.065 53.050 0.004 0.000 0.714 275 N CB -1.078 37.409 38.487 0.000 0.000 0.959 275 N HN 0.584 nan 8.380 nan 0.000 0.544 276 G N -1.331 107.476 108.800 0.011 0.000 2.599 276 G HA2 0.451 4.411 3.960 -0.000 0.000 0.264 276 G HA3 0.451 4.411 3.960 -0.000 0.000 0.264 276 G C 0.989 175.902 174.900 0.021 0.000 1.200 276 G CA 0.305 45.417 45.100 0.020 0.000 0.896 276 G HN 0.365 nan 8.290 nan 0.000 0.536 277 T N -4.113 110.460 114.554 0.033 0.000 3.051 277 T HA 0.175 4.525 4.350 -0.000 0.000 0.254 277 T C 0.381 175.123 174.700 0.070 0.000 0.916 277 T CA 0.019 62.142 62.100 0.037 0.000 0.894 277 T CB 0.082 68.961 68.868 0.019 0.000 1.251 277 T HN 0.308 nan 8.240 nan 0.000 0.517 278 V N 3.882 123.859 119.914 0.105 0.000 2.465 278 V HA 0.662 4.782 4.120 -0.000 0.000 0.279 278 V C 0.657 176.852 176.094 0.168 0.000 1.045 278 V CA -0.045 62.371 62.300 0.194 0.000 0.938 278 V CB 0.985 32.979 31.823 0.285 0.000 0.986 278 V HN 0.785 nan 8.190 nan 0.000 0.467 279 T N 1.602 116.254 114.554 0.164 0.000 2.858 279 T HA 0.680 5.030 4.350 -0.000 0.000 0.285 279 T C 1.076 175.840 174.700 0.107 0.000 1.052 279 T CA -0.021 62.123 62.100 0.073 0.000 1.009 279 T CB 1.940 70.843 68.868 0.059 0.000 1.241 279 T HN 0.631 nan 8.240 nan 0.000 0.542 280 A N 0.368 123.210 122.820 0.037 0.000 1.978 280 A HA 0.241 4.561 4.320 -0.000 0.000 0.220 280 A C 2.508 180.172 177.584 0.135 0.000 1.170 280 A CA 2.059 54.137 52.037 0.068 0.000 0.636 280 A CB -1.514 17.500 19.000 0.024 0.000 0.810 280 A HN 1.281 nan 8.150 nan 0.000 0.448 281 A N 1.193 124.092 122.820 0.132 0.000 1.897 281 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 281 A C 1.689 179.423 177.584 0.252 0.000 1.181 281 A CA 1.748 53.894 52.037 0.182 0.000 0.620 281 A CB -0.597 18.471 19.000 0.114 0.000 0.821 281 A HN 0.751 nan 8.150 nan 0.000 0.443 282 N N -0.348 118.481 118.700 0.215 0.000 2.336 282 N HA 0.371 5.111 4.740 -0.000 0.000 0.189 282 N C 0.213 175.885 175.510 0.271 0.000 1.113 282 N CA 0.641 53.834 53.050 0.239 0.000 0.858 282 N CB -0.121 38.489 38.487 0.204 0.000 0.970 282 N HN 0.396 nan 8.380 nan 0.000 0.471 283 A N 0.203 123.189 122.820 0.276 0.000 2.294 283 A HA 0.672 4.992 4.320 -0.000 0.000 0.330 283 A C 0.426 178.048 177.584 0.063 0.000 1.133 283 A CA -0.520 51.664 52.037 0.245 0.000 0.836 283 A CB 0.496 19.765 19.000 0.447 0.000 1.190 283 A HN 0.399 nan 8.150 nan 0.000 0.492 284 S N 0.258 115.874 115.700 -0.141 0.000 2.587 284 S HA 0.443 4.913 4.470 -0.000 0.000 0.260 284 S C 0.530 175.135 174.600 0.008 0.000 1.353 284 S CA 0.320 58.475 58.200 -0.075 0.000 0.995 284 S CB 0.144 63.275 63.200 -0.116 0.000 0.912 284 S HN 1.338 nan 8.310 nan 0.000 0.568 285 T N -1.199 113.383 114.554 0.046 0.000 2.919 285 T HA 0.638 4.987 4.350 -0.000 0.000 0.282 285 T C -0.149 174.556 174.700 0.009 0.000 1.020 285 T CA -1.183 60.945 62.100 0.048 0.000 0.994 285 T CB 0.233 69.149 68.868 0.080 0.000 1.180 285 T HN 0.566 nan 8.240 nan 0.000 0.566 286 L N 1.633 122.825 121.223 -0.052 0.000 2.292 286 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 286 L C -0.265 176.623 176.870 0.031 0.000 1.065 286 L CA -0.698 54.065 54.840 -0.129 0.000 0.806 286 L CB 0.490 42.257 42.059 -0.485 0.000 1.175 286 L HN 0.738 nan 8.230 nan 0.000 0.431 287 N N 0.664 119.394 118.700 0.050 0.000 2.825 287 N HA 0.466 5.206 4.740 -0.000 0.000 0.253 287 N C -1.899 173.658 175.510 0.079 0.000 1.426 287 N CA -0.905 52.203 53.050 0.096 0.000 0.851 287 N CB 1.693 40.224 38.487 0.073 0.000 1.470 287 N HN 0.414 nan 8.380 nan 0.000 0.517 288 D N -0.340 120.104 120.400 0.072 0.000 2.362 288 D HA 0.750 5.390 4.640 -0.000 0.000 0.247 288 D C -0.178 176.144 176.300 0.037 0.000 1.050 288 D CA -0.279 53.750 54.000 0.049 0.000 0.839 288 D CB 1.830 42.656 40.800 0.043 0.000 1.283 288 D HN 0.668 nan 8.370 nan 0.000 0.477 289 G N -0.661 108.158 108.800 0.030 0.000 2.338 289 G HA2 0.617 4.577 3.960 -0.000 0.000 0.295 289 G HA3 0.617 4.577 3.960 -0.000 0.000 0.295 289 G C -1.981 172.937 174.900 0.030 0.000 1.461 289 G CA -0.367 44.752 45.100 0.032 0.000 0.817 289 G HN 0.604 nan 8.290 nan 0.000 0.556 290 A N -1.001 121.839 122.820 0.033 0.000 2.515 290 A HA 1.094 5.414 4.320 -0.000 0.000 0.298 290 A C -0.267 177.342 177.584 0.042 0.000 1.059 290 A CA 0.183 52.240 52.037 0.034 0.000 0.698 290 A CB 1.648 20.665 19.000 0.029 0.000 1.289 290 A HN 2.535 nan 8.150 nan 0.000 0.404 291 A N 0.142 122.989 122.820 0.045 0.000 2.475 291 A HA 0.981 5.301 4.320 -0.000 0.000 0.301 291 A C -0.384 177.229 177.584 0.049 0.000 1.059 291 A CA 0.004 52.073 52.037 0.054 0.000 0.710 291 A CB 1.530 20.567 19.000 0.062 0.000 1.288 291 A HN 2.567 nan 8.150 nan 0.000 0.408 292 A N 0.982 123.834 122.820 0.053 0.000 2.486 292 A HA 0.772 5.092 4.320 -0.000 0.000 0.300 292 A C -1.752 175.859 177.584 0.045 0.000 1.048 292 A CA -0.373 51.690 52.037 0.043 0.000 0.696 292 A CB 1.075 20.096 19.000 0.035 0.000 1.278 292 A HN 0.867 nan 8.150 nan 0.000 0.405 293 L N 1.340 122.581 121.223 0.030 0.000 2.365 293 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 293 L C -0.261 176.611 176.870 0.003 0.000 1.000 293 L CA -0.523 54.330 54.840 0.021 0.000 0.819 293 L CB 1.981 44.048 42.059 0.013 0.000 1.284 293 L HN 0.439 nan 8.230 nan 0.000 0.418 294 V N 4.600 124.515 119.914 0.001 0.000 2.432 294 V HA 0.389 4.509 4.120 -0.000 0.000 0.271 294 V C 0.056 176.138 176.094 -0.019 0.000 1.046 294 V CA -0.336 61.957 62.300 -0.011 0.000 0.945 294 V CB 0.897 32.716 31.823 -0.006 0.000 0.992 294 V HN 0.466 nan 8.190 nan 0.000 0.471 295 L N 6.987 128.193 121.223 -0.028 0.000 2.346 295 L HA 0.817 5.157 4.340 -0.000 0.000 0.274 295 L C -0.194 176.658 176.870 -0.029 0.000 1.007 295 L CA -0.514 54.309 54.840 -0.028 0.000 0.818 295 L CB 1.751 43.791 42.059 -0.032 0.000 1.284 295 L HN 0.720 nan 8.230 nan 0.000 0.424 296 M N -0.029 119.558 119.600 -0.021 0.000 2.644 296 M HA 0.535 5.015 4.480 -0.000 0.000 0.273 296 M C -0.468 175.825 176.300 -0.012 0.000 1.253 296 M CA -0.770 54.519 55.300 -0.019 0.000 0.852 296 M CB 2.149 34.738 32.600 -0.018 0.000 1.708 296 M HN 0.500 nan 8.290 nan 0.000 0.471 297 T N -0.538 114.010 114.554 -0.011 0.000 2.860 297 T HA 0.519 4.869 4.350 -0.000 0.000 0.299 297 T C 1.202 175.897 174.700 -0.009 0.000 1.045 297 T CA -0.050 62.045 62.100 -0.008 0.000 1.071 297 T CB 1.045 69.909 68.868 -0.008 0.000 0.985 297 T HN 0.850 nan 8.240 nan 0.000 0.537 298 A N 1.526 124.341 122.820 -0.009 0.000 1.892 298 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 298 A C 2.058 179.635 177.584 -0.010 0.000 1.188 298 A CA 1.884 53.914 52.037 -0.011 0.000 0.631 298 A CB -1.066 17.928 19.000 -0.011 0.000 0.822 298 A HN 0.919 nan 8.150 nan 0.000 0.447 299 D N 0.092 120.486 120.400 -0.009 0.000 2.123 299 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 299 D C 2.219 178.515 176.300 -0.007 0.000 0.992 299 D CA 1.633 55.628 54.000 -0.007 0.000 0.833 299 D CB -0.551 40.245 40.800 -0.006 0.000 0.954 299 D HN 0.456 nan 8.370 nan 0.000 0.455 300 A N 1.094 123.909 122.820 -0.008 0.000 1.902 300 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 300 A C 2.343 179.921 177.584 -0.009 0.000 1.181 300 A CA 2.318 54.350 52.037 -0.008 0.000 0.623 300 A CB -0.733 18.262 19.000 -0.009 0.000 0.818 300 A HN 0.247 nan 8.150 nan 0.000 0.443 301 A N -0.175 122.638 122.820 -0.011 0.000 1.933 301 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 301 A C 2.100 179.677 177.584 -0.011 0.000 1.175 301 A CA 1.869 53.899 52.037 -0.012 0.000 0.628 301 A CB -0.398 18.593 19.000 -0.015 0.000 0.814 301 A HN 0.577 nan 8.150 nan 0.000 0.444 302 K N -0.765 119.629 120.400 -0.010 0.000 2.025 302 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 302 K C 2.369 178.965 176.600 -0.008 0.000 1.049 302 K CA 1.417 57.699 56.287 -0.009 0.000 0.933 302 K CB -0.221 32.273 32.500 -0.009 0.000 0.714 302 K HN 0.467 nan 8.250 nan 0.000 0.438 303 R N 1.278 121.774 120.500 -0.007 0.000 2.103 303 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 303 R C 1.819 178.116 176.300 -0.005 0.000 1.142 303 R CA 1.423 57.520 56.100 -0.005 0.000 0.960 303 R CB -0.212 30.085 30.300 -0.005 0.000 0.858 303 R HN 0.152 nan 8.270 nan 0.000 0.439 304 L N 0.537 121.756 121.223 -0.006 0.000 2.591 304 L HA 0.073 4.413 4.340 -0.000 0.000 0.228 304 L C 0.254 177.120 176.870 -0.006 0.000 1.133 304 L CA 0.095 54.932 54.840 -0.006 0.000 0.880 304 L CB -0.387 41.668 42.059 -0.006 0.000 1.033 304 L HN 0.379 nan 8.230 nan 0.000 0.450 305 N N 0.402 119.098 118.700 -0.007 0.000 2.705 305 N HA -0.171 4.569 4.740 -0.000 0.000 0.255 305 N C -0.582 174.923 175.510 -0.008 0.000 1.008 305 N CA 0.564 53.609 53.050 -0.007 0.000 0.742 305 N CB -0.380 38.104 38.487 -0.006 0.000 0.906 305 N HN 0.233 nan 8.380 nan 0.000 0.541 306 V N -1.914 117.994 119.914 -0.009 0.000 2.715 306 V HA 0.798 4.918 4.120 -0.000 0.000 0.310 306 V C 0.629 176.714 176.094 -0.014 0.000 1.054 306 V CA -0.254 62.040 62.300 -0.010 0.000 0.928 306 V CB 1.898 33.715 31.823 -0.009 0.000 1.007 306 V HN 0.264 nan 8.190 nan 0.000 0.437 307 T N 1.848 116.392 114.554 -0.016 0.000 2.733 307 T HA 0.631 4.981 4.350 -0.000 0.000 0.294 307 T C -2.319 172.364 174.700 -0.029 0.000 0.956 307 T CA -1.545 60.542 62.100 -0.022 0.000 0.987 307 T CB 0.665 69.520 68.868 -0.022 0.000 0.920 307 T HN 0.718 nan 8.240 nan 0.000 0.470 308 P HA 0.217 nan 4.420 nan 0.000 0.269 308 P C 0.304 177.570 177.300 -0.057 0.000 1.215 308 P CA -0.658 62.417 63.100 -0.041 0.000 0.780 308 P CB 0.566 32.244 31.700 -0.038 0.000 0.898 309 L N 0.813 121.991 121.223 -0.075 0.000 2.221 309 L HA 0.377 4.716 4.340 -0.000 0.000 0.202 309 L C 0.996 177.804 176.870 -0.104 0.000 1.074 309 L CA 1.169 55.946 54.840 -0.105 0.000 0.795 309 L CB -1.004 40.956 42.059 -0.164 0.000 0.960 309 L HN 0.484 nan 8.230 nan 0.000 0.458 310 A N -1.135 121.633 122.820 -0.088 0.000 2.610 310 A HA 0.657 4.977 4.320 -0.000 0.000 0.291 310 A C -0.874 176.681 177.584 -0.048 0.000 1.086 310 A CA -0.640 51.351 52.037 -0.077 0.000 0.677 310 A CB 1.185 20.134 19.000 -0.084 0.000 1.278 310 A HN -0.002 nan 8.150 nan 0.000 0.414 311 R N 1.165 121.643 120.500 -0.037 0.000 2.393 311 R HA 0.657 4.997 4.340 -0.000 0.000 0.310 311 R C -1.311 175.001 176.300 0.020 0.000 0.968 311 R CA -0.569 55.525 56.100 -0.010 0.000 0.867 311 R CB 0.663 30.954 30.300 -0.014 0.000 1.124 311 R HN 0.655 nan 8.270 nan 0.000 0.450 312 I N 5.527 126.124 120.570 0.044 0.000 2.379 312 I HA 0.023 4.193 4.170 -0.000 0.000 0.290 312 I C 0.876 177.044 176.117 0.085 0.000 1.063 312 I CA -0.258 61.096 61.300 0.091 0.000 1.351 312 I CB 1.622 39.706 38.000 0.139 0.000 1.410 312 I HN 0.576 nan 8.210 nan 0.000 0.505 313 V N 6.100 126.059 119.914 0.073 0.000 2.521 313 V HA 0.322 4.442 4.120 -0.000 0.000 0.239 313 V C 0.733 176.785 176.094 -0.070 0.000 1.053 313 V CA 0.996 63.310 62.300 0.025 0.000 1.073 313 V CB 0.127 31.991 31.823 0.068 0.000 0.746 313 V HN 0.847 nan 8.190 nan 0.000 0.476 314 A N -0.093 122.677 122.820 -0.083 0.000 2.601 314 A HA 0.799 5.119 4.320 -0.000 0.000 0.291 314 A C -1.625 175.887 177.584 -0.120 0.000 1.075 314 A CA -0.450 51.420 52.037 -0.279 0.000 0.671 314 A CB 1.495 20.369 19.000 -0.210 0.000 1.277 314 A HN 0.447 nan 8.150 nan 0.000 0.417 315 F N -2.453 117.497 119.950 0.001 0.000 2.713 315 F HA 0.955 5.482 4.527 -0.000 0.000 0.311 315 F C -0.312 175.498 175.800 0.016 0.000 1.141 315 F CA -0.731 57.275 58.000 0.010 0.000 0.939 315 F CB 1.238 40.249 39.000 0.018 0.000 1.325 315 F HN 1.569 nan 8.300 nan 0.000 0.453 316 A N 0.364 123.359 122.820 0.292 0.000 2.608 316 A HA 0.670 4.990 4.320 -0.000 0.000 0.292 316 A C -2.269 175.414 177.584 0.165 0.000 1.066 316 A CA -0.789 51.361 52.037 0.188 0.000 0.676 316 A CB 1.676 20.736 19.000 0.100 0.000 1.277 316 A HN 0.756 nan 8.150 nan 0.000 0.413 317 D N 0.245 120.723 120.400 0.130 0.000 2.481 317 D HA 0.686 5.326 4.640 -0.000 0.000 0.244 317 D C -0.304 176.051 176.300 0.093 0.000 1.057 317 D CA 0.115 54.177 54.000 0.104 0.000 0.848 317 D CB 2.232 43.083 40.800 0.084 0.000 1.388 317 D HN 0.896 nan 8.370 nan 0.000 0.475 318 A N 0.481 123.361 122.820 0.100 0.000 2.469 318 A HA 0.876 5.196 4.320 -0.000 0.000 0.299 318 A C -1.389 176.249 177.584 0.090 0.000 1.098 318 A CA -0.613 51.483 52.037 0.098 0.000 0.737 318 A CB 2.037 21.130 19.000 0.154 0.000 1.312 318 A HN 0.587 nan 8.150 nan 0.000 0.414 319 A N 0.187 123.043 122.820 0.059 0.000 2.515 319 A HA 0.826 5.146 4.320 -0.000 0.000 0.298 319 A C -0.317 177.281 177.584 0.023 0.000 1.059 319 A CA 0.047 52.116 52.037 0.053 0.000 0.698 319 A CB 1.153 20.171 19.000 0.029 0.000 1.289 319 A HN 2.326 nan 8.150 nan 0.000 0.404 320 V N -1.529 118.413 119.914 0.046 0.000 3.105 320 V HA 0.692 4.811 4.120 -0.000 0.000 0.311 320 V C -0.233 175.867 176.094 0.011 0.000 1.282 320 V CA -1.089 61.222 62.300 0.017 0.000 1.065 320 V CB 0.985 32.849 31.823 0.068 0.000 1.136 320 V HN 0.785 nan 8.190 nan 0.000 0.469 321 E N 1.567 121.766 120.200 -0.003 0.000 2.529 321 E HA 0.099 4.448 4.350 -0.000 0.000 0.259 321 E C -1.810 174.811 176.600 0.036 0.000 0.966 321 E CA -1.056 55.336 56.400 -0.013 0.000 0.937 321 E CB 0.987 30.678 29.700 -0.014 0.000 0.923 321 E HN 0.493 nan 8.360 nan 0.000 0.468 322 P HA -0.210 nan 4.420 nan 0.000 0.217 322 P C 1.532 178.963 177.300 0.218 0.000 1.158 322 P CA 1.130 64.317 63.100 0.145 0.000 0.887 322 P CB 0.087 31.896 31.700 0.182 0.000 0.792 323 I N -0.860 119.787 120.570 0.128 0.000 2.454 323 I HA -0.186 3.984 4.170 -0.000 0.000 0.254 323 I C 0.598 176.678 176.117 -0.063 0.000 1.156 323 I CA 1.584 62.925 61.300 0.069 0.000 1.433 323 I CB -0.112 37.901 38.000 0.023 0.000 1.082 323 I HN -0.135 nan 8.210 nan 0.000 0.432 324 D N 0.411 120.792 120.400 -0.031 0.000 2.336 324 D HA -0.032 4.608 4.640 -0.000 0.000 0.228 324 D C 1.695 177.942 176.300 -0.088 0.000 1.120 324 D CA 0.095 54.037 54.000 -0.095 0.000 0.839 324 D CB -0.147 40.644 40.800 -0.016 0.000 0.932 324 D HN 0.455 nan 8.370 nan 0.000 0.509 325 F N 1.006 120.980 119.950 0.039 0.000 2.184 325 F HA -0.064 4.463 4.527 -0.000 0.000 0.301 325 F C -1.073 174.759 175.800 0.053 0.000 1.076 325 F CA 0.528 58.561 58.000 0.055 0.000 1.295 325 F CB -2.087 36.950 39.000 0.062 0.000 1.026 325 F HN -0.036 nan 8.300 nan 0.000 0.494 326 P HA -0.172 nan 4.420 nan 0.000 0.218 326 P C 1.750 179.014 177.300 -0.060 0.000 1.146 326 P CA 2.176 65.154 63.100 -0.202 0.000 0.813 326 P CB -0.345 31.126 31.700 -0.382 0.000 0.778 327 I N -5.769 114.766 120.570 -0.058 0.000 3.860 327 I HA 0.297 4.467 4.170 -0.000 0.000 0.319 327 I C 1.836 177.955 176.117 0.003 0.000 1.279 327 I CA 0.281 61.548 61.300 -0.056 0.000 1.220 327 I CB -0.504 37.460 38.000 -0.061 0.000 1.027 327 I HN -0.251 nan 8.210 nan 0.000 0.428 328 A N 2.557 125.457 122.820 0.135 0.000 1.940 328 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 328 A C 0.152 177.826 177.584 0.150 0.000 1.176 328 A CA 1.668 53.839 52.037 0.224 0.000 0.631 328 A CB -1.903 17.227 19.000 0.217 0.000 0.814 328 A HN 0.407 nan 8.150 nan 0.000 0.446 329 P HA -0.107 nan 4.420 nan 0.000 0.219 329 P C 1.573 178.890 177.300 0.028 0.000 1.146 329 P CA 1.187 64.336 63.100 0.080 0.000 0.808 329 P CB -0.158 31.588 31.700 0.077 0.000 0.779 330 V N -1.366 118.485 119.914 -0.105 0.000 2.255 330 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 330 V C 2.162 178.145 176.094 -0.184 0.000 1.051 330 V CA 1.979 64.139 62.300 -0.233 0.000 1.018 330 V CB -1.594 29.927 31.823 -0.504 0.000 0.641 330 V HN 0.040 nan 8.190 nan 0.000 0.445 331 Y N 0.748 121.076 120.300 0.047 0.000 2.200 331 Y HA -0.069 4.481 4.550 -0.000 0.000 0.290 331 Y C 2.548 178.481 175.900 0.054 0.000 1.137 331 Y CA 1.009 59.135 58.100 0.043 0.000 1.163 331 Y CB -1.281 37.198 38.460 0.032 0.000 0.988 331 Y HN 0.172 nan 8.280 nan 0.000 0.518 332 A N 0.364 123.305 122.820 0.200 0.000 1.883 332 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 332 A C 2.503 180.162 177.584 0.124 0.000 1.186 332 A CA 2.106 54.232 52.037 0.149 0.000 0.624 332 A CB -1.312 17.770 19.000 0.137 0.000 0.822 332 A HN 0.408 nan 8.150 nan 0.000 0.444 333 A N -0.658 122.240 122.820 0.128 0.000 1.902 333 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 333 A C 2.449 180.104 177.584 0.118 0.000 1.181 333 A CA 2.161 54.286 52.037 0.146 0.000 0.623 333 A CB -0.848 18.311 19.000 0.265 0.000 0.818 333 A HN 0.466 nan 8.150 nan 0.000 0.443 334 S N -0.543 115.225 115.700 0.113 0.000 2.368 334 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 334 S C 2.009 176.651 174.600 0.071 0.000 1.029 334 S CA 1.670 59.927 58.200 0.094 0.000 0.988 334 S CB -0.405 62.856 63.200 0.102 0.000 0.838 334 S HN 0.572 nan 8.310 nan 0.000 0.462 335 M N 0.794 120.443 119.600 0.082 0.000 2.073 335 M HA -0.138 4.341 4.480 -0.000 0.000 0.258 335 M C 2.137 178.447 176.300 0.017 0.000 1.070 335 M CA 1.412 56.744 55.300 0.053 0.000 1.103 335 M CB -0.726 31.914 32.600 0.067 0.000 1.321 335 M HN 0.156 nan 8.290 nan 0.000 0.405 336 V N 0.513 120.437 119.914 0.017 0.000 2.343 336 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 336 V C 2.253 178.311 176.094 -0.060 0.000 1.051 336 V CA 1.610 63.895 62.300 -0.025 0.000 1.036 336 V CB -0.654 31.161 31.823 -0.013 0.000 0.654 336 V HN 0.454 nan 8.190 nan 0.000 0.451 337 L N -0.365 120.833 121.223 -0.042 0.000 2.017 337 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 337 L C 2.608 179.443 176.870 -0.057 0.000 1.073 337 L CA 1.962 56.762 54.840 -0.066 0.000 0.745 337 L CB -0.605 41.442 42.059 -0.019 0.000 0.894 337 L HN 0.271 nan 8.230 nan 0.000 0.432 338 K N 0.115 120.501 120.400 -0.024 0.000 2.032 338 K HA -0.277 4.043 4.320 -0.000 0.000 0.209 338 K C 1.849 178.426 176.600 -0.038 0.000 1.048 338 K CA 2.100 58.374 56.287 -0.021 0.000 0.927 338 K CB -0.126 32.374 32.500 0.000 0.000 0.712 338 K HN 0.169 nan 8.250 nan 0.000 0.441 339 D N -0.259 120.113 120.400 -0.046 0.000 2.123 339 D HA -0.137 4.502 4.640 -0.000 0.000 0.196 339 D C 1.548 177.803 176.300 -0.076 0.000 0.992 339 D CA 1.228 55.192 54.000 -0.061 0.000 0.833 339 D CB 0.161 40.916 40.800 -0.075 0.000 0.954 339 D HN 0.074 nan 8.370 nan 0.000 0.455 340 V N -0.692 119.166 119.914 -0.094 0.000 3.235 340 V HA 0.223 4.343 4.120 -0.000 0.000 0.259 340 V C 1.585 177.619 176.094 -0.099 0.000 1.133 340 V CA 0.678 62.913 62.300 -0.109 0.000 1.128 340 V CB -0.270 31.457 31.823 -0.160 0.000 0.757 340 V HN 0.468 nan 8.190 nan 0.000 0.469 341 G N 1.065 109.815 108.800 -0.085 0.000 2.256 341 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.272 341 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.272 341 G C -0.169 174.680 174.900 -0.086 0.000 1.076 341 G CA 0.405 45.464 45.100 -0.067 0.000 0.882 341 G HN 0.427 nan 8.290 nan 0.000 0.497 342 L N -1.386 119.763 121.223 -0.123 0.000 2.331 342 L HA 0.736 5.076 4.340 -0.000 0.000 0.268 342 L C 0.727 177.549 176.870 -0.080 0.000 1.015 342 L CA -1.098 53.655 54.840 -0.146 0.000 0.807 342 L CB 1.448 43.327 42.059 -0.300 0.000 1.293 342 L HN 0.084 nan 8.230 nan 0.000 0.451 343 K N -0.143 120.226 120.400 -0.052 0.000 2.281 343 K HA 0.273 4.593 4.320 -0.000 0.000 0.242 343 K C 0.483 177.111 176.600 0.048 0.000 0.971 343 K CA -0.837 55.454 56.287 0.006 0.000 0.834 343 K CB 2.045 34.556 32.500 0.018 0.000 1.181 343 K HN 0.431 nan 8.250 nan 0.000 0.435 344 K N 0.524 121.000 120.400 0.126 0.000 2.113 344 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 344 K C 0.727 177.491 176.600 0.272 0.000 1.047 344 K CA 1.805 58.266 56.287 0.289 0.000 0.928 344 K CB -0.043 32.636 32.500 0.298 0.000 0.716 344 K HN 0.437 nan 8.250 nan 0.000 0.446 345 E N 1.370 121.662 120.200 0.154 0.000 2.265 345 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 345 E C 1.395 178.061 176.600 0.110 0.000 0.996 345 E CA 1.223 57.701 56.400 0.129 0.000 0.832 345 E CB -0.085 29.663 29.700 0.081 0.000 0.756 345 E HN 0.377 nan 8.360 nan 0.000 0.491 346 D N -0.011 120.434 120.400 0.074 0.000 2.312 346 D HA -0.063 4.577 4.640 -0.000 0.000 0.211 346 D C 0.203 176.547 176.300 0.072 0.000 0.964 346 D CA 0.458 54.496 54.000 0.062 0.000 0.877 346 D CB 0.206 40.998 40.800 -0.013 0.000 0.924 346 D HN 0.142 nan 8.370 nan 0.000 0.515 347 I N 1.381 121.961 120.570 0.016 0.000 2.396 347 I HA 0.084 4.253 4.170 -0.000 0.000 0.289 347 I C 1.443 177.568 176.117 0.013 0.000 1.056 347 I CA -0.424 60.808 61.300 -0.114 0.000 1.365 347 I CB 0.791 38.439 38.000 -0.585 0.000 1.407 347 I HN -0.191 nan 8.210 nan 0.000 0.509 348 A N 7.098 129.922 122.820 0.007 0.000 1.930 348 A HA 0.100 4.419 4.320 -0.000 0.000 0.215 348 A C 1.055 178.687 177.584 0.080 0.000 1.176 348 A CA 0.803 52.871 52.037 0.051 0.000 0.632 348 A CB 0.215 19.227 19.000 0.021 0.000 0.819 348 A HN 0.697 nan 8.150 nan 0.000 0.445 349 M N -0.853 118.746 119.600 -0.000 0.000 2.271 349 M HA 0.473 4.952 4.480 -0.000 0.000 0.285 349 M C -2.373 173.920 176.300 -0.011 0.000 1.059 349 M CA -0.502 54.843 55.300 0.075 0.000 0.940 349 M CB 1.555 34.181 32.600 0.043 0.000 1.636 349 M HN 0.323 nan 8.290 nan 0.000 0.460 350 W N 3.018 124.353 121.300 0.059 0.000 2.573 350 W HA 0.475 5.135 4.660 -0.000 0.000 0.326 350 W C -0.291 176.272 176.519 0.074 0.000 1.049 350 W CA -0.308 57.073 57.345 0.059 0.000 1.220 350 W CB 1.147 30.634 29.460 0.046 0.000 1.373 350 W HN 0.373 nan 8.180 nan 0.000 0.507 351 E N 2.726 123.094 120.200 0.280 0.000 2.149 351 E HA 0.303 4.653 4.350 -0.000 0.000 0.255 351 E C -1.203 175.517 176.600 0.199 0.000 0.888 351 E CA -0.607 55.921 56.400 0.214 0.000 0.742 351 E CB 1.732 31.532 29.700 0.166 0.000 1.164 351 E HN 0.156 nan 8.360 nan 0.000 0.422 352 V N 3.666 123.689 119.914 0.182 0.000 2.311 352 V HA 0.131 4.251 4.120 -0.000 0.000 0.275 352 V C 0.421 176.556 176.094 0.068 0.000 1.022 352 V CA -1.015 61.361 62.300 0.126 0.000 0.830 352 V CB 0.986 32.862 31.823 0.088 0.000 1.012 352 V HN 0.487 nan 8.190 nan 0.000 0.452 353 N N 3.767 122.492 118.700 0.043 0.000 2.357 353 N HA -0.058 4.682 4.740 -0.000 0.000 0.257 353 N C 0.559 176.035 175.510 -0.056 0.000 1.250 353 N CA 0.441 53.475 53.050 -0.026 0.000 0.862 353 N CB 0.503 38.950 38.487 -0.068 0.000 1.066 353 N HN 0.684 nan 8.380 nan 0.000 0.468 354 E N 2.887 123.038 120.200 -0.082 0.000 2.515 354 E HA 0.078 4.428 4.350 -0.000 0.000 0.315 354 E C 0.781 177.290 176.600 -0.153 0.000 1.523 354 E CA -0.327 56.044 56.400 -0.048 0.000 1.704 354 E CB -0.124 29.603 29.700 0.045 0.000 1.395 354 E HN 0.672 nan 8.360 nan 0.000 0.490 355 A N 1.294 124.012 122.820 -0.170 0.000 1.908 355 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 355 A C 0.453 177.724 177.584 -0.521 0.000 1.181 355 A CA 1.288 53.158 52.037 -0.277 0.000 0.627 355 A CB -0.003 19.011 19.000 0.023 0.000 0.818 355 A HN 0.332 nan 8.150 nan 0.000 0.445 356 F N -3.399 116.593 119.950 0.069 0.000 2.613 356 F HA 0.418 4.945 4.527 -0.000 0.000 0.310 356 F C 1.315 177.124 175.800 0.014 0.000 1.085 356 F CA -0.404 57.642 58.000 0.077 0.000 0.945 356 F CB 1.541 40.592 39.000 0.084 0.000 1.298 356 F HN -0.120 nan 8.300 nan 0.000 0.455 357 S N 1.215 117.049 115.700 0.224 0.000 2.387 357 S HA -0.165 4.305 4.470 -0.000 0.000 0.230 357 S C 2.110 176.658 174.600 -0.086 0.000 1.035 357 S CA 1.159 59.405 58.200 0.078 0.000 1.014 357 S CB -0.246 63.106 63.200 0.254 0.000 0.836 357 S HN 0.656 nan 8.310 nan 0.000 0.466 358 L N 2.096 123.346 121.223 0.045 0.000 2.043 358 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 358 L C 2.095 178.921 176.870 -0.073 0.000 1.075 358 L CA 1.898 56.722 54.840 -0.026 0.000 0.752 358 L CB -1.158 40.884 42.059 -0.028 0.000 0.891 358 L HN 0.215 nan 8.230 nan 0.000 0.432 359 V N -0.214 119.699 119.914 -0.002 0.000 2.261 359 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 359 V C 2.783 178.809 176.094 -0.114 0.000 1.047 359 V CA 1.664 63.954 62.300 -0.017 0.000 1.015 359 V CB -0.506 31.388 31.823 0.118 0.000 0.642 359 V HN 0.345 nan 8.190 nan 0.000 0.446 360 V N -0.026 119.759 119.914 -0.215 0.000 2.287 360 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 360 V C 2.318 178.213 176.094 -0.331 0.000 1.053 360 V CA 2.087 64.190 62.300 -0.328 0.000 1.027 360 V CB -0.723 30.721 31.823 -0.632 0.000 0.646 360 V HN 0.445 nan 8.190 nan 0.000 0.447 361 L N 0.347 121.350 121.223 -0.366 0.000 2.083 361 L HA -0.149 4.190 4.340 -0.000 0.000 0.209 361 L C 2.760 179.530 176.870 -0.167 0.000 1.083 361 L CA 1.516 56.216 54.840 -0.235 0.000 0.752 361 L CB -0.888 41.066 42.059 -0.176 0.000 0.899 361 L HN 0.360 nan 8.230 nan 0.000 0.433 362 A N 0.009 122.736 122.820 -0.154 0.000 1.972 362 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 362 A C 2.112 179.607 177.584 -0.149 0.000 1.169 362 A CA 1.839 53.795 52.037 -0.135 0.000 0.635 362 A CB -0.576 18.348 19.000 -0.127 0.000 0.810 362 A HN 0.500 nan 8.150 nan 0.000 0.446 363 N N -0.342 118.262 118.700 -0.160 0.000 2.173 363 N HA -0.021 4.719 4.740 -0.000 0.000 0.184 363 N C 1.775 177.154 175.510 -0.219 0.000 1.025 363 N CA 1.321 54.265 53.050 -0.176 0.000 0.852 363 N CB -0.199 38.201 38.487 -0.144 0.000 0.998 363 N HN 0.481 nan 8.380 nan 0.000 0.427 364 I N 1.802 122.241 120.570 -0.218 0.000 2.151 364 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 364 I C 2.602 178.609 176.117 -0.182 0.000 1.080 364 I CA 1.295 62.460 61.300 -0.225 0.000 1.339 364 I CB -0.255 37.642 38.000 -0.172 0.000 1.039 364 I HN 0.141 nan 8.210 nan 0.000 0.409 365 K N 1.117 121.429 120.400 -0.147 0.000 1.978 365 K HA -0.208 4.111 4.320 -0.000 0.000 0.214 365 K C 2.234 178.761 176.600 -0.121 0.000 1.049 365 K CA 1.870 58.087 56.287 -0.117 0.000 0.939 365 K CB -0.122 32.318 32.500 -0.099 0.000 0.721 365 K HN 0.154 nan 8.250 nan 0.000 0.441 366 M N 0.425 119.942 119.600 -0.138 0.000 2.229 366 M HA -0.129 4.351 4.480 -0.000 0.000 0.264 366 M C 2.030 178.245 176.300 -0.142 0.000 1.063 366 M CA 1.292 56.510 55.300 -0.137 0.000 1.114 366 M CB -0.033 32.463 32.600 -0.173 0.000 1.387 366 M HN 0.193 nan 8.290 nan 0.000 0.420 367 L N -0.476 120.641 121.223 -0.177 0.000 2.270 367 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 367 L C 0.205 176.981 176.870 -0.158 0.000 1.104 367 L CA 0.313 55.044 54.840 -0.182 0.000 0.804 367 L CB -0.101 41.783 42.059 -0.292 0.000 0.937 367 L HN 0.303 nan 8.230 nan 0.000 0.450 368 E N 1.101 121.204 120.200 -0.161 0.000 2.257 368 E HA -0.203 4.147 4.350 -0.000 0.000 0.217 368 E C -0.418 176.096 176.600 -0.144 0.000 1.248 368 E CA 0.284 56.610 56.400 -0.125 0.000 0.691 368 E CB -1.661 27.993 29.700 -0.077 0.000 1.185 368 E HN 0.570 nan 8.360 nan 0.000 0.377 369 I N -2.879 117.552 120.570 -0.231 0.000 2.863 369 I HA 0.516 4.686 4.170 -0.000 0.000 0.311 369 I C 0.329 176.329 176.117 -0.195 0.000 1.026 369 I CA -1.142 59.995 61.300 -0.271 0.000 1.077 369 I CB 1.413 39.033 38.000 -0.634 0.000 1.262 369 I HN -0.203 nan 8.210 nan 0.000 0.461 370 D N 5.362 125.688 120.400 -0.123 0.000 2.342 370 D HA 0.193 4.833 4.640 -0.000 0.000 0.260 370 D C -1.475 174.793 176.300 -0.054 0.000 1.278 370 D CA -2.367 51.601 54.000 -0.053 0.000 0.910 370 D CB 1.054 41.858 40.800 0.007 0.000 1.079 370 D HN 0.320 nan 8.370 nan 0.000 0.496 371 P HA -0.186 nan 4.420 nan 0.000 0.220 371 P C 0.947 178.270 177.300 0.039 0.000 1.144 371 P CA 0.867 63.967 63.100 -0.000 0.000 0.800 371 P CB 0.375 32.089 31.700 0.024 0.000 0.772 372 Q N -0.115 119.706 119.800 0.035 0.000 2.369 372 Q HA -0.042 4.297 4.340 -0.000 0.000 0.206 372 Q C 1.460 177.505 176.000 0.075 0.000 0.963 372 Q CA 1.050 56.882 55.803 0.049 0.000 0.894 372 Q CB -0.245 28.517 28.738 0.039 0.000 0.965 372 Q HN 0.426 nan 8.270 nan 0.000 0.475 373 K N 0.023 120.480 120.400 0.095 0.000 2.397 373 K HA 0.193 4.513 4.320 -0.000 0.000 0.202 373 K C -0.373 176.369 176.600 0.237 0.000 1.022 373 K CA -0.059 56.334 56.287 0.177 0.000 1.141 373 K CB 1.102 33.755 32.500 0.255 0.000 0.857 373 K HN -0.136 nan 8.250 nan 0.000 0.514 374 V N 2.411 122.419 119.914 0.156 0.000 2.448 374 V HA 0.129 4.249 4.120 -0.000 0.000 0.295 374 V C -0.297 175.905 176.094 0.180 0.000 1.025 374 V CA -1.149 61.257 62.300 0.177 0.000 0.859 374 V CB 1.355 33.227 31.823 0.082 0.000 0.988 374 V HN 0.423 nan 8.190 nan 0.000 0.431 375 N N 2.705 121.523 118.700 0.196 0.000 2.714 375 N HA -0.232 4.508 4.740 -0.000 0.000 0.252 375 N C 0.990 176.565 175.510 0.107 0.000 1.014 375 N CA 1.220 54.364 53.050 0.157 0.000 0.735 375 N CB -0.788 37.807 38.487 0.181 0.000 0.924 375 N HN 0.947 nan 8.380 nan 0.000 0.540 376 I N -3.607 117.035 120.570 0.120 0.000 2.454 376 I HA -0.126 4.044 4.170 -0.000 0.000 0.254 376 I C 0.795 176.944 176.117 0.054 0.000 1.156 376 I CA 1.446 62.795 61.300 0.083 0.000 1.433 376 I CB -0.040 38.012 38.000 0.087 0.000 1.082 376 I HN -0.005 nan 8.210 nan 0.000 0.432 377 N N 1.639 120.377 118.700 0.064 0.000 2.328 377 N HA 0.347 5.087 4.740 -0.000 0.000 0.247 377 N C 0.476 176.000 175.510 0.023 0.000 1.165 377 N CA 0.807 53.867 53.050 0.018 0.000 0.873 377 N CB 1.007 39.493 38.487 -0.002 0.000 1.125 377 N HN 0.658 nan 8.380 nan 0.000 0.513 378 G N -0.943 107.861 108.800 0.006 0.000 2.631 378 G HA2 0.236 4.196 3.960 -0.000 0.000 0.504 378 G HA3 0.236 4.196 3.960 -0.000 0.000 0.504 378 G C -0.309 174.574 174.900 -0.028 0.000 1.306 378 G CA -0.555 44.535 45.100 -0.018 0.000 0.897 378 G HN 0.565 nan 8.290 nan 0.000 0.520 379 G N -2.974 105.798 108.800 -0.048 0.000 2.490 379 G HA2 0.756 4.716 3.960 -0.000 0.000 0.308 379 G HA3 0.756 4.716 3.960 -0.000 0.000 0.308 379 G C 0.946 175.805 174.900 -0.069 0.000 1.286 379 G CA 1.169 46.245 45.100 -0.039 0.000 0.825 379 G HN 2.138 nan 8.290 nan 0.000 0.479 380 A N -0.809 121.962 122.820 -0.080 0.000 2.024 380 A HA 0.109 4.429 4.320 -0.000 0.000 0.220 380 A C 2.491 180.021 177.584 -0.091 0.000 1.164 380 A CA 2.512 54.483 52.037 -0.111 0.000 0.643 380 A CB -0.604 18.229 19.000 -0.279 0.000 0.806 380 A HN 1.051 nan 8.150 nan 0.000 0.451 381 V N 0.532 120.397 119.914 -0.081 0.000 2.392 381 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 381 V C 2.750 178.699 176.094 -0.242 0.000 1.059 381 V CA 2.438 64.694 62.300 -0.073 0.000 1.051 381 V CB -0.439 31.406 31.823 0.036 0.000 0.658 381 V HN 0.838 nan 8.190 nan 0.000 0.455 382 S N -1.952 113.506 115.700 -0.403 0.000 2.539 382 S HA 0.216 4.686 4.470 -0.000 0.000 0.226 382 S C 1.593 176.082 174.600 -0.186 0.000 1.054 382 S CA 0.016 57.776 58.200 -0.733 0.000 0.910 382 S CB 0.014 62.604 63.200 -1.016 0.000 0.818 382 S HN 0.429 nan 8.310 nan 0.000 0.490 383 L N 1.517 122.689 121.223 -0.084 0.000 2.477 383 L HA 0.408 4.748 4.340 -0.000 0.000 0.220 383 L C 1.320 178.209 176.870 0.032 0.000 1.106 383 L CA 0.471 55.321 54.840 0.016 0.000 0.851 383 L CB -0.521 41.527 42.059 -0.018 0.000 0.994 383 L HN 0.644 nan 8.230 nan 0.000 0.462 384 G N -0.183 108.628 108.800 0.018 0.000 2.661 384 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.685 384 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.685 384 G C -1.026 173.936 174.900 0.104 0.000 1.298 384 G CA -0.658 44.479 45.100 0.061 0.000 0.855 384 G HN 0.286 nan 8.290 nan 0.000 0.560 385 H N 0.816 119.870 119.070 -0.025 0.000 2.538 385 H HA 0.542 5.098 4.556 -0.000 0.000 0.239 385 H C -2.643 172.665 175.328 -0.033 0.000 1.401 385 H CA -1.999 54.025 56.048 -0.040 0.000 1.499 385 H CB 1.098 30.813 29.762 -0.077 0.000 1.624 385 H HN 0.378 nan 8.280 nan 0.000 0.524 386 P HA 0.082 nan 4.420 nan 0.000 0.273 386 P C 1.695 178.931 177.300 -0.105 0.000 1.319 386 P CA -0.181 62.893 63.100 -0.043 0.000 0.885 386 P CB 0.074 31.783 31.700 0.014 0.000 1.015 387 I N 1.036 121.435 120.570 -0.284 0.000 2.194 387 I HA -0.176 3.994 4.170 -0.000 0.000 0.246 387 I C 1.845 177.891 176.117 -0.117 0.000 1.093 387 I CA 2.022 63.085 61.300 -0.395 0.000 1.355 387 I CB -1.312 36.421 38.000 -0.445 0.000 1.046 387 I HN 0.242 nan 8.210 nan 0.000 0.413 388 G N 1.633 110.387 108.800 -0.076 0.000 2.598 388 G HA2 -0.052 3.907 3.960 -0.000 0.000 0.215 388 G HA3 -0.052 3.907 3.960 -0.000 0.000 0.215 388 G C 1.540 176.445 174.900 0.008 0.000 1.131 388 G CA 0.881 45.964 45.100 -0.028 0.000 0.785 388 G HN 0.653 nan 8.290 nan 0.000 0.539 389 M N -1.235 118.379 119.600 0.023 0.000 2.567 389 M HA 0.423 4.903 4.480 -0.000 0.000 0.261 389 M C 2.102 178.443 176.300 0.068 0.000 1.180 389 M CA 1.188 56.514 55.300 0.043 0.000 1.143 389 M CB 0.151 32.775 32.600 0.040 0.000 1.319 389 M HN -0.114 nan 8.290 nan 0.000 0.490 390 S N 1.524 117.288 115.700 0.107 0.000 2.370 390 S HA -0.049 4.421 4.470 -0.000 0.000 0.226 390 S C 2.039 176.688 174.600 0.082 0.000 1.033 390 S CA 1.679 59.951 58.200 0.121 0.000 1.011 390 S CB -1.229 62.102 63.200 0.218 0.000 0.852 390 S HN 0.788 nan 8.310 nan 0.000 0.457 391 G N 1.005 109.853 108.800 0.079 0.000 2.432 391 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.219 391 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.219 391 G C 1.475 176.407 174.900 0.054 0.000 1.135 391 G CA 0.938 46.074 45.100 0.060 0.000 0.767 391 G HN 0.587 nan 8.290 nan 0.000 0.550 392 A N 0.575 123.426 122.820 0.053 0.000 1.874 392 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 392 A C 2.281 179.909 177.584 0.072 0.000 1.189 392 A CA 1.585 53.654 52.037 0.053 0.000 0.615 392 A CB -0.451 18.577 19.000 0.048 0.000 0.830 392 A HN 0.330 nan 8.150 nan 0.000 0.443 393 R N 0.572 121.117 120.500 0.076 0.000 2.096 393 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 393 R C 2.109 178.483 176.300 0.123 0.000 1.139 393 R CA 2.271 58.426 56.100 0.092 0.000 0.952 393 R CB -0.667 29.673 30.300 0.066 0.000 0.854 393 R HN 0.700 nan 8.270 nan 0.000 0.436 394 I N -1.829 118.803 120.570 0.104 0.000 2.493 394 I HA -0.120 4.050 4.170 -0.000 0.000 0.254 394 I C 1.790 177.990 176.117 0.138 0.000 1.160 394 I CA 0.981 62.357 61.300 0.127 0.000 1.445 394 I CB -0.219 37.837 38.000 0.094 0.000 1.086 394 I HN -0.051 nan 8.210 nan 0.000 0.433 395 V N 2.318 122.293 119.914 0.101 0.000 2.379 395 V HA -0.065 4.055 4.120 -0.000 0.000 0.245 395 V C 2.903 179.045 176.094 0.080 0.000 1.044 395 V CA 1.986 64.331 62.300 0.075 0.000 1.036 395 V CB -1.393 30.460 31.823 0.049 0.000 0.664 395 V HN 0.612 nan 8.190 nan 0.000 0.453 396 G N -0.785 108.081 108.800 0.111 0.000 2.469 396 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 396 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 396 G C 1.474 176.518 174.900 0.239 0.000 1.136 396 G CA 1.499 46.689 45.100 0.150 0.000 0.759 396 G HN 0.644 nan 8.290 nan 0.000 0.562 397 H N 0.191 119.352 119.070 0.152 0.000 2.363 397 H HA 0.181 4.737 4.556 -0.000 0.000 0.301 397 H C 2.561 177.952 175.328 0.106 0.000 1.074 397 H CA 1.026 57.174 56.048 0.166 0.000 1.354 397 H CB -0.207 29.644 29.762 0.148 0.000 1.397 397 H HN 0.258 nan 8.280 nan 0.000 0.516 398 L N -0.441 120.803 121.223 0.035 0.000 2.012 398 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 398 L C 2.411 179.215 176.870 -0.110 0.000 1.073 398 L CA 1.848 56.658 54.840 -0.049 0.000 0.748 398 L CB -0.744 41.317 42.059 0.003 0.000 0.891 398 L HN 0.368 nan 8.230 nan 0.000 0.431 399 T N -1.772 112.718 114.554 -0.105 0.000 2.685 399 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 399 T C 1.735 176.252 174.700 -0.305 0.000 1.034 399 T CA 1.583 63.556 62.100 -0.210 0.000 1.149 399 T CB -0.367 68.342 68.868 -0.265 0.000 0.860 399 T HN 0.419 nan 8.240 nan 0.000 0.449 400 H N 0.158 119.142 119.070 -0.145 0.000 2.384 400 H HA 0.326 4.882 4.556 -0.000 0.000 0.300 400 H C 2.590 177.783 175.328 -0.225 0.000 1.057 400 H CA 1.180 57.127 56.048 -0.169 0.000 1.370 400 H CB -0.299 29.367 29.762 -0.159 0.000 1.417 400 H HN 0.415 nan 8.280 nan 0.000 0.527 401 A N 1.330 124.016 122.820 -0.224 0.000 2.067 401 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 401 A C 1.360 178.854 177.584 -0.151 0.000 1.156 401 A CA -0.052 51.832 52.037 -0.255 0.000 0.683 401 A CB -0.501 18.237 19.000 -0.437 0.000 0.808 401 A HN 0.116 nan 8.150 nan 0.000 0.455 402 L N 0.580 121.724 121.223 -0.131 0.000 2.461 402 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 402 L C 0.291 177.106 176.870 -0.092 0.000 1.197 402 L CA 0.048 54.828 54.840 -0.099 0.000 0.836 402 L CB 0.563 42.562 42.059 -0.099 0.000 1.105 402 L HN 0.199 nan 8.230 nan 0.000 0.477 403 K N 1.932 122.284 120.400 -0.080 0.000 2.110 403 K HA 0.200 4.519 4.320 -0.000 0.000 0.263 403 K C -0.394 176.154 176.600 -0.086 0.000 0.975 403 K CA -0.708 55.535 56.287 -0.074 0.000 0.895 403 K CB 1.158 33.623 32.500 -0.058 0.000 1.060 403 K HN 0.461 nan 8.250 nan 0.000 0.448 404 Q N 0.729 120.480 119.800 -0.082 0.000 2.549 404 Q HA -0.204 4.136 4.340 -0.000 0.000 0.347 404 Q C 0.700 176.633 176.000 -0.111 0.000 1.081 404 Q CA 1.697 57.445 55.803 -0.092 0.000 1.093 404 Q CB -0.066 28.628 28.738 -0.073 0.000 1.067 404 Q HN 0.892 nan 8.270 nan 0.000 0.398 405 G N 3.045 111.755 108.800 -0.151 0.000 2.284 405 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.247 405 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.247 405 G C -0.183 174.541 174.900 -0.293 0.000 1.012 405 G CA 0.286 45.264 45.100 -0.203 0.000 0.618 405 G HN 0.666 nan 8.290 nan 0.000 0.521 406 E N -0.060 120.010 120.200 -0.216 0.000 2.383 406 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 406 E C -0.595 175.853 176.600 -0.252 0.000 1.050 406 E CA -0.336 55.950 56.400 -0.190 0.000 0.896 406 E CB 0.459 30.102 29.700 -0.095 0.000 0.982 406 E HN 0.332 nan 8.360 nan 0.000 0.424 407 Y N 0.272 120.520 120.300 -0.086 0.000 2.320 407 Y HA 0.416 4.966 4.550 -0.000 0.000 0.334 407 Y C 0.776 176.577 175.900 -0.165 0.000 1.055 407 Y CA -0.336 57.693 58.100 -0.118 0.000 1.143 407 Y CB 1.809 40.193 38.460 -0.127 0.000 1.193 407 Y HN 0.481 nan 8.280 nan 0.000 0.477 408 G N 3.774 112.579 108.800 0.008 0.000 2.513 408 G HA2 0.601 4.561 3.960 -0.000 0.000 0.317 408 G HA3 0.601 4.561 3.960 -0.000 0.000 0.317 408 G C -1.981 172.826 174.900 -0.154 0.000 1.277 408 G CA -0.730 44.310 45.100 -0.100 0.000 0.955 408 G HN 0.630 nan 8.290 nan 0.000 0.484 409 L N 2.117 123.160 121.223 -0.301 0.000 2.372 409 L HA 0.785 5.124 4.340 -0.000 0.000 0.274 409 L C 0.060 176.873 176.870 -0.095 0.000 0.988 409 L CA -0.764 53.900 54.840 -0.294 0.000 0.833 409 L CB 1.616 43.275 42.059 -0.666 0.000 1.236 409 L HN 0.641 nan 8.230 nan 0.000 0.410 410 A N 3.303 126.127 122.820 0.006 0.000 2.330 410 A HA 0.851 5.170 4.320 -0.000 0.000 0.327 410 A C -0.591 177.053 177.584 0.101 0.000 1.155 410 A CA -0.284 51.801 52.037 0.080 0.000 0.803 410 A CB 1.455 20.500 19.000 0.075 0.000 1.208 410 A HN 0.695 nan 8.150 nan 0.000 0.477 411 S N 1.167 116.945 115.700 0.129 0.000 2.564 411 S HA 0.811 5.281 4.470 -0.000 0.000 0.274 411 S C -0.877 173.785 174.600 0.102 0.000 1.124 411 S CA -0.557 57.717 58.200 0.123 0.000 0.869 411 S CB 1.404 64.696 63.200 0.153 0.000 1.105 411 S HN 1.330 nan 8.310 nan 0.000 0.472 412 I N 1.743 122.370 120.570 0.095 0.000 2.649 412 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 412 I C -0.478 175.698 176.117 0.099 0.000 1.222 412 I CA -0.664 60.686 61.300 0.082 0.000 1.046 412 I CB 1.169 39.210 38.000 0.067 0.000 1.272 412 I HN 1.229 nan 8.210 nan 0.000 0.425 413 C N 5.471 124.846 119.300 0.125 0.000 2.500 413 C HA 0.707 5.167 4.460 -0.000 0.000 0.367 413 C C -0.266 174.773 174.990 0.082 0.000 1.283 413 C CA -0.345 58.775 59.018 0.171 0.000 2.456 413 C CB 0.576 28.521 27.740 0.341 0.000 2.457 413 C HN 0.869 nan 8.230 nan 0.000 0.632 414 N N 0.375 119.093 118.700 0.030 0.000 2.277 414 N HA 0.407 5.147 4.740 -0.000 0.000 0.286 414 N C -0.336 175.027 175.510 -0.244 0.000 1.140 414 N CA -0.263 52.724 53.050 -0.106 0.000 0.799 414 N CB 1.736 40.202 38.487 -0.036 0.000 1.596 414 N HN 1.111 nan 8.380 nan 0.000 0.473 415 G N -0.856 107.724 108.800 -0.368 0.000 2.321 415 G HA2 0.344 4.304 3.960 -0.000 0.000 0.237 415 G HA3 0.344 4.304 3.960 -0.000 0.000 0.237 415 G C 1.150 175.999 174.900 -0.085 0.000 1.282 415 G CA 0.558 45.454 45.100 -0.340 0.000 0.886 415 G HN 1.380 nan 8.290 nan 0.000 0.528 416 G N 0.378 109.205 108.800 0.045 0.000 2.218 416 G HA2 0.250 4.210 3.960 -0.000 0.000 0.216 416 G HA3 0.250 4.210 3.960 -0.000 0.000 0.216 416 G C 1.247 176.238 174.900 0.152 0.000 0.994 416 G CA 0.836 46.038 45.100 0.170 0.000 0.637 416 G HN 2.638 nan 8.290 nan 0.000 0.505 417 G N -0.955 107.952 108.800 0.177 0.000 2.143 417 G HA2 0.379 4.339 3.960 -0.000 0.000 0.175 417 G HA3 0.379 4.339 3.960 -0.000 0.000 0.175 417 G C 0.973 175.970 174.900 0.161 0.000 1.004 417 G CA 0.832 46.052 45.100 0.200 0.000 0.671 417 G HN 1.974 nan 8.290 nan 0.000 0.512 418 G N -0.824 108.058 108.800 0.136 0.000 2.491 418 G HA2 1.028 4.988 3.960 -0.000 0.000 0.327 418 G HA3 1.028 4.988 3.960 -0.000 0.000 0.327 418 G C -0.202 174.777 174.900 0.131 0.000 1.189 418 G CA 0.030 45.196 45.100 0.110 0.000 0.956 418 G HN 1.675 nan 8.290 nan 0.000 0.491 419 A N -0.337 122.554 122.820 0.118 0.000 2.604 419 A HA 0.793 5.113 4.320 -0.000 0.000 0.295 419 A C -0.506 177.139 177.584 0.102 0.000 1.067 419 A CA -0.511 51.596 52.037 0.117 0.000 0.683 419 A CB 1.458 20.542 19.000 0.139 0.000 1.281 419 A HN 0.956 nan 8.150 nan 0.000 0.407 420 S N -0.381 115.375 115.700 0.093 0.000 2.532 420 S HA 0.891 5.360 4.470 -0.000 0.000 0.301 420 S C -0.181 174.481 174.600 0.103 0.000 1.083 420 S CA 0.054 58.309 58.200 0.092 0.000 1.025 420 S CB 1.749 64.987 63.200 0.063 0.000 1.056 420 S HN 1.835 nan 8.310 nan 0.000 0.494 421 A N 2.201 125.093 122.820 0.120 0.000 2.498 421 A HA 0.899 5.219 4.320 -0.000 0.000 0.298 421 A C -1.098 176.571 177.584 0.142 0.000 1.075 421 A CA -0.700 51.407 52.037 0.118 0.000 0.714 421 A CB 1.623 20.691 19.000 0.114 0.000 1.299 421 A HN 0.823 nan 8.150 nan 0.000 0.407 422 M N 1.927 121.594 119.600 0.112 0.000 2.322 422 M HA 0.595 5.075 4.480 -0.000 0.000 0.286 422 M C -2.322 174.014 176.300 0.061 0.000 1.111 422 M CA -0.754 54.629 55.300 0.139 0.000 0.941 422 M CB 1.706 34.383 32.600 0.129 0.000 1.671 422 M HN 0.719 nan 8.290 nan 0.000 0.470 423 L N 7.233 128.487 121.223 0.052 0.000 2.282 423 L HA 0.750 5.090 4.340 -0.000 0.000 0.288 423 L C -1.083 175.822 176.870 0.058 0.000 1.033 423 L CA -0.344 54.496 54.840 0.001 0.000 0.807 423 L CB 1.210 43.234 42.059 -0.060 0.000 1.209 423 L HN 0.733 nan 8.230 nan 0.000 0.423 424 I N 1.325 121.930 120.570 0.058 0.000 2.957 424 I HA 0.652 4.822 4.170 -0.000 0.000 0.310 424 I C -1.054 175.111 176.117 0.080 0.000 1.063 424 I CA -0.779 60.559 61.300 0.063 0.000 1.033 424 I CB 2.039 40.051 38.000 0.019 0.000 1.230 424 I HN 0.711 nan 8.210 nan 0.000 0.447 425 Q N 3.063 122.865 119.800 0.004 0.000 2.304 425 Q HA 0.340 4.680 4.340 -0.000 0.000 0.270 425 Q C -1.250 174.663 176.000 -0.146 0.000 1.035 425 Q CA -0.918 54.798 55.803 -0.145 0.000 0.781 425 Q CB 2.029 30.590 28.738 -0.295 0.000 1.261 425 Q HN 0.559 nan 8.270 nan 0.000 0.444 426 K N 2.842 123.142 120.400 -0.166 0.000 2.382 426 K HA 0.164 4.484 4.320 -0.000 0.000 0.275 426 K C -0.427 176.094 176.600 -0.132 0.000 1.009 426 K CA -0.042 56.164 56.287 -0.135 0.000 0.970 426 K CB 0.507 32.930 32.500 -0.128 0.000 0.934 426 K HN 0.469 nan 8.250 nan 0.000 0.479 427 L N 0.000 121.160 121.223 -0.105 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.787 54.840 -0.089 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