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 2ibw_1_C DATA FIRST_RESID 35 DATA SEQUENCE SKPTLKEVVI VSATRTPIGS FLGSLSLLPA TKLGSIAIQG AIEKAGIPKE DATA SEQUENCE EVKEAYMGNV LQGGEGQAPT RQAVLGAGLP ISTPCTTINK VXASGMKAIM DATA SEQUENCE MASQSLMCGH QDVMVAGGME SMSNVPYVMN RGSTPYGGVK LEDLIVKDGL DATA SEQUENCE TDVYNKIHMG SCAENTAKKL NIARNEQDAY AINSYTRSKA AWEAGKFGNE DATA SEQUENCE VIPVTVTVKG QPDVVVKEDE EYKRVDFSKV PKLKTVFQKE NGTVTAANAS DATA SEQUENCE TLNDGAAALV LMTADAAKRL NVTPLARIVA FADAAVEPID FPIAPVYAAS DATA SEQUENCE MVLKDVGLKK EDIAMWEVNE AFSLVVLANI KMLEIDPQKV NINGGAVSLG DATA SEQUENCE HPIGMSGARI VGHLTHALKQ GEYGLASICN GGGGASAMLI QKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.594 174.600 -0.010 0.000 1.055 35 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 35 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 36 K N 2.118 122.510 120.400 -0.013 0.000 2.185 36 K HA 0.597 4.917 4.320 -0.000 0.000 0.271 36 K C -2.584 174.006 176.600 -0.016 0.000 1.013 36 K CA -1.606 54.671 56.287 -0.017 0.000 0.943 36 K CB 0.069 32.556 32.500 -0.022 0.000 0.998 36 K HN 0.337 nan 8.250 nan 0.000 0.468 37 P HA -0.021 nan 4.420 nan 0.000 0.267 37 P C -0.888 176.401 177.300 -0.019 0.000 1.200 37 P CA -0.195 62.895 63.100 -0.017 0.000 0.772 37 P CB 0.409 32.097 31.700 -0.019 0.000 0.855 38 T N 0.648 115.193 114.554 -0.016 0.000 2.743 38 T HA 0.615 4.965 4.350 -0.000 0.000 0.292 38 T C -0.182 174.507 174.700 -0.019 0.000 0.972 38 T CA -0.739 61.351 62.100 -0.016 0.000 0.967 38 T CB -0.099 68.762 68.868 -0.012 0.000 0.926 38 T HN 0.126 nan 8.240 nan 0.000 0.459 39 L N 2.471 123.681 121.223 -0.021 0.000 2.330 39 L HA 0.581 4.921 4.340 -0.000 0.000 0.271 39 L C 0.364 177.224 176.870 -0.017 0.000 1.013 39 L CA -1.632 53.194 54.840 -0.024 0.000 0.816 39 L CB 1.453 43.497 42.059 -0.026 0.000 1.287 39 L HN 0.413 nan 8.230 nan 0.000 0.435 40 K N 1.708 122.097 120.400 -0.018 0.000 2.436 40 K HA 0.042 4.361 4.320 -0.000 0.000 0.275 40 K C -0.175 176.424 176.600 -0.003 0.000 0.999 40 K CA 0.081 56.361 56.287 -0.011 0.000 0.980 40 K CB 0.593 33.085 32.500 -0.013 0.000 0.919 40 K HN 0.543 nan 8.250 nan 0.000 0.484 41 E N 1.746 121.944 120.200 -0.002 0.000 2.316 41 E HA 0.133 4.483 4.350 -0.000 0.000 0.275 41 E C -0.980 175.625 176.600 0.007 0.000 1.029 41 E CA -0.497 55.904 56.400 0.003 0.000 0.871 41 E CB 0.757 30.455 29.700 -0.003 0.000 1.022 41 E HN 0.147 nan 8.360 nan 0.000 0.418 42 V N 5.884 125.810 119.914 0.021 0.000 2.417 42 V HA 0.337 4.456 4.120 -0.000 0.000 0.291 42 V C -0.081 176.021 176.094 0.014 0.000 1.024 42 V CA -0.693 61.621 62.300 0.023 0.000 0.861 42 V CB 1.180 33.036 31.823 0.055 0.000 0.985 42 V HN 0.599 nan 8.190 nan 0.000 0.436 43 V N 3.167 123.079 119.914 -0.003 0.000 2.769 43 V HA 0.689 4.809 4.120 -0.000 0.000 0.312 43 V C -0.481 175.599 176.094 -0.025 0.000 1.061 43 V CA -0.905 61.385 62.300 -0.016 0.000 0.931 43 V CB 2.029 33.838 31.823 -0.024 0.000 1.010 43 V HN 0.647 nan 8.190 nan 0.000 0.433 44 I N 3.246 123.794 120.570 -0.037 0.000 2.315 44 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 44 I C 0.776 176.858 176.117 -0.057 0.000 1.006 44 I CA -0.287 60.984 61.300 -0.048 0.000 1.265 44 I CB 1.791 39.753 38.000 -0.064 0.000 1.387 44 I HN 0.516 nan 8.210 nan 0.000 0.475 45 V N 3.822 123.708 119.914 -0.045 0.000 2.922 45 V HA 0.069 4.189 4.120 -0.000 0.000 0.242 45 V C 0.666 176.737 176.094 -0.038 0.000 1.094 45 V CA 0.778 63.054 62.300 -0.039 0.000 1.106 45 V CB 0.305 32.113 31.823 -0.025 0.000 0.799 45 V HN 0.866 nan 8.190 nan 0.000 0.474 46 S N -0.760 114.921 115.700 -0.030 0.000 2.596 46 S HA 0.858 5.328 4.470 -0.000 0.000 0.270 46 S C -0.948 173.653 174.600 0.001 0.000 1.155 46 S CA -0.100 58.096 58.200 -0.007 0.000 0.827 46 S CB 2.467 65.685 63.200 0.029 0.000 1.130 46 S HN 0.805 nan 8.310 nan 0.000 0.467 47 A N 1.397 124.256 122.820 0.065 0.000 2.497 47 A HA 0.785 5.105 4.320 -0.000 0.000 0.280 47 A C -0.299 177.423 177.584 0.230 0.000 1.065 47 A CA -0.286 51.819 52.037 0.114 0.000 0.781 47 A CB 0.851 19.885 19.000 0.058 0.000 1.289 47 A HN 1.709 nan 8.150 nan 0.000 0.415 48 T N -0.146 114.491 114.554 0.138 0.000 2.916 48 T HA 0.913 5.263 4.350 -0.000 0.000 0.292 48 T C -0.410 174.343 174.700 0.089 0.000 1.055 48 T CA -0.853 61.315 62.100 0.114 0.000 1.009 48 T CB 1.795 70.712 68.868 0.081 0.000 1.118 48 T HN 1.288 nan 8.240 nan 0.000 0.497 49 R N -0.558 119.988 120.500 0.078 0.000 2.739 49 R HA 0.702 5.042 4.340 -0.000 0.000 0.271 49 R C -0.362 175.976 176.300 0.063 0.000 1.010 49 R CA -0.983 55.157 56.100 0.066 0.000 0.897 49 R CB 0.792 31.131 30.300 0.066 0.000 1.236 49 R HN 0.805 nan 8.270 nan 0.000 0.466 50 T N -0.821 113.766 114.554 0.054 0.000 2.766 50 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 50 T C -2.092 172.647 174.700 0.065 0.000 1.024 50 T CA -1.357 60.776 62.100 0.054 0.000 1.018 50 T CB 0.615 69.506 68.868 0.039 0.000 1.002 50 T HN 0.397 nan 8.240 nan 0.000 0.532 51 P HA 0.313 nan 4.420 nan 0.000 0.272 51 P C -0.483 176.841 177.300 0.041 0.000 1.240 51 P CA -0.458 62.684 63.100 0.069 0.000 0.791 51 P CB 0.236 31.953 31.700 0.029 0.000 0.978 52 I N 0.803 121.396 120.570 0.039 0.000 2.325 52 I HA 0.344 4.513 4.170 -0.000 0.000 0.291 52 I C 1.159 177.291 176.117 0.025 0.000 1.019 52 I CA -0.005 61.316 61.300 0.035 0.000 1.302 52 I CB 0.712 38.738 38.000 0.043 0.000 1.401 52 I HN 0.305 nan 8.210 nan 0.000 0.485 53 G N 4.023 112.838 108.800 0.025 0.000 2.400 53 G HA2 0.433 4.393 3.960 -0.000 0.000 0.301 53 G HA3 0.433 4.393 3.960 -0.000 0.000 0.301 53 G C -0.324 174.603 174.900 0.046 0.000 1.154 53 G CA -0.326 44.785 45.100 0.018 0.000 0.852 53 G HN 0.559 nan 8.290 nan 0.000 0.511 54 S N -0.236 115.490 115.700 0.044 0.000 2.614 54 S HA 0.264 4.734 4.470 -0.000 0.000 0.265 54 S C -0.141 174.538 174.600 0.132 0.000 1.303 54 S CA -0.368 57.886 58.200 0.090 0.000 1.000 54 S CB 0.710 63.952 63.200 0.070 0.000 0.935 54 S HN 0.435 nan 8.310 nan 0.000 0.551 55 F N 2.395 122.352 119.950 0.010 0.000 2.571 55 F HA 0.163 4.690 4.527 -0.000 0.000 0.384 55 F C 0.954 176.757 175.800 0.005 0.000 1.058 55 F CA -0.226 57.779 58.000 0.008 0.000 1.200 55 F CB -0.781 38.229 39.000 0.017 0.000 1.077 55 F HN 0.492 nan 8.300 nan 0.000 0.558 56 L N 4.525 125.461 121.223 -0.479 0.000 4.040 56 L HA -0.289 4.051 4.340 -0.000 0.000 0.410 56 L C 0.929 177.704 176.870 -0.158 0.000 1.187 56 L CA 0.460 55.072 54.840 -0.380 0.000 0.956 56 L CB -2.291 39.496 42.059 -0.452 0.000 2.022 56 L HN 0.827 nan 8.230 nan 0.000 0.897 57 G N -0.301 108.445 108.800 -0.090 0.000 2.945 57 G HA2 0.383 4.343 3.960 -0.000 0.000 0.156 57 G HA3 0.383 4.343 3.960 -0.000 0.000 0.156 57 G C 1.026 175.899 174.900 -0.045 0.000 1.375 57 G CA 0.428 45.500 45.100 -0.045 0.000 1.039 57 G HN 0.297 nan 8.290 nan 0.000 0.586 58 S N -0.816 114.863 115.700 -0.035 0.000 2.419 58 S HA 0.016 4.486 4.470 -0.000 0.000 0.233 58 S C 1.777 176.359 174.600 -0.030 0.000 1.016 58 S CA 0.952 59.131 58.200 -0.036 0.000 0.974 58 S CB -0.209 62.967 63.200 -0.040 0.000 0.786 58 S HN 0.265 nan 8.310 nan 0.000 0.492 59 L N 1.887 123.095 121.223 -0.025 0.000 2.808 59 L HA 0.269 4.609 4.340 -0.000 0.000 0.246 59 L C 2.109 178.964 176.870 -0.025 0.000 1.153 59 L CA 0.411 55.240 54.840 -0.019 0.000 0.956 59 L CB 0.006 42.061 42.059 -0.006 0.000 1.270 59 L HN 0.436 nan 8.230 nan 0.000 0.528 60 S N -0.258 115.416 115.700 -0.042 0.000 2.474 60 S HA -0.082 4.388 4.470 -0.000 0.000 0.235 60 S C 1.661 176.229 174.600 -0.053 0.000 0.997 60 S CA 0.702 58.864 58.200 -0.063 0.000 0.949 60 S CB -0.260 62.874 63.200 -0.110 0.000 0.766 60 S HN 0.467 nan 8.310 nan 0.000 0.517 61 L N 0.336 121.536 121.223 -0.040 0.000 2.418 61 L HA 0.302 4.642 4.340 -0.000 0.000 0.218 61 L C 0.498 177.355 176.870 -0.021 0.000 1.125 61 L CA 0.270 55.092 54.840 -0.031 0.000 0.835 61 L CB -0.229 41.814 42.059 -0.026 0.000 0.953 61 L HN 0.282 nan 8.230 nan 0.000 0.454 62 L N 1.092 122.304 121.223 -0.018 0.000 2.275 62 L HA 0.334 4.674 4.340 -0.000 0.000 0.288 62 L C -2.138 174.727 176.870 -0.009 0.000 1.046 62 L CA -2.053 52.780 54.840 -0.010 0.000 0.805 62 L CB 0.858 42.913 42.059 -0.006 0.000 1.193 62 L HN -0.220 nan 8.230 nan 0.000 0.426 63 P HA 0.053 nan 4.420 nan 0.000 0.269 63 P C 0.373 177.672 177.300 -0.001 0.000 1.215 63 P CA -0.188 62.909 63.100 -0.005 0.000 0.780 63 P CB 0.902 32.599 31.700 -0.004 0.000 0.898 64 A N 2.592 125.412 122.820 -0.001 0.000 1.927 64 A HA -0.253 4.066 4.320 -0.000 0.000 0.220 64 A C 2.021 179.608 177.584 0.005 0.000 1.185 64 A CA 2.863 54.902 52.037 0.002 0.000 0.639 64 A CB -2.176 16.823 19.000 -0.001 0.000 0.820 64 A HN 0.667 nan 8.150 nan 0.000 0.451 65 T N -2.312 112.245 114.554 0.004 0.000 2.833 65 T HA -0.160 4.189 4.350 -0.000 0.000 0.269 65 T C 1.803 176.508 174.700 0.008 0.000 1.054 65 T CA 1.773 63.877 62.100 0.007 0.000 1.135 65 T CB -0.182 68.689 68.868 0.006 0.000 0.869 65 T HN 0.401 nan 8.240 nan 0.000 0.466 66 K N 1.375 121.778 120.400 0.006 0.000 2.062 66 K HA 0.207 4.527 4.320 -0.000 0.000 0.205 66 K C 2.206 178.812 176.600 0.010 0.000 1.051 66 K CA 0.968 57.260 56.287 0.007 0.000 0.941 66 K CB -0.846 31.657 32.500 0.004 0.000 0.719 66 K HN 0.452 nan 8.250 nan 0.000 0.440 67 L N -0.236 120.993 121.223 0.011 0.000 2.042 67 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 67 L C 2.435 179.316 176.870 0.019 0.000 1.076 67 L CA 1.534 56.383 54.840 0.015 0.000 0.749 67 L CB -1.068 40.999 42.059 0.015 0.000 0.893 67 L HN 0.441 nan 8.230 nan 0.000 0.432 68 G N -0.699 108.111 108.800 0.017 0.000 2.476 68 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.218 68 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.218 68 G C 1.741 176.653 174.900 0.020 0.000 1.164 68 G CA 1.074 46.185 45.100 0.020 0.000 0.768 68 G HN 0.360 nan 8.290 nan 0.000 0.560 69 S N 0.409 116.119 115.700 0.017 0.000 2.368 69 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 69 S C 2.286 176.896 174.600 0.018 0.000 1.030 69 S CA 0.943 59.152 58.200 0.016 0.000 0.999 69 S CB -0.211 62.997 63.200 0.013 0.000 0.844 69 S HN 0.390 nan 8.310 nan 0.000 0.459 70 I N 1.578 122.159 120.570 0.019 0.000 2.179 70 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 70 I C 2.681 178.814 176.117 0.027 0.000 1.088 70 I CA 1.182 62.495 61.300 0.022 0.000 1.357 70 I CB -0.464 37.549 38.000 0.021 0.000 1.051 70 I HN 0.268 nan 8.210 nan 0.000 0.409 71 A N 0.867 123.705 122.820 0.029 0.000 1.902 71 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 71 A C 2.299 179.902 177.584 0.033 0.000 1.181 71 A CA 1.499 53.557 52.037 0.035 0.000 0.623 71 A CB -0.814 18.209 19.000 0.037 0.000 0.818 71 A HN 0.380 nan 8.150 nan 0.000 0.443 72 I N -0.733 119.853 120.570 0.026 0.000 2.179 72 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 72 I C 2.855 178.984 176.117 0.020 0.000 1.088 72 I CA 1.556 62.869 61.300 0.021 0.000 1.357 72 I CB -0.500 37.511 38.000 0.018 0.000 1.051 72 I HN 0.435 nan 8.210 nan 0.000 0.409 73 Q N 0.517 120.329 119.800 0.019 0.000 2.077 73 Q HA -0.207 4.132 4.340 -0.000 0.000 0.206 73 Q C 2.348 178.362 176.000 0.022 0.000 0.989 73 Q CA 1.902 57.716 55.803 0.018 0.000 0.853 73 Q CB -0.531 28.218 28.738 0.018 0.000 0.907 73 Q HN 0.672 nan 8.270 nan 0.000 0.418 74 G N 0.592 109.409 108.800 0.028 0.000 2.446 74 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 74 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 74 G C 1.481 176.403 174.900 0.037 0.000 1.168 74 G CA 1.072 46.192 45.100 0.034 0.000 0.771 74 G HN 0.454 nan 8.290 nan 0.000 0.551 75 A N 0.493 123.335 122.820 0.037 0.000 1.933 75 A HA 0.068 4.388 4.320 -0.000 0.000 0.218 75 A C 2.412 180.012 177.584 0.026 0.000 1.175 75 A CA 1.328 53.387 52.037 0.037 0.000 0.628 75 A CB -0.311 18.708 19.000 0.033 0.000 0.814 75 A HN 0.397 nan 8.150 nan 0.000 0.444 76 I N -0.737 119.845 120.570 0.019 0.000 2.286 76 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 76 I C 2.471 178.596 176.117 0.014 0.000 1.104 76 I CA 1.300 62.608 61.300 0.012 0.000 1.397 76 I CB -0.360 37.645 38.000 0.008 0.000 1.072 76 I HN 0.396 nan 8.210 nan 0.000 0.417 77 E N 0.809 121.020 120.200 0.018 0.000 2.058 77 E HA -0.278 4.071 4.350 -0.000 0.000 0.194 77 E C 2.076 178.689 176.600 0.022 0.000 0.997 77 E CA 1.366 57.777 56.400 0.019 0.000 0.801 77 E CB 0.003 29.716 29.700 0.021 0.000 0.746 77 E HN 0.194 nan 8.360 nan 0.000 0.450 78 K N 0.249 120.667 120.400 0.029 0.000 2.211 78 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 78 K C 1.691 178.309 176.600 0.029 0.000 1.050 78 K CA 1.012 57.321 56.287 0.037 0.000 0.945 78 K CB -0.120 32.414 32.500 0.057 0.000 0.732 78 K HN 0.121 nan 8.250 nan 0.000 0.451 79 A N -0.196 122.636 122.820 0.020 0.000 2.014 79 A HA 0.144 4.464 4.320 -0.000 0.000 0.218 79 A C 1.336 178.923 177.584 0.006 0.000 1.163 79 A CA 1.032 53.075 52.037 0.009 0.000 0.652 79 A CB -0.658 18.344 19.000 0.004 0.000 0.808 79 A HN 0.349 nan 8.150 nan 0.000 0.449 80 G N -0.256 108.548 108.800 0.008 0.000 2.298 80 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.287 80 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.287 80 G C -0.013 174.888 174.900 0.002 0.000 1.075 80 G CA 0.517 45.620 45.100 0.006 0.000 0.960 80 G HN 1.498 nan 8.290 nan 0.000 0.502 81 I N -3.204 117.368 120.570 0.002 0.000 2.892 81 I HA 0.832 5.002 4.170 -0.000 0.000 0.306 81 I C -2.328 173.790 176.117 0.000 0.000 1.078 81 I CA -3.404 57.895 61.300 -0.001 0.000 1.032 81 I CB 1.826 39.824 38.000 -0.004 0.000 1.229 81 I HN -0.096 nan 8.210 nan 0.000 0.435 82 P HA 0.207 nan 4.420 nan 0.000 0.268 82 P C -0.077 177.223 177.300 -0.001 0.000 1.205 82 P CA -0.330 62.770 63.100 -0.000 0.000 0.771 82 P CB 0.714 32.413 31.700 -0.001 0.000 0.858 83 K N 1.325 121.726 120.400 0.000 0.000 2.152 83 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 83 K C 1.303 177.902 176.600 -0.002 0.000 1.048 83 K CA 1.547 57.834 56.287 -0.000 0.000 0.933 83 K CB -0.051 32.450 32.500 0.002 0.000 0.721 83 K HN 0.463 nan 8.250 nan 0.000 0.447 84 E N 0.616 120.815 120.200 -0.002 0.000 2.338 84 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 84 E C 1.448 178.046 176.600 -0.005 0.000 1.007 84 E CA 0.679 57.078 56.400 -0.002 0.000 0.849 84 E CB 0.089 29.788 29.700 -0.001 0.000 0.774 84 E HN 0.196 nan 8.360 nan 0.000 0.506 85 E N -0.014 120.182 120.200 -0.006 0.000 2.285 85 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 85 E C 0.046 176.638 176.600 -0.013 0.000 0.997 85 E CA 0.180 56.575 56.400 -0.008 0.000 0.845 85 E CB 0.258 29.954 29.700 -0.008 0.000 0.782 85 E HN 0.063 nan 8.360 nan 0.000 0.491 86 V N 3.273 123.179 119.914 -0.014 0.000 2.446 86 V HA -0.031 4.089 4.120 -0.000 0.000 0.276 86 V C 1.337 177.417 176.094 -0.024 0.000 1.030 86 V CA 0.341 62.628 62.300 -0.023 0.000 1.033 86 V CB 0.919 32.730 31.823 -0.020 0.000 0.993 86 V HN 0.001 nan 8.190 nan 0.000 0.477 87 K N 3.205 123.585 120.400 -0.034 0.000 2.284 87 K HA 0.249 4.569 4.320 -0.000 0.000 0.198 87 K C 0.593 177.171 176.600 -0.037 0.000 1.048 87 K CA 0.468 56.738 56.287 -0.029 0.000 0.987 87 K CB 0.637 33.122 32.500 -0.026 0.000 0.800 87 K HN 0.815 nan 8.250 nan 0.000 0.486 88 E N -1.224 118.936 120.200 -0.067 0.000 2.401 88 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 88 E C -2.016 174.503 176.600 -0.134 0.000 1.039 88 E CA -0.575 55.773 56.400 -0.087 0.000 0.814 88 E CB 1.956 31.585 29.700 -0.118 0.000 1.275 88 E HN 0.008 nan 8.360 nan 0.000 0.448 89 A N 2.373 125.143 122.820 -0.084 0.000 2.398 89 A HA 0.684 5.003 4.320 -0.000 0.000 0.301 89 A C -2.002 175.657 177.584 0.125 0.000 1.041 89 A CA -0.516 51.492 52.037 -0.047 0.000 0.711 89 A CB 0.853 19.857 19.000 0.008 0.000 1.240 89 A HN 0.414 nan 8.150 nan 0.000 0.420 90 Y N 1.892 122.188 120.300 -0.005 0.000 2.364 90 Y HA 0.702 5.252 4.550 -0.000 0.000 0.340 90 Y C -0.042 175.852 175.900 -0.010 0.000 0.975 90 Y CA -1.922 56.173 58.100 -0.009 0.000 1.089 90 Y CB 1.911 40.361 38.460 -0.016 0.000 1.192 90 Y HN 0.517 nan 8.280 nan 0.000 0.454 91 M N 2.411 122.096 119.600 0.141 0.000 2.263 91 M HA 0.413 4.893 4.480 -0.000 0.000 0.295 91 M C 0.344 176.665 176.300 0.035 0.000 1.028 91 M CA -0.808 54.535 55.300 0.072 0.000 0.921 91 M CB 1.934 34.565 32.600 0.050 0.000 1.601 91 M HN 0.778 nan 8.290 nan 0.000 0.440 92 G N 2.164 110.978 108.800 0.024 0.000 2.491 92 G HA2 0.342 4.302 3.960 -0.000 0.000 0.242 92 G HA3 0.342 4.302 3.960 -0.000 0.000 0.242 92 G C -0.305 174.593 174.900 -0.003 0.000 1.266 92 G CA -0.225 44.877 45.100 0.002 0.000 0.844 92 G HN 0.879 nan 8.290 nan 0.000 0.571 93 N N 1.360 120.050 118.700 -0.017 0.000 3.392 93 N HA 0.030 4.769 4.740 -0.000 0.000 0.223 93 N C 0.270 175.760 175.510 -0.034 0.000 1.137 93 N CA -0.684 52.353 53.050 -0.022 0.000 0.991 93 N CB 1.293 39.772 38.487 -0.013 0.000 1.602 93 N HN 0.148 nan 8.380 nan 0.000 0.702 94 V N 3.012 122.898 119.914 -0.046 0.000 2.500 94 V HA 0.111 4.231 4.120 -0.000 0.000 0.243 94 V C 0.824 176.885 176.094 -0.055 0.000 1.039 94 V CA 0.919 63.184 62.300 -0.058 0.000 1.053 94 V CB -0.049 31.725 31.823 -0.081 0.000 0.695 94 V HN 0.578 nan 8.190 nan 0.000 0.463 95 L N 0.860 122.051 121.223 -0.053 0.000 2.426 95 L HA 0.353 4.692 4.340 -0.000 0.000 0.255 95 L C 0.830 177.678 176.870 -0.037 0.000 1.080 95 L CA 0.095 54.905 54.840 -0.050 0.000 0.960 95 L CB 0.838 42.862 42.059 -0.059 0.000 1.326 95 L HN 0.203 nan 8.230 nan 0.000 0.441 96 Q N 1.200 120.981 119.800 -0.032 0.000 2.425 96 Q HA 0.116 4.455 4.340 -0.000 0.000 0.204 96 Q C 1.291 177.279 176.000 -0.020 0.000 0.933 96 Q CA -0.073 55.716 55.803 -0.024 0.000 0.939 96 Q CB 0.547 29.272 28.738 -0.022 0.000 1.044 96 Q HN 0.731 nan 8.270 nan 0.000 0.513 97 G N 0.073 108.859 108.800 -0.023 0.000 2.254 97 G HA2 0.292 4.252 3.960 -0.000 0.000 0.253 97 G HA3 0.292 4.252 3.960 -0.000 0.000 0.253 97 G C 0.858 175.749 174.900 -0.015 0.000 1.246 97 G CA 0.282 45.371 45.100 -0.018 0.000 0.946 97 G HN 0.341 nan 8.290 nan 0.000 0.474 98 G N 1.954 110.750 108.800 -0.008 0.000 2.179 98 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 98 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 98 G C 0.853 175.750 174.900 -0.005 0.000 0.977 98 G CA 0.610 45.708 45.100 -0.004 0.000 0.641 98 G HN 0.692 nan 8.290 nan 0.000 0.533 99 E N 0.322 120.518 120.200 -0.007 0.000 2.482 99 E HA 0.386 4.735 4.350 -0.000 0.000 0.196 99 E C 1.570 178.168 176.600 -0.002 0.000 1.047 99 E CA 0.454 56.851 56.400 -0.005 0.000 0.869 99 E CB 0.089 29.785 29.700 -0.007 0.000 0.836 99 E HN 1.575 nan 8.360 nan 0.000 0.520 100 G N 1.608 110.407 108.800 -0.002 0.000 2.710 100 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.668 100 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.668 100 G C -0.697 174.203 174.900 -0.000 0.000 1.320 100 G CA -0.682 44.418 45.100 -0.000 0.000 0.860 100 G HN 0.188 nan 8.290 nan 0.000 0.538 101 Q N 0.121 119.921 119.800 0.001 0.000 2.337 101 Q HA 0.468 4.808 4.340 -0.000 0.000 0.270 101 Q C 1.021 177.023 176.000 0.003 0.000 1.002 101 Q CA 0.838 56.642 55.803 0.001 0.000 0.888 101 Q CB 0.299 29.039 28.738 0.002 0.000 1.222 101 Q HN 2.466 nan 8.270 nan 0.000 0.400 102 A N 4.850 127.671 122.820 0.002 0.000 2.136 102 A HA -0.138 4.182 4.320 -0.000 0.000 0.274 102 A C -1.937 175.651 177.584 0.007 0.000 1.388 102 A CA 0.125 52.165 52.037 0.005 0.000 0.741 102 A CB -1.205 17.800 19.000 0.009 0.000 1.173 102 A HN 0.816 nan 8.150 nan 0.000 0.329 103 P HA -0.197 nan 4.420 nan 0.000 0.216 103 P C 1.810 179.118 177.300 0.013 0.000 1.154 103 P CA 2.189 65.292 63.100 0.006 0.000 0.865 103 P CB -0.029 31.672 31.700 0.001 0.000 0.789 104 T N -0.951 113.614 114.554 0.019 0.000 2.746 104 T HA -0.170 4.179 4.350 -0.000 0.000 0.267 104 T C 1.889 176.607 174.700 0.029 0.000 1.039 104 T CA 1.493 63.611 62.100 0.031 0.000 1.142 104 T CB -0.509 68.388 68.868 0.049 0.000 0.866 104 T HN 0.031 nan 8.240 nan 0.000 0.444 105 R N 1.342 121.858 120.500 0.026 0.000 2.091 105 R HA -0.069 4.271 4.340 -0.000 0.000 0.238 105 R C 2.447 178.756 176.300 0.016 0.000 1.136 105 R CA 1.598 57.711 56.100 0.022 0.000 0.959 105 R CB -0.446 29.865 30.300 0.019 0.000 0.856 105 R HN 0.488 nan 8.270 nan 0.000 0.437 106 Q N -0.763 119.045 119.800 0.014 0.000 2.096 106 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 106 Q C 2.124 178.131 176.000 0.012 0.000 0.982 106 Q CA 1.748 57.557 55.803 0.011 0.000 0.850 106 Q CB -0.236 28.507 28.738 0.008 0.000 0.901 106 Q HN 0.486 nan 8.270 nan 0.000 0.422 107 A N 0.270 123.098 122.820 0.014 0.000 1.902 107 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 107 A C 2.325 179.918 177.584 0.015 0.000 1.181 107 A CA 1.335 53.382 52.037 0.015 0.000 0.623 107 A CB -0.630 18.381 19.000 0.019 0.000 0.818 107 A HN 0.208 nan 8.150 nan 0.000 0.443 108 V N 0.068 119.992 119.914 0.017 0.000 2.323 108 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 108 V C 2.559 178.660 176.094 0.012 0.000 1.041 108 V CA 1.830 64.139 62.300 0.015 0.000 1.025 108 V CB -0.685 31.148 31.823 0.017 0.000 0.656 108 V HN 0.556 nan 8.190 nan 0.000 0.451 109 L N 0.399 121.629 121.223 0.012 0.000 2.093 109 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 109 L C 2.590 179.465 176.870 0.009 0.000 1.085 109 L CA 1.626 56.471 54.840 0.009 0.000 0.755 109 L CB -1.118 40.947 42.059 0.009 0.000 0.904 109 L HN 0.481 nan 8.230 nan 0.000 0.435 110 G N -0.422 108.383 108.800 0.009 0.000 2.498 110 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.219 110 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.219 110 G C 1.473 176.379 174.900 0.009 0.000 1.119 110 G CA 0.695 45.800 45.100 0.009 0.000 0.766 110 G HN 0.464 nan 8.290 nan 0.000 0.552 111 A N -0.424 122.402 122.820 0.010 0.000 2.275 111 A HA 0.500 4.820 4.320 -0.000 0.000 0.212 111 A C 1.907 179.497 177.584 0.009 0.000 1.201 111 A CA 1.109 53.152 52.037 0.011 0.000 0.843 111 A CB -0.333 18.674 19.000 0.012 0.000 0.873 111 A HN 1.480 nan 8.150 nan 0.000 0.492 112 G N -1.185 107.620 108.800 0.008 0.000 2.147 112 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.244 112 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.244 112 G C -0.093 174.810 174.900 0.006 0.000 1.005 112 G CA 0.332 45.436 45.100 0.007 0.000 0.713 112 G HN 0.345 nan 8.290 nan 0.000 0.515 113 L N 0.756 121.983 121.223 0.006 0.000 2.439 113 L HA 0.536 4.876 4.340 -0.000 0.000 0.261 113 L C -1.428 175.444 176.870 0.004 0.000 1.153 113 L CA -1.747 53.095 54.840 0.004 0.000 0.808 113 L CB 0.145 42.206 42.059 0.004 0.000 1.126 113 L HN -0.094 nan 8.230 nan 0.000 0.460 114 P HA 0.002 nan 4.420 nan 0.000 0.267 114 P C 0.936 178.238 177.300 0.004 0.000 1.200 114 P CA -0.249 62.852 63.100 0.003 0.000 0.772 114 P CB 0.312 32.013 31.700 0.002 0.000 0.855 115 I N 0.602 121.175 120.570 0.005 0.000 2.916 115 I HA -0.127 4.043 4.170 -0.000 0.000 0.267 115 I C 1.001 177.122 176.117 0.006 0.000 1.263 115 I CA 1.711 63.015 61.300 0.006 0.000 1.471 115 I CB -1.878 36.125 38.000 0.005 0.000 1.089 115 I HN 0.221 nan 8.210 nan 0.000 0.468 116 S N 0.252 115.954 115.700 0.005 0.000 2.603 116 S HA 0.058 4.528 4.470 -0.000 0.000 0.220 116 S C 0.763 175.367 174.600 0.005 0.000 0.967 116 S CA -0.250 57.953 58.200 0.005 0.000 0.920 116 S CB -1.165 62.036 63.200 0.003 0.000 0.773 116 S HN 0.507 nan 8.310 nan 0.000 0.529 117 T N 5.082 119.640 114.554 0.006 0.000 2.747 117 T HA 0.414 4.764 4.350 -0.000 0.000 0.301 117 T C -2.663 172.047 174.700 0.016 0.000 0.952 117 T CA -1.215 60.889 62.100 0.006 0.000 0.983 117 T CB 0.872 69.742 68.868 0.004 0.000 0.930 117 T HN 0.211 nan 8.240 nan 0.000 0.494 118 P HA 0.354 nan 4.420 nan 0.000 0.271 118 P C -0.800 176.538 177.300 0.063 0.000 1.218 118 P CA -0.498 62.626 63.100 0.041 0.000 0.780 118 P CB 0.432 32.161 31.700 0.047 0.000 0.901 119 C N 1.500 120.848 119.300 0.079 0.000 2.609 119 C HA 0.666 5.126 4.460 -0.000 0.000 0.313 119 C C -0.391 174.666 174.990 0.113 0.000 1.175 119 C CA -0.180 58.900 59.018 0.104 0.000 1.434 119 C CB 1.685 29.463 27.740 0.063 0.000 2.005 119 C HN 0.504 nan 8.230 nan 0.000 0.471 120 T N 1.840 116.489 114.554 0.158 0.000 2.916 120 T HA 0.510 4.859 4.350 -0.000 0.000 0.298 120 T C -0.490 174.214 174.700 0.007 0.000 1.031 120 T CA -0.312 61.811 62.100 0.038 0.000 0.993 120 T CB 1.716 70.528 68.868 -0.094 0.000 1.045 120 T HN 0.630 nan 8.240 nan 0.000 0.454 121 T N 4.030 118.568 114.554 -0.026 0.000 2.767 121 T HA 0.529 4.879 4.350 -0.000 0.000 0.284 121 T C -0.129 174.534 174.700 -0.062 0.000 0.973 121 T CA -0.671 61.414 62.100 -0.025 0.000 0.996 121 T CB 0.351 69.211 68.868 -0.012 0.000 0.927 121 T HN 0.322 nan 8.240 nan 0.000 0.456 122 I N 3.817 124.352 120.570 -0.059 0.000 2.404 122 I HA 0.426 4.595 4.170 -0.000 0.000 0.293 122 I C 0.074 176.161 176.117 -0.051 0.000 0.992 122 I CA -0.919 60.334 61.300 -0.078 0.000 1.149 122 I CB 1.546 39.495 38.000 -0.086 0.000 1.315 122 I HN 0.544 nan 8.210 nan 0.000 0.446 123 N N 5.535 124.205 118.700 -0.050 0.000 2.576 123 N HA 0.216 4.956 4.740 -0.000 0.000 0.269 123 N C -0.522 174.968 175.510 -0.034 0.000 1.058 123 N CA -0.238 52.788 53.050 -0.040 0.000 0.860 123 N CB 1.137 39.600 38.487 -0.039 0.000 1.249 123 N HN 0.577 nan 8.380 nan 0.000 0.525 124 K N 3.843 124.226 120.400 -0.029 0.000 3.045 124 K HA 0.243 4.563 4.320 -0.000 0.000 0.211 124 K C -0.471 176.114 176.600 -0.024 0.000 1.141 124 K CA -0.414 55.861 56.287 -0.019 0.000 1.036 124 K CB -0.046 32.449 32.500 -0.008 0.000 0.851 124 K HN 0.361 nan 8.250 nan 0.000 0.462 128 S N 0.511 116.214 115.700 0.005 0.000 2.372 128 S HA -0.165 4.305 4.470 -0.000 0.000 0.227 128 S C 2.038 176.639 174.600 0.003 0.000 1.044 128 S CA 2.228 60.425 58.200 -0.005 0.000 1.050 128 S CB -0.499 62.691 63.200 -0.016 0.000 0.901 128 S HN 1.085 nan 8.310 nan 0.000 0.447 129 G N 0.689 109.499 108.800 0.016 0.000 2.432 129 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 129 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 129 G C 1.362 176.271 174.900 0.014 0.000 1.135 129 G CA 0.891 46.005 45.100 0.022 0.000 0.767 129 G HN 0.454 nan 8.290 nan 0.000 0.550 130 M N -0.381 119.226 119.600 0.011 0.000 2.193 130 M HA 0.149 4.628 4.480 -0.000 0.000 0.265 130 M C 2.484 178.757 176.300 -0.045 0.000 1.071 130 M CA 1.499 56.794 55.300 -0.008 0.000 1.140 130 M CB 0.050 32.658 32.600 0.013 0.000 1.369 130 M HN 0.144 nan 8.290 nan 0.000 0.423 131 K N 0.878 121.260 120.400 -0.030 0.000 2.103 131 K HA -0.052 4.268 4.320 -0.000 0.000 0.207 131 K C 1.673 178.244 176.600 -0.048 0.000 1.048 131 K CA 1.756 58.014 56.287 -0.048 0.000 0.930 131 K CB -0.567 31.918 32.500 -0.025 0.000 0.716 131 K HN 0.428 nan 8.250 nan 0.000 0.444 132 A N 0.701 123.514 122.820 -0.011 0.000 1.883 132 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 132 A C 2.220 179.844 177.584 0.068 0.000 1.186 132 A CA 1.915 53.988 52.037 0.060 0.000 0.624 132 A CB -0.737 18.310 19.000 0.077 0.000 0.822 132 A HN 0.343 nan 8.150 nan 0.000 0.444 133 I N -0.846 119.711 120.570 -0.022 0.000 2.208 133 I HA -0.331 3.838 4.170 -0.000 0.000 0.245 133 I C 2.732 178.717 176.117 -0.221 0.000 1.097 133 I CA 1.714 62.962 61.300 -0.086 0.000 1.363 133 I CB -0.381 37.565 38.000 -0.089 0.000 1.051 133 I HN 0.345 nan 8.210 nan 0.000 0.413 134 M N -0.350 119.034 119.600 -0.361 0.000 2.086 134 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 134 M C 2.435 178.490 176.300 -0.408 0.000 1.067 134 M CA 2.039 56.861 55.300 -0.797 0.000 1.116 134 M CB -0.357 31.820 32.600 -0.705 0.000 1.348 134 M HN 0.183 nan 8.290 nan 0.000 0.407 135 M N -0.408 119.132 119.600 -0.100 0.000 2.175 135 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 135 M C 2.448 178.897 176.300 0.248 0.000 1.063 135 M CA 1.501 56.861 55.300 0.099 0.000 1.119 135 M CB -0.545 32.104 32.600 0.081 0.000 1.377 135 M HN 0.368 nan 8.290 nan 0.000 0.415 136 A N -0.028 122.914 122.820 0.204 0.000 1.877 136 A HA -0.146 4.173 4.320 -0.000 0.000 0.216 136 A C 2.288 179.853 177.584 -0.033 0.000 1.186 136 A CA 2.136 54.149 52.037 -0.040 0.000 0.620 136 A CB -0.878 18.022 19.000 -0.168 0.000 0.822 136 A HN 0.438 nan 8.150 nan 0.000 0.443 137 S N -0.157 115.518 115.700 -0.043 0.000 2.387 137 S HA -0.260 4.210 4.470 -0.000 0.000 0.230 137 S C 2.057 176.725 174.600 0.113 0.000 1.035 137 S CA 1.775 59.989 58.200 0.024 0.000 1.014 137 S CB -0.374 62.838 63.200 0.020 0.000 0.836 137 S HN 0.716 nan 8.310 nan 0.000 0.466 138 Q N 0.432 120.317 119.800 0.142 0.000 2.119 138 Q HA -0.051 4.289 4.340 -0.000 0.000 0.201 138 Q C 2.466 178.507 176.000 0.069 0.000 0.972 138 Q CA 1.347 57.246 55.803 0.160 0.000 0.847 138 Q CB -0.250 28.602 28.738 0.190 0.000 0.903 138 Q HN 0.523 nan 8.270 nan 0.000 0.433 139 S N 0.205 115.950 115.700 0.074 0.000 2.368 139 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 139 S C 1.806 176.397 174.600 -0.015 0.000 1.029 139 S CA 0.717 58.948 58.200 0.051 0.000 0.988 139 S CB 0.001 63.250 63.200 0.081 0.000 0.838 139 S HN 0.197 nan 8.310 nan 0.000 0.462 140 L N 1.331 122.548 121.223 -0.010 0.000 2.093 140 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 140 L C 2.579 179.434 176.870 -0.026 0.000 1.085 140 L CA 1.685 56.515 54.840 -0.017 0.000 0.755 140 L CB -0.709 41.344 42.059 -0.011 0.000 0.904 140 L HN 0.389 nan 8.230 nan 0.000 0.435 141 M N -2.224 117.369 119.600 -0.012 0.000 2.159 141 M HA -0.254 4.225 4.480 -0.000 0.000 0.263 141 M C 2.236 178.486 176.300 -0.084 0.000 1.063 141 M CA 1.344 56.631 55.300 -0.022 0.000 1.110 141 M CB -0.604 32.006 32.600 0.016 0.000 1.374 141 M HN 0.269 nan 8.290 nan 0.000 0.411 142 C N 0.316 119.509 119.300 -0.177 0.000 2.491 142 C HA 0.130 4.590 4.460 -0.000 0.000 0.277 142 C C 1.805 176.608 174.990 -0.312 0.000 1.455 142 C CA 0.677 59.477 59.018 -0.364 0.000 1.758 142 C CB -1.612 25.625 27.740 -0.837 0.000 1.745 142 C HN 0.873 nan 8.230 nan 0.000 0.558 143 G N -0.207 108.504 108.800 -0.148 0.000 2.153 143 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.252 143 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.252 143 G C 0.334 175.282 174.900 0.080 0.000 0.994 143 G CA 0.750 45.834 45.100 -0.026 0.000 0.698 143 G HN 0.747 nan 8.290 nan 0.000 0.521 144 H N -0.781 118.296 119.070 0.012 0.000 2.512 144 H HA 0.157 4.713 4.556 -0.000 0.000 0.279 144 H C 1.195 176.523 175.328 -0.001 0.000 0.999 144 H CA 1.023 57.078 56.048 0.011 0.000 1.283 144 H CB 0.298 30.074 29.762 0.023 0.000 1.421 144 H HN 0.390 nan 8.280 nan 0.000 0.554 145 Q N 0.210 120.070 119.800 0.101 0.000 2.456 145 Q HA 0.054 4.394 4.340 -0.000 0.000 0.284 145 Q C -0.372 175.633 176.000 0.009 0.000 1.061 145 Q CA -0.312 55.512 55.803 0.034 0.000 0.799 145 Q CB 2.112 30.847 28.738 -0.005 0.000 1.445 145 Q HN 0.341 nan 8.270 nan 0.000 0.411 146 D N -1.229 119.169 120.400 -0.002 0.000 2.423 146 D HA 0.112 4.752 4.640 -0.000 0.000 0.212 146 D C 0.205 176.493 176.300 -0.020 0.000 1.060 146 D CA 0.307 54.302 54.000 -0.009 0.000 0.872 146 D CB 0.872 41.670 40.800 -0.003 0.000 1.012 146 D HN 0.132 nan 8.370 nan 0.000 0.503 147 V N 1.025 120.922 119.914 -0.029 0.000 2.612 147 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 147 V C -0.582 175.477 176.094 -0.059 0.000 1.059 147 V CA -0.568 61.709 62.300 -0.037 0.000 0.886 147 V CB 1.848 33.655 31.823 -0.027 0.000 1.007 147 V HN 0.059 nan 8.190 nan 0.000 0.426 148 M N 3.563 123.118 119.600 -0.076 0.000 2.619 148 M HA 0.687 5.167 4.480 -0.000 0.000 0.297 148 M C -1.286 174.960 176.300 -0.091 0.000 1.229 148 M CA -0.949 54.282 55.300 -0.114 0.000 0.860 148 M CB 2.833 35.314 32.600 -0.198 0.000 1.741 148 M HN 0.358 nan 8.290 nan 0.000 0.462 149 V N 1.433 121.292 119.914 -0.092 0.000 2.435 149 V HA 0.882 5.002 4.120 -0.000 0.000 0.290 149 V C -0.537 175.521 176.094 -0.061 0.000 1.030 149 V CA -0.409 61.858 62.300 -0.056 0.000 0.881 149 V CB 1.531 33.338 31.823 -0.027 0.000 0.983 149 V HN 0.922 nan 8.190 nan 0.000 0.445 150 A N 3.295 126.098 122.820 -0.030 0.000 2.475 150 A HA 1.042 5.362 4.320 -0.000 0.000 0.301 150 A C -0.015 177.582 177.584 0.021 0.000 1.059 150 A CA 0.131 52.172 52.037 0.006 0.000 0.710 150 A CB 2.138 21.135 19.000 -0.004 0.000 1.288 150 A HN 1.412 nan 8.150 nan 0.000 0.408 151 G N -0.720 108.104 108.800 0.040 0.000 2.435 151 G HA2 0.710 4.670 3.960 -0.000 0.000 0.228 151 G HA3 0.710 4.670 3.960 -0.000 0.000 0.228 151 G C -0.310 174.612 174.900 0.037 0.000 1.198 151 G CA 0.444 45.565 45.100 0.035 0.000 0.948 151 G HN 2.039 nan 8.290 nan 0.000 0.487 152 G N -0.641 108.179 108.800 0.034 0.000 2.673 152 G HA2 0.745 4.704 3.960 -0.000 0.000 0.292 152 G HA3 0.745 4.704 3.960 -0.000 0.000 0.292 152 G C -0.777 174.137 174.900 0.024 0.000 1.450 152 G CA 0.046 45.162 45.100 0.027 0.000 0.837 152 G HN 1.511 nan 8.290 nan 0.000 0.505 153 M N -0.259 119.350 119.600 0.015 0.000 2.465 153 M HA 0.914 5.394 4.480 -0.000 0.000 0.284 153 M C -1.762 174.538 176.300 -0.000 0.000 1.212 153 M CA -0.951 54.356 55.300 0.012 0.000 0.910 153 M CB 2.802 35.410 32.600 0.013 0.000 1.725 153 M HN 0.469 nan 8.290 nan 0.000 0.477 154 E N 0.774 120.974 120.200 -0.000 0.000 2.354 154 E HA 0.477 4.827 4.350 -0.000 0.000 0.283 154 E C -1.947 174.654 176.600 0.002 0.000 0.938 154 E CA -0.169 56.225 56.400 -0.010 0.000 0.777 154 E CB 2.514 32.195 29.700 -0.031 0.000 1.222 154 E HN 0.720 nan 8.360 nan 0.000 0.423 155 S N 4.834 120.537 115.700 0.004 0.000 2.532 155 S HA 0.290 4.760 4.470 -0.000 0.000 0.256 155 S C 0.609 175.229 174.600 0.033 0.000 1.298 155 S CA -0.361 57.849 58.200 0.016 0.000 1.166 155 S CB 0.107 63.309 63.200 0.004 0.000 1.022 155 S HN 0.703 nan 8.310 nan 0.000 0.480 156 M N 1.928 121.572 119.600 0.073 0.000 2.296 156 M HA -0.042 4.438 4.480 -0.000 0.000 0.265 156 M C 2.203 178.654 176.300 0.251 0.000 1.064 156 M CA 1.019 56.401 55.300 0.136 0.000 1.109 156 M CB -0.333 32.339 32.600 0.121 0.000 1.396 156 M HN 0.550 nan 8.290 nan 0.000 0.430 157 S N 0.881 116.669 115.700 0.147 0.000 2.402 157 S HA -0.101 4.369 4.470 -0.000 0.000 0.233 157 S C 1.397 175.954 174.600 -0.072 0.000 1.030 157 S CA 1.142 59.281 58.200 -0.101 0.000 1.003 157 S CB -0.340 62.761 63.200 -0.164 0.000 0.813 157 S HN 0.503 nan 8.310 nan 0.000 0.477 158 N N 0.934 119.621 118.700 -0.021 0.000 2.230 158 N HA 0.150 4.890 4.740 -0.000 0.000 0.202 158 N C -0.502 174.992 175.510 -0.027 0.000 1.119 158 N CA 0.074 53.108 53.050 -0.028 0.000 0.851 158 N CB 0.528 39.001 38.487 -0.023 0.000 0.990 158 N HN 0.157 nan 8.380 nan 0.000 0.497 159 V N 4.304 124.205 119.914 -0.023 0.000 2.521 159 V HA 0.108 4.228 4.120 -0.000 0.000 0.286 159 V C -1.466 174.546 176.094 -0.137 0.000 1.034 159 V CA -0.737 61.527 62.300 -0.060 0.000 1.045 159 V CB 0.753 32.545 31.823 -0.052 0.000 0.974 159 V HN 0.135 nan 8.190 nan 0.000 0.480 160 P HA 0.385 nan 4.420 nan 0.000 0.284 160 P C -1.306 175.836 177.300 -0.263 0.000 1.292 160 P CA -0.589 62.428 63.100 -0.139 0.000 0.800 160 P CB 0.830 32.520 31.700 -0.017 0.000 1.188 161 Y N -1.213 119.100 120.300 0.021 0.000 2.403 161 Y HA 0.438 4.987 4.550 -0.000 0.000 0.323 161 Y C 0.751 176.657 175.900 0.010 0.000 1.226 161 Y CA -0.585 57.526 58.100 0.018 0.000 1.235 161 Y CB 1.321 39.793 38.460 0.019 0.000 1.248 161 Y HN 0.114 nan 8.280 nan 0.000 0.489 162 V N 0.527 120.538 119.914 0.161 0.000 2.815 162 V HA 0.656 4.776 4.120 -0.000 0.000 0.314 162 V C -0.649 175.491 176.094 0.076 0.000 1.064 162 V CA -1.168 61.185 62.300 0.089 0.000 0.952 162 V CB 1.957 33.808 31.823 0.047 0.000 1.020 162 V HN 0.868 nan 8.190 nan 0.000 0.439 163 M N 3.326 122.956 119.600 0.050 0.000 2.321 163 M HA 0.562 5.041 4.480 -0.000 0.000 0.315 163 M C -0.672 175.643 176.300 0.024 0.000 1.052 163 M CA -0.525 54.795 55.300 0.033 0.000 0.936 163 M CB 1.612 34.227 32.600 0.025 0.000 1.639 163 M HN 0.880 nan 8.290 nan 0.000 0.433 164 N N 3.582 122.294 118.700 0.019 0.000 2.353 164 N HA 0.016 4.756 4.740 -0.000 0.000 0.248 164 N C -0.495 175.023 175.510 0.013 0.000 1.240 164 N CA 0.301 53.360 53.050 0.015 0.000 0.862 164 N CB 0.429 38.924 38.487 0.013 0.000 1.086 164 N HN 0.632 nan 8.380 nan 0.000 0.453 165 R N 0.703 121.210 120.500 0.011 0.000 2.590 165 R HA 0.385 4.725 4.340 -0.000 0.000 0.274 165 R C 0.761 177.067 176.300 0.010 0.000 1.061 165 R CA 0.657 56.763 56.100 0.010 0.000 1.081 165 R CB -0.028 30.277 30.300 0.008 0.000 0.984 165 R HN 0.773 nan 8.270 nan 0.000 0.448 166 G N 1.165 109.971 108.800 0.010 0.000 2.255 166 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 166 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 166 G C -1.263 173.645 174.900 0.013 0.000 1.307 166 G CA -0.237 44.869 45.100 0.011 0.000 1.162 166 G HN 0.641 nan 8.290 nan 0.000 0.494 167 S N 0.371 116.080 115.700 0.015 0.000 2.475 167 S HA 0.663 5.133 4.470 -0.000 0.000 0.298 167 S C 0.604 175.216 174.600 0.021 0.000 1.119 167 S CA 0.695 58.906 58.200 0.018 0.000 1.085 167 S CB 0.690 63.902 63.200 0.021 0.000 1.028 167 S HN 1.666 nan 8.310 nan 0.000 0.489 168 T N 3.720 118.286 114.554 0.020 0.000 2.834 168 T HA 0.423 4.773 4.350 -0.000 0.000 0.298 168 T C -2.501 172.218 174.700 0.032 0.000 0.966 168 T CA -1.193 60.918 62.100 0.018 0.000 1.141 168 T CB -0.063 68.810 68.868 0.008 0.000 0.905 168 T HN 0.401 nan 8.240 nan 0.000 0.535 169 P HA 0.148 nan 4.420 nan 0.000 0.271 169 P C -0.552 176.791 177.300 0.071 0.000 1.218 169 P CA -0.703 62.431 63.100 0.057 0.000 0.780 169 P CB 0.174 31.899 31.700 0.042 0.000 0.901 170 Y N 1.789 122.090 120.300 0.001 0.000 2.810 170 Y HA 0.226 4.776 4.550 -0.000 0.000 0.332 170 Y C 1.642 177.542 175.900 0.000 0.000 1.243 170 Y CA 2.055 60.155 58.100 0.000 0.000 1.537 170 Y CB -0.194 38.266 38.460 0.001 0.000 1.265 170 Y HN 0.812 nan 8.280 nan 0.000 0.572 171 G N 2.185 110.589 108.800 -0.661 0.000 2.194 171 G HA2 0.134 4.094 3.960 -0.000 0.000 0.236 171 G HA3 0.134 4.094 3.960 -0.000 0.000 0.236 171 G C 0.607 175.373 174.900 -0.223 0.000 0.987 171 G CA 0.195 45.010 45.100 -0.475 0.000 0.635 171 G HN 2.165 nan 8.290 nan 0.000 0.520 172 G N -2.379 106.327 108.800 -0.156 0.000 2.498 172 G HA2 0.441 4.401 3.960 -0.000 0.000 0.651 172 G HA3 0.441 4.401 3.960 -0.000 0.000 0.651 172 G C -0.598 174.271 174.900 -0.052 0.000 1.284 172 G CA 0.513 45.556 45.100 -0.095 0.000 0.950 172 G HN 1.866 nan 8.290 nan 0.000 0.511 173 V N -0.276 119.614 119.914 -0.040 0.000 3.120 173 V HA 0.772 4.892 4.120 -0.000 0.000 0.303 173 V C -0.642 175.439 176.094 -0.023 0.000 1.238 173 V CA -0.630 61.656 62.300 -0.022 0.000 1.008 173 V CB 2.026 33.842 31.823 -0.011 0.000 1.064 173 V HN 1.058 nan 8.190 nan 0.000 0.434 174 K N 5.195 125.588 120.400 -0.012 0.000 2.253 174 K HA 0.546 4.866 4.320 -0.000 0.000 0.277 174 K C -0.870 175.734 176.600 0.006 0.000 1.053 174 K CA -0.577 55.704 56.287 -0.010 0.000 0.892 174 K CB 0.878 33.379 32.500 0.001 0.000 1.102 174 K HN 0.671 nan 8.250 nan 0.000 0.469 175 L N 4.289 125.510 121.223 -0.003 0.000 2.410 175 L HA 0.160 4.500 4.340 -0.000 0.000 0.273 175 L C 0.524 177.459 176.870 0.109 0.000 1.144 175 L CA 0.023 54.886 54.840 0.038 0.000 0.863 175 L CB 0.385 42.455 42.059 0.017 0.000 1.140 175 L HN 0.543 nan 8.230 nan 0.000 0.463 176 E N 1.967 122.244 120.200 0.128 0.000 2.343 176 E HA 0.063 4.412 4.350 -0.000 0.000 0.269 176 E C -0.645 176.092 176.600 0.227 0.000 1.047 176 E CA -0.568 55.919 56.400 0.146 0.000 0.874 176 E CB 1.288 31.034 29.700 0.076 0.000 1.033 176 E HN 0.411 nan 8.360 nan 0.000 0.409 177 D N 2.937 123.464 120.400 0.211 0.000 2.317 177 D HA 0.033 4.673 4.640 -0.000 0.000 0.252 177 D C 0.819 177.092 176.300 -0.044 0.000 1.174 177 D CA 0.008 54.037 54.000 0.049 0.000 0.866 177 D CB 1.004 41.860 40.800 0.093 0.000 1.127 177 D HN 0.432 nan 8.370 nan 0.000 0.467 178 L N 4.166 125.319 121.223 -0.117 0.000 2.275 178 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 178 L C 2.248 179.067 176.870 -0.085 0.000 1.119 178 L CA 0.422 55.213 54.840 -0.081 0.000 0.790 178 L CB -0.084 41.926 42.059 -0.082 0.000 0.919 178 L HN 0.564 nan 8.230 nan 0.000 0.443 179 I N -0.911 119.599 120.570 -0.101 0.000 2.163 179 I HA -0.284 3.885 4.170 -0.000 0.000 0.243 179 I C 2.403 178.470 176.117 -0.083 0.000 1.085 179 I CA 1.213 62.457 61.300 -0.093 0.000 1.347 179 I CB -0.282 37.660 38.000 -0.097 0.000 1.044 179 I HN 0.032 nan 8.210 nan 0.000 0.408 180 V N 0.904 120.789 119.914 -0.048 0.000 2.323 180 V HA -0.264 3.856 4.120 -0.000 0.000 0.244 180 V C 2.487 178.549 176.094 -0.053 0.000 1.041 180 V CA 2.012 64.297 62.300 -0.026 0.000 1.025 180 V CB -0.640 31.209 31.823 0.043 0.000 0.656 180 V HN 0.407 nan 8.190 nan 0.000 0.451 181 K N -0.219 120.158 120.400 -0.040 0.000 2.031 181 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 181 K C 1.660 178.217 176.600 -0.071 0.000 1.049 181 K CA 1.835 58.096 56.287 -0.044 0.000 0.939 181 K CB -0.074 32.413 32.500 -0.022 0.000 0.717 181 K HN 0.401 nan 8.250 nan 0.000 0.438 182 D N -0.961 119.394 120.400 -0.075 0.000 2.324 182 D HA 0.038 4.678 4.640 -0.000 0.000 0.212 182 D C 1.701 177.938 176.300 -0.105 0.000 0.984 182 D CA 0.982 54.932 54.000 -0.083 0.000 0.885 182 D CB 0.152 40.911 40.800 -0.069 0.000 0.996 182 D HN 0.414 nan 8.370 nan 0.000 0.505 183 G N 0.031 108.760 108.800 -0.117 0.000 2.441 183 G HA2 0.021 3.980 3.960 -0.000 0.000 0.212 183 G HA3 0.021 3.980 3.960 -0.000 0.000 0.212 183 G C 1.350 176.137 174.900 -0.188 0.000 1.164 183 G CA 0.116 45.129 45.100 -0.144 0.000 0.811 183 G HN 0.217 nan 8.290 nan 0.000 0.535 184 L N 0.476 121.569 121.223 -0.217 0.000 2.966 184 L HA 0.264 4.604 4.340 -0.000 0.000 0.262 184 L C -0.059 176.568 176.870 -0.406 0.000 1.165 184 L CA 0.056 54.678 54.840 -0.363 0.000 0.978 184 L CB 1.108 42.895 42.059 -0.454 0.000 1.337 184 L HN -0.051 nan 8.230 nan 0.000 0.563 185 T N -0.097 114.318 114.554 -0.232 0.000 2.758 185 T HA 0.169 4.519 4.350 -0.000 0.000 0.285 185 T C -0.521 174.100 174.700 -0.132 0.000 0.981 185 T CA -0.374 61.632 62.100 -0.157 0.000 0.965 185 T CB 1.917 70.729 68.868 -0.093 0.000 0.927 185 T HN -0.035 nan 8.240 nan 0.000 0.448 186 D N 2.367 122.717 120.400 -0.084 0.000 2.425 186 D HA 0.088 4.728 4.640 -0.000 0.000 0.247 186 D C 1.237 177.442 176.300 -0.158 0.000 1.147 186 D CA -0.068 53.895 54.000 -0.062 0.000 0.879 186 D CB 0.876 41.714 40.800 0.063 0.000 1.179 186 D HN 0.162 nan 8.370 nan 0.000 0.456 187 V N 3.953 123.636 119.914 -0.386 0.000 2.343 187 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 187 V C 1.259 177.048 176.094 -0.508 0.000 1.051 187 V CA 1.590 63.536 62.300 -0.590 0.000 1.036 187 V CB -0.833 30.415 31.823 -0.959 0.000 0.654 187 V HN 0.678 nan 8.190 nan 0.000 0.451 188 Y N -0.276 120.031 120.300 0.012 0.000 2.314 188 Y HA 0.093 4.642 4.550 -0.000 0.000 0.294 188 Y C 2.342 178.253 175.900 0.018 0.000 1.119 188 Y CA 0.706 58.815 58.100 0.014 0.000 1.179 188 Y CB -0.434 38.036 38.460 0.017 0.000 1.025 188 Y HN 0.233 nan 8.280 nan 0.000 0.541 189 N N 0.313 119.093 118.700 0.134 0.000 2.392 189 N HA -0.038 4.702 4.740 -0.000 0.000 0.177 189 N C -0.112 175.426 175.510 0.047 0.000 1.066 189 N CA 0.410 53.514 53.050 0.090 0.000 0.895 189 N CB 0.204 38.749 38.487 0.097 0.000 0.988 189 N HN 0.181 nan 8.380 nan 0.000 0.457 190 K N 0.905 121.313 120.400 0.013 0.000 3.150 190 K HA -0.168 4.152 4.320 -0.000 0.000 0.267 190 K C -0.268 176.350 176.600 0.030 0.000 1.028 190 K CA 0.626 56.915 56.287 0.003 0.000 0.753 190 K CB -2.188 30.317 32.500 0.008 0.000 1.288 190 K HN 0.487 nan 8.250 nan 0.000 0.473 191 I N -4.332 116.262 120.570 0.040 0.000 3.074 191 I HA 0.428 4.598 4.170 -0.000 0.000 0.310 191 I C 0.572 176.738 176.117 0.081 0.000 1.153 191 I CA -1.317 60.027 61.300 0.074 0.000 0.993 191 I CB 1.811 39.855 38.000 0.073 0.000 1.237 191 I HN -0.006 nan 8.210 nan 0.000 0.443 192 H N 3.613 122.694 119.070 0.018 0.000 2.757 192 H HA 0.194 4.749 4.556 -0.000 0.000 0.370 192 H C 0.730 176.013 175.328 -0.076 0.000 1.172 192 H CA 0.142 56.177 56.048 -0.021 0.000 1.426 192 H CB 1.325 31.092 29.762 0.008 0.000 1.438 192 H HN 0.697 nan 8.280 nan 0.000 0.612 193 M N 2.966 122.511 119.600 -0.091 0.000 2.144 193 M HA -0.135 4.345 4.480 -0.000 0.000 0.260 193 M C 2.325 178.664 176.300 0.066 0.000 1.067 193 M CA 1.554 56.951 55.300 0.161 0.000 1.095 193 M CB -1.524 31.164 32.600 0.147 0.000 1.365 193 M HN 0.788 nan 8.290 nan 0.000 0.406 194 G N -0.556 108.101 108.800 -0.237 0.000 2.432 194 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.219 194 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.219 194 G C 1.685 176.168 174.900 -0.695 0.000 1.135 194 G CA 1.182 45.529 45.100 -1.253 0.000 0.767 194 G HN 0.509 nan 8.290 nan 0.000 0.550 195 S N -0.371 115.134 115.700 -0.327 0.000 2.414 195 S HA -0.101 4.369 4.470 -0.000 0.000 0.227 195 S C 2.385 176.915 174.600 -0.117 0.000 1.022 195 S CA 0.863 58.997 58.200 -0.109 0.000 0.958 195 S CB -0.302 62.908 63.200 0.017 0.000 0.797 195 S HN 0.527 nan 8.310 nan 0.000 0.493 196 C N 2.121 121.365 119.300 -0.094 0.000 2.429 196 C HA -0.005 4.455 4.460 -0.000 0.000 0.277 196 C C 3.068 177.873 174.990 -0.308 0.000 1.262 196 C CA 0.534 59.486 59.018 -0.111 0.000 1.733 196 C CB -1.534 26.269 27.740 0.104 0.000 2.010 196 C HN 0.677 nan 8.230 nan 0.000 0.483 197 A N 0.683 123.244 122.820 -0.433 0.000 1.902 197 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 197 A C 2.113 179.507 177.584 -0.316 0.000 1.181 197 A CA 1.596 53.330 52.037 -0.506 0.000 0.623 197 A CB -0.473 18.016 19.000 -0.851 0.000 0.818 197 A HN 0.608 nan 8.150 nan 0.000 0.443 198 E N -0.045 120.008 120.200 -0.245 0.000 2.085 198 E HA -0.244 4.105 4.350 -0.000 0.000 0.194 198 E C 1.834 178.366 176.600 -0.113 0.000 0.994 198 E CA 1.522 57.842 56.400 -0.134 0.000 0.801 198 E CB -0.521 29.135 29.700 -0.072 0.000 0.743 198 E HN 0.728 nan 8.360 nan 0.000 0.453 199 N N 0.183 118.809 118.700 -0.122 0.000 2.104 199 N HA -0.132 4.608 4.740 -0.000 0.000 0.190 199 N C 1.692 177.136 175.510 -0.111 0.000 1.024 199 N CA 2.137 55.127 53.050 -0.100 0.000 0.853 199 N CB -0.094 38.336 38.487 -0.094 0.000 1.008 199 N HN -0.000 nan 8.380 nan 0.000 0.424 200 T N -0.396 114.063 114.554 -0.157 0.000 2.867 200 T HA 0.021 4.371 4.350 -0.000 0.000 0.268 200 T C 1.803 176.434 174.700 -0.115 0.000 1.057 200 T CA 1.004 63.016 62.100 -0.148 0.000 1.136 200 T CB -0.471 68.274 68.868 -0.205 0.000 0.874 200 T HN 0.418 nan 8.240 nan 0.000 0.466 201 A N 2.233 124.983 122.820 -0.115 0.000 1.883 201 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 201 A C 2.267 179.814 177.584 -0.062 0.000 1.186 201 A CA 1.433 53.419 52.037 -0.084 0.000 0.624 201 A CB -0.417 18.538 19.000 -0.076 0.000 0.822 201 A HN 0.381 nan 8.150 nan 0.000 0.444 202 K N -0.122 120.243 120.400 -0.058 0.000 1.987 202 K HA -0.214 4.106 4.320 -0.000 0.000 0.216 202 K C 2.113 178.687 176.600 -0.043 0.000 1.051 202 K CA 1.964 58.225 56.287 -0.044 0.000 0.942 202 K CB -0.372 32.104 32.500 -0.040 0.000 0.722 202 K HN 0.440 nan 8.250 nan 0.000 0.444 203 K N 0.634 121.005 120.400 -0.049 0.000 2.063 203 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 203 K C 1.907 178.482 176.600 -0.042 0.000 1.048 203 K CA 1.163 57.424 56.287 -0.043 0.000 0.928 203 K CB -0.065 32.407 32.500 -0.046 0.000 0.713 203 K HN 0.145 nan 8.250 nan 0.000 0.442 204 L N 0.239 121.431 121.223 -0.052 0.000 2.667 204 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 204 L C -0.038 176.805 176.870 -0.046 0.000 1.138 204 L CA -0.349 54.460 54.840 -0.051 0.000 0.921 204 L CB -0.306 41.714 42.059 -0.065 0.000 1.180 204 L HN 0.263 nan 8.230 nan 0.000 0.487 205 N N 1.768 120.444 118.700 -0.041 0.000 2.727 205 N HA -0.191 4.549 4.740 -0.000 0.000 0.251 205 N C -0.728 174.762 175.510 -0.034 0.000 1.040 205 N CA 0.307 53.337 53.050 -0.033 0.000 0.712 205 N CB -0.625 37.846 38.487 -0.027 0.000 0.912 205 N HN 0.129 nan 8.380 nan 0.000 0.545 206 I N 0.564 121.110 120.570 -0.039 0.000 2.337 206 I HA 0.509 4.679 4.170 -0.000 0.000 0.285 206 I C 1.197 177.299 176.117 -0.025 0.000 1.041 206 I CA -0.881 60.397 61.300 -0.037 0.000 1.199 206 I CB 0.151 38.120 38.000 -0.053 0.000 1.370 206 I HN 0.333 nan 8.210 nan 0.000 0.470 207 A N 5.787 128.599 122.820 -0.014 0.000 2.257 207 A HA 0.448 4.768 4.320 -0.000 0.000 0.289 207 A C 1.479 179.066 177.584 0.005 0.000 1.095 207 A CA -0.371 51.663 52.037 -0.006 0.000 0.836 207 A CB 0.582 19.579 19.000 -0.004 0.000 1.111 207 A HN 0.699 nan 8.150 nan 0.000 0.497 208 R N 0.942 121.447 120.500 0.008 0.000 2.096 208 R HA -0.215 4.125 4.340 -0.000 0.000 0.240 208 R C 1.738 178.050 176.300 0.021 0.000 1.139 208 R CA 2.879 58.990 56.100 0.017 0.000 0.952 208 R CB -0.681 29.627 30.300 0.014 0.000 0.854 208 R HN 0.907 nan 8.270 nan 0.000 0.436 209 N N 0.571 119.280 118.700 0.014 0.000 2.120 209 N HA -0.200 4.540 4.740 -0.000 0.000 0.188 209 N C 1.262 176.785 175.510 0.021 0.000 1.024 209 N CA 2.124 55.181 53.050 0.013 0.000 0.852 209 N CB -0.521 37.971 38.487 0.007 0.000 1.003 209 N HN 0.575 nan 8.380 nan 0.000 0.424 210 E N 0.552 120.766 120.200 0.024 0.000 2.072 210 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 210 E C 2.167 178.809 176.600 0.070 0.000 0.985 210 E CA 0.989 57.411 56.400 0.037 0.000 0.801 210 E CB -0.193 29.520 29.700 0.021 0.000 0.750 210 E HN 0.528 nan 8.360 nan 0.000 0.452 211 Q N 0.689 120.526 119.800 0.061 0.000 2.084 211 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 211 Q C 1.664 177.738 176.000 0.123 0.000 0.978 211 Q CA 1.286 57.145 55.803 0.095 0.000 0.844 211 Q CB -0.020 28.761 28.738 0.072 0.000 0.898 211 Q HN 0.237 nan 8.270 nan 0.000 0.426 212 D N 0.261 120.705 120.400 0.073 0.000 2.144 212 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 212 D C 1.751 178.056 176.300 0.009 0.000 0.978 212 D CA 1.216 55.241 54.000 0.041 0.000 0.833 212 D CB -0.161 40.644 40.800 0.008 0.000 0.961 212 D HN 0.247 nan 8.370 nan 0.000 0.470 213 A N 0.008 122.840 122.820 0.020 0.000 1.902 213 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 213 A C 2.198 179.788 177.584 0.010 0.000 1.181 213 A CA 1.253 53.288 52.037 -0.004 0.000 0.623 213 A CB -1.062 17.949 19.000 0.018 0.000 0.818 213 A HN 0.340 nan 8.150 nan 0.000 0.443 214 Y N 0.576 120.872 120.300 -0.007 0.000 2.145 214 Y HA -0.118 4.432 4.550 -0.000 0.000 0.286 214 Y C 2.693 178.607 175.900 0.023 0.000 1.145 214 Y CA 1.441 59.546 58.100 0.008 0.000 1.148 214 Y CB -0.499 37.970 38.460 0.014 0.000 0.981 214 Y HN 0.323 nan 8.280 nan 0.000 0.507 215 A N 0.441 123.343 122.820 0.137 0.000 1.865 215 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 215 A C 2.275 179.899 177.584 0.066 0.000 1.191 215 A CA 2.204 54.319 52.037 0.130 0.000 0.623 215 A CB -1.264 17.857 19.000 0.200 0.000 0.826 215 A HN 0.579 nan 8.150 nan 0.000 0.444 216 I N 0.042 120.549 120.570 -0.105 0.000 2.208 216 I HA -0.320 3.850 4.170 -0.000 0.000 0.245 216 I C 2.419 178.460 176.117 -0.128 0.000 1.097 216 I CA 1.833 62.915 61.300 -0.363 0.000 1.363 216 I CB -0.436 37.165 38.000 -0.665 0.000 1.051 216 I HN 0.586 nan 8.210 nan 0.000 0.413 217 N N 0.043 118.649 118.700 -0.157 0.000 2.104 217 N HA -0.250 4.490 4.740 -0.000 0.000 0.190 217 N C 1.920 177.338 175.510 -0.154 0.000 1.024 217 N CA 1.926 54.883 53.050 -0.155 0.000 0.853 217 N CB -0.154 38.173 38.487 -0.267 0.000 1.008 217 N HN 0.242 nan 8.380 nan 0.000 0.424 218 S N -1.308 114.237 115.700 -0.258 0.000 2.348 218 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 218 S C 1.745 176.326 174.600 -0.032 0.000 1.033 218 S CA 1.010 59.092 58.200 -0.197 0.000 1.010 218 S CB -0.693 62.363 63.200 -0.239 0.000 0.891 218 S HN 0.501 nan 8.310 nan 0.000 0.442 219 Y N 1.961 122.315 120.300 0.090 0.000 2.165 219 Y HA -0.124 4.426 4.550 -0.000 0.000 0.286 219 Y C 3.013 179.074 175.900 0.268 0.000 1.155 219 Y CA 1.891 60.138 58.100 0.245 0.000 1.164 219 Y CB -1.129 37.572 38.460 0.402 0.000 0.978 219 Y HN 0.280 nan 8.280 nan 0.000 0.513 220 T N -0.213 114.595 114.554 0.423 0.000 2.652 220 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 220 T C 1.950 176.751 174.700 0.167 0.000 1.039 220 T CA 1.696 63.979 62.100 0.306 0.000 1.153 220 T CB -0.257 68.771 68.868 0.266 0.000 0.863 220 T HN 0.276 nan 8.240 nan 0.000 0.428 221 R N 0.850 121.407 120.500 0.095 0.000 2.105 221 R HA -0.041 4.299 4.340 -0.000 0.000 0.239 221 R C 2.932 179.258 176.300 0.043 0.000 1.135 221 R CA 1.483 57.609 56.100 0.045 0.000 0.967 221 R CB -0.347 29.955 30.300 0.003 0.000 0.861 221 R HN 0.262 nan 8.270 nan 0.000 0.442 222 S N 0.841 116.567 115.700 0.044 0.000 2.356 222 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 222 S C 1.791 176.346 174.600 -0.075 0.000 1.032 222 S CA 1.272 59.471 58.200 -0.002 0.000 1.005 222 S CB -0.129 63.043 63.200 -0.046 0.000 0.867 222 S HN 0.299 nan 8.310 nan 0.000 0.449 223 K N 1.412 121.820 120.400 0.012 0.000 2.032 223 K HA -0.098 4.222 4.320 -0.000 0.000 0.209 223 K C 2.242 178.921 176.600 0.133 0.000 1.048 223 K CA 1.250 57.608 56.287 0.119 0.000 0.927 223 K CB -0.390 32.291 32.500 0.302 0.000 0.712 223 K HN 0.293 nan 8.250 nan 0.000 0.441 224 A N 0.897 123.776 122.820 0.099 0.000 1.908 224 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 224 A C 2.324 179.925 177.584 0.029 0.000 1.181 224 A CA 2.031 54.108 52.037 0.067 0.000 0.627 224 A CB -0.895 18.133 19.000 0.047 0.000 0.818 224 A HN 0.500 nan 8.150 nan 0.000 0.445 225 A N -1.690 121.124 122.820 -0.010 0.000 1.898 225 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 225 A C 1.998 179.492 177.584 -0.150 0.000 1.181 225 A CA 1.301 53.237 52.037 -0.169 0.000 0.620 225 A CB -0.859 17.975 19.000 -0.275 0.000 0.819 225 A HN 0.736 nan 8.150 nan 0.000 0.442 226 W N -0.021 121.328 121.300 0.081 0.000 2.358 226 W HA -0.089 4.570 4.660 -0.000 0.000 0.303 226 W C 2.360 178.928 176.519 0.082 0.000 1.208 226 W CA 1.413 58.844 57.345 0.143 0.000 1.274 226 W CB -0.128 29.347 29.460 0.025 0.000 1.138 226 W HN 0.416 nan 8.180 nan 0.000 0.515 227 E N -0.336 120.033 120.200 0.283 0.000 2.118 227 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 227 E C 2.112 178.774 176.600 0.103 0.000 0.992 227 E CA 1.352 57.862 56.400 0.183 0.000 0.804 227 E CB -0.355 29.429 29.700 0.141 0.000 0.741 227 E HN 0.208 nan 8.360 nan 0.000 0.458 228 A N -0.123 122.721 122.820 0.040 0.000 2.238 228 A HA 0.222 4.542 4.320 -0.000 0.000 0.208 228 A C 1.599 179.153 177.584 -0.050 0.000 1.177 228 A CA 0.782 52.809 52.037 -0.017 0.000 0.804 228 A CB -0.305 18.662 19.000 -0.056 0.000 0.823 228 A HN 0.334 nan 8.150 nan 0.000 0.482 229 G N -0.195 108.586 108.800 -0.033 0.000 2.176 229 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.252 229 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.252 229 G C 0.780 175.554 174.900 -0.210 0.000 1.024 229 G CA 0.556 45.624 45.100 -0.052 0.000 0.755 229 G HN 0.404 nan 8.290 nan 0.000 0.507 230 K N -0.836 119.312 120.400 -0.420 0.000 2.442 230 K HA 0.082 4.402 4.320 -0.000 0.000 0.198 230 K C 1.165 177.277 176.600 -0.813 0.000 1.042 230 K CA 0.834 56.740 56.287 -0.635 0.000 0.958 230 K CB -0.114 31.896 32.500 -0.816 0.000 0.766 230 K HN 0.550 nan 8.250 nan 0.000 0.474 231 F N -0.617 119.065 119.950 -0.448 0.000 2.654 231 F HA 0.230 4.757 4.527 -0.000 0.000 0.303 231 F C 1.947 177.555 175.800 -0.320 0.000 1.099 231 F CA -0.459 57.240 58.000 -0.503 0.000 1.270 231 F CB -0.182 38.211 39.000 -1.011 0.000 1.024 231 F HN -0.043 nan 8.300 nan 0.000 0.548 232 G N 0.855 109.589 108.800 -0.111 0.000 2.476 232 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.218 232 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.218 232 G C 1.498 176.365 174.900 -0.055 0.000 1.164 232 G CA 1.300 46.377 45.100 -0.040 0.000 0.768 232 G HN 0.283 nan 8.290 nan 0.000 0.560 233 N N -0.495 118.118 118.700 -0.145 0.000 2.422 233 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 233 N C 1.777 177.128 175.510 -0.264 0.000 1.080 233 N CA 0.731 53.681 53.050 -0.168 0.000 0.893 233 N CB 0.288 38.682 38.487 -0.155 0.000 0.973 233 N HN 0.628 nan 8.380 nan 0.000 0.456 234 E N -0.191 119.818 120.200 -0.318 0.000 2.127 234 E HA 0.066 4.415 4.350 -0.000 0.000 0.191 234 E C -0.395 176.198 176.600 -0.012 0.000 0.964 234 E CA 0.393 56.651 56.400 -0.237 0.000 0.832 234 E CB 0.498 30.100 29.700 -0.163 0.000 0.790 234 E HN -0.108 nan 8.360 nan 0.000 0.465 235 V N 3.463 123.395 119.914 0.031 0.000 2.439 235 V HA 0.268 4.388 4.120 -0.000 0.000 0.282 235 V C 0.223 176.377 176.094 0.100 0.000 1.039 235 V CA -0.568 61.791 62.300 0.100 0.000 0.913 235 V CB 1.148 33.100 31.823 0.214 0.000 0.983 235 V HN 0.215 nan 8.190 nan 0.000 0.460 236 I N 4.152 124.774 120.570 0.086 0.000 2.412 236 I HA 0.674 4.844 4.170 -0.000 0.000 0.296 236 I C -2.386 173.776 176.117 0.075 0.000 0.987 236 I CA -2.438 58.906 61.300 0.074 0.000 1.180 236 I CB 1.913 39.946 38.000 0.054 0.000 1.340 236 I HN 0.367 nan 8.210 nan 0.000 0.455 237 P HA 0.145 nan 4.420 nan 0.000 0.274 237 P C -0.686 176.636 177.300 0.036 0.000 1.237 237 P CA -0.212 62.920 63.100 0.053 0.000 0.793 237 P CB 1.817 33.545 31.700 0.048 0.000 0.977 238 V N -0.206 119.722 119.914 0.024 0.000 2.656 238 V HA 0.558 4.678 4.120 -0.000 0.000 0.307 238 V C -0.659 175.439 176.094 0.007 0.000 1.051 238 V CA -0.375 61.934 62.300 0.016 0.000 0.893 238 V CB 1.867 33.699 31.823 0.014 0.000 0.999 238 V HN 0.484 nan 8.190 nan 0.000 0.426 239 T N 5.617 120.175 114.554 0.006 0.000 2.744 239 T HA 0.540 4.890 4.350 -0.000 0.000 0.291 239 T C -0.204 174.495 174.700 -0.001 0.000 0.957 239 T CA -0.244 61.857 62.100 0.002 0.000 1.002 239 T CB 1.108 69.978 68.868 0.004 0.000 0.919 239 T HN 0.741 nan 8.240 nan 0.000 0.468 240 V N 4.645 124.555 119.914 -0.006 0.000 2.364 240 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 240 V C 0.480 176.568 176.094 -0.009 0.000 1.036 240 V CA -0.597 61.698 62.300 -0.009 0.000 0.880 240 V CB 0.981 32.796 31.823 -0.014 0.000 0.991 240 V HN 0.935 nan 8.190 nan 0.000 0.460 241 T N 4.962 119.512 114.554 -0.007 0.000 2.756 241 T HA 0.526 4.876 4.350 -0.000 0.000 0.290 241 T C -0.281 174.414 174.700 -0.008 0.000 0.985 241 T CA -0.341 61.755 62.100 -0.007 0.000 0.955 241 T CB 1.368 70.233 68.868 -0.004 0.000 0.930 241 T HN 0.336 nan 8.240 nan 0.000 0.451 242 V N 4.606 124.514 119.914 -0.009 0.000 2.350 242 V HA 0.318 4.438 4.120 -0.000 0.000 0.285 242 V C 0.352 176.441 176.094 -0.008 0.000 1.014 242 V CA -1.128 61.166 62.300 -0.010 0.000 0.831 242 V CB 1.393 33.209 31.823 -0.013 0.000 1.000 242 V HN 0.765 nan 8.190 nan 0.000 0.433 243 K N 3.364 123.760 120.400 -0.007 0.000 2.466 243 K HA 0.316 4.636 4.320 -0.000 0.000 0.278 243 K C 1.137 177.733 176.600 -0.007 0.000 1.048 243 K CA 1.185 57.468 56.287 -0.006 0.000 1.088 243 K CB 0.193 32.690 32.500 -0.005 0.000 0.884 243 K HN 1.170 nan 8.250 nan 0.000 0.478 244 G N 2.405 111.202 108.800 -0.006 0.000 2.171 244 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.238 244 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.238 244 G C -0.328 174.568 174.900 -0.008 0.000 1.039 244 G CA -0.321 44.775 45.100 -0.006 0.000 0.759 244 G HN 0.554 nan 8.290 nan 0.000 0.501 245 Q N -0.925 118.871 119.800 -0.008 0.000 2.578 245 Q HA 0.372 4.711 4.340 -0.000 0.000 0.284 245 Q C -2.656 173.339 176.000 -0.009 0.000 0.960 245 Q CA -1.416 54.382 55.803 -0.009 0.000 0.809 245 Q CB 2.738 31.470 28.738 -0.011 0.000 1.462 245 Q HN 0.212 nan 8.270 nan 0.000 0.392 246 P HA 0.102 nan 4.420 nan 0.000 0.272 246 P C -0.885 176.410 177.300 -0.009 0.000 1.223 246 P CA -0.108 62.987 63.100 -0.008 0.000 0.784 246 P CB 0.519 32.214 31.700 -0.009 0.000 0.923 247 D N 0.244 120.640 120.400 -0.008 0.000 2.399 247 D HA 0.195 4.835 4.640 -0.000 0.000 0.241 247 D C -0.212 176.082 176.300 -0.010 0.000 1.133 247 D CA 0.164 54.160 54.000 -0.008 0.000 0.890 247 D CB 0.483 41.280 40.800 -0.005 0.000 1.201 247 D HN -0.020 nan 8.370 nan 0.000 0.432 248 V N 2.057 121.964 119.914 -0.012 0.000 2.409 248 V HA 0.235 4.355 4.120 -0.000 0.000 0.291 248 V C -0.018 176.068 176.094 -0.013 0.000 1.020 248 V CA -0.871 61.420 62.300 -0.015 0.000 0.848 248 V CB 1.897 33.708 31.823 -0.020 0.000 0.990 248 V HN 0.227 nan 8.190 nan 0.000 0.430 249 V N 5.981 125.887 119.914 -0.012 0.000 2.348 249 V HA 0.289 4.409 4.120 -0.000 0.000 0.270 249 V C 0.062 176.146 176.094 -0.017 0.000 1.037 249 V CA -0.450 61.845 62.300 -0.008 0.000 0.872 249 V CB 1.592 33.414 31.823 -0.001 0.000 1.002 249 V HN 0.640 nan 8.190 nan 0.000 0.464 250 V N 6.725 126.629 119.914 -0.016 0.000 2.368 250 V HA 0.291 4.411 4.120 -0.000 0.000 0.266 250 V C 0.901 176.984 176.094 -0.018 0.000 1.045 250 V CA -0.387 61.895 62.300 -0.030 0.000 0.899 250 V CB 0.765 32.571 31.823 -0.029 0.000 1.006 250 V HN 1.038 nan 8.190 nan 0.000 0.470 251 K N 3.361 123.739 120.400 -0.036 0.000 2.402 251 K HA 0.362 4.682 4.320 -0.000 0.000 0.204 251 K C 0.253 176.823 176.600 -0.051 0.000 1.056 251 K CA -0.304 55.984 56.287 0.003 0.000 1.069 251 K CB 0.900 33.418 32.500 0.031 0.000 0.888 251 K HN 0.765 nan 8.250 nan 0.000 0.546 252 E N 0.482 120.535 120.200 -0.244 0.000 2.433 252 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 252 E C -1.514 174.797 176.600 -0.482 0.000 0.976 252 E CA -1.072 54.900 56.400 -0.713 0.000 0.793 252 E CB 0.871 29.815 29.700 -1.260 0.000 1.311 252 E HN -0.124 nan 8.360 nan 0.000 0.460 253 D N 1.276 121.370 120.400 -0.509 0.000 2.488 253 D HA -0.049 4.591 4.640 -0.000 0.000 0.238 253 D C 0.364 176.586 176.300 -0.131 0.000 1.138 253 D CA 0.473 54.398 54.000 -0.125 0.000 0.873 253 D CB 1.316 42.176 40.800 0.101 0.000 1.183 253 D HN 0.648 nan 8.370 nan 0.000 0.458 254 E N 1.407 121.560 120.200 -0.078 0.000 2.190 254 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 254 E C 1.211 177.752 176.600 -0.099 0.000 0.978 254 E CA 0.255 56.584 56.400 -0.118 0.000 0.839 254 E CB 0.305 29.963 29.700 -0.070 0.000 0.787 254 E HN 0.287 nan 8.360 nan 0.000 0.473 255 E N 0.081 120.291 120.200 0.016 0.000 2.106 255 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 255 E C 1.837 178.527 176.600 0.150 0.000 0.984 255 E CA 1.530 57.978 56.400 0.080 0.000 0.806 255 E CB -0.436 29.327 29.700 0.106 0.000 0.750 255 E HN 0.553 nan 8.360 nan 0.000 0.458 256 Y N -0.318 120.038 120.300 0.092 0.000 2.497 256 Y HA 0.092 4.641 4.550 -0.000 0.000 0.292 256 Y C 1.362 177.423 175.900 0.268 0.000 1.137 256 Y CA 0.862 59.092 58.100 0.217 0.000 1.285 256 Y CB -0.155 38.389 38.460 0.140 0.000 0.991 256 Y HN -0.121 nan 8.280 nan 0.000 0.556 257 K N 0.823 120.955 120.400 -0.446 0.000 2.426 257 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 257 K C 0.194 176.714 176.600 -0.133 0.000 1.028 257 K CA 0.111 56.182 56.287 -0.359 0.000 1.047 257 K CB 0.089 32.280 32.500 -0.516 0.000 0.821 257 K HN 0.290 nan 8.250 nan 0.000 0.513 258 R N 1.610 122.095 120.500 -0.025 0.000 3.235 258 R HA 0.209 4.549 4.340 -0.000 0.000 0.232 258 R C -0.840 175.459 176.300 -0.001 0.000 1.475 258 R CA -0.130 55.971 56.100 0.003 0.000 1.405 258 R CB 0.581 30.906 30.300 0.042 0.000 1.266 258 R HN -0.115 nan 8.270 nan 0.000 0.650 259 V N 0.874 120.732 119.914 -0.093 0.000 3.178 259 V HA 0.365 4.485 4.120 -0.000 0.000 0.302 259 V C -1.788 174.241 176.094 -0.108 0.000 1.262 259 V CA -0.762 61.414 62.300 -0.206 0.000 1.030 259 V CB 2.812 34.321 31.823 -0.523 0.000 1.074 259 V HN 0.462 nan 8.190 nan 0.000 0.438 260 D N 3.655 124.030 120.400 -0.043 0.000 2.386 260 D HA 0.302 4.941 4.640 -0.000 0.000 0.247 260 D C 0.338 176.724 176.300 0.143 0.000 1.336 260 D CA -0.350 53.660 54.000 0.016 0.000 0.976 260 D CB 1.054 41.851 40.800 -0.004 0.000 1.257 260 D HN 0.281 nan 8.370 nan 0.000 0.570 261 F N 1.709 121.596 119.950 -0.105 0.000 2.161 261 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 261 F C 2.695 178.468 175.800 -0.045 0.000 1.089 261 F CA 1.468 59.422 58.000 -0.076 0.000 1.282 261 F CB -0.925 38.047 39.000 -0.048 0.000 1.010 261 F HN 0.446 nan 8.300 nan 0.000 0.485 262 S N -0.533 115.258 115.700 0.152 0.000 2.402 262 S HA -0.218 4.252 4.470 -0.000 0.000 0.229 262 S C 2.045 176.669 174.600 0.041 0.000 1.021 262 S CA 1.232 59.477 58.200 0.074 0.000 0.974 262 S CB -0.531 62.699 63.200 0.049 0.000 0.800 262 S HN 0.443 nan 8.310 nan 0.000 0.484 263 K N 0.695 121.116 120.400 0.036 0.000 2.228 263 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 263 K C 1.832 178.436 176.600 0.007 0.000 1.051 263 K CA 0.716 57.012 56.287 0.016 0.000 0.960 263 K CB -0.247 32.258 32.500 0.009 0.000 0.743 263 K HN 0.274 nan 8.250 nan 0.000 0.458 264 V N 2.514 122.429 119.914 0.002 0.000 2.231 264 V HA -0.230 3.889 4.120 -0.000 0.000 0.250 264 V C -1.058 175.032 176.094 -0.007 0.000 1.058 264 V CA 2.249 64.539 62.300 -0.016 0.000 1.022 264 V CB -1.123 30.660 31.823 -0.067 0.000 0.640 264 V HN 0.411 nan 8.190 nan 0.000 0.445 265 P HA -0.049 nan 4.420 nan 0.000 0.242 265 P C 0.983 178.284 177.300 0.001 0.000 1.197 265 P CA 1.074 64.172 63.100 -0.003 0.000 0.765 265 P CB -0.029 31.669 31.700 -0.004 0.000 0.936 266 K N -0.773 119.628 120.400 0.001 0.000 2.352 266 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 266 K C 1.048 177.647 176.600 -0.002 0.000 1.038 266 K CA -0.115 56.172 56.287 0.001 0.000 1.023 266 K CB 0.085 32.586 32.500 0.002 0.000 0.840 266 K HN 0.190 nan 8.250 nan 0.000 0.519 267 L N 2.381 123.603 121.223 -0.001 0.000 2.483 267 L HA -0.009 4.330 4.340 -0.000 0.000 0.275 267 L C 0.513 177.377 176.870 -0.010 0.000 1.220 267 L CA 0.184 55.021 54.840 -0.005 0.000 0.833 267 L CB 0.123 42.181 42.059 -0.001 0.000 1.102 267 L HN -0.020 nan 8.230 nan 0.000 0.490 268 K N 0.891 121.278 120.400 -0.021 0.000 2.098 268 K HA 0.275 4.594 4.320 -0.000 0.000 0.261 268 K C -0.082 176.492 176.600 -0.043 0.000 0.987 268 K CA -0.485 55.785 56.287 -0.028 0.000 0.916 268 K CB 1.252 33.733 32.500 -0.033 0.000 1.039 268 K HN 0.642 nan 8.250 nan 0.000 0.455 269 T N -1.640 112.892 114.554 -0.037 0.000 2.752 269 T HA 0.141 4.491 4.350 -0.000 0.000 0.295 269 T C 1.389 176.025 174.700 -0.106 0.000 0.923 269 T CA -0.792 61.284 62.100 -0.041 0.000 1.112 269 T CB 0.180 69.045 68.868 -0.004 0.000 0.884 269 T HN 0.319 nan 8.240 nan 0.000 0.525 270 V N 0.118 119.893 119.914 -0.232 0.000 2.951 270 V HA 0.161 4.281 4.120 -0.000 0.000 0.255 270 V C 1.435 177.194 176.094 -0.557 0.000 1.088 270 V CA 0.620 62.646 62.300 -0.457 0.000 1.109 270 V CB -1.224 30.189 31.823 -0.685 0.000 0.724 270 V HN 0.788 nan 8.190 nan 0.000 0.471 271 F N 0.453 120.365 119.950 -0.062 0.000 2.717 271 F HA 0.442 4.969 4.527 -0.000 0.000 0.297 271 F C 1.243 177.017 175.800 -0.043 0.000 1.113 271 F CA -0.032 57.923 58.000 -0.075 0.000 1.319 271 F CB 0.368 39.306 39.000 -0.104 0.000 1.097 271 F HN 0.211 nan 8.300 nan 0.000 0.595 272 Q N 0.545 120.405 119.800 0.100 0.000 2.374 272 Q HA 0.203 4.543 4.340 -0.000 0.000 0.250 272 Q C -0.013 175.999 176.000 0.020 0.000 0.918 272 Q CA -0.212 55.624 55.803 0.056 0.000 0.778 272 Q CB 1.449 30.220 28.738 0.055 0.000 1.328 272 Q HN 0.162 nan 8.270 nan 0.000 0.445 273 K N 1.077 121.482 120.400 0.008 0.000 2.097 273 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 273 K C 0.269 176.869 176.600 0.001 0.000 1.050 273 K CA 0.693 56.978 56.287 -0.003 0.000 0.938 273 K CB 0.336 32.833 32.500 -0.005 0.000 0.718 273 K HN 0.415 nan 8.250 nan 0.000 0.442 274 E N 1.999 122.202 120.200 0.006 0.000 1.932 274 E HA 0.024 4.373 4.350 -0.000 0.000 0.275 274 E C -0.920 175.682 176.600 0.003 0.000 1.159 274 E CA 0.047 56.450 56.400 0.004 0.000 0.905 274 E CB -0.187 29.517 29.700 0.006 0.000 1.059 274 E HN 0.227 nan 8.360 nan 0.000 0.400 275 N N 1.541 120.242 118.700 0.001 0.000 2.738 275 N HA -0.185 4.555 4.740 -0.000 0.000 0.249 275 N C 0.173 175.684 175.510 0.001 0.000 1.047 275 N CA 0.401 53.451 53.050 0.000 0.000 0.707 275 N CB -0.402 38.083 38.487 -0.002 0.000 0.937 275 N HN 0.528 nan 8.380 nan 0.000 0.545 276 G N -1.059 107.744 108.800 0.005 0.000 2.562 276 G HA2 0.454 4.414 3.960 -0.000 0.000 0.275 276 G HA3 0.454 4.414 3.960 -0.000 0.000 0.275 276 G C 0.962 175.869 174.900 0.012 0.000 1.196 276 G CA 0.375 45.482 45.100 0.012 0.000 0.908 276 G HN 0.299 nan 8.290 nan 0.000 0.524 277 T N -3.946 110.620 114.554 0.020 0.000 2.992 277 T HA 0.189 4.539 4.350 -0.000 0.000 0.255 277 T C 0.362 175.093 174.700 0.051 0.000 0.938 277 T CA 0.020 62.134 62.100 0.023 0.000 0.895 277 T CB 0.144 69.016 68.868 0.007 0.000 1.221 277 T HN 0.292 nan 8.240 nan 0.000 0.512 278 V N 3.905 123.867 119.914 0.079 0.000 2.432 278 V HA 0.662 4.782 4.120 -0.000 0.000 0.275 278 V C 0.585 176.769 176.094 0.150 0.000 1.043 278 V CA -0.204 62.189 62.300 0.155 0.000 0.925 278 V CB 0.952 32.897 31.823 0.204 0.000 0.985 278 V HN 0.760 nan 8.190 nan 0.000 0.466 279 T N 1.600 116.244 114.554 0.149 0.000 2.888 279 T HA 0.685 5.035 4.350 -0.000 0.000 0.288 279 T C 1.108 175.874 174.700 0.111 0.000 1.063 279 T CA -0.030 62.113 62.100 0.071 0.000 1.010 279 T CB 1.976 70.875 68.868 0.052 0.000 1.214 279 T HN 0.626 nan 8.240 nan 0.000 0.533 280 A N 0.440 123.283 122.820 0.040 0.000 1.978 280 A HA 0.210 4.530 4.320 -0.000 0.000 0.220 280 A C 2.517 180.182 177.584 0.135 0.000 1.170 280 A CA 2.081 54.161 52.037 0.072 0.000 0.636 280 A CB -1.528 17.485 19.000 0.021 0.000 0.810 280 A HN 1.284 nan 8.150 nan 0.000 0.448 281 A N 1.192 124.087 122.820 0.126 0.000 1.898 281 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 281 A C 1.710 179.439 177.584 0.243 0.000 1.181 281 A CA 1.825 53.965 52.037 0.172 0.000 0.620 281 A CB -0.613 18.442 19.000 0.093 0.000 0.819 281 A HN 0.764 nan 8.150 nan 0.000 0.442 282 N N -0.381 118.444 118.700 0.209 0.000 2.336 282 N HA 0.363 5.103 4.740 -0.000 0.000 0.189 282 N C 0.269 175.945 175.510 0.277 0.000 1.113 282 N CA 0.643 53.833 53.050 0.233 0.000 0.858 282 N CB -0.153 38.449 38.487 0.192 0.000 0.970 282 N HN 0.396 nan 8.380 nan 0.000 0.471 283 A N 0.298 123.298 122.820 0.300 0.000 2.282 283 A HA 0.647 4.967 4.320 -0.000 0.000 0.319 283 A C 0.473 178.122 177.584 0.108 0.000 1.121 283 A CA -0.472 51.752 52.037 0.311 0.000 0.836 283 A CB 0.411 19.733 19.000 0.536 0.000 1.146 283 A HN 0.418 nan 8.150 nan 0.000 0.494 284 S N 0.331 115.978 115.700 -0.088 0.000 2.580 284 S HA 0.448 4.918 4.470 -0.000 0.000 0.266 284 S C 0.509 175.125 174.600 0.027 0.000 1.354 284 S CA 0.321 58.487 58.200 -0.056 0.000 1.008 284 S CB 0.186 63.312 63.200 -0.125 0.000 0.898 284 S HN 1.333 nan 8.310 nan 0.000 0.555 285 T N -0.930 113.657 114.554 0.055 0.000 2.922 285 T HA 0.644 4.994 4.350 -0.000 0.000 0.281 285 T C -0.517 174.197 174.700 0.024 0.000 1.005 285 T CA -1.083 61.050 62.100 0.056 0.000 0.982 285 T CB 0.275 69.192 68.868 0.082 0.000 1.158 285 T HN 0.347 nan 8.240 nan 0.000 0.566 286 L N 2.267 123.469 121.223 -0.034 0.000 2.292 286 L HA 0.602 4.942 4.340 -0.000 0.000 0.284 286 L C -0.127 176.782 176.870 0.066 0.000 1.065 286 L CA -0.134 54.654 54.840 -0.086 0.000 0.806 286 L CB 0.264 42.080 42.059 -0.406 0.000 1.175 286 L HN 0.795 nan 8.230 nan 0.000 0.431 287 N N 0.834 119.582 118.700 0.080 0.000 2.825 287 N HA 0.556 5.296 4.740 -0.000 0.000 0.253 287 N C -1.794 173.766 175.510 0.085 0.000 1.426 287 N CA -0.851 52.264 53.050 0.108 0.000 0.851 287 N CB 1.665 40.201 38.487 0.081 0.000 1.470 287 N HN 0.373 nan 8.380 nan 0.000 0.517 288 D N -0.324 120.118 120.400 0.070 0.000 2.362 288 D HA 0.740 5.380 4.640 -0.000 0.000 0.247 288 D C -0.228 176.093 176.300 0.035 0.000 1.050 288 D CA -0.243 53.784 54.000 0.044 0.000 0.839 288 D CB 1.809 42.629 40.800 0.034 0.000 1.283 288 D HN 0.658 nan 8.370 nan 0.000 0.477 289 G N -0.589 108.228 108.800 0.028 0.000 2.338 289 G HA2 0.632 4.592 3.960 -0.000 0.000 0.295 289 G HA3 0.632 4.592 3.960 -0.000 0.000 0.295 289 G C -1.975 172.941 174.900 0.028 0.000 1.461 289 G CA -0.394 44.724 45.100 0.030 0.000 0.817 289 G HN 0.595 nan 8.290 nan 0.000 0.556 290 A N -1.034 121.806 122.820 0.032 0.000 2.549 290 A HA 1.086 5.406 4.320 -0.000 0.000 0.297 290 A C -0.329 177.279 177.584 0.040 0.000 1.061 290 A CA 0.194 52.250 52.037 0.032 0.000 0.690 290 A CB 1.600 20.617 19.000 0.027 0.000 1.287 290 A HN 2.532 nan 8.150 nan 0.000 0.402 291 A N 0.164 123.009 122.820 0.042 0.000 2.475 291 A HA 0.995 5.315 4.320 -0.000 0.000 0.301 291 A C -0.385 177.226 177.584 0.045 0.000 1.059 291 A CA -0.007 52.060 52.037 0.050 0.000 0.710 291 A CB 1.543 20.578 19.000 0.059 0.000 1.288 291 A HN 2.584 nan 8.150 nan 0.000 0.408 292 A N 0.901 123.750 122.820 0.048 0.000 2.486 292 A HA 0.774 5.094 4.320 -0.000 0.000 0.300 292 A C -1.754 175.852 177.584 0.037 0.000 1.048 292 A CA -0.369 51.690 52.037 0.037 0.000 0.696 292 A CB 1.090 20.108 19.000 0.031 0.000 1.278 292 A HN 0.885 nan 8.150 nan 0.000 0.405 293 L N 1.386 122.621 121.223 0.020 0.000 2.365 293 L HA 0.542 4.882 4.340 -0.000 0.000 0.273 293 L C -0.298 176.568 176.870 -0.006 0.000 1.000 293 L CA -0.512 54.334 54.840 0.009 0.000 0.819 293 L CB 2.023 44.081 42.059 -0.001 0.000 1.284 293 L HN 0.443 nan 8.230 nan 0.000 0.418 294 V N 4.731 124.640 119.914 -0.008 0.000 2.432 294 V HA 0.376 4.496 4.120 -0.000 0.000 0.271 294 V C 0.037 176.114 176.094 -0.028 0.000 1.046 294 V CA -0.296 61.993 62.300 -0.018 0.000 0.945 294 V CB 0.876 32.692 31.823 -0.012 0.000 0.992 294 V HN 0.470 nan 8.190 nan 0.000 0.471 295 L N 7.059 128.260 121.223 -0.037 0.000 2.346 295 L HA 0.816 5.156 4.340 -0.000 0.000 0.274 295 L C -0.164 176.684 176.870 -0.036 0.000 1.007 295 L CA -0.496 54.322 54.840 -0.038 0.000 0.818 295 L CB 1.715 43.746 42.059 -0.046 0.000 1.284 295 L HN 0.709 nan 8.230 nan 0.000 0.424 296 M N -0.127 119.457 119.600 -0.028 0.000 2.683 296 M HA 0.564 5.044 4.480 -0.000 0.000 0.274 296 M C -0.461 175.829 176.300 -0.016 0.000 1.272 296 M CA -0.778 54.508 55.300 -0.024 0.000 0.833 296 M CB 2.140 34.727 32.600 -0.022 0.000 1.708 296 M HN 0.495 nan 8.290 nan 0.000 0.463 297 T N -0.693 113.853 114.554 -0.014 0.000 2.860 297 T HA 0.513 4.863 4.350 -0.000 0.000 0.299 297 T C 1.178 175.872 174.700 -0.011 0.000 1.045 297 T CA -0.078 62.017 62.100 -0.009 0.000 1.071 297 T CB 1.069 69.932 68.868 -0.008 0.000 0.985 297 T HN 0.829 nan 8.240 nan 0.000 0.537 298 A N 1.344 124.158 122.820 -0.010 0.000 1.940 298 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 298 A C 1.987 179.564 177.584 -0.011 0.000 1.176 298 A CA 1.676 53.706 52.037 -0.012 0.000 0.631 298 A CB -0.910 18.083 19.000 -0.012 0.000 0.814 298 A HN 0.900 nan 8.150 nan 0.000 0.446 299 D N 0.272 120.666 120.400 -0.009 0.000 2.097 299 D HA -0.068 4.572 4.640 -0.000 0.000 0.195 299 D C 2.236 178.531 176.300 -0.008 0.000 0.989 299 D CA 1.603 55.598 54.000 -0.008 0.000 0.827 299 D CB -0.591 40.206 40.800 -0.006 0.000 0.966 299 D HN 0.431 nan 8.370 nan 0.000 0.456 300 A N 1.101 123.915 122.820 -0.008 0.000 1.940 300 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 300 A C 2.320 179.897 177.584 -0.010 0.000 1.176 300 A CA 2.323 54.355 52.037 -0.009 0.000 0.631 300 A CB -0.750 18.243 19.000 -0.010 0.000 0.814 300 A HN 0.243 nan 8.150 nan 0.000 0.446 301 A N -0.120 122.693 122.820 -0.012 0.000 1.902 301 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 301 A C 2.112 179.689 177.584 -0.012 0.000 1.181 301 A CA 1.881 53.910 52.037 -0.014 0.000 0.623 301 A CB -0.435 18.555 19.000 -0.017 0.000 0.818 301 A HN 0.565 nan 8.150 nan 0.000 0.443 302 K N -0.818 119.575 120.400 -0.011 0.000 2.026 302 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 302 K C 2.380 178.976 176.600 -0.008 0.000 1.048 302 K CA 1.478 57.759 56.287 -0.010 0.000 0.929 302 K CB -0.214 32.281 32.500 -0.010 0.000 0.713 302 K HN 0.475 nan 8.250 nan 0.000 0.439 303 R N 1.219 121.715 120.500 -0.007 0.000 2.083 303 R HA -0.122 4.217 4.340 -0.000 0.000 0.237 303 R C 1.795 178.092 176.300 -0.006 0.000 1.137 303 R CA 1.407 57.503 56.100 -0.006 0.000 0.951 303 R CB -0.191 30.106 30.300 -0.005 0.000 0.851 303 R HN 0.139 nan 8.270 nan 0.000 0.434 304 L N 1.037 122.256 121.223 -0.007 0.000 2.591 304 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 304 L C 0.093 176.959 176.870 -0.006 0.000 1.133 304 L CA 0.072 54.908 54.840 -0.006 0.000 0.880 304 L CB -0.174 41.880 42.059 -0.007 0.000 1.033 304 L HN 0.328 nan 8.230 nan 0.000 0.450 305 N N 0.892 119.587 118.700 -0.007 0.000 2.725 305 N HA -0.145 4.595 4.740 -0.000 0.000 0.251 305 N C -0.379 175.126 175.510 -0.008 0.000 1.031 305 N CA 0.887 53.932 53.050 -0.008 0.000 0.720 305 N CB -0.901 37.582 38.487 -0.006 0.000 0.930 305 N HN 0.269 nan 8.380 nan 0.000 0.543 306 V N -2.141 117.767 119.914 -0.010 0.000 2.667 306 V HA 0.744 4.864 4.120 -0.000 0.000 0.308 306 V C 0.754 176.839 176.094 -0.015 0.000 1.048 306 V CA -0.577 61.716 62.300 -0.011 0.000 0.928 306 V CB 2.020 33.836 31.823 -0.011 0.000 1.004 306 V HN 0.229 nan 8.190 nan 0.000 0.444 307 T N 2.257 116.801 114.554 -0.017 0.000 2.733 307 T HA 0.600 4.950 4.350 -0.000 0.000 0.294 307 T C -2.071 172.611 174.700 -0.029 0.000 0.956 307 T CA -1.449 60.638 62.100 -0.022 0.000 0.987 307 T CB 0.840 69.695 68.868 -0.022 0.000 0.920 307 T HN 0.832 nan 8.240 nan 0.000 0.470 308 P HA 0.210 nan 4.420 nan 0.000 0.272 308 P C 0.230 177.496 177.300 -0.057 0.000 1.223 308 P CA -0.673 62.402 63.100 -0.043 0.000 0.784 308 P CB 0.927 32.603 31.700 -0.040 0.000 0.923 309 L N 0.804 121.983 121.223 -0.075 0.000 2.221 309 L HA 0.330 4.670 4.340 -0.000 0.000 0.202 309 L C 1.194 178.002 176.870 -0.104 0.000 1.074 309 L CA 1.192 55.971 54.840 -0.102 0.000 0.795 309 L CB -1.224 40.743 42.059 -0.153 0.000 0.960 309 L HN 0.589 nan 8.230 nan 0.000 0.458 310 A N -1.153 121.612 122.820 -0.092 0.000 2.610 310 A HA 0.645 4.964 4.320 -0.000 0.000 0.291 310 A C -0.783 176.766 177.584 -0.058 0.000 1.086 310 A CA -0.642 51.344 52.037 -0.086 0.000 0.677 310 A CB 1.184 20.127 19.000 -0.095 0.000 1.278 310 A HN 0.020 nan 8.150 nan 0.000 0.414 311 R N 1.226 121.696 120.500 -0.051 0.000 2.393 311 R HA 0.648 4.987 4.340 -0.000 0.000 0.310 311 R C -1.249 175.057 176.300 0.010 0.000 0.968 311 R CA -0.562 55.526 56.100 -0.021 0.000 0.867 311 R CB 0.603 30.888 30.300 -0.026 0.000 1.124 311 R HN 0.650 nan 8.270 nan 0.000 0.450 312 I N 5.768 126.362 120.570 0.040 0.000 2.379 312 I HA 0.015 4.185 4.170 -0.000 0.000 0.290 312 I C 0.903 177.084 176.117 0.106 0.000 1.063 312 I CA -0.287 61.071 61.300 0.096 0.000 1.351 312 I CB 1.527 39.609 38.000 0.136 0.000 1.410 312 I HN 0.587 nan 8.210 nan 0.000 0.505 313 V N 6.074 126.047 119.914 0.100 0.000 2.436 313 V HA 0.287 4.406 4.120 -0.000 0.000 0.240 313 V C 0.780 176.868 176.094 -0.010 0.000 1.040 313 V CA 1.022 63.357 62.300 0.059 0.000 1.052 313 V CB 0.001 31.883 31.823 0.098 0.000 0.707 313 V HN 0.856 nan 8.190 nan 0.000 0.469 314 A N -0.067 122.753 122.820 0.001 0.000 2.601 314 A HA 0.793 5.113 4.320 -0.000 0.000 0.291 314 A C -1.597 175.983 177.584 -0.007 0.000 1.075 314 A CA -0.468 51.462 52.037 -0.177 0.000 0.671 314 A CB 1.439 20.353 19.000 -0.143 0.000 1.277 314 A HN 0.469 nan 8.150 nan 0.000 0.417 315 F N -2.307 117.649 119.950 0.011 0.000 2.713 315 F HA 0.939 5.466 4.527 -0.000 0.000 0.311 315 F C -0.335 175.479 175.800 0.023 0.000 1.141 315 F CA -0.607 57.404 58.000 0.019 0.000 0.939 315 F CB 1.259 40.273 39.000 0.024 0.000 1.325 315 F HN 1.575 nan 8.300 nan 0.000 0.453 316 A N 0.499 123.479 122.820 0.267 0.000 2.608 316 A HA 0.662 4.981 4.320 -0.000 0.000 0.292 316 A C -2.254 175.426 177.584 0.160 0.000 1.066 316 A CA -0.788 51.349 52.037 0.167 0.000 0.676 316 A CB 1.706 20.760 19.000 0.090 0.000 1.277 316 A HN 0.762 nan 8.150 nan 0.000 0.413 317 D N 0.281 120.758 120.400 0.127 0.000 2.350 317 D HA 0.694 5.334 4.640 -0.000 0.000 0.245 317 D C -0.281 176.074 176.300 0.092 0.000 1.036 317 D CA 0.146 54.209 54.000 0.106 0.000 0.848 317 D CB 2.235 43.089 40.800 0.090 0.000 1.307 317 D HN 0.902 nan 8.370 nan 0.000 0.469 318 A N 0.480 123.360 122.820 0.100 0.000 2.515 318 A HA 0.869 5.189 4.320 -0.000 0.000 0.296 318 A C -1.461 176.176 177.584 0.088 0.000 1.094 318 A CA -0.592 51.503 52.037 0.097 0.000 0.718 318 A CB 2.076 21.167 19.000 0.152 0.000 1.307 318 A HN 0.584 nan 8.150 nan 0.000 0.408 319 A N 0.093 122.946 122.820 0.055 0.000 2.515 319 A HA 0.843 5.163 4.320 -0.000 0.000 0.298 319 A C -0.359 177.235 177.584 0.017 0.000 1.059 319 A CA 0.039 52.106 52.037 0.050 0.000 0.698 319 A CB 1.149 20.166 19.000 0.029 0.000 1.289 319 A HN 2.306 nan 8.150 nan 0.000 0.404 320 V N -1.747 118.192 119.914 0.041 0.000 3.105 320 V HA 0.684 4.804 4.120 -0.000 0.000 0.311 320 V C -0.227 175.873 176.094 0.010 0.000 1.282 320 V CA -1.134 61.174 62.300 0.012 0.000 1.065 320 V CB 0.915 32.774 31.823 0.061 0.000 1.136 320 V HN 0.792 nan 8.190 nan 0.000 0.469 321 E N 1.557 121.756 120.200 -0.003 0.000 2.502 321 E HA 0.095 4.445 4.350 -0.000 0.000 0.261 321 E C -1.807 174.817 176.600 0.039 0.000 0.974 321 E CA -1.065 55.329 56.400 -0.011 0.000 0.936 321 E CB 0.916 30.609 29.700 -0.012 0.000 0.926 321 E HN 0.477 nan 8.360 nan 0.000 0.459 322 P HA -0.216 nan 4.420 nan 0.000 0.217 322 P C 1.471 178.905 177.300 0.223 0.000 1.158 322 P CA 0.943 64.133 63.100 0.149 0.000 0.887 322 P CB 0.141 31.952 31.700 0.187 0.000 0.792 323 I N -0.428 120.225 120.570 0.138 0.000 2.567 323 I HA -0.175 3.995 4.170 -0.000 0.000 0.257 323 I C 0.571 176.674 176.117 -0.023 0.000 1.184 323 I CA 1.862 63.217 61.300 0.091 0.000 1.451 323 I CB -0.629 37.395 38.000 0.040 0.000 1.089 323 I HN -0.033 nan 8.210 nan 0.000 0.441 324 D N 0.247 120.644 120.400 -0.004 0.000 2.358 324 D HA -0.038 4.602 4.640 -0.000 0.000 0.224 324 D C 1.821 178.081 176.300 -0.066 0.000 1.123 324 D CA -0.070 53.886 54.000 -0.074 0.000 0.833 324 D CB -0.166 40.629 40.800 -0.008 0.000 0.946 324 D HN 0.370 nan 8.370 nan 0.000 0.505 325 F N 1.261 121.238 119.950 0.046 0.000 2.141 325 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 325 F C -1.086 174.750 175.800 0.060 0.000 1.079 325 F CA 0.732 58.768 58.000 0.061 0.000 1.264 325 F CB -2.133 36.908 39.000 0.069 0.000 1.011 325 F HN -0.028 nan 8.300 nan 0.000 0.487 326 P HA -0.168 nan 4.420 nan 0.000 0.218 326 P C 1.748 179.005 177.300 -0.072 0.000 1.146 326 P CA 2.217 65.177 63.100 -0.232 0.000 0.813 326 P CB -0.377 31.087 31.700 -0.392 0.000 0.778 327 I N -5.752 114.782 120.570 -0.060 0.000 3.783 327 I HA 0.272 4.442 4.170 -0.000 0.000 0.310 327 I C 1.881 178.007 176.117 0.016 0.000 1.274 327 I CA 0.320 61.591 61.300 -0.049 0.000 1.294 327 I CB -0.607 37.363 38.000 -0.050 0.000 1.051 327 I HN -0.245 nan 8.210 nan 0.000 0.435 328 A N 2.665 125.567 122.820 0.137 0.000 1.917 328 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 328 A C 0.194 177.871 177.584 0.156 0.000 1.182 328 A CA 1.861 54.032 52.037 0.225 0.000 0.633 328 A CB -1.994 17.134 19.000 0.213 0.000 0.819 328 A HN 0.403 nan 8.150 nan 0.000 0.448 329 P HA -0.102 nan 4.420 nan 0.000 0.219 329 P C 1.534 178.851 177.300 0.028 0.000 1.146 329 P CA 1.128 64.277 63.100 0.082 0.000 0.808 329 P CB -0.147 31.600 31.700 0.077 0.000 0.779 330 V N -1.484 118.370 119.914 -0.099 0.000 2.261 330 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 330 V C 2.110 178.086 176.094 -0.197 0.000 1.047 330 V CA 1.919 64.079 62.300 -0.232 0.000 1.015 330 V CB -1.503 30.036 31.823 -0.473 0.000 0.642 330 V HN 0.048 nan 8.190 nan 0.000 0.446 331 Y N 0.678 121.004 120.300 0.044 0.000 2.242 331 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 331 Y C 2.520 178.453 175.900 0.054 0.000 1.137 331 Y CA 1.010 59.134 58.100 0.041 0.000 1.181 331 Y CB -1.168 37.310 38.460 0.031 0.000 0.989 331 Y HN 0.179 nan 8.280 nan 0.000 0.527 332 A N 0.164 123.103 122.820 0.198 0.000 1.902 332 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 332 A C 2.477 180.137 177.584 0.127 0.000 1.181 332 A CA 1.801 53.928 52.037 0.150 0.000 0.623 332 A CB -1.208 17.875 19.000 0.139 0.000 0.818 332 A HN 0.389 nan 8.150 nan 0.000 0.443 333 A N -0.514 122.384 122.820 0.130 0.000 1.902 333 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 333 A C 2.446 180.104 177.584 0.124 0.000 1.181 333 A CA 2.070 54.197 52.037 0.151 0.000 0.623 333 A CB -0.867 18.286 19.000 0.255 0.000 0.818 333 A HN 0.452 nan 8.150 nan 0.000 0.443 334 S N -0.382 115.385 115.700 0.111 0.000 2.356 334 S HA -0.188 4.282 4.470 -0.000 0.000 0.223 334 S C 2.023 176.668 174.600 0.075 0.000 1.032 334 S CA 1.809 60.066 58.200 0.093 0.000 1.005 334 S CB -0.439 62.820 63.200 0.097 0.000 0.867 334 S HN 0.569 nan 8.310 nan 0.000 0.449 335 M N 0.724 120.376 119.600 0.086 0.000 2.082 335 M HA -0.146 4.334 4.480 -0.000 0.000 0.258 335 M C 2.155 178.471 176.300 0.026 0.000 1.069 335 M CA 1.386 56.721 55.300 0.058 0.000 1.102 335 M CB -0.719 31.922 32.600 0.069 0.000 1.336 335 M HN 0.163 nan 8.290 nan 0.000 0.404 336 V N 0.566 120.498 119.914 0.030 0.000 2.295 336 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 336 V C 2.270 178.343 176.094 -0.035 0.000 1.049 336 V CA 1.769 64.067 62.300 -0.004 0.000 1.024 336 V CB -0.650 31.180 31.823 0.012 0.000 0.648 336 V HN 0.454 nan 8.190 nan 0.000 0.447 337 L N -0.288 120.920 121.223 -0.024 0.000 2.012 337 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 337 L C 2.610 179.453 176.870 -0.045 0.000 1.073 337 L CA 2.086 56.896 54.840 -0.051 0.000 0.748 337 L CB -0.627 41.425 42.059 -0.011 0.000 0.891 337 L HN 0.305 nan 8.230 nan 0.000 0.431 338 K N 0.114 120.505 120.400 -0.016 0.000 2.032 338 K HA -0.269 4.050 4.320 -0.000 0.000 0.209 338 K C 1.847 178.429 176.600 -0.031 0.000 1.048 338 K CA 2.055 58.333 56.287 -0.015 0.000 0.927 338 K CB -0.124 32.378 32.500 0.004 0.000 0.712 338 K HN 0.176 nan 8.250 nan 0.000 0.441 339 D N -0.195 120.184 120.400 -0.036 0.000 2.123 339 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 339 D C 1.582 177.845 176.300 -0.061 0.000 0.992 339 D CA 1.252 55.222 54.000 -0.050 0.000 0.833 339 D CB 0.151 40.913 40.800 -0.064 0.000 0.954 339 D HN 0.074 nan 8.370 nan 0.000 0.455 340 V N -0.736 119.133 119.914 -0.074 0.000 3.235 340 V HA 0.222 4.342 4.120 -0.000 0.000 0.259 340 V C 1.567 177.611 176.094 -0.083 0.000 1.133 340 V CA 0.723 62.972 62.300 -0.084 0.000 1.128 340 V CB -0.177 31.577 31.823 -0.115 0.000 0.757 340 V HN 0.492 nan 8.190 nan 0.000 0.469 341 G N 1.044 109.800 108.800 -0.074 0.000 2.256 341 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.272 341 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.272 341 G C -0.174 174.673 174.900 -0.087 0.000 1.076 341 G CA 0.331 45.393 45.100 -0.063 0.000 0.882 341 G HN 0.422 nan 8.290 nan 0.000 0.497 342 L N -1.300 119.849 121.223 -0.122 0.000 2.331 342 L HA 0.692 5.032 4.340 -0.000 0.000 0.268 342 L C 0.778 177.596 176.870 -0.088 0.000 1.015 342 L CA -1.086 53.661 54.840 -0.154 0.000 0.807 342 L CB 1.398 43.275 42.059 -0.304 0.000 1.293 342 L HN 0.058 nan 8.230 nan 0.000 0.451 343 K N 0.074 120.434 120.400 -0.067 0.000 2.166 343 K HA 0.244 4.563 4.320 -0.000 0.000 0.245 343 K C 0.633 177.248 176.600 0.026 0.000 0.967 343 K CA -0.775 55.507 56.287 -0.008 0.000 0.863 343 K CB 1.869 34.372 32.500 0.005 0.000 1.107 343 K HN 0.458 nan 8.250 nan 0.000 0.436 344 K N 0.538 121.002 120.400 0.105 0.000 2.160 344 K HA -0.226 4.094 4.320 -0.000 0.000 0.206 344 K C 0.746 177.495 176.600 0.247 0.000 1.047 344 K CA 1.759 58.201 56.287 0.259 0.000 0.930 344 K CB -0.011 32.657 32.500 0.280 0.000 0.720 344 K HN 0.429 nan 8.250 nan 0.000 0.450 345 E N 1.381 121.663 120.200 0.137 0.000 2.265 345 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 345 E C 1.310 177.962 176.600 0.087 0.000 0.996 345 E CA 1.213 57.682 56.400 0.115 0.000 0.832 345 E CB -0.075 29.667 29.700 0.070 0.000 0.756 345 E HN 0.385 nan 8.360 nan 0.000 0.491 346 D N -0.038 120.385 120.400 0.038 0.000 2.312 346 D HA -0.061 4.579 4.640 -0.000 0.000 0.211 346 D C 0.206 176.511 176.300 0.009 0.000 0.964 346 D CA 0.446 54.448 54.000 0.003 0.000 0.877 346 D CB 0.196 40.936 40.800 -0.099 0.000 0.924 346 D HN 0.143 nan 8.370 nan 0.000 0.515 347 I N 1.322 121.873 120.570 -0.033 0.000 2.396 347 I HA 0.095 4.264 4.170 -0.000 0.000 0.289 347 I C 1.438 177.533 176.117 -0.036 0.000 1.056 347 I CA -0.421 60.785 61.300 -0.158 0.000 1.365 347 I CB 0.894 38.509 38.000 -0.642 0.000 1.407 347 I HN -0.186 nan 8.210 nan 0.000 0.509 348 A N 7.043 129.850 122.820 -0.023 0.000 1.970 348 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 348 A C 1.022 178.630 177.584 0.040 0.000 1.170 348 A CA 0.781 52.833 52.037 0.025 0.000 0.645 348 A CB 0.228 19.234 19.000 0.011 0.000 0.816 348 A HN 0.700 nan 8.150 nan 0.000 0.447 349 M N -1.161 118.416 119.600 -0.039 0.000 2.324 349 M HA 0.478 4.958 4.480 -0.000 0.000 0.288 349 M C -2.381 173.889 176.300 -0.049 0.000 1.097 349 M CA -0.467 54.855 55.300 0.037 0.000 0.928 349 M CB 1.687 34.298 32.600 0.020 0.000 1.648 349 M HN 0.318 nan 8.290 nan 0.000 0.460 350 W N 2.881 124.215 121.300 0.055 0.000 2.573 350 W HA 0.478 5.137 4.660 -0.000 0.000 0.326 350 W C -0.376 176.185 176.519 0.071 0.000 1.049 350 W CA -0.315 57.063 57.345 0.056 0.000 1.220 350 W CB 1.259 30.746 29.460 0.045 0.000 1.373 350 W HN 0.357 nan 8.180 nan 0.000 0.507 351 E N 2.858 123.225 120.200 0.279 0.000 2.207 351 E HA 0.300 4.650 4.350 -0.000 0.000 0.250 351 E C -1.218 175.500 176.600 0.196 0.000 0.890 351 E CA -0.599 55.928 56.400 0.212 0.000 0.749 351 E CB 1.768 31.567 29.700 0.166 0.000 1.193 351 E HN 0.156 nan 8.360 nan 0.000 0.423 352 V N 3.590 123.610 119.914 0.177 0.000 2.311 352 V HA 0.134 4.254 4.120 -0.000 0.000 0.275 352 V C 0.420 176.552 176.094 0.064 0.000 1.022 352 V CA -1.005 61.367 62.300 0.121 0.000 0.830 352 V CB 0.999 32.870 31.823 0.081 0.000 1.012 352 V HN 0.480 nan 8.190 nan 0.000 0.452 353 N N 3.759 122.483 118.700 0.040 0.000 2.357 353 N HA -0.051 4.689 4.740 -0.000 0.000 0.257 353 N C 0.506 175.979 175.510 -0.061 0.000 1.250 353 N CA 0.450 53.483 53.050 -0.029 0.000 0.862 353 N CB 0.501 38.948 38.487 -0.066 0.000 1.066 353 N HN 0.683 nan 8.380 nan 0.000 0.468 354 E N 2.849 122.995 120.200 -0.090 0.000 2.392 354 E HA 0.102 4.452 4.350 -0.000 0.000 0.307 354 E C 0.741 177.235 176.600 -0.177 0.000 1.505 354 E CA -0.360 56.002 56.400 -0.065 0.000 1.716 354 E CB -0.077 29.639 29.700 0.027 0.000 1.450 354 E HN 0.674 nan 8.360 nan 0.000 0.484 355 A N 1.486 124.184 122.820 -0.204 0.000 1.908 355 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 355 A C 0.438 177.642 177.584 -0.633 0.000 1.181 355 A CA 1.308 53.138 52.037 -0.346 0.000 0.627 355 A CB -0.007 18.953 19.000 -0.066 0.000 0.818 355 A HN 0.350 nan 8.150 nan 0.000 0.445 356 F N -3.531 116.457 119.950 0.064 0.000 2.613 356 F HA 0.412 4.939 4.527 -0.000 0.000 0.310 356 F C 1.323 177.126 175.800 0.005 0.000 1.085 356 F CA -0.381 57.659 58.000 0.067 0.000 0.945 356 F CB 1.509 40.553 39.000 0.073 0.000 1.298 356 F HN -0.122 nan 8.300 nan 0.000 0.455 357 S N 1.161 116.992 115.700 0.218 0.000 2.374 357 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 357 S C 2.103 176.645 174.600 -0.097 0.000 1.037 357 S CA 1.168 59.405 58.200 0.061 0.000 1.024 357 S CB -0.253 63.084 63.200 0.227 0.000 0.861 357 S HN 0.652 nan 8.310 nan 0.000 0.456 358 L N 2.169 123.408 121.223 0.027 0.000 2.051 358 L HA -0.153 4.187 4.340 -0.000 0.000 0.214 358 L C 2.142 178.965 176.870 -0.078 0.000 1.076 358 L CA 1.953 56.771 54.840 -0.038 0.000 0.758 358 L CB -1.211 40.823 42.059 -0.042 0.000 0.890 358 L HN 0.215 nan 8.230 nan 0.000 0.433 359 V N -0.212 119.699 119.914 -0.005 0.000 2.255 359 V HA -0.292 3.828 4.120 -0.000 0.000 0.247 359 V C 2.777 178.803 176.094 -0.114 0.000 1.051 359 V CA 1.755 64.044 62.300 -0.019 0.000 1.018 359 V CB -0.532 31.358 31.823 0.112 0.000 0.641 359 V HN 0.368 nan 8.190 nan 0.000 0.445 360 V N -0.129 119.658 119.914 -0.213 0.000 2.287 360 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 360 V C 2.308 178.208 176.094 -0.324 0.000 1.053 360 V CA 2.100 64.206 62.300 -0.323 0.000 1.027 360 V CB -0.733 30.720 31.823 -0.616 0.000 0.646 360 V HN 0.444 nan 8.190 nan 0.000 0.447 361 L N 0.342 121.352 121.223 -0.356 0.000 2.083 361 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 361 L C 2.784 179.555 176.870 -0.166 0.000 1.083 361 L CA 1.525 56.227 54.840 -0.230 0.000 0.752 361 L CB -0.900 41.056 42.059 -0.172 0.000 0.899 361 L HN 0.363 nan 8.230 nan 0.000 0.433 362 A N 0.113 122.840 122.820 -0.154 0.000 1.940 362 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 362 A C 2.122 179.617 177.584 -0.149 0.000 1.176 362 A CA 1.950 53.906 52.037 -0.135 0.000 0.631 362 A CB -0.628 18.295 19.000 -0.128 0.000 0.814 362 A HN 0.498 nan 8.150 nan 0.000 0.446 363 N N -0.340 118.263 118.700 -0.161 0.000 2.135 363 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 363 N C 1.795 177.172 175.510 -0.222 0.000 1.027 363 N CA 1.476 54.418 53.050 -0.179 0.000 0.849 363 N CB -0.242 38.155 38.487 -0.151 0.000 1.002 363 N HN 0.499 nan 8.380 nan 0.000 0.425 364 I N 1.826 122.263 120.570 -0.221 0.000 2.151 364 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 364 I C 2.626 178.635 176.117 -0.181 0.000 1.080 364 I CA 1.283 62.448 61.300 -0.226 0.000 1.339 364 I CB -0.244 37.653 38.000 -0.172 0.000 1.039 364 I HN 0.148 nan 8.210 nan 0.000 0.409 365 K N 1.004 121.317 120.400 -0.145 0.000 1.991 365 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 365 K C 2.220 178.749 176.600 -0.119 0.000 1.049 365 K CA 1.884 58.102 56.287 -0.115 0.000 0.932 365 K CB -0.107 32.334 32.500 -0.099 0.000 0.717 365 K HN 0.204 nan 8.250 nan 0.000 0.441 366 M N 0.443 119.961 119.600 -0.137 0.000 2.200 366 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 366 M C 2.106 178.321 176.300 -0.142 0.000 1.066 366 M CA 1.245 56.464 55.300 -0.137 0.000 1.127 366 M CB -0.045 32.453 32.600 -0.170 0.000 1.379 366 M HN 0.167 nan 8.290 nan 0.000 0.420 367 L N -0.232 120.883 121.223 -0.180 0.000 2.240 367 L HA -0.034 4.306 4.340 -0.000 0.000 0.211 367 L C 0.254 177.030 176.870 -0.156 0.000 1.106 367 L CA 0.394 55.124 54.840 -0.184 0.000 0.793 367 L CB -0.237 41.645 42.059 -0.294 0.000 0.927 367 L HN 0.345 nan 8.230 nan 0.000 0.446 368 E N 0.991 121.097 120.200 -0.156 0.000 2.340 368 E HA -0.218 4.132 4.350 -0.000 0.000 0.240 368 E C -0.287 176.233 176.600 -0.133 0.000 1.154 368 E CA 0.328 56.656 56.400 -0.119 0.000 0.717 368 E CB -1.742 27.914 29.700 -0.074 0.000 1.250 368 E HN 0.591 nan 8.360 nan 0.000 0.386 369 I N -2.902 117.538 120.570 -0.218 0.000 2.822 369 I HA 0.478 4.648 4.170 -0.000 0.000 0.312 369 I C 0.458 176.469 176.117 -0.176 0.000 1.011 369 I CA -1.075 60.079 61.300 -0.244 0.000 1.105 369 I CB 1.114 38.768 38.000 -0.577 0.000 1.291 369 I HN -0.223 nan 8.210 nan 0.000 0.474 370 D N 4.491 124.829 120.400 -0.104 0.000 2.346 370 D HA 0.191 4.831 4.640 -0.000 0.000 0.260 370 D C -1.554 174.720 176.300 -0.044 0.000 1.252 370 D CA -2.362 51.614 54.000 -0.040 0.000 0.895 370 D CB 1.156 41.968 40.800 0.021 0.000 1.097 370 D HN 0.317 nan 8.370 nan 0.000 0.489 371 P HA -0.147 nan 4.420 nan 0.000 0.223 371 P C 0.925 178.252 177.300 0.045 0.000 1.144 371 P CA 0.750 63.853 63.100 0.005 0.000 0.783 371 P CB 0.385 32.101 31.700 0.027 0.000 0.771 372 Q N -0.042 119.783 119.800 0.042 0.000 2.436 372 Q HA -0.034 4.306 4.340 -0.000 0.000 0.209 372 Q C 1.439 177.487 176.000 0.081 0.000 0.965 372 Q CA 1.026 56.862 55.803 0.054 0.000 0.910 372 Q CB -0.239 28.525 28.738 0.043 0.000 0.980 372 Q HN 0.419 nan 8.270 nan 0.000 0.491 373 K N -0.119 120.345 120.400 0.106 0.000 2.372 373 K HA 0.190 4.510 4.320 -0.000 0.000 0.200 373 K C -0.299 176.450 176.600 0.248 0.000 1.022 373 K CA -0.051 56.348 56.287 0.188 0.000 1.125 373 K CB 1.172 33.836 32.500 0.273 0.000 0.855 373 K HN -0.132 nan 8.250 nan 0.000 0.524 374 V N 2.435 122.449 119.914 0.166 0.000 2.417 374 V HA 0.134 4.253 4.120 -0.000 0.000 0.291 374 V C -0.265 175.939 176.094 0.182 0.000 1.024 374 V CA -1.128 61.282 62.300 0.184 0.000 0.861 374 V CB 1.346 33.221 31.823 0.086 0.000 0.985 374 V HN 0.411 nan 8.190 nan 0.000 0.436 375 N N 2.709 121.529 118.700 0.199 0.000 2.705 375 N HA -0.223 4.517 4.740 -0.000 0.000 0.255 375 N C 0.943 176.522 175.510 0.116 0.000 1.008 375 N CA 1.188 54.337 53.050 0.164 0.000 0.742 375 N CB -0.717 37.882 38.487 0.188 0.000 0.906 375 N HN 0.936 nan 8.380 nan 0.000 0.541 376 I N -3.738 116.907 120.570 0.125 0.000 2.614 376 I HA -0.094 4.076 4.170 -0.000 0.000 0.258 376 I C 0.677 176.827 176.117 0.056 0.000 1.189 376 I CA 1.374 62.725 61.300 0.085 0.000 1.462 376 I CB -0.003 38.048 38.000 0.085 0.000 1.092 376 I HN 0.004 nan 8.210 nan 0.000 0.442 377 N N 1.694 120.435 118.700 0.068 0.000 2.338 377 N HA 0.342 5.081 4.740 -0.000 0.000 0.251 377 N C 0.466 175.989 175.510 0.022 0.000 1.199 377 N CA 0.795 53.857 53.050 0.020 0.000 0.879 377 N CB 1.123 39.608 38.487 -0.002 0.000 1.159 377 N HN 0.641 nan 8.380 nan 0.000 0.514 378 G N -0.797 108.007 108.800 0.007 0.000 2.631 378 G HA2 0.225 4.185 3.960 -0.000 0.000 0.504 378 G HA3 0.225 4.185 3.960 -0.000 0.000 0.504 378 G C -0.283 174.603 174.900 -0.024 0.000 1.306 378 G CA -0.538 44.550 45.100 -0.020 0.000 0.897 378 G HN 0.577 nan 8.290 nan 0.000 0.520 379 G N -3.053 105.719 108.800 -0.045 0.000 2.427 379 G HA2 0.737 4.696 3.960 -0.000 0.000 0.306 379 G HA3 0.737 4.696 3.960 -0.000 0.000 0.306 379 G C 0.906 175.766 174.900 -0.066 0.000 1.280 379 G CA 1.148 46.227 45.100 -0.036 0.000 0.837 379 G HN 2.152 nan 8.290 nan 0.000 0.482 380 A N -0.799 121.974 122.820 -0.078 0.000 2.076 380 A HA 0.166 4.486 4.320 -0.000 0.000 0.220 380 A C 2.429 179.959 177.584 -0.089 0.000 1.160 380 A CA 2.414 54.386 52.037 -0.109 0.000 0.653 380 A CB -0.497 18.342 19.000 -0.268 0.000 0.801 380 A HN 1.027 nan 8.150 nan 0.000 0.455 381 V N 0.480 120.347 119.914 -0.079 0.000 2.407 381 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 381 V C 2.747 178.692 176.094 -0.249 0.000 1.055 381 V CA 2.374 64.631 62.300 -0.071 0.000 1.049 381 V CB -0.397 31.450 31.823 0.039 0.000 0.662 381 V HN 0.817 nan 8.190 nan 0.000 0.455 382 S N -1.639 113.819 115.700 -0.403 0.000 2.527 382 S HA 0.203 4.673 4.470 -0.000 0.000 0.227 382 S C 1.661 176.150 174.600 -0.184 0.000 1.059 382 S CA 0.068 57.837 58.200 -0.717 0.000 0.919 382 S CB -0.040 62.609 63.200 -0.917 0.000 0.805 382 S HN 0.425 nan 8.310 nan 0.000 0.500 383 L N 1.475 122.647 121.223 -0.084 0.000 2.375 383 L HA 0.398 4.738 4.340 -0.000 0.000 0.215 383 L C 1.338 178.227 176.870 0.032 0.000 1.108 383 L CA 0.517 55.367 54.840 0.016 0.000 0.830 383 L CB -0.614 41.432 42.059 -0.021 0.000 0.959 383 L HN 0.650 nan 8.230 nan 0.000 0.457 384 G N -0.422 108.389 108.800 0.017 0.000 2.612 384 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 384 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 384 G C -1.125 173.836 174.900 0.102 0.000 1.274 384 G CA -0.724 44.412 45.100 0.060 0.000 0.849 384 G HN 0.253 nan 8.290 nan 0.000 0.595 385 H N 0.890 119.948 119.070 -0.020 0.000 2.538 385 H HA 0.544 5.100 4.556 -0.000 0.000 0.239 385 H C -2.610 172.703 175.328 -0.026 0.000 1.401 385 H CA -2.009 54.017 56.048 -0.035 0.000 1.499 385 H CB 1.127 30.845 29.762 -0.074 0.000 1.624 385 H HN 0.380 nan 8.280 nan 0.000 0.524 386 P HA 0.082 nan 4.420 nan 0.000 0.273 386 P C 1.702 178.933 177.300 -0.115 0.000 1.319 386 P CA -0.197 62.877 63.100 -0.044 0.000 0.885 386 P CB 0.102 31.810 31.700 0.013 0.000 1.015 387 I N 1.073 121.467 120.570 -0.294 0.000 2.194 387 I HA -0.168 4.002 4.170 -0.000 0.000 0.246 387 I C 1.834 177.873 176.117 -0.130 0.000 1.093 387 I CA 2.014 63.066 61.300 -0.413 0.000 1.355 387 I CB -1.330 36.392 38.000 -0.464 0.000 1.046 387 I HN 0.243 nan 8.210 nan 0.000 0.413 388 G N 1.578 110.329 108.800 -0.082 0.000 2.598 388 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 388 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 388 G C 1.549 176.451 174.900 0.004 0.000 1.131 388 G CA 0.904 45.985 45.100 -0.031 0.000 0.785 388 G HN 0.654 nan 8.290 nan 0.000 0.539 389 M N -1.127 118.484 119.600 0.018 0.000 2.567 389 M HA 0.406 4.886 4.480 -0.000 0.000 0.261 389 M C 2.156 178.496 176.300 0.066 0.000 1.180 389 M CA 1.327 56.651 55.300 0.040 0.000 1.143 389 M CB 0.052 32.674 32.600 0.037 0.000 1.319 389 M HN -0.111 nan 8.290 nan 0.000 0.490 390 S N 1.533 117.297 115.700 0.107 0.000 2.374 390 S HA -0.071 4.399 4.470 -0.000 0.000 0.227 390 S C 2.056 176.705 174.600 0.083 0.000 1.037 390 S CA 1.715 59.988 58.200 0.121 0.000 1.024 390 S CB -1.332 61.998 63.200 0.217 0.000 0.861 390 S HN 0.791 nan 8.310 nan 0.000 0.456 391 G N 1.088 109.936 108.800 0.080 0.000 2.442 391 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.219 391 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.219 391 G C 1.485 176.415 174.900 0.050 0.000 1.141 391 G CA 1.010 46.146 45.100 0.060 0.000 0.763 391 G HN 0.604 nan 8.290 nan 0.000 0.554 392 A N 0.430 123.279 122.820 0.048 0.000 1.930 392 A HA 0.135 4.454 4.320 -0.000 0.000 0.215 392 A C 2.285 179.907 177.584 0.064 0.000 1.176 392 A CA 1.562 53.627 52.037 0.046 0.000 0.632 392 A CB -0.408 18.616 19.000 0.041 0.000 0.819 392 A HN 0.347 nan 8.150 nan 0.000 0.445 393 R N 0.630 121.173 120.500 0.071 0.000 2.083 393 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 393 R C 2.110 178.480 176.300 0.115 0.000 1.137 393 R CA 2.170 58.322 56.100 0.086 0.000 0.951 393 R CB -0.623 29.715 30.300 0.064 0.000 0.851 393 R HN 0.689 nan 8.270 nan 0.000 0.434 394 I N -1.819 118.810 120.570 0.099 0.000 2.394 394 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 394 I C 1.876 178.070 176.117 0.129 0.000 1.136 394 I CA 0.986 62.361 61.300 0.125 0.000 1.425 394 I CB -0.351 37.707 38.000 0.095 0.000 1.079 394 I HN -0.062 nan 8.210 nan 0.000 0.425 395 V N 2.467 122.435 119.914 0.089 0.000 2.358 395 V HA -0.135 3.984 4.120 -0.000 0.000 0.246 395 V C 2.906 179.036 176.094 0.060 0.000 1.047 395 V CA 2.152 64.488 62.300 0.060 0.000 1.035 395 V CB -1.486 30.356 31.823 0.033 0.000 0.658 395 V HN 0.642 nan 8.190 nan 0.000 0.452 396 G N -0.977 107.877 108.800 0.090 0.000 2.442 396 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.219 396 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.219 396 G C 1.467 176.487 174.900 0.200 0.000 1.141 396 G CA 1.349 46.520 45.100 0.119 0.000 0.763 396 G HN 0.638 nan 8.290 nan 0.000 0.554 397 H N 0.322 119.472 119.070 0.134 0.000 2.357 397 H HA 0.153 4.708 4.556 -0.000 0.000 0.301 397 H C 2.555 177.939 175.328 0.093 0.000 1.082 397 H CA 1.128 57.269 56.048 0.154 0.000 1.342 397 H CB -0.256 29.592 29.762 0.143 0.000 1.389 397 H HN 0.249 nan 8.280 nan 0.000 0.511 398 L N -0.469 120.752 121.223 -0.005 0.000 2.042 398 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 398 L C 2.416 179.210 176.870 -0.128 0.000 1.076 398 L CA 1.843 56.635 54.840 -0.080 0.000 0.749 398 L CB -0.748 41.301 42.059 -0.017 0.000 0.893 398 L HN 0.378 nan 8.230 nan 0.000 0.432 399 T N -1.749 112.733 114.554 -0.120 0.000 2.653 399 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 399 T C 1.748 176.275 174.700 -0.288 0.000 1.035 399 T CA 1.605 63.576 62.100 -0.215 0.000 1.154 399 T CB -0.351 68.351 68.868 -0.275 0.000 0.862 399 T HN 0.419 nan 8.240 nan 0.000 0.441 400 H N 0.144 119.129 119.070 -0.141 0.000 2.384 400 H HA 0.321 4.877 4.556 -0.000 0.000 0.300 400 H C 2.627 177.821 175.328 -0.223 0.000 1.057 400 H CA 1.138 57.090 56.048 -0.160 0.000 1.370 400 H CB -0.376 29.304 29.762 -0.137 0.000 1.417 400 H HN 0.410 nan 8.280 nan 0.000 0.527 401 A N 1.561 124.242 122.820 -0.232 0.000 1.968 401 A HA 0.030 4.350 4.320 -0.000 0.000 0.217 401 A C 1.458 178.947 177.584 -0.158 0.000 1.169 401 A CA 0.090 51.965 52.037 -0.270 0.000 0.638 401 A CB -0.689 18.031 19.000 -0.467 0.000 0.812 401 A HN 0.137 nan 8.150 nan 0.000 0.446 402 L N 0.544 121.683 121.223 -0.140 0.000 2.483 402 L HA 0.063 4.403 4.340 -0.000 0.000 0.276 402 L C 0.344 177.157 176.870 -0.094 0.000 1.213 402 L CA 0.108 54.885 54.840 -0.105 0.000 0.843 402 L CB 0.412 42.406 42.059 -0.108 0.000 1.107 402 L HN 0.252 nan 8.230 nan 0.000 0.487 403 K N 1.827 122.179 120.400 -0.081 0.000 2.098 403 K HA 0.205 4.525 4.320 -0.000 0.000 0.261 403 K C -0.369 176.180 176.600 -0.086 0.000 0.987 403 K CA -0.750 55.493 56.287 -0.073 0.000 0.916 403 K CB 1.031 33.497 32.500 -0.057 0.000 1.039 403 K HN 0.470 nan 8.250 nan 0.000 0.455 404 Q N 0.449 120.201 119.800 -0.080 0.000 2.398 404 Q HA -0.123 4.217 4.340 -0.000 0.000 0.329 404 Q C 0.672 176.608 176.000 -0.106 0.000 1.079 404 Q CA 1.615 57.364 55.803 -0.090 0.000 1.041 404 Q CB -0.002 28.694 28.738 -0.071 0.000 1.084 404 Q HN 0.880 nan 8.270 nan 0.000 0.386 405 G N 3.060 111.771 108.800 -0.147 0.000 2.241 405 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.244 405 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.244 405 G C -0.207 174.530 174.900 -0.272 0.000 0.998 405 G CA 0.259 45.245 45.100 -0.191 0.000 0.621 405 G HN 0.651 nan 8.290 nan 0.000 0.519 406 E N -0.263 119.810 120.200 -0.211 0.000 2.373 406 E HA 0.490 4.840 4.350 -0.000 0.000 0.263 406 E C -0.650 175.793 176.600 -0.263 0.000 1.073 406 E CA -0.490 55.803 56.400 -0.179 0.000 0.894 406 E CB 0.611 30.257 29.700 -0.091 0.000 1.008 406 E HN 0.330 nan 8.360 nan 0.000 0.420 407 Y N 0.020 120.266 120.300 -0.091 0.000 2.323 407 Y HA 0.449 4.999 4.550 -0.000 0.000 0.331 407 Y C 0.752 176.549 175.900 -0.171 0.000 1.092 407 Y CA -0.338 57.689 58.100 -0.122 0.000 1.150 407 Y CB 1.901 40.282 38.460 -0.132 0.000 1.200 407 Y HN 0.494 nan 8.280 nan 0.000 0.472 408 G N 3.506 112.301 108.800 -0.008 0.000 2.513 408 G HA2 0.612 4.572 3.960 -0.000 0.000 0.317 408 G HA3 0.612 4.572 3.960 -0.000 0.000 0.317 408 G C -2.057 172.752 174.900 -0.152 0.000 1.277 408 G CA -0.720 44.314 45.100 -0.110 0.000 0.955 408 G HN 0.625 nan 8.290 nan 0.000 0.484 409 L N 1.894 122.941 121.223 -0.293 0.000 2.356 409 L HA 0.808 5.148 4.340 -0.000 0.000 0.277 409 L C 0.028 176.854 176.870 -0.073 0.000 0.996 409 L CA -0.779 53.902 54.840 -0.265 0.000 0.822 409 L CB 1.770 43.468 42.059 -0.600 0.000 1.256 409 L HN 0.656 nan 8.230 nan 0.000 0.413 410 A N 3.166 125.998 122.820 0.020 0.000 2.342 410 A HA 0.853 5.173 4.320 -0.000 0.000 0.323 410 A C -0.694 176.955 177.584 0.109 0.000 1.125 410 A CA -0.280 51.810 52.037 0.088 0.000 0.785 410 A CB 1.571 20.616 19.000 0.074 0.000 1.221 410 A HN 0.688 nan 8.150 nan 0.000 0.463 411 S N 1.209 116.989 115.700 0.134 0.000 2.564 411 S HA 0.813 5.283 4.470 -0.000 0.000 0.274 411 S C -0.913 173.749 174.600 0.103 0.000 1.124 411 S CA -0.552 57.724 58.200 0.126 0.000 0.869 411 S CB 1.395 64.688 63.200 0.155 0.000 1.105 411 S HN 1.378 nan 8.310 nan 0.000 0.472 412 I N 1.845 122.473 120.570 0.095 0.000 2.649 412 I HA 0.466 4.636 4.170 -0.000 0.000 0.289 412 I C -0.463 175.714 176.117 0.100 0.000 1.222 412 I CA -0.688 60.662 61.300 0.083 0.000 1.046 412 I CB 1.215 39.257 38.000 0.069 0.000 1.272 412 I HN 1.232 nan 8.210 nan 0.000 0.425 413 C N 5.490 124.864 119.300 0.125 0.000 2.500 413 C HA 0.702 5.161 4.460 -0.000 0.000 0.367 413 C C -0.231 174.813 174.990 0.091 0.000 1.283 413 C CA -0.341 58.780 59.018 0.172 0.000 2.456 413 C CB 0.528 28.471 27.740 0.339 0.000 2.457 413 C HN 0.875 nan 8.230 nan 0.000 0.632 414 N N 0.327 119.057 118.700 0.049 0.000 2.329 414 N HA 0.416 5.156 4.740 -0.000 0.000 0.282 414 N C -0.328 175.078 175.510 -0.173 0.000 1.198 414 N CA -0.280 52.728 53.050 -0.071 0.000 0.790 414 N CB 1.716 40.193 38.487 -0.017 0.000 1.579 414 N HN 1.094 nan 8.380 nan 0.000 0.475 415 G N -0.983 107.652 108.800 -0.274 0.000 2.391 415 G HA2 0.341 4.301 3.960 -0.000 0.000 0.234 415 G HA3 0.341 4.301 3.960 -0.000 0.000 0.234 415 G C 1.171 176.040 174.900 -0.052 0.000 1.284 415 G CA 0.549 45.492 45.100 -0.262 0.000 0.873 415 G HN 1.420 nan 8.290 nan 0.000 0.549 416 G N 0.151 108.985 108.800 0.056 0.000 2.194 416 G HA2 0.229 4.189 3.960 -0.000 0.000 0.236 416 G HA3 0.229 4.189 3.960 -0.000 0.000 0.236 416 G C 1.305 176.296 174.900 0.151 0.000 0.987 416 G CA 0.874 46.085 45.100 0.186 0.000 0.635 416 G HN 2.667 nan 8.290 nan 0.000 0.520 417 G N -1.229 107.673 108.800 0.170 0.000 2.143 417 G HA2 0.367 4.327 3.960 -0.000 0.000 0.175 417 G HA3 0.367 4.327 3.960 -0.000 0.000 0.175 417 G C 1.034 176.028 174.900 0.157 0.000 1.004 417 G CA 0.838 46.053 45.100 0.191 0.000 0.671 417 G HN 2.001 nan 8.290 nan 0.000 0.512 418 G N -0.838 108.042 108.800 0.134 0.000 2.521 418 G HA2 1.031 4.991 3.960 -0.000 0.000 0.323 418 G HA3 1.031 4.991 3.960 -0.000 0.000 0.323 418 G C -0.217 174.762 174.900 0.132 0.000 1.211 418 G CA 0.045 45.213 45.100 0.113 0.000 0.979 418 G HN 1.657 nan 8.290 nan 0.000 0.490 419 A N -0.568 122.324 122.820 0.120 0.000 2.606 419 A HA 0.810 5.129 4.320 -0.000 0.000 0.293 419 A C -0.491 177.156 177.584 0.105 0.000 1.082 419 A CA -0.496 51.612 52.037 0.119 0.000 0.685 419 A CB 1.458 20.541 19.000 0.139 0.000 1.284 419 A HN 0.958 nan 8.150 nan 0.000 0.408 420 S N -0.556 115.202 115.700 0.097 0.000 2.568 420 S HA 0.909 5.378 4.470 -0.000 0.000 0.302 420 S C -0.274 174.391 174.600 0.108 0.000 1.082 420 S CA 0.046 58.305 58.200 0.098 0.000 1.009 420 S CB 1.786 65.030 63.200 0.072 0.000 1.069 420 S HN 1.903 nan 8.310 nan 0.000 0.500 421 A N 2.025 124.920 122.820 0.125 0.000 2.515 421 A HA 0.859 5.179 4.320 -0.000 0.000 0.298 421 A C -1.147 176.526 177.584 0.148 0.000 1.059 421 A CA -0.616 51.495 52.037 0.124 0.000 0.698 421 A CB 1.570 20.645 19.000 0.124 0.000 1.289 421 A HN 0.809 nan 8.150 nan 0.000 0.404 422 M N 2.058 121.731 119.600 0.121 0.000 2.386 422 M HA 0.673 5.152 4.480 -0.000 0.000 0.293 422 M C -2.277 174.071 176.300 0.081 0.000 1.120 422 M CA -0.888 54.500 55.300 0.147 0.000 0.909 422 M CB 1.853 34.523 32.600 0.117 0.000 1.661 422 M HN 0.759 nan 8.290 nan 0.000 0.452 423 L N 6.941 128.217 121.223 0.087 0.000 2.313 423 L HA 0.768 5.108 4.340 -0.000 0.000 0.283 423 L C -1.246 175.673 176.870 0.081 0.000 1.013 423 L CA -0.388 54.476 54.840 0.040 0.000 0.816 423 L CB 1.425 43.483 42.059 -0.001 0.000 1.236 423 L HN 0.735 nan 8.230 nan 0.000 0.419 424 I N 1.270 121.878 120.570 0.063 0.000 2.846 424 I HA 0.649 4.819 4.170 -0.000 0.000 0.307 424 I C -1.089 175.043 176.117 0.025 0.000 1.053 424 I CA -0.722 60.605 61.300 0.045 0.000 1.050 424 I CB 2.036 40.038 38.000 0.002 0.000 1.239 424 I HN 0.746 nan 8.210 nan 0.000 0.439 425 Q N 3.331 123.095 119.800 -0.060 0.000 2.321 425 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 425 Q C -1.167 174.721 176.000 -0.187 0.000 1.032 425 Q CA -0.952 54.711 55.803 -0.233 0.000 0.784 425 Q CB 1.920 30.414 28.738 -0.407 0.000 1.264 425 Q HN 0.558 nan 8.270 nan 0.000 0.448 426 K N 2.824 123.106 120.400 -0.198 0.000 2.401 426 K HA 0.123 4.443 4.320 -0.000 0.000 0.278 426 K C -0.368 176.145 176.600 -0.145 0.000 1.018 426 K CA 0.004 56.199 56.287 -0.153 0.000 0.981 426 K CB 0.461 32.877 32.500 -0.140 0.000 0.933 426 K HN 0.460 nan 8.250 nan 0.000 0.477 427 L N 0.000 121.155 121.223 -0.113 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.784 54.840 -0.093 0.000 0.813 427 L CB 0.000 42.013 42.059 -0.076 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502