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 2ib7_1_D DATA FIRST_RESID 35 DATA SEQUENCE SKPTLKEVVI VSATRTPIGS FLGSLSLLPA TKLGSIAIQG AIEKAGIPKE DATA SEQUENCE EVKEAYMGNV LQGGEGQAPT RQAVLGAGLP ISTPCTTINK VCASGMKAIM DATA SEQUENCE MASQSLMCGH QDVMVAGGME SMSNVPYVMN RGSTPYGGVK LEDLIVKDGL DATA SEQUENCE TDVYNKIHMG SCAENTAKKL NIARNEQDAY AINSYTRSKA AWEAGKFGNE DATA SEQUENCE VIPVTVTVKG QPDVVVKEDE EYKRVDFSKV PKLKTVFQKE NGTVTAANAS DATA SEQUENCE TLNDGAAALV LMTADAAKRL NVTPLARIVA FADAAVEPID FPIAPVYAAS DATA SEQUENCE MVLKDVGLKK EDIAMWEVNE AFSLVVLANI KMLEIDPQKV NINGGAVSLG DATA SEQUENCE HPIGMSGARI VGHLTHALKQ GEYGLASICN GGGGASAMLI QKL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 35 S HA 0.000 nan 4.470 nan 0.000 0.327 35 S C 0.000 174.594 174.600 -0.009 0.000 1.055 35 S CA 0.000 58.196 58.200 -0.007 0.000 1.107 35 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 36 K N 2.389 122.782 120.400 -0.013 0.000 2.205 36 K HA 0.544 4.864 4.320 -0.000 0.000 0.279 36 K C -2.115 174.475 176.600 -0.016 0.000 1.027 36 K CA -1.675 54.602 56.287 -0.017 0.000 0.932 36 K CB 0.399 32.885 32.500 -0.022 0.000 1.032 36 K HN 0.574 nan 8.250 nan 0.000 0.466 37 P HA 0.033 nan 4.420 nan 0.000 0.272 37 P C -0.780 176.508 177.300 -0.019 0.000 1.223 37 P CA -0.287 62.804 63.100 -0.015 0.000 0.784 37 P CB 0.546 32.236 31.700 -0.016 0.000 0.923 38 T N 2.572 117.116 114.554 -0.016 0.000 2.753 38 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 38 T C 0.267 174.955 174.700 -0.020 0.000 0.981 38 T CA -0.320 61.770 62.100 -0.017 0.000 0.956 38 T CB 0.018 68.879 68.868 -0.012 0.000 0.936 38 T HN 0.195 nan 8.240 nan 0.000 0.463 39 L N 2.634 123.843 121.223 -0.023 0.000 2.322 39 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 39 L C 0.545 177.403 176.870 -0.020 0.000 1.012 39 L CA -1.316 53.509 54.840 -0.026 0.000 0.815 39 L CB 1.452 43.494 42.059 -0.029 0.000 1.295 39 L HN 0.360 nan 8.230 nan 0.000 0.438 40 K N 1.183 121.571 120.400 -0.020 0.000 2.326 40 K HA 0.092 4.412 4.320 -0.000 0.000 0.275 40 K C -0.200 176.398 176.600 -0.003 0.000 1.018 40 K CA -0.182 56.098 56.287 -0.011 0.000 0.962 40 K CB 0.786 33.279 32.500 -0.012 0.000 0.953 40 K HN 0.490 nan 8.250 nan 0.000 0.475 41 E N 2.089 122.288 120.200 -0.002 0.000 2.360 41 E HA 0.078 4.428 4.350 -0.000 0.000 0.269 41 E C -1.129 175.478 176.600 0.010 0.000 1.022 41 E CA -0.452 55.951 56.400 0.004 0.000 0.887 41 E CB 0.779 30.479 29.700 -0.001 0.000 0.990 41 E HN 0.149 nan 8.360 nan 0.000 0.426 42 V N 5.750 125.678 119.914 0.024 0.000 2.417 42 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 42 V C -0.194 175.913 176.094 0.021 0.000 1.024 42 V CA -0.694 61.624 62.300 0.029 0.000 0.861 42 V CB 1.365 33.224 31.823 0.061 0.000 0.985 42 V HN 0.586 nan 8.190 nan 0.000 0.436 43 V N 3.134 123.051 119.914 0.005 0.000 2.769 43 V HA 0.673 4.793 4.120 -0.000 0.000 0.312 43 V C -0.413 175.672 176.094 -0.015 0.000 1.061 43 V CA -0.916 61.380 62.300 -0.007 0.000 0.931 43 V CB 1.952 33.766 31.823 -0.016 0.000 1.010 43 V HN 0.652 nan 8.190 nan 0.000 0.433 44 I N 3.521 124.076 120.570 -0.025 0.000 2.352 44 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 44 I C 0.892 176.980 176.117 -0.048 0.000 1.036 44 I CA -0.109 61.168 61.300 -0.038 0.000 1.336 44 I CB 1.661 39.630 38.000 -0.053 0.000 1.407 44 I HN 0.517 nan 8.210 nan 0.000 0.497 45 V N 4.160 124.051 119.914 -0.037 0.000 3.125 45 V HA 0.055 4.175 4.120 -0.000 0.000 0.249 45 V C 0.608 176.684 176.094 -0.030 0.000 1.113 45 V CA 0.802 63.083 62.300 -0.032 0.000 1.106 45 V CB 0.177 31.989 31.823 -0.019 0.000 0.768 45 V HN 0.890 nan 8.190 nan 0.000 0.468 46 S N -0.650 115.034 115.700 -0.026 0.000 2.537 46 S HA 0.816 5.286 4.470 -0.000 0.000 0.271 46 S C -0.997 173.608 174.600 0.007 0.000 1.148 46 S CA -0.063 58.137 58.200 -0.000 0.000 0.868 46 S CB 2.179 65.398 63.200 0.032 0.000 1.115 46 S HN 0.652 nan 8.310 nan 0.000 0.461 47 A N 1.716 124.574 122.820 0.063 0.000 2.414 47 A HA 0.820 5.140 4.320 -0.000 0.000 0.286 47 A C -0.506 177.237 177.584 0.265 0.000 1.073 47 A CA -0.625 51.487 52.037 0.126 0.000 0.727 47 A CB 1.363 20.397 19.000 0.056 0.000 1.215 47 A HN 0.929 nan 8.150 nan 0.000 0.430 48 T N 2.093 116.739 114.554 0.152 0.000 2.912 48 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 48 T C -0.319 174.435 174.700 0.090 0.000 1.052 48 T CA -0.693 61.478 62.100 0.118 0.000 0.996 48 T CB 1.679 70.599 68.868 0.086 0.000 1.070 48 T HN 0.975 nan 8.240 nan 0.000 0.465 49 R N -0.386 120.161 120.500 0.078 0.000 2.799 49 R HA 0.779 5.119 4.340 -0.000 0.000 0.270 49 R C -0.445 175.892 176.300 0.061 0.000 1.010 49 R CA -0.996 55.143 56.100 0.065 0.000 0.916 49 R CB 0.831 31.169 30.300 0.063 0.000 1.228 49 R HN 0.655 nan 8.270 nan 0.000 0.469 50 T N -0.845 113.741 114.554 0.054 0.000 2.828 50 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 50 T C -2.177 172.561 174.700 0.065 0.000 1.019 50 T CA -1.619 60.513 62.100 0.054 0.000 1.031 50 T CB 0.847 69.738 68.868 0.038 0.000 1.001 50 T HN 0.390 nan 8.240 nan 0.000 0.531 51 P HA 0.259 nan 4.420 nan 0.000 0.270 51 P C -0.492 176.832 177.300 0.040 0.000 1.227 51 P CA -0.319 62.823 63.100 0.071 0.000 0.788 51 P CB 0.241 31.954 31.700 0.022 0.000 0.926 52 I N 0.743 121.336 120.570 0.038 0.000 2.331 52 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 52 I C 1.113 177.239 176.117 0.016 0.000 0.998 52 I CA -0.108 61.212 61.300 0.033 0.000 1.267 52 I CB 1.027 39.055 38.000 0.046 0.000 1.386 52 I HN 0.302 nan 8.210 nan 0.000 0.476 53 G N 3.925 112.736 108.800 0.017 0.000 2.389 53 G HA2 0.445 4.405 3.960 -0.000 0.000 0.317 53 G HA3 0.445 4.405 3.960 -0.000 0.000 0.317 53 G C -0.347 174.576 174.900 0.038 0.000 1.137 53 G CA -0.329 44.776 45.100 0.008 0.000 0.870 53 G HN 0.571 nan 8.290 nan 0.000 0.496 54 S N -0.058 115.663 115.700 0.035 0.000 2.600 54 S HA 0.228 4.698 4.470 -0.000 0.000 0.265 54 S C -0.095 174.582 174.600 0.128 0.000 1.325 54 S CA -0.361 57.890 58.200 0.084 0.000 1.002 54 S CB 0.692 63.929 63.200 0.062 0.000 0.921 54 S HN 0.439 nan 8.310 nan 0.000 0.554 55 F N 2.391 122.343 119.950 0.004 0.000 2.571 55 F HA 0.143 4.670 4.527 -0.000 0.000 0.384 55 F C 0.962 176.762 175.800 0.001 0.000 1.058 55 F CA -0.351 57.651 58.000 0.003 0.000 1.200 55 F CB -0.866 38.141 39.000 0.012 0.000 1.077 55 F HN 0.506 nan 8.300 nan 0.000 0.558 56 L N 4.326 125.283 121.223 -0.444 0.000 4.232 56 L HA -0.303 4.037 4.340 -0.000 0.000 0.415 56 L C 1.023 177.801 176.870 -0.153 0.000 1.168 56 L CA 0.483 55.107 54.840 -0.361 0.000 0.966 56 L CB -2.366 39.431 42.059 -0.436 0.000 2.052 56 L HN 0.799 nan 8.230 nan 0.000 0.887 57 G N -0.078 108.671 108.800 -0.086 0.000 3.022 57 G HA2 0.357 4.317 3.960 -0.000 0.000 0.157 57 G HA3 0.357 4.317 3.960 -0.000 0.000 0.157 57 G C 1.053 175.922 174.900 -0.051 0.000 1.468 57 G CA 0.430 45.500 45.100 -0.049 0.000 1.058 57 G HN 0.321 nan 8.290 nan 0.000 0.581 58 S N -0.768 114.906 115.700 -0.043 0.000 2.423 58 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 58 S C 1.811 176.389 174.600 -0.037 0.000 1.014 58 S CA 0.925 59.099 58.200 -0.044 0.000 0.965 58 S CB -0.194 62.975 63.200 -0.052 0.000 0.785 58 S HN 0.257 nan 8.310 nan 0.000 0.495 59 L N 1.888 123.093 121.223 -0.031 0.000 2.808 59 L HA 0.270 4.610 4.340 -0.000 0.000 0.246 59 L C 2.061 178.914 176.870 -0.028 0.000 1.153 59 L CA 0.408 55.234 54.840 -0.023 0.000 0.956 59 L CB 0.031 42.083 42.059 -0.010 0.000 1.270 59 L HN 0.433 nan 8.230 nan 0.000 0.528 60 S N -0.318 115.354 115.700 -0.047 0.000 2.474 60 S HA -0.067 4.403 4.470 -0.000 0.000 0.235 60 S C 1.644 176.209 174.600 -0.059 0.000 0.997 60 S CA 0.639 58.798 58.200 -0.068 0.000 0.949 60 S CB -0.263 62.867 63.200 -0.117 0.000 0.766 60 S HN 0.463 nan 8.310 nan 0.000 0.517 61 L N 0.395 121.591 121.223 -0.044 0.000 2.492 61 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 61 L C 0.457 177.313 176.870 -0.024 0.000 1.132 61 L CA 0.263 55.082 54.840 -0.035 0.000 0.850 61 L CB -0.276 41.765 42.059 -0.030 0.000 0.966 61 L HN 0.286 nan 8.230 nan 0.000 0.454 62 L N 1.874 123.085 121.223 -0.021 0.000 2.275 62 L HA 0.352 4.692 4.340 -0.000 0.000 0.288 62 L C -2.064 174.800 176.870 -0.010 0.000 1.046 62 L CA -1.977 52.856 54.840 -0.012 0.000 0.805 62 L CB 0.953 43.008 42.059 -0.007 0.000 1.193 62 L HN -0.195 nan 8.230 nan 0.000 0.426 63 P HA 0.057 nan 4.420 nan 0.000 0.272 63 P C 0.367 177.666 177.300 -0.000 0.000 1.230 63 P CA -0.276 62.821 63.100 -0.005 0.000 0.788 63 P CB 1.121 32.819 31.700 -0.003 0.000 0.949 64 A N 2.714 125.534 122.820 0.001 0.000 1.903 64 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 64 A C 2.112 179.700 177.584 0.006 0.000 1.191 64 A CA 3.111 55.150 52.037 0.004 0.000 0.638 64 A CB -2.254 16.747 19.000 0.001 0.000 0.823 64 A HN 0.698 nan 8.150 nan 0.000 0.451 65 T N -2.095 112.462 114.554 0.005 0.000 2.833 65 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 65 T C 1.800 176.505 174.700 0.009 0.000 1.054 65 T CA 1.840 63.945 62.100 0.008 0.000 1.135 65 T CB -0.210 68.662 68.868 0.007 0.000 0.869 65 T HN 0.444 nan 8.240 nan 0.000 0.466 66 K N 1.324 121.729 120.400 0.007 0.000 2.062 66 K HA 0.197 4.517 4.320 -0.000 0.000 0.205 66 K C 2.238 178.844 176.600 0.011 0.000 1.051 66 K CA 0.932 57.223 56.287 0.008 0.000 0.941 66 K CB -0.793 31.710 32.500 0.004 0.000 0.719 66 K HN 0.442 nan 8.250 nan 0.000 0.440 67 L N -0.059 121.171 121.223 0.011 0.000 2.042 67 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 67 L C 2.452 179.334 176.870 0.019 0.000 1.076 67 L CA 1.567 56.416 54.840 0.015 0.000 0.749 67 L CB -1.125 40.943 42.059 0.015 0.000 0.893 67 L HN 0.474 nan 8.230 nan 0.000 0.432 68 G N -0.696 108.115 108.800 0.018 0.000 2.491 68 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.218 68 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.218 68 G C 1.731 176.643 174.900 0.020 0.000 1.180 68 G CA 1.070 46.182 45.100 0.020 0.000 0.774 68 G HN 0.361 nan 8.290 nan 0.000 0.562 69 S N 0.475 116.185 115.700 0.017 0.000 2.370 69 S HA -0.081 4.389 4.470 -0.000 0.000 0.226 69 S C 2.293 176.904 174.600 0.018 0.000 1.033 69 S CA 1.105 59.314 58.200 0.016 0.000 1.011 69 S CB -0.238 62.970 63.200 0.013 0.000 0.852 69 S HN 0.405 nan 8.310 nan 0.000 0.457 70 I N 1.519 122.100 120.570 0.019 0.000 2.142 70 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 70 I C 2.723 178.856 176.117 0.028 0.000 1.078 70 I CA 1.189 62.503 61.300 0.022 0.000 1.343 70 I CB -0.545 37.468 38.000 0.022 0.000 1.046 70 I HN 0.269 nan 8.210 nan 0.000 0.405 71 A N 0.978 123.816 122.820 0.030 0.000 1.902 71 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 71 A C 2.298 179.903 177.584 0.034 0.000 1.181 71 A CA 1.532 53.591 52.037 0.036 0.000 0.623 71 A CB -0.832 18.192 19.000 0.039 0.000 0.818 71 A HN 0.380 nan 8.150 nan 0.000 0.443 72 I N -0.818 119.769 120.570 0.027 0.000 2.179 72 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 72 I C 2.817 178.947 176.117 0.021 0.000 1.088 72 I CA 1.805 63.119 61.300 0.022 0.000 1.357 72 I CB -0.333 37.678 38.000 0.018 0.000 1.051 72 I HN 0.510 nan 8.210 nan 0.000 0.409 73 Q N 0.890 120.703 119.800 0.021 0.000 2.084 73 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 73 Q C 2.243 178.257 176.000 0.024 0.000 0.978 73 Q CA 1.903 57.718 55.803 0.019 0.000 0.844 73 Q CB -0.323 28.426 28.738 0.018 0.000 0.898 73 Q HN 0.566 nan 8.270 nan 0.000 0.426 74 G N 0.582 109.399 108.800 0.029 0.000 2.514 74 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 74 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 74 G C 1.471 176.394 174.900 0.039 0.000 1.198 74 G CA 1.309 46.430 45.100 0.036 0.000 0.780 74 G HN 0.530 nan 8.290 nan 0.000 0.565 75 A N 0.592 123.437 122.820 0.041 0.000 1.908 75 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 75 A C 2.461 180.063 177.584 0.030 0.000 1.181 75 A CA 1.613 53.675 52.037 0.042 0.000 0.627 75 A CB -0.405 18.618 19.000 0.038 0.000 0.818 75 A HN 0.414 nan 8.150 nan 0.000 0.445 76 I N -0.634 119.949 120.570 0.022 0.000 2.252 76 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 76 I C 2.510 178.637 176.117 0.017 0.000 1.102 76 I CA 1.586 62.895 61.300 0.015 0.000 1.385 76 I CB -0.452 37.554 38.000 0.010 0.000 1.064 76 I HN 0.412 nan 8.210 nan 0.000 0.414 77 E N 0.745 120.957 120.200 0.020 0.000 2.038 77 E HA -0.296 4.054 4.350 -0.000 0.000 0.195 77 E C 2.135 178.749 176.600 0.024 0.000 1.000 77 E CA 1.429 57.841 56.400 0.020 0.000 0.803 77 E CB -0.055 29.659 29.700 0.022 0.000 0.750 77 E HN 0.216 nan 8.360 nan 0.000 0.448 78 K N 0.466 120.886 120.400 0.032 0.000 2.097 78 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 78 K C 1.837 178.457 176.600 0.033 0.000 1.049 78 K CA 1.201 57.512 56.287 0.040 0.000 0.933 78 K CB -0.232 32.304 32.500 0.061 0.000 0.717 78 K HN 0.136 nan 8.250 nan 0.000 0.442 79 A N -0.362 122.473 122.820 0.025 0.000 2.019 79 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 79 A C 1.467 179.057 177.584 0.010 0.000 1.164 79 A CA 1.330 53.376 52.037 0.014 0.000 0.644 79 A CB -0.803 18.202 19.000 0.008 0.000 0.805 79 A HN 0.454 nan 8.150 nan 0.000 0.449 80 G N -0.580 108.227 108.800 0.012 0.000 2.225 80 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.264 80 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.264 80 G C 0.108 175.011 174.900 0.005 0.000 1.060 80 G CA 0.476 45.581 45.100 0.009 0.000 0.833 80 G HN 1.472 nan 8.290 nan 0.000 0.498 81 I N -2.990 117.582 120.570 0.004 0.000 2.910 81 I HA 0.855 5.025 4.170 -0.000 0.000 0.310 81 I C -2.226 173.893 176.117 0.002 0.000 1.043 81 I CA -3.332 57.969 61.300 0.002 0.000 1.053 81 I CB 1.623 39.622 38.000 -0.001 0.000 1.242 81 I HN -0.118 nan 8.210 nan 0.000 0.452 82 P HA 0.233 nan 4.420 nan 0.000 0.271 82 P C -0.205 177.095 177.300 0.000 0.000 1.216 82 P CA -0.371 62.730 63.100 0.001 0.000 0.776 82 P CB 0.741 32.441 31.700 0.001 0.000 0.881 83 K N 1.642 122.042 120.400 0.001 0.000 2.152 83 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 83 K C 1.571 178.170 176.600 -0.002 0.000 1.048 83 K CA 1.278 57.566 56.287 0.001 0.000 0.933 83 K CB 0.002 32.503 32.500 0.003 0.000 0.721 83 K HN 0.578 nan 8.250 nan 0.000 0.447 84 E N 0.829 121.028 120.200 -0.001 0.000 2.409 84 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 84 E C 1.189 177.786 176.600 -0.004 0.000 1.024 84 E CA 0.798 57.197 56.400 -0.002 0.000 0.861 84 E CB -0.034 29.666 29.700 -0.001 0.000 0.788 84 E HN 0.279 nan 8.360 nan 0.000 0.521 85 E N 1.034 121.231 120.200 -0.005 0.000 2.208 85 E HA 0.005 4.356 4.350 -0.000 0.000 0.193 85 E C 0.482 177.075 176.600 -0.013 0.000 0.988 85 E CA 0.208 56.604 56.400 -0.007 0.000 0.828 85 E CB 0.134 29.830 29.700 -0.007 0.000 0.763 85 E HN 0.086 nan 8.360 nan 0.000 0.478 86 V N 3.215 123.121 119.914 -0.014 0.000 2.479 86 V HA -0.022 4.098 4.120 -0.000 0.000 0.281 86 V C 1.352 177.431 176.094 -0.025 0.000 1.031 86 V CA 0.226 62.512 62.300 -0.023 0.000 1.038 86 V CB 0.997 32.807 31.823 -0.022 0.000 0.981 86 V HN 0.002 nan 8.190 nan 0.000 0.478 87 K N 3.089 123.468 120.400 -0.035 0.000 2.242 87 K HA 0.244 4.564 4.320 -0.000 0.000 0.200 87 K C 0.591 177.167 176.600 -0.040 0.000 1.050 87 K CA 0.498 56.767 56.287 -0.031 0.000 0.981 87 K CB 0.613 33.097 32.500 -0.028 0.000 0.795 87 K HN 0.825 nan 8.250 nan 0.000 0.477 88 E N -1.219 118.937 120.200 -0.073 0.000 2.388 88 E HA 0.530 4.880 4.350 -0.000 0.000 0.280 88 E C -2.007 174.503 176.600 -0.150 0.000 1.019 88 E CA -0.562 55.779 56.400 -0.097 0.000 0.806 88 E CB 1.939 31.562 29.700 -0.129 0.000 1.246 88 E HN 0.012 nan 8.360 nan 0.000 0.443 89 A N 2.297 125.051 122.820 -0.110 0.000 2.422 89 A HA 0.709 5.029 4.320 -0.000 0.000 0.302 89 A C -2.012 175.621 177.584 0.081 0.000 1.041 89 A CA -0.500 51.496 52.037 -0.069 0.000 0.708 89 A CB 0.926 19.927 19.000 0.002 0.000 1.257 89 A HN 0.419 nan 8.150 nan 0.000 0.414 90 Y N 1.757 122.055 120.300 -0.004 0.000 2.361 90 Y HA 0.675 5.225 4.550 0.000 0.000 0.337 90 Y C -0.123 175.772 175.900 -0.009 0.000 0.965 90 Y CA -1.847 56.248 58.100 -0.008 0.000 1.091 90 Y CB 1.963 40.414 38.460 -0.016 0.000 1.182 90 Y HN 0.525 nan 8.280 nan 0.000 0.450 91 M N 2.296 121.983 119.600 0.144 0.000 2.395 91 M HA 0.462 4.942 4.480 -0.000 0.000 0.307 91 M C 0.381 176.705 176.300 0.040 0.000 1.091 91 M CA -0.804 54.542 55.300 0.076 0.000 0.919 91 M CB 1.994 34.626 32.600 0.052 0.000 1.662 91 M HN 0.778 nan 8.290 nan 0.000 0.440 92 G N 1.960 110.777 108.800 0.028 0.000 2.467 92 G HA2 0.397 4.357 3.960 -0.000 0.000 0.257 92 G HA3 0.397 4.357 3.960 -0.000 0.000 0.257 92 G C -0.404 174.496 174.900 0.001 0.000 1.227 92 G CA -0.301 44.803 45.100 0.006 0.000 0.835 92 G HN 0.874 nan 8.290 nan 0.000 0.556 93 N N 1.457 120.150 118.700 -0.013 0.000 3.063 93 N HA 0.055 4.795 4.740 -0.000 0.000 0.242 93 N C 0.230 175.722 175.510 -0.030 0.000 1.146 93 N CA -0.684 52.355 53.050 -0.018 0.000 0.974 93 N CB 1.463 39.944 38.487 -0.010 0.000 1.584 93 N HN 0.140 nan 8.380 nan 0.000 0.636 94 V N 3.022 122.910 119.914 -0.043 0.000 2.725 94 V HA 0.131 4.251 4.120 -0.000 0.000 0.247 94 V C 0.678 176.740 176.094 -0.053 0.000 1.058 94 V CA 0.878 63.145 62.300 -0.054 0.000 1.080 94 V CB -0.050 31.727 31.823 -0.076 0.000 0.713 94 V HN 0.584 nan 8.190 nan 0.000 0.465 95 L N 0.649 121.842 121.223 -0.050 0.000 2.387 95 L HA 0.379 4.719 4.340 -0.000 0.000 0.259 95 L C 0.723 177.572 176.870 -0.035 0.000 1.050 95 L CA 0.083 54.894 54.840 -0.048 0.000 0.922 95 L CB 1.125 43.150 42.059 -0.057 0.000 1.280 95 L HN 0.153 nan 8.230 nan 0.000 0.449 96 Q N 1.313 121.095 119.800 -0.030 0.000 2.408 96 Q HA 0.125 4.465 4.340 -0.000 0.000 0.205 96 Q C 1.303 177.293 176.000 -0.017 0.000 0.919 96 Q CA -0.076 55.714 55.803 -0.021 0.000 0.932 96 Q CB 0.649 29.375 28.738 -0.019 0.000 1.058 96 Q HN 0.746 nan 8.270 nan 0.000 0.517 97 G N 0.247 109.035 108.800 -0.020 0.000 2.192 97 G HA2 0.256 4.216 3.960 -0.000 0.000 0.258 97 G HA3 0.256 4.216 3.960 -0.000 0.000 0.258 97 G C 0.876 175.769 174.900 -0.010 0.000 1.185 97 G CA 0.357 45.448 45.100 -0.015 0.000 0.976 97 G HN 0.361 nan 8.290 nan 0.000 0.446 98 G N 2.029 110.827 108.800 -0.004 0.000 2.179 98 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 98 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 98 G C 0.862 175.761 174.900 -0.001 0.000 0.977 98 G CA 0.594 45.694 45.100 0.000 0.000 0.641 98 G HN 0.700 nan 8.290 nan 0.000 0.533 99 E N 0.408 120.606 120.200 -0.004 0.000 2.482 99 E HA 0.371 4.721 4.350 -0.000 0.000 0.196 99 E C 1.581 178.181 176.600 -0.000 0.000 1.047 99 E CA 0.416 56.814 56.400 -0.003 0.000 0.869 99 E CB 0.033 29.731 29.700 -0.004 0.000 0.836 99 E HN 1.602 nan 8.360 nan 0.000 0.520 100 G N 1.662 110.462 108.800 0.000 0.000 2.756 100 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.678 100 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.678 100 G C -0.670 174.231 174.900 0.001 0.000 1.349 100 G CA -0.660 44.441 45.100 0.001 0.000 0.847 100 G HN 0.197 nan 8.290 nan 0.000 0.548 101 Q N 0.126 119.928 119.800 0.002 0.000 2.337 101 Q HA 0.465 4.805 4.340 -0.000 0.000 0.270 101 Q C 1.049 177.051 176.000 0.004 0.000 1.002 101 Q CA 0.831 56.635 55.803 0.003 0.000 0.888 101 Q CB 0.296 29.036 28.738 0.003 0.000 1.222 101 Q HN 2.472 nan 8.270 nan 0.000 0.400 102 A N 4.816 127.639 122.820 0.004 0.000 2.136 102 A HA -0.137 4.183 4.320 -0.000 0.000 0.274 102 A C -1.943 175.647 177.584 0.009 0.000 1.388 102 A CA 0.133 52.174 52.037 0.008 0.000 0.741 102 A CB -1.242 17.765 19.000 0.011 0.000 1.173 102 A HN 0.804 nan 8.150 nan 0.000 0.329 103 P HA -0.199 nan 4.420 nan 0.000 0.216 103 P C 1.808 179.117 177.300 0.015 0.000 1.157 103 P CA 2.204 65.309 63.100 0.008 0.000 0.880 103 P CB -0.077 31.626 31.700 0.004 0.000 0.791 104 T N -0.862 113.705 114.554 0.021 0.000 2.788 104 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 104 T C 1.899 176.617 174.700 0.030 0.000 1.044 104 T CA 1.542 63.661 62.100 0.033 0.000 1.139 104 T CB -0.496 68.403 68.868 0.053 0.000 0.867 104 T HN 0.025 nan 8.240 nan 0.000 0.454 105 R N 1.325 121.841 120.500 0.026 0.000 2.081 105 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 105 R C 2.426 178.736 176.300 0.017 0.000 1.131 105 R CA 1.547 57.660 56.100 0.022 0.000 0.960 105 R CB -0.465 29.847 30.300 0.019 0.000 0.856 105 R HN 0.497 nan 8.270 nan 0.000 0.436 106 Q N -0.627 119.181 119.800 0.014 0.000 2.030 106 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 106 Q C 2.155 178.163 176.000 0.012 0.000 0.986 106 Q CA 1.823 57.633 55.803 0.011 0.000 0.843 106 Q CB -0.319 28.424 28.738 0.009 0.000 0.904 106 Q HN 0.462 nan 8.270 nan 0.000 0.420 107 A N 0.471 123.299 122.820 0.015 0.000 1.892 107 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 107 A C 2.371 179.964 177.584 0.016 0.000 1.188 107 A CA 1.699 53.745 52.037 0.016 0.000 0.631 107 A CB -0.897 18.115 19.000 0.019 0.000 0.822 107 A HN 0.225 nan 8.150 nan 0.000 0.447 108 V N 0.033 119.957 119.914 0.017 0.000 2.270 108 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 108 V C 2.578 178.678 176.094 0.011 0.000 1.043 108 V CA 1.992 64.300 62.300 0.014 0.000 1.014 108 V CB -0.690 31.143 31.823 0.016 0.000 0.645 108 V HN 0.574 nan 8.190 nan 0.000 0.447 109 L N 0.271 121.501 121.223 0.011 0.000 2.141 109 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 109 L C 2.569 179.444 176.870 0.008 0.000 1.094 109 L CA 1.558 56.403 54.840 0.009 0.000 0.763 109 L CB -1.097 40.968 42.059 0.009 0.000 0.908 109 L HN 0.495 nan 8.230 nan 0.000 0.437 110 G N -0.411 108.394 108.800 0.009 0.000 2.471 110 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.219 110 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.219 110 G C 1.496 176.401 174.900 0.009 0.000 1.125 110 G CA 0.673 45.778 45.100 0.009 0.000 0.775 110 G HN 0.457 nan 8.290 nan 0.000 0.548 111 A N -0.392 122.434 122.820 0.010 0.000 2.275 111 A HA 0.495 4.815 4.320 -0.000 0.000 0.212 111 A C 1.903 179.492 177.584 0.009 0.000 1.201 111 A CA 1.131 53.174 52.037 0.011 0.000 0.843 111 A CB -0.356 18.651 19.000 0.012 0.000 0.873 111 A HN 1.489 nan 8.150 nan 0.000 0.492 112 G N -1.302 107.502 108.800 0.008 0.000 2.136 112 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 112 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 112 G C -0.075 174.829 174.900 0.006 0.000 0.989 112 G CA 0.270 45.374 45.100 0.007 0.000 0.682 112 G HN 0.346 nan 8.290 nan 0.000 0.522 113 L N 1.739 122.966 121.223 0.006 0.000 2.453 113 L HA 0.488 4.828 4.340 -0.000 0.000 0.261 113 L C -1.030 175.842 176.870 0.004 0.000 1.179 113 L CA -1.668 53.174 54.840 0.004 0.000 0.813 113 L CB 0.127 42.188 42.059 0.003 0.000 1.110 113 L HN 0.003 nan 8.230 nan 0.000 0.466 114 P HA 0.007 nan 4.420 nan 0.000 0.267 114 P C 0.765 178.067 177.300 0.004 0.000 1.200 114 P CA -0.156 62.946 63.100 0.003 0.000 0.772 114 P CB 0.354 32.055 31.700 0.001 0.000 0.855 115 I N 0.127 120.700 120.570 0.004 0.000 2.850 115 I HA -0.164 4.006 4.170 -0.000 0.000 0.266 115 I C 1.642 177.763 176.117 0.006 0.000 1.257 115 I CA 1.550 62.853 61.300 0.005 0.000 1.465 115 I CB -1.595 36.408 38.000 0.005 0.000 1.091 115 I HN 0.227 nan 8.210 nan 0.000 0.467 116 S N -0.977 114.726 115.700 0.004 0.000 2.603 116 S HA 0.106 4.576 4.470 -0.000 0.000 0.220 116 S C 0.855 175.458 174.600 0.004 0.000 0.967 116 S CA -0.145 58.057 58.200 0.004 0.000 0.920 116 S CB -1.160 62.041 63.200 0.002 0.000 0.773 116 S HN 0.458 nan 8.310 nan 0.000 0.529 117 T N 5.067 119.624 114.554 0.004 0.000 2.739 117 T HA 0.424 4.774 4.350 -0.000 0.000 0.298 117 T C -2.708 172.000 174.700 0.012 0.000 0.929 117 T CA -1.199 60.903 62.100 0.003 0.000 1.014 117 T CB 0.926 69.795 68.868 0.001 0.000 0.914 117 T HN 0.211 nan 8.240 nan 0.000 0.509 118 P HA 0.384 nan 4.420 nan 0.000 0.271 118 P C -0.804 176.529 177.300 0.056 0.000 1.216 118 P CA -0.505 62.617 63.100 0.036 0.000 0.776 118 P CB 0.443 32.168 31.700 0.042 0.000 0.881 119 C N 1.555 120.900 119.300 0.075 0.000 2.626 119 C HA 0.712 5.172 4.460 -0.000 0.000 0.310 119 C C -0.355 174.706 174.990 0.118 0.000 1.191 119 C CA -0.202 58.878 59.018 0.102 0.000 1.517 119 C CB 1.754 29.532 27.740 0.064 0.000 2.102 119 C HN 0.489 nan 8.230 nan 0.000 0.479 120 T N 1.742 116.397 114.554 0.169 0.000 2.921 120 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 120 T C -0.516 174.202 174.700 0.030 0.000 1.013 120 T CA -0.274 61.866 62.100 0.067 0.000 0.990 120 T CB 1.696 70.541 68.868 -0.038 0.000 1.023 120 T HN 0.658 nan 8.240 nan 0.000 0.447 121 T N 4.116 118.663 114.554 -0.011 0.000 2.799 121 T HA 0.548 4.898 4.350 -0.000 0.000 0.286 121 T C -0.127 174.541 174.700 -0.054 0.000 0.973 121 T CA -0.683 61.408 62.100 -0.015 0.000 1.035 121 T CB 0.385 69.249 68.868 -0.007 0.000 0.932 121 T HN 0.315 nan 8.240 nan 0.000 0.469 122 I N 3.699 124.238 120.570 -0.052 0.000 2.441 122 I HA 0.432 4.602 4.170 -0.000 0.000 0.295 122 I C 0.045 176.134 176.117 -0.047 0.000 0.994 122 I CA -0.961 60.294 61.300 -0.075 0.000 1.144 122 I CB 1.601 39.548 38.000 -0.088 0.000 1.314 122 I HN 0.553 nan 8.210 nan 0.000 0.445 123 N N 5.365 124.036 118.700 -0.048 0.000 2.617 123 N HA 0.195 4.935 4.740 -0.000 0.000 0.263 123 N C -0.547 174.943 175.510 -0.033 0.000 1.074 123 N CA -0.238 52.789 53.050 -0.038 0.000 0.841 123 N CB 1.010 39.475 38.487 -0.037 0.000 1.221 123 N HN 0.580 nan 8.380 nan 0.000 0.529 124 K N 3.994 124.379 120.400 -0.026 0.000 3.010 124 K HA 0.228 4.548 4.320 -0.000 0.000 0.211 124 K C 0.163 176.754 176.600 -0.016 0.000 1.146 124 K CA -0.408 55.870 56.287 -0.015 0.000 1.070 124 K CB -0.117 32.379 32.500 -0.006 0.000 0.908 124 K HN 0.314 nan 8.250 nan 0.000 0.463 125 V N -1.154 118.741 119.914 -0.032 0.000 0.690 125 V HA -0.553 3.567 4.120 -0.000 0.000 0.092 125 V C 1.626 177.699 176.094 -0.036 0.000 0.775 125 V CA 1.571 63.840 62.300 -0.050 0.000 3.098 125 V CB -1.564 30.218 31.823 -0.067 0.000 0.186 125 V HN 0.568 nan 8.190 nan 0.000 0.077 126 C N 0.806 120.089 119.300 -0.028 0.000 2.419 126 C HA 0.165 4.625 4.460 -0.000 0.000 0.283 126 C C 2.609 177.639 174.990 0.068 0.000 1.373 126 C CA 1.062 60.099 59.018 0.032 0.000 1.781 126 C CB -1.838 25.960 27.740 0.098 0.000 1.886 126 C HN 1.035 nan 8.230 nan 0.000 0.520 127 A N 0.004 122.849 122.820 0.041 0.000 2.251 127 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 127 A C 2.047 179.646 177.584 0.025 0.000 1.187 127 A CA 0.961 53.025 52.037 0.044 0.000 0.823 127 A CB -0.348 18.679 19.000 0.045 0.000 0.846 127 A HN 0.517 nan 8.150 nan 0.000 0.486 128 S N 0.273 115.980 115.700 0.012 0.000 2.365 128 S HA -0.167 4.303 4.470 -0.000 0.000 0.225 128 S C 2.075 176.679 174.600 0.006 0.000 1.039 128 S CA 1.540 59.739 58.200 -0.001 0.000 1.033 128 S CB -0.604 62.589 63.200 -0.012 0.000 0.887 128 S HN 0.757 nan 8.310 nan 0.000 0.447 129 G N 0.945 109.758 108.800 0.021 0.000 2.422 129 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.218 129 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.218 129 G C 1.373 176.283 174.900 0.018 0.000 1.146 129 G CA 0.912 46.028 45.100 0.026 0.000 0.769 129 G HN 0.455 nan 8.290 nan 0.000 0.547 130 M N -0.277 119.333 119.600 0.016 0.000 2.123 130 M HA 0.122 4.602 4.480 -0.000 0.000 0.263 130 M C 2.493 178.766 176.300 -0.045 0.000 1.069 130 M CA 1.635 56.932 55.300 -0.004 0.000 1.133 130 M CB 0.019 32.629 32.600 0.017 0.000 1.356 130 M HN 0.142 nan 8.290 nan 0.000 0.415 131 K N 0.967 121.348 120.400 -0.032 0.000 2.103 131 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 131 K C 1.694 178.256 176.600 -0.063 0.000 1.048 131 K CA 1.912 58.165 56.287 -0.056 0.000 0.930 131 K CB -0.702 31.779 32.500 -0.031 0.000 0.716 131 K HN 0.446 nan 8.250 nan 0.000 0.444 132 A N 0.527 123.335 122.820 -0.021 0.000 1.908 132 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 132 A C 2.273 179.899 177.584 0.071 0.000 1.181 132 A CA 1.834 53.900 52.037 0.048 0.000 0.627 132 A CB -0.654 18.390 19.000 0.074 0.000 0.818 132 A HN 0.348 nan 8.150 nan 0.000 0.445 133 I N -0.877 119.680 120.570 -0.021 0.000 2.252 133 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 133 I C 2.717 178.707 176.117 -0.213 0.000 1.102 133 I CA 1.517 62.772 61.300 -0.075 0.000 1.385 133 I CB -0.344 37.612 38.000 -0.073 0.000 1.064 133 I HN 0.337 nan 8.210 nan 0.000 0.414 134 M N -0.272 119.103 119.600 -0.376 0.000 2.080 134 M HA -0.263 4.217 4.480 -0.000 0.000 0.260 134 M C 2.410 178.427 176.300 -0.472 0.000 1.068 134 M CA 2.092 56.879 55.300 -0.855 0.000 1.109 134 M CB -0.407 31.747 32.600 -0.743 0.000 1.342 134 M HN 0.199 nan 8.290 nan 0.000 0.405 135 M N -0.464 119.056 119.600 -0.133 0.000 2.200 135 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 135 M C 2.467 178.922 176.300 0.258 0.000 1.066 135 M CA 1.455 56.797 55.300 0.070 0.000 1.127 135 M CB -0.558 32.057 32.600 0.024 0.000 1.379 135 M HN 0.358 nan 8.290 nan 0.000 0.420 136 A N -0.039 122.933 122.820 0.253 0.000 1.902 136 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 136 A C 2.308 179.891 177.584 -0.002 0.000 1.181 136 A CA 2.107 54.157 52.037 0.022 0.000 0.623 136 A CB -0.833 18.093 19.000 -0.123 0.000 0.818 136 A HN 0.428 nan 8.150 nan 0.000 0.443 137 S N -0.204 115.484 115.700 -0.020 0.000 2.370 137 S HA -0.242 4.228 4.470 -0.000 0.000 0.226 137 S C 2.086 176.766 174.600 0.135 0.000 1.033 137 S CA 1.714 59.941 58.200 0.046 0.000 1.011 137 S CB -0.368 62.859 63.200 0.045 0.000 0.852 137 S HN 0.717 nan 8.310 nan 0.000 0.457 138 Q N 0.489 120.387 119.800 0.163 0.000 2.124 138 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 138 Q C 2.459 178.501 176.000 0.070 0.000 0.977 138 Q CA 1.474 57.377 55.803 0.167 0.000 0.850 138 Q CB -0.288 28.562 28.738 0.188 0.000 0.901 138 Q HN 0.503 nan 8.270 nan 0.000 0.429 139 S N 0.413 116.163 115.700 0.083 0.000 2.368 139 S HA -0.091 4.379 4.470 -0.000 0.000 0.224 139 S C 1.893 176.483 174.600 -0.017 0.000 1.029 139 S CA 0.745 58.980 58.200 0.057 0.000 0.988 139 S CB -0.133 63.131 63.200 0.106 0.000 0.838 139 S HN 0.290 nan 8.310 nan 0.000 0.462 140 L N 0.620 121.840 121.223 -0.005 0.000 2.046 140 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 140 L C 2.791 179.645 176.870 -0.027 0.000 1.077 140 L CA 1.538 56.370 54.840 -0.013 0.000 0.747 140 L CB -0.514 41.542 42.059 -0.004 0.000 0.896 140 L HN 0.376 nan 8.230 nan 0.000 0.432 141 M N -1.151 118.442 119.600 -0.012 0.000 2.108 141 M HA -0.267 4.213 4.480 -0.000 0.000 0.261 141 M C 2.329 178.578 176.300 -0.085 0.000 1.066 141 M CA 1.561 56.848 55.300 -0.022 0.000 1.107 141 M CB -0.589 32.021 32.600 0.017 0.000 1.356 141 M HN 0.371 nan 8.290 nan 0.000 0.406 142 C N 0.205 119.394 119.300 -0.184 0.000 2.472 142 C HA 0.089 4.549 4.460 -0.000 0.000 0.278 142 C C 1.786 176.585 174.990 -0.318 0.000 1.447 142 C CA 0.731 59.523 59.018 -0.376 0.000 1.773 142 C CB -1.660 25.554 27.740 -0.877 0.000 1.793 142 C HN 0.879 nan 8.230 nan 0.000 0.544 143 G N -0.294 108.413 108.800 -0.155 0.000 2.153 143 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 143 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 143 G C 0.333 175.281 174.900 0.080 0.000 0.994 143 G CA 0.746 45.830 45.100 -0.028 0.000 0.698 143 G HN 0.748 nan 8.290 nan 0.000 0.521 144 H N -0.822 118.257 119.070 0.015 0.000 2.470 144 H HA 0.134 4.690 4.556 -0.000 0.000 0.289 144 H C 1.290 176.618 175.328 0.001 0.000 1.033 144 H CA 1.081 57.137 56.048 0.013 0.000 1.331 144 H CB 0.276 30.053 29.762 0.026 0.000 1.414 144 H HN 0.388 nan 8.280 nan 0.000 0.545 145 Q N 0.168 120.030 119.800 0.103 0.000 2.495 145 Q HA 0.065 4.405 4.340 -0.000 0.000 0.287 145 Q C -0.302 175.706 176.000 0.012 0.000 1.078 145 Q CA -0.317 55.506 55.803 0.035 0.000 0.793 145 Q CB 2.077 30.812 28.738 -0.006 0.000 1.459 145 Q HN 0.347 nan 8.270 nan 0.000 0.422 146 D N -1.435 118.964 120.400 -0.001 0.000 2.454 146 D HA 0.132 4.772 4.640 -0.000 0.000 0.219 146 D C 0.128 176.419 176.300 -0.017 0.000 1.081 146 D CA 0.268 54.265 54.000 -0.006 0.000 0.867 146 D CB 0.866 41.666 40.800 -0.001 0.000 1.054 146 D HN 0.129 nan 8.370 nan 0.000 0.500 147 V N 1.012 120.910 119.914 -0.025 0.000 2.623 147 V HA 0.512 4.632 4.120 -0.000 0.000 0.304 147 V C -0.605 175.455 176.094 -0.056 0.000 1.054 147 V CA -0.558 61.721 62.300 -0.034 0.000 0.882 147 V CB 1.927 33.736 31.823 -0.025 0.000 1.002 147 V HN 0.068 nan 8.190 nan 0.000 0.424 148 M N 3.560 123.116 119.600 -0.072 0.000 2.593 148 M HA 0.670 5.150 4.480 -0.000 0.000 0.290 148 M C -1.346 174.900 176.300 -0.089 0.000 1.244 148 M CA -0.896 54.337 55.300 -0.113 0.000 0.857 148 M CB 2.810 35.295 32.600 -0.192 0.000 1.738 148 M HN 0.352 nan 8.290 nan 0.000 0.461 149 V N 1.491 121.350 119.914 -0.091 0.000 2.435 149 V HA 0.877 4.997 4.120 -0.000 0.000 0.290 149 V C -0.416 175.642 176.094 -0.060 0.000 1.030 149 V CA -0.542 61.725 62.300 -0.055 0.000 0.881 149 V CB 1.348 33.155 31.823 -0.026 0.000 0.983 149 V HN 0.910 nan 8.190 nan 0.000 0.445 150 A N 3.198 126.002 122.820 -0.026 0.000 2.449 150 A HA 1.025 5.345 4.320 -0.000 0.000 0.302 150 A C 0.036 177.635 177.584 0.025 0.000 1.048 150 A CA 0.165 52.208 52.037 0.010 0.000 0.708 150 A CB 2.067 21.067 19.000 0.001 0.000 1.274 150 A HN 1.323 nan 8.150 nan 0.000 0.410 151 G N -0.286 108.540 108.800 0.044 0.000 2.512 151 G HA2 0.749 4.709 3.960 -0.000 0.000 0.186 151 G HA3 0.749 4.709 3.960 -0.000 0.000 0.186 151 G C -0.257 174.667 174.900 0.041 0.000 1.189 151 G CA 0.404 45.527 45.100 0.039 0.000 0.994 151 G HN 1.956 nan 8.290 nan 0.000 0.506 152 G N -0.653 108.169 108.800 0.037 0.000 2.677 152 G HA2 0.741 4.701 3.960 -0.000 0.000 0.291 152 G HA3 0.741 4.701 3.960 -0.000 0.000 0.291 152 G C -0.829 174.087 174.900 0.027 0.000 1.435 152 G CA 0.018 45.136 45.100 0.030 0.000 0.826 152 G HN 1.504 nan 8.290 nan 0.000 0.491 153 M N -0.378 119.233 119.600 0.017 0.000 2.471 153 M HA 0.896 5.376 4.480 -0.000 0.000 0.284 153 M C -1.918 174.383 176.300 0.002 0.000 1.203 153 M CA -0.937 54.371 55.300 0.014 0.000 0.915 153 M CB 2.740 35.349 32.600 0.015 0.000 1.734 153 M HN 0.478 nan 8.290 nan 0.000 0.485 154 E N 0.846 121.047 120.200 0.002 0.000 2.347 154 E HA 0.459 4.809 4.350 -0.000 0.000 0.285 154 E C -1.934 174.669 176.600 0.004 0.000 0.925 154 E CA -0.121 56.274 56.400 -0.009 0.000 0.779 154 E CB 2.452 32.133 29.700 -0.031 0.000 1.233 154 E HN 0.714 nan 8.360 nan 0.000 0.414 155 S N 5.127 120.830 115.700 0.006 0.000 2.406 155 S HA 0.274 4.744 4.470 -0.000 0.000 0.224 155 S C 0.698 175.321 174.600 0.038 0.000 1.426 155 S CA -0.380 57.831 58.200 0.019 0.000 1.179 155 S CB 0.047 63.250 63.200 0.006 0.000 1.042 155 S HN 0.693 nan 8.310 nan 0.000 0.479 156 M N 1.719 121.367 119.600 0.080 0.000 2.374 156 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 156 M C 2.179 178.656 176.300 0.294 0.000 1.067 156 M CA 0.909 56.299 55.300 0.150 0.000 1.103 156 M CB -0.387 32.285 32.600 0.120 0.000 1.402 156 M HN 0.512 nan 8.290 nan 0.000 0.444 157 S N 0.894 116.686 115.700 0.154 0.000 2.400 157 S HA -0.072 4.398 4.470 -0.000 0.000 0.232 157 S C 1.439 175.986 174.600 -0.088 0.000 1.025 157 S CA 1.078 59.196 58.200 -0.137 0.000 0.993 157 S CB -0.273 62.817 63.200 -0.184 0.000 0.808 157 S HN 0.505 nan 8.310 nan 0.000 0.478 158 N N 0.988 119.676 118.700 -0.020 0.000 2.230 158 N HA 0.142 4.882 4.740 -0.000 0.000 0.202 158 N C -0.456 175.046 175.510 -0.014 0.000 1.119 158 N CA 0.080 53.116 53.050 -0.023 0.000 0.851 158 N CB 0.513 38.989 38.487 -0.019 0.000 0.990 158 N HN 0.153 nan 8.380 nan 0.000 0.497 159 V N 4.182 124.093 119.914 -0.005 0.000 2.521 159 V HA 0.121 4.241 4.120 -0.000 0.000 0.286 159 V C -1.494 174.542 176.094 -0.097 0.000 1.034 159 V CA -0.726 61.550 62.300 -0.040 0.000 1.045 159 V CB 0.860 32.658 31.823 -0.041 0.000 0.974 159 V HN 0.132 nan 8.190 nan 0.000 0.480 160 P HA 0.396 nan 4.420 nan 0.000 0.301 160 P C -1.269 175.915 177.300 -0.192 0.000 1.309 160 P CA -0.655 62.396 63.100 -0.081 0.000 0.782 160 P CB 0.872 32.581 31.700 0.016 0.000 1.282 161 Y N -1.188 119.124 120.300 0.021 0.000 2.354 161 Y HA 0.431 4.981 4.550 0.000 0.000 0.322 161 Y C 0.730 176.636 175.900 0.009 0.000 1.253 161 Y CA -0.381 57.729 58.100 0.017 0.000 1.272 161 Y CB 1.250 39.720 38.460 0.018 0.000 1.255 161 Y HN 0.104 nan 8.280 nan 0.000 0.500 162 V N 0.592 120.601 119.914 0.158 0.000 2.769 162 V HA 0.623 4.743 4.120 -0.000 0.000 0.312 162 V C -0.707 175.431 176.094 0.074 0.000 1.061 162 V CA -1.172 61.180 62.300 0.087 0.000 0.931 162 V CB 1.941 33.789 31.823 0.043 0.000 1.010 162 V HN 0.857 nan 8.190 nan 0.000 0.433 163 M N 3.482 123.112 119.600 0.049 0.000 2.311 163 M HA 0.515 4.995 4.480 -0.000 0.000 0.325 163 M C -0.367 175.947 176.300 0.023 0.000 1.061 163 M CA -0.363 54.956 55.300 0.032 0.000 0.957 163 M CB 1.364 33.978 32.600 0.024 0.000 1.646 163 M HN 0.940 nan 8.290 nan 0.000 0.434 164 N N 3.226 121.937 118.700 0.018 0.000 2.492 164 N HA 0.085 4.825 4.740 -0.000 0.000 0.260 164 N C -0.527 174.990 175.510 0.012 0.000 1.215 164 N CA -0.114 52.944 53.050 0.013 0.000 0.923 164 N CB 0.735 39.229 38.487 0.012 0.000 1.092 164 N HN 0.538 nan 8.380 nan 0.000 0.448 165 R N 1.299 121.805 120.500 0.010 0.000 2.543 165 R HA 0.323 4.663 4.340 -0.000 0.000 0.277 165 R C 0.411 176.716 176.300 0.009 0.000 1.074 165 R CA 0.483 56.589 56.100 0.009 0.000 1.076 165 R CB 0.131 30.436 30.300 0.008 0.000 0.993 165 R HN 0.797 nan 8.270 nan 0.000 0.459 166 G N 1.278 110.084 108.800 0.010 0.000 2.293 166 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.282 166 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.282 166 G C -1.325 173.583 174.900 0.013 0.000 1.299 166 G CA -0.719 44.388 45.100 0.011 0.000 1.018 166 G HN 0.563 nan 8.290 nan 0.000 0.478 167 S N 1.018 116.727 115.700 0.015 0.000 2.505 167 S HA 0.512 4.982 4.470 -0.000 0.000 0.276 167 S C 0.923 175.536 174.600 0.022 0.000 1.274 167 S CA 0.481 58.693 58.200 0.019 0.000 1.053 167 S CB 0.693 63.906 63.200 0.022 0.000 0.919 167 S HN 1.444 nan 8.310 nan 0.000 0.490 168 T N 2.914 117.482 114.554 0.022 0.000 2.829 168 T HA 0.288 4.638 4.350 -0.000 0.000 0.293 168 T C -2.510 172.212 174.700 0.036 0.000 0.970 168 T CA -1.378 60.734 62.100 0.021 0.000 1.168 168 T CB -0.304 68.573 68.868 0.015 0.000 0.911 168 T HN 0.227 nan 8.240 nan 0.000 0.535 169 P HA 0.177 nan 4.420 nan 0.000 0.275 169 P C -0.511 176.833 177.300 0.073 0.000 1.227 169 P CA -0.761 62.374 63.100 0.059 0.000 0.781 169 P CB 0.218 31.942 31.700 0.041 0.000 0.906 170 Y N 2.105 122.406 120.300 0.002 0.000 2.811 170 Y HA 0.232 4.782 4.550 0.000 0.000 0.334 170 Y C 1.679 177.580 175.900 0.002 0.000 1.247 170 Y CA 2.053 60.154 58.100 0.001 0.000 1.526 170 Y CB -0.090 38.371 38.460 0.001 0.000 1.284 170 Y HN 0.831 nan 8.280 nan 0.000 0.586 171 G N 2.070 110.406 108.800 -0.774 0.000 2.195 171 G HA2 0.096 4.056 3.960 -0.000 0.000 0.246 171 G HA3 0.096 4.056 3.960 -0.000 0.000 0.246 171 G C 0.286 175.040 174.900 -0.243 0.000 0.984 171 G CA -0.060 44.720 45.100 -0.533 0.000 0.633 171 G HN 2.081 nan 8.290 nan 0.000 0.525 172 G N -2.369 106.329 108.800 -0.170 0.000 2.312 172 G HA2 0.509 4.469 3.960 -0.000 0.000 0.347 172 G HA3 0.509 4.469 3.960 -0.000 0.000 0.347 172 G C -1.244 173.625 174.900 -0.053 0.000 1.564 172 G CA 0.151 45.193 45.100 -0.097 0.000 0.981 172 G HN 1.369 nan 8.290 nan 0.000 0.678 173 V N 2.102 121.992 119.914 -0.039 0.000 2.483 173 V HA 0.585 4.705 4.120 -0.000 0.000 0.297 173 V C 0.348 176.433 176.094 -0.015 0.000 1.027 173 V CA -0.903 61.385 62.300 -0.020 0.000 0.855 173 V CB 1.804 33.617 31.823 -0.016 0.000 0.995 173 V HN 0.987 nan 8.190 nan 0.000 0.424 174 K N 5.519 125.917 120.400 -0.003 0.000 2.205 174 K HA 0.528 4.848 4.320 -0.000 0.000 0.279 174 K C -1.216 175.394 176.600 0.017 0.000 1.027 174 K CA -0.576 55.715 56.287 0.005 0.000 0.932 174 K CB 1.765 34.273 32.500 0.013 0.000 1.032 174 K HN 0.417 nan 8.250 nan 0.000 0.466 175 L N 3.727 124.962 121.223 0.020 0.000 2.277 175 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 175 L C -0.123 176.821 176.870 0.123 0.000 1.028 175 L CA -0.271 54.599 54.840 0.050 0.000 0.835 175 L CB 1.190 43.241 42.059 -0.014 0.000 1.215 175 L HN 0.826 nan 8.230 nan 0.000 0.425 176 E N 1.896 122.179 120.200 0.138 0.000 2.313 176 E HA 0.106 4.456 4.350 -0.000 0.000 0.272 176 E C -0.622 176.094 176.600 0.193 0.000 1.038 176 E CA -0.579 55.907 56.400 0.143 0.000 0.863 176 E CB 1.760 31.501 29.700 0.068 0.000 1.060 176 E HN 0.331 nan 8.360 nan 0.000 0.402 177 D N 2.981 123.464 120.400 0.139 0.000 2.316 177 D HA 0.054 4.694 4.640 -0.000 0.000 0.245 177 D C 0.783 177.025 176.300 -0.096 0.000 1.171 177 D CA 0.015 53.974 54.000 -0.069 0.000 0.856 177 D CB 0.963 41.744 40.800 -0.031 0.000 1.090 177 D HN 0.442 nan 8.370 nan 0.000 0.476 178 L N 4.155 125.291 121.223 -0.145 0.000 2.201 178 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 178 L C 2.286 179.094 176.870 -0.103 0.000 1.105 178 L CA 0.435 55.217 54.840 -0.097 0.000 0.775 178 L CB -0.134 41.874 42.059 -0.085 0.000 0.913 178 L HN 0.552 nan 8.230 nan 0.000 0.440 179 I N -0.707 119.789 120.570 -0.123 0.000 2.118 179 I HA -0.314 3.856 4.170 -0.000 0.000 0.241 179 I C 2.445 178.498 176.117 -0.108 0.000 1.070 179 I CA 1.402 62.634 61.300 -0.114 0.000 1.327 179 I CB -0.365 37.562 38.000 -0.122 0.000 1.034 179 I HN 0.036 nan 8.210 nan 0.000 0.405 180 V N 0.742 120.608 119.914 -0.079 0.000 2.270 180 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 180 V C 2.509 178.555 176.094 -0.079 0.000 1.043 180 V CA 1.954 64.219 62.300 -0.059 0.000 1.014 180 V CB -0.688 31.140 31.823 0.009 0.000 0.645 180 V HN 0.392 nan 8.190 nan 0.000 0.447 181 K N -0.429 119.935 120.400 -0.060 0.000 2.057 181 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 181 K C 1.635 178.184 176.600 -0.084 0.000 1.050 181 K CA 1.992 58.243 56.287 -0.060 0.000 0.935 181 K CB -0.064 32.414 32.500 -0.037 0.000 0.715 181 K HN 0.439 nan 8.250 nan 0.000 0.439 182 D N -1.519 118.829 120.400 -0.088 0.000 2.379 182 D HA 0.047 4.687 4.640 -0.000 0.000 0.218 182 D C 1.588 177.820 176.300 -0.113 0.000 1.006 182 D CA 0.772 54.716 54.000 -0.093 0.000 0.893 182 D CB 0.217 40.972 40.800 -0.075 0.000 1.019 182 D HN 0.362 nan 8.370 nan 0.000 0.503 183 G N 0.125 108.849 108.800 -0.127 0.000 2.408 183 G HA2 0.013 3.973 3.960 -0.000 0.000 0.213 183 G HA3 0.013 3.973 3.960 -0.000 0.000 0.213 183 G C 1.350 176.133 174.900 -0.195 0.000 1.177 183 G CA 0.192 45.202 45.100 -0.151 0.000 0.802 183 G HN 0.221 nan 8.290 nan 0.000 0.533 184 L N 0.293 121.378 121.223 -0.231 0.000 2.920 184 L HA 0.262 4.602 4.340 -0.000 0.000 0.257 184 L C 0.107 176.726 176.870 -0.418 0.000 1.150 184 L CA 0.063 54.678 54.840 -0.374 0.000 0.959 184 L CB 0.937 42.697 42.059 -0.499 0.000 1.321 184 L HN -0.062 nan 8.230 nan 0.000 0.555 185 T N 0.235 114.636 114.554 -0.255 0.000 2.749 185 T HA 0.157 4.507 4.350 -0.000 0.000 0.287 185 T C -0.510 174.100 174.700 -0.150 0.000 0.970 185 T CA -0.304 61.691 62.100 -0.175 0.000 0.980 185 T CB 1.728 70.531 68.868 -0.108 0.000 0.924 185 T HN -0.015 nan 8.240 nan 0.000 0.456 186 D N 2.660 122.998 120.400 -0.104 0.000 2.383 186 D HA 0.135 4.775 4.640 -0.000 0.000 0.252 186 D C 1.256 177.460 176.300 -0.161 0.000 1.166 186 D CA -0.253 53.698 54.000 -0.081 0.000 0.879 186 D CB 0.863 41.688 40.800 0.042 0.000 1.164 186 D HN 0.157 nan 8.370 nan 0.000 0.462 187 V N 4.095 123.781 119.914 -0.381 0.000 2.287 187 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 187 V C 1.357 177.167 176.094 -0.473 0.000 1.053 187 V CA 1.678 63.642 62.300 -0.560 0.000 1.027 187 V CB -0.919 30.340 31.823 -0.941 0.000 0.646 187 V HN 0.680 nan 8.190 nan 0.000 0.447 188 Y N 0.130 120.434 120.300 0.006 0.000 2.206 188 Y HA 0.013 4.563 4.550 -0.000 0.000 0.292 188 Y C 2.426 178.335 175.900 0.016 0.000 1.123 188 Y CA 1.016 59.123 58.100 0.011 0.000 1.142 188 Y CB -0.616 37.851 38.460 0.013 0.000 1.006 188 Y HN 0.228 nan 8.280 nan 0.000 0.518 189 N N 0.421 119.212 118.700 0.151 0.000 2.424 189 N HA -0.050 4.690 4.740 -0.000 0.000 0.178 189 N C -0.007 175.536 175.510 0.055 0.000 1.060 189 N CA 0.570 53.681 53.050 0.101 0.000 0.901 189 N CB 0.035 38.588 38.487 0.110 0.000 0.979 189 N HN 0.289 nan 8.380 nan 0.000 0.451 190 K N 0.669 121.080 120.400 0.018 0.000 3.071 190 K HA -0.169 4.152 4.320 -0.000 0.000 0.265 190 K C -0.256 176.364 176.600 0.033 0.000 1.060 190 K CA 0.575 56.864 56.287 0.004 0.000 0.767 190 K CB -2.011 30.493 32.500 0.008 0.000 1.241 190 K HN 0.456 nan 8.250 nan 0.000 0.486 191 I N -4.323 116.275 120.570 0.048 0.000 2.969 191 I HA 0.424 4.594 4.170 -0.000 0.000 0.307 191 I C 0.619 176.797 176.117 0.102 0.000 1.149 191 I CA -1.347 60.007 61.300 0.090 0.000 1.008 191 I CB 1.611 39.670 38.000 0.097 0.000 1.232 191 I HN -0.052 nan 8.210 nan 0.000 0.435 192 H N 3.953 123.060 119.070 0.062 0.000 2.929 192 H HA 0.126 4.682 4.556 -0.000 0.000 0.358 192 H C 0.836 176.149 175.328 -0.026 0.000 1.111 192 H CA 0.423 56.494 56.048 0.039 0.000 1.409 192 H CB 1.231 31.071 29.762 0.130 0.000 1.373 192 H HN 0.695 nan 8.280 nan 0.000 0.610 193 M N 3.207 122.801 119.600 -0.011 0.000 2.108 193 M HA -0.157 4.323 4.480 -0.000 0.000 0.257 193 M C 2.340 178.672 176.300 0.054 0.000 1.071 193 M CA 1.754 57.140 55.300 0.144 0.000 1.093 193 M CB -1.511 31.173 32.600 0.140 0.000 1.345 193 M HN 0.776 nan 8.290 nan 0.000 0.403 194 G N -0.737 107.934 108.800 -0.216 0.000 2.432 194 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 194 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 194 G C 1.715 176.232 174.900 -0.638 0.000 1.135 194 G CA 1.127 45.517 45.100 -1.183 0.000 0.767 194 G HN 0.486 nan 8.290 nan 0.000 0.550 195 S N -0.502 115.055 115.700 -0.238 0.000 2.406 195 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 195 S C 2.404 176.973 174.600 -0.051 0.000 1.020 195 S CA 0.917 59.102 58.200 -0.027 0.000 0.965 195 S CB -0.273 62.987 63.200 0.101 0.000 0.798 195 S HN 0.544 nan 8.310 nan 0.000 0.488 196 C N 1.846 121.134 119.300 -0.021 0.000 2.440 196 C HA 0.074 4.534 4.460 -0.000 0.000 0.278 196 C C 3.018 177.872 174.990 -0.227 0.000 1.295 196 C CA 0.348 59.357 59.018 -0.015 0.000 1.738 196 C CB -1.506 26.393 27.740 0.266 0.000 1.987 196 C HN 0.664 nan 8.230 nan 0.000 0.492 197 A N 0.847 123.445 122.820 -0.370 0.000 1.940 197 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 197 A C 2.098 179.488 177.584 -0.322 0.000 1.176 197 A CA 1.649 53.371 52.037 -0.524 0.000 0.631 197 A CB -0.461 17.989 19.000 -0.916 0.000 0.814 197 A HN 0.598 nan 8.150 nan 0.000 0.446 198 E N 0.150 120.212 120.200 -0.231 0.000 2.097 198 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 198 E C 1.854 178.391 176.600 -0.105 0.000 1.000 198 E CA 1.078 57.405 56.400 -0.122 0.000 0.804 198 E CB -0.584 29.084 29.700 -0.052 0.000 0.740 198 E HN 0.711 nan 8.360 nan 0.000 0.454 199 N N 0.314 118.948 118.700 -0.109 0.000 2.137 199 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 199 N C 1.562 177.009 175.510 -0.105 0.000 1.017 199 N CA 1.640 54.636 53.050 -0.090 0.000 0.859 199 N CB 0.098 38.538 38.487 -0.080 0.000 1.002 199 N HN 0.105 nan 8.380 nan 0.000 0.428 200 T N 0.393 114.855 114.554 -0.154 0.000 2.896 200 T HA 0.107 4.457 4.350 -0.000 0.000 0.263 200 T C 1.934 176.565 174.700 -0.115 0.000 1.050 200 T CA 0.863 62.875 62.100 -0.146 0.000 1.140 200 T CB -0.220 68.523 68.868 -0.208 0.000 0.877 200 T HN 0.368 nan 8.240 nan 0.000 0.457 201 A N 1.983 124.733 122.820 -0.117 0.000 1.908 201 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 201 A C 2.179 179.727 177.584 -0.060 0.000 1.181 201 A CA 2.123 54.110 52.037 -0.083 0.000 0.627 201 A CB -0.569 18.387 19.000 -0.074 0.000 0.818 201 A HN 0.493 nan 8.150 nan 0.000 0.445 202 K N -0.198 120.168 120.400 -0.057 0.000 1.978 202 K HA -0.206 4.114 4.320 -0.000 0.000 0.214 202 K C 2.097 178.672 176.600 -0.041 0.000 1.049 202 K CA 1.958 58.220 56.287 -0.042 0.000 0.939 202 K CB -0.257 32.220 32.500 -0.038 0.000 0.721 202 K HN 0.412 nan 8.250 nan 0.000 0.441 203 K N 0.196 120.567 120.400 -0.048 0.000 2.097 203 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 203 K C 1.827 178.402 176.600 -0.042 0.000 1.049 203 K CA 1.288 57.550 56.287 -0.042 0.000 0.933 203 K CB -0.001 32.472 32.500 -0.045 0.000 0.717 203 K HN 0.254 nan 8.250 nan 0.000 0.442 204 L N 0.549 121.740 121.223 -0.052 0.000 2.628 204 L HA 0.100 4.440 4.340 -0.000 0.000 0.229 204 L C -0.600 176.242 176.870 -0.047 0.000 1.137 204 L CA -0.259 54.550 54.840 -0.052 0.000 0.909 204 L CB -0.367 41.652 42.059 -0.067 0.000 1.137 204 L HN 0.205 nan 8.230 nan 0.000 0.470 205 N N 1.347 120.023 118.700 -0.040 0.000 2.667 205 N HA -0.195 4.545 4.740 -0.000 0.000 0.263 205 N C -0.789 174.701 175.510 -0.034 0.000 1.038 205 N CA 0.684 53.714 53.050 -0.033 0.000 0.749 205 N CB -1.139 37.332 38.487 -0.026 0.000 0.892 205 N HN 0.303 nan 8.380 nan 0.000 0.546 206 I N 0.063 120.610 120.570 -0.039 0.000 2.328 206 I HA 0.503 4.673 4.170 -0.000 0.000 0.287 206 I C 0.846 176.950 176.117 -0.022 0.000 1.012 206 I CA -0.722 60.556 61.300 -0.036 0.000 1.195 206 I CB 1.198 39.166 38.000 -0.053 0.000 1.350 206 I HN 0.309 nan 8.210 nan 0.000 0.464 207 A N 5.246 128.060 122.820 -0.010 0.000 2.257 207 A HA 0.417 4.737 4.320 -0.000 0.000 0.289 207 A C 1.389 178.980 177.584 0.013 0.000 1.095 207 A CA -0.417 51.620 52.037 -0.000 0.000 0.836 207 A CB 0.579 19.580 19.000 0.001 0.000 1.111 207 A HN 0.846 nan 8.150 nan 0.000 0.497 208 R N 0.994 121.506 120.500 0.019 0.000 2.113 208 R HA -0.226 4.114 4.340 -0.000 0.000 0.244 208 R C 1.767 178.090 176.300 0.038 0.000 1.142 208 R CA 2.906 59.026 56.100 0.033 0.000 0.953 208 R CB -0.589 29.730 30.300 0.031 0.000 0.860 208 R HN 0.913 nan 8.270 nan 0.000 0.438 209 N N 0.212 118.929 118.700 0.028 0.000 2.188 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.184 209 N C 1.671 177.201 175.510 0.033 0.000 1.018 209 N CA 1.803 54.869 53.050 0.026 0.000 0.858 209 N CB -0.538 37.959 38.487 0.017 0.000 0.989 209 N HN 0.587 nan 8.380 nan 0.000 0.426 210 E N 0.847 121.066 120.200 0.032 0.000 2.051 210 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 210 E C 2.034 178.683 176.600 0.080 0.000 0.991 210 E CA 1.064 57.490 56.400 0.043 0.000 0.799 210 E CB 0.042 29.755 29.700 0.023 0.000 0.748 210 E HN 0.481 nan 8.360 nan 0.000 0.449 211 Q N 0.224 120.069 119.800 0.075 0.000 2.061 211 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 211 Q C 1.916 178.007 176.000 0.152 0.000 0.984 211 Q CA 1.579 57.450 55.803 0.114 0.000 0.846 211 Q CB -0.129 28.664 28.738 0.092 0.000 0.902 211 Q HN 0.308 nan 8.270 nan 0.000 0.421 212 D N 0.418 120.880 120.400 0.103 0.000 2.117 212 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 212 D C 1.805 178.133 176.300 0.047 0.000 0.987 212 D CA 1.296 55.345 54.000 0.082 0.000 0.829 212 D CB -0.215 40.615 40.800 0.050 0.000 0.961 212 D HN 0.263 nan 8.370 nan 0.000 0.460 213 A N 0.084 122.931 122.820 0.044 0.000 1.877 213 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 213 A C 2.223 179.817 177.584 0.017 0.000 1.186 213 A CA 1.395 53.438 52.037 0.009 0.000 0.620 213 A CB -1.178 17.837 19.000 0.025 0.000 0.822 213 A HN 0.329 nan 8.150 nan 0.000 0.443 214 Y N 0.620 120.917 120.300 -0.005 0.000 2.097 214 Y HA -0.186 4.364 4.550 -0.000 0.000 0.282 214 Y C 2.735 178.648 175.900 0.021 0.000 1.152 214 Y CA 1.616 59.719 58.100 0.005 0.000 1.136 214 Y CB -0.588 37.879 38.460 0.012 0.000 0.975 214 Y HN 0.330 nan 8.280 nan 0.000 0.498 215 A N 0.326 123.223 122.820 0.127 0.000 1.892 215 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 215 A C 2.292 179.951 177.584 0.125 0.000 1.188 215 A CA 2.276 54.397 52.037 0.140 0.000 0.631 215 A CB -1.269 17.884 19.000 0.255 0.000 0.822 215 A HN 0.585 nan 8.150 nan 0.000 0.447 216 I N -0.016 120.535 120.570 -0.031 0.000 2.226 216 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 216 I C 2.418 178.415 176.117 -0.199 0.000 1.100 216 I CA 1.704 62.825 61.300 -0.298 0.000 1.374 216 I CB -0.460 37.169 38.000 -0.619 0.000 1.057 216 I HN 0.561 nan 8.210 nan 0.000 0.413 217 N N 0.267 118.839 118.700 -0.213 0.000 2.104 217 N HA -0.252 4.488 4.740 -0.000 0.000 0.190 217 N C 1.916 177.288 175.510 -0.231 0.000 1.024 217 N CA 2.047 54.960 53.050 -0.227 0.000 0.853 217 N CB -0.198 38.109 38.487 -0.299 0.000 1.008 217 N HN 0.221 nan 8.380 nan 0.000 0.424 218 S N -1.373 114.126 115.700 -0.336 0.000 2.356 218 S HA -0.127 4.343 4.470 -0.000 0.000 0.223 218 S C 1.750 176.288 174.600 -0.103 0.000 1.032 218 S CA 1.021 59.055 58.200 -0.277 0.000 1.005 218 S CB -0.673 62.326 63.200 -0.335 0.000 0.867 218 S HN 0.502 nan 8.310 nan 0.000 0.449 219 Y N 1.988 122.314 120.300 0.042 0.000 2.165 219 Y HA -0.119 4.431 4.550 -0.000 0.000 0.286 219 Y C 2.996 179.022 175.900 0.210 0.000 1.155 219 Y CA 1.830 60.054 58.100 0.206 0.000 1.164 219 Y CB -1.150 37.548 38.460 0.398 0.000 0.978 219 Y HN 0.279 nan 8.280 nan 0.000 0.513 220 T N -0.163 114.583 114.554 0.321 0.000 2.674 220 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 220 T C 1.939 176.706 174.700 0.113 0.000 1.039 220 T CA 1.680 63.916 62.100 0.228 0.000 1.150 220 T CB -0.263 68.685 68.868 0.134 0.000 0.864 220 T HN 0.280 nan 8.240 nan 0.000 0.427 221 R N 0.864 121.388 120.500 0.041 0.000 2.091 221 R HA -0.044 4.296 4.340 -0.000 0.000 0.238 221 R C 2.991 179.293 176.300 0.004 0.000 1.136 221 R CA 1.477 57.579 56.100 0.004 0.000 0.959 221 R CB -0.448 29.834 30.300 -0.029 0.000 0.856 221 R HN 0.235 nan 8.270 nan 0.000 0.437 222 S N 0.762 116.467 115.700 0.007 0.000 2.351 222 S HA -0.208 4.262 4.470 -0.000 0.000 0.220 222 S C 1.807 176.323 174.600 -0.141 0.000 1.035 222 S CA 1.367 59.551 58.200 -0.026 0.000 1.031 222 S CB -0.183 62.993 63.200 -0.041 0.000 0.928 222 S HN 0.304 nan 8.310 nan 0.000 0.433 223 K N 1.120 121.424 120.400 -0.160 0.000 2.020 223 K HA -0.159 4.161 4.320 -0.000 0.000 0.212 223 K C 2.287 178.920 176.600 0.055 0.000 1.050 223 K CA 1.354 57.599 56.287 -0.071 0.000 0.929 223 K CB -0.444 32.173 32.500 0.194 0.000 0.714 223 K HN 0.296 nan 8.250 nan 0.000 0.443 224 A N 1.062 123.913 122.820 0.053 0.000 1.873 224 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 224 A C 2.350 179.930 177.584 -0.006 0.000 1.193 224 A CA 2.403 54.461 52.037 0.035 0.000 0.629 224 A CB -0.983 18.029 19.000 0.020 0.000 0.826 224 A HN 0.537 nan 8.150 nan 0.000 0.447 225 A N -2.018 120.765 122.820 -0.061 0.000 1.898 225 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 225 A C 2.021 179.463 177.584 -0.237 0.000 1.181 225 A CA 1.331 53.224 52.037 -0.240 0.000 0.620 225 A CB -0.875 17.893 19.000 -0.386 0.000 0.819 225 A HN 0.752 nan 8.150 nan 0.000 0.442 226 W N 0.144 121.444 121.300 0.000 0.000 2.358 226 W HA -0.094 4.566 4.660 0.000 0.000 0.303 226 W C 2.324 178.884 176.519 0.069 0.000 1.208 226 W CA 1.355 58.771 57.345 0.119 0.000 1.274 226 W CB 0.021 29.502 29.460 0.035 0.000 1.138 226 W HN 0.418 nan 8.180 nan 0.000 0.515 227 E N -0.531 119.828 120.200 0.264 0.000 2.274 227 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 227 E C 2.093 178.752 176.600 0.098 0.000 0.996 227 E CA 0.829 57.339 56.400 0.182 0.000 0.840 227 E CB -0.207 29.581 29.700 0.146 0.000 0.772 227 E HN 0.213 nan 8.360 nan 0.000 0.491 228 A N 0.449 123.289 122.820 0.034 0.000 2.169 228 A HA 0.190 4.510 4.320 -0.000 0.000 0.212 228 A C 1.736 179.296 177.584 -0.041 0.000 1.153 228 A CA 0.826 52.850 52.037 -0.022 0.000 0.756 228 A CB -0.268 18.689 19.000 -0.072 0.000 0.813 228 A HN 0.305 nan 8.150 nan 0.000 0.471 229 G N -0.393 108.392 108.800 -0.025 0.000 2.160 229 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 229 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 229 G C 0.714 175.510 174.900 -0.173 0.000 1.022 229 G CA 0.674 45.756 45.100 -0.030 0.000 0.741 229 G HN 0.517 nan 8.290 nan 0.000 0.508 230 K N -1.046 119.133 120.400 -0.369 0.000 2.365 230 K HA 0.127 4.447 4.320 -0.000 0.000 0.199 230 K C 1.042 177.234 176.600 -0.680 0.000 1.045 230 K CA 0.890 56.848 56.287 -0.548 0.000 0.962 230 K CB -0.076 32.009 32.500 -0.691 0.000 0.759 230 K HN 0.465 nan 8.250 nan 0.000 0.469 231 F N -0.548 119.148 119.950 -0.422 0.000 2.639 231 F HA 0.213 4.740 4.527 0.000 0.000 0.300 231 F C 1.833 177.460 175.800 -0.287 0.000 1.109 231 F CA -0.502 57.216 58.000 -0.470 0.000 1.335 231 F CB -0.056 38.379 39.000 -0.941 0.000 1.014 231 F HN -0.031 nan 8.300 nan 0.000 0.537 232 G N 0.413 109.161 108.800 -0.087 0.000 2.450 232 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 232 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 232 G C 1.661 176.535 174.900 -0.044 0.000 1.130 232 G CA 0.943 46.029 45.100 -0.023 0.000 0.760 232 G HN 0.287 nan 8.290 nan 0.000 0.557 233 N N -0.411 118.209 118.700 -0.133 0.000 2.368 233 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 233 N C 1.901 177.225 175.510 -0.310 0.000 1.076 233 N CA 0.456 53.402 53.050 -0.172 0.000 0.889 233 N CB 0.343 38.744 38.487 -0.144 0.000 1.040 233 N HN 0.559 nan 8.380 nan 0.000 0.463 234 E N 0.863 120.811 120.200 -0.420 0.000 2.046 234 E HA -0.010 4.340 4.350 -0.000 0.000 0.190 234 E C -0.045 176.528 176.600 -0.044 0.000 0.982 234 E CA 0.646 56.839 56.400 -0.345 0.000 0.800 234 E CB 0.435 30.052 29.700 -0.138 0.000 0.756 234 E HN -0.139 nan 8.360 nan 0.000 0.449 235 V N 2.886 122.810 119.914 0.017 0.000 2.439 235 V HA 0.248 4.368 4.120 -0.000 0.000 0.282 235 V C 0.257 176.412 176.094 0.102 0.000 1.039 235 V CA -0.476 61.877 62.300 0.089 0.000 0.913 235 V CB 1.170 33.106 31.823 0.189 0.000 0.983 235 V HN 0.225 nan 8.190 nan 0.000 0.460 236 I N 3.974 124.597 120.570 0.090 0.000 2.460 236 I HA 0.694 4.864 4.170 -0.000 0.000 0.298 236 I C -2.449 173.718 176.117 0.083 0.000 0.989 236 I CA -2.504 58.843 61.300 0.080 0.000 1.173 236 I CB 1.994 40.029 38.000 0.057 0.000 1.338 236 I HN 0.369 nan 8.210 nan 0.000 0.456 237 P HA 0.186 nan 4.420 nan 0.000 0.274 237 P C -0.771 176.552 177.300 0.038 0.000 1.237 237 P CA -0.251 62.885 63.100 0.060 0.000 0.793 237 P CB 1.633 33.366 31.700 0.055 0.000 0.977 238 V N 1.824 121.753 119.914 0.025 0.000 2.487 238 V HA 0.246 4.366 4.120 -0.000 0.000 0.298 238 V C 0.341 176.438 176.094 0.006 0.000 1.028 238 V CA -0.334 61.975 62.300 0.015 0.000 0.860 238 V CB 1.756 33.587 31.823 0.012 0.000 0.991 238 V HN 0.512 nan 8.190 nan 0.000 0.427 239 T N 4.753 119.311 114.554 0.006 0.000 2.743 239 T HA 0.394 4.744 4.350 -0.000 0.000 0.293 239 T C -0.113 174.586 174.700 -0.003 0.000 0.945 239 T CA -0.110 61.991 62.100 0.001 0.000 1.030 239 T CB 0.952 69.822 68.868 0.004 0.000 0.912 239 T HN 0.372 nan 8.240 nan 0.000 0.483 240 V N 5.097 125.006 119.914 -0.008 0.000 2.364 240 V HA 0.322 4.442 4.120 -0.000 0.000 0.272 240 V C 0.540 176.628 176.094 -0.011 0.000 1.036 240 V CA -0.614 61.679 62.300 -0.011 0.000 0.880 240 V CB 1.213 33.026 31.823 -0.017 0.000 0.991 240 V HN 0.888 nan 8.190 nan 0.000 0.460 241 T N 5.112 119.661 114.554 -0.009 0.000 2.756 241 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 241 T C -0.275 174.419 174.700 -0.010 0.000 0.985 241 T CA -0.308 61.787 62.100 -0.008 0.000 0.955 241 T CB 1.328 70.193 68.868 -0.005 0.000 0.930 241 T HN 0.349 nan 8.240 nan 0.000 0.451 242 V N 4.076 123.983 119.914 -0.011 0.000 2.448 242 V HA 0.407 4.527 4.120 -0.000 0.000 0.295 242 V C 0.402 176.490 176.094 -0.010 0.000 1.025 242 V CA -1.200 61.093 62.300 -0.012 0.000 0.859 242 V CB 1.818 33.633 31.823 -0.015 0.000 0.988 242 V HN 0.755 nan 8.190 nan 0.000 0.431 243 K N 2.699 123.093 120.400 -0.009 0.000 2.484 243 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 243 K C 1.294 177.889 176.600 -0.008 0.000 1.013 243 K CA 1.290 57.572 56.287 -0.008 0.000 1.029 243 K CB 0.163 32.659 32.500 -0.007 0.000 0.902 243 K HN 1.125 nan 8.250 nan 0.000 0.481 244 G N 2.455 111.251 108.800 -0.007 0.000 2.284 244 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.247 244 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.247 244 G C -0.074 174.820 174.900 -0.009 0.000 1.012 244 G CA -0.097 44.998 45.100 -0.008 0.000 0.618 244 G HN 0.575 nan 8.290 nan 0.000 0.521 245 Q N 1.104 120.899 119.800 -0.010 0.000 2.221 245 Q HA 0.563 4.903 4.340 -0.000 0.000 0.242 245 Q C -2.319 173.675 176.000 -0.010 0.000 0.940 245 Q CA -1.696 54.100 55.803 -0.011 0.000 0.896 245 Q CB 0.736 29.466 28.738 -0.013 0.000 1.226 245 Q HN 0.304 nan 8.270 nan 0.000 0.463 246 P HA 0.110 nan 4.420 nan 0.000 0.276 246 P C -0.807 176.487 177.300 -0.011 0.000 1.230 246 P CA -0.357 62.737 63.100 -0.010 0.000 0.776 246 P CB 0.457 32.150 31.700 -0.011 0.000 0.888 247 D N 1.011 121.405 120.400 -0.009 0.000 2.506 247 D HA 0.054 4.694 4.640 -0.000 0.000 0.234 247 D C -0.174 176.119 176.300 -0.012 0.000 1.143 247 D CA 0.534 54.529 54.000 -0.009 0.000 0.871 247 D CB 0.307 41.103 40.800 -0.006 0.000 1.190 247 D HN -0.037 nan 8.370 nan 0.000 0.459 248 V N 2.864 122.770 119.914 -0.014 0.000 2.417 248 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 248 V C 0.135 176.220 176.094 -0.016 0.000 1.024 248 V CA -0.860 61.428 62.300 -0.018 0.000 0.861 248 V CB 1.909 33.717 31.823 -0.024 0.000 0.985 248 V HN 0.216 nan 8.190 nan 0.000 0.436 249 V N 5.781 125.686 119.914 -0.015 0.000 2.333 249 V HA 0.326 4.446 4.120 -0.000 0.000 0.274 249 V C 0.004 176.085 176.094 -0.021 0.000 1.028 249 V CA -0.524 61.769 62.300 -0.011 0.000 0.851 249 V CB 1.578 33.399 31.823 -0.003 0.000 1.000 249 V HN 0.628 nan 8.190 nan 0.000 0.456 250 V N 6.725 126.626 119.914 -0.021 0.000 2.348 250 V HA 0.310 4.430 4.120 -0.000 0.000 0.270 250 V C 0.912 176.991 176.094 -0.025 0.000 1.037 250 V CA -0.378 61.900 62.300 -0.037 0.000 0.872 250 V CB 0.922 32.723 31.823 -0.037 0.000 1.002 250 V HN 1.041 nan 8.190 nan 0.000 0.464 251 K N 3.468 123.841 120.400 -0.045 0.000 2.402 251 K HA 0.359 4.679 4.320 -0.000 0.000 0.203 251 K C 0.343 176.909 176.600 -0.057 0.000 1.077 251 K CA -0.264 56.023 56.287 -0.001 0.000 1.051 251 K CB 1.097 33.617 32.500 0.032 0.000 0.907 251 K HN 0.725 nan 8.250 nan 0.000 0.554 252 E N 0.912 120.944 120.200 -0.280 0.000 2.429 252 E HA 0.200 4.550 4.350 -0.000 0.000 0.276 252 E C -1.466 174.778 176.600 -0.593 0.000 0.953 252 E CA -0.904 54.993 56.400 -0.838 0.000 0.787 252 E CB 1.270 30.268 29.700 -1.169 0.000 1.307 252 E HN -0.091 nan 8.360 nan 0.000 0.458 253 D N 1.722 121.715 120.400 -0.679 0.000 2.458 253 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 253 D C 0.459 176.624 176.300 -0.225 0.000 1.146 253 D CA 0.437 54.329 54.000 -0.180 0.000 0.877 253 D CB 1.454 42.343 40.800 0.150 0.000 1.176 253 D HN 0.616 nan 8.370 nan 0.000 0.461 254 E N 1.704 121.816 120.200 -0.148 0.000 2.086 254 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 254 E C 1.224 177.723 176.600 -0.168 0.000 0.975 254 E CA 0.422 56.709 56.400 -0.188 0.000 0.813 254 E CB 0.272 29.908 29.700 -0.106 0.000 0.768 254 E HN 0.283 nan 8.360 nan 0.000 0.457 255 E N -0.050 120.133 120.200 -0.028 0.000 2.153 255 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 255 E C 1.813 178.503 176.600 0.148 0.000 0.988 255 E CA 1.527 57.964 56.400 0.063 0.000 0.811 255 E CB -0.383 29.383 29.700 0.109 0.000 0.746 255 E HN 0.576 nan 8.360 nan 0.000 0.466 256 Y N -0.632 119.741 120.300 0.123 0.000 2.373 256 Y HA 0.155 4.705 4.550 0.000 0.000 0.293 256 Y C 1.545 177.600 175.900 0.259 0.000 1.129 256 Y CA 0.810 59.070 58.100 0.267 0.000 1.226 256 Y CB -0.259 38.318 38.460 0.195 0.000 1.000 256 Y HN -0.146 nan 8.280 nan 0.000 0.549 257 K N 0.774 120.915 120.400 -0.432 0.000 2.365 257 K HA 0.060 4.380 4.320 -0.000 0.000 0.199 257 K C 0.507 177.022 176.600 -0.142 0.000 1.045 257 K CA 0.456 56.549 56.287 -0.323 0.000 0.962 257 K CB -0.021 32.191 32.500 -0.480 0.000 0.759 257 K HN 0.249 nan 8.250 nan 0.000 0.469 258 R N 1.478 121.944 120.500 -0.056 0.000 4.138 258 R HA 0.164 4.504 4.340 -0.000 0.000 0.206 258 R C -0.931 175.345 176.300 -0.040 0.000 1.667 258 R CA -0.049 56.033 56.100 -0.029 0.000 1.481 258 R CB 0.310 30.622 30.300 0.021 0.000 1.388 258 R HN -0.091 nan 8.270 nan 0.000 0.776 259 V N 0.736 120.556 119.914 -0.156 0.000 3.048 259 V HA 0.295 4.415 4.120 -0.000 0.000 0.303 259 V C -1.777 174.172 176.094 -0.240 0.000 1.214 259 V CA -0.837 61.295 62.300 -0.280 0.000 0.984 259 V CB 2.822 34.213 31.823 -0.720 0.000 1.054 259 V HN 0.354 nan 8.190 nan 0.000 0.430 260 D N 4.221 124.533 120.400 -0.146 0.000 2.542 260 D HA 0.347 4.987 4.640 -0.000 0.000 0.252 260 D C 0.432 176.763 176.300 0.051 0.000 1.222 260 D CA -0.376 53.558 54.000 -0.110 0.000 0.895 260 D CB 1.241 42.004 40.800 -0.062 0.000 1.207 260 D HN 0.306 nan 8.370 nan 0.000 0.558 261 F N 1.584 121.476 119.950 -0.097 0.000 2.216 261 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 261 F C 2.598 178.376 175.800 -0.037 0.000 1.085 261 F CA 1.028 58.986 58.000 -0.070 0.000 1.326 261 F CB -1.096 37.878 39.000 -0.043 0.000 1.027 261 F HN 0.390 nan 8.300 nan 0.000 0.497 262 S N -0.399 115.392 115.700 0.152 0.000 2.428 262 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 262 S C 1.832 176.465 174.600 0.056 0.000 1.014 262 S CA 0.667 58.916 58.200 0.083 0.000 0.957 262 S CB -0.422 62.807 63.200 0.049 0.000 0.784 262 S HN 0.369 nan 8.310 nan 0.000 0.499 263 K N 0.991 121.419 120.400 0.048 0.000 2.155 263 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 263 K C 2.042 178.667 176.600 0.041 0.000 1.052 263 K CA 0.930 57.237 56.287 0.032 0.000 0.948 263 K CB -0.575 31.935 32.500 0.017 0.000 0.728 263 K HN 0.218 nan 8.250 nan 0.000 0.448 264 V N 1.980 121.930 119.914 0.059 0.000 2.236 264 V HA -0.258 3.862 4.120 -0.000 0.000 0.255 264 V C -0.985 175.137 176.094 0.047 0.000 1.068 264 V CA 2.122 64.457 62.300 0.058 0.000 1.044 264 V CB -1.352 30.507 31.823 0.060 0.000 0.653 264 V HN 0.254 nan 8.190 nan 0.000 0.448 265 P HA -0.078 nan 4.420 nan 0.000 0.226 265 P C 1.309 178.625 177.300 0.027 0.000 1.153 265 P CA 1.207 64.326 63.100 0.031 0.000 0.777 265 P CB -0.057 31.659 31.700 0.025 0.000 0.794 266 K N -1.396 119.019 120.400 0.026 0.000 2.211 266 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 266 K C 0.472 177.082 176.600 0.016 0.000 1.052 266 K CA -0.126 56.172 56.287 0.019 0.000 0.973 266 K CB -0.392 32.117 32.500 0.016 0.000 0.766 266 K HN 0.015 nan 8.250 nan 0.000 0.466 267 L N 3.115 124.351 121.223 0.020 0.000 2.605 267 L HA -0.122 4.218 4.340 -0.000 0.000 0.296 267 L C 0.394 177.269 176.870 0.007 0.000 1.255 267 L CA 0.787 55.636 54.840 0.015 0.000 0.879 267 L CB -0.066 42.009 42.059 0.028 0.000 1.124 267 L HN 0.180 nan 8.230 nan 0.000 0.507 268 K N 0.107 120.502 120.400 -0.009 0.000 2.237 268 K HA 0.305 4.625 4.320 -0.000 0.000 0.270 268 K C -0.084 176.496 176.600 -0.033 0.000 1.015 268 K CA -0.464 55.809 56.287 -0.022 0.000 0.949 268 K CB 0.086 32.564 32.500 -0.036 0.000 0.976 268 K HN 0.664 nan 8.250 nan 0.000 0.472 269 T N -0.794 113.745 114.554 -0.025 0.000 2.855 269 T HA 0.134 4.484 4.350 -0.000 0.000 0.290 269 T C 1.122 175.769 174.700 -0.088 0.000 0.941 269 T CA -0.765 61.323 62.100 -0.021 0.000 1.030 269 T CB 0.119 68.998 68.868 0.018 0.000 0.935 269 T HN 0.525 nan 8.240 nan 0.000 0.564 270 V N 0.000 119.776 119.914 -0.230 0.000 3.141 270 V HA 0.166 4.286 4.120 -0.000 0.000 0.265 270 V C 1.279 177.038 176.094 -0.558 0.000 1.126 270 V CA 0.612 62.649 62.300 -0.439 0.000 1.141 270 V CB -1.373 30.084 31.823 -0.610 0.000 0.743 270 V HN 0.728 nan 8.190 nan 0.000 0.492 271 F N 0.432 120.356 119.950 -0.043 0.000 2.731 271 F HA 0.479 5.006 4.527 -0.000 0.000 0.298 271 F C 1.097 176.882 175.800 -0.025 0.000 1.106 271 F CA -0.141 57.827 58.000 -0.053 0.000 1.329 271 F CB 0.313 39.268 39.000 -0.076 0.000 1.100 271 F HN 0.240 nan 8.300 nan 0.000 0.592 272 Q N 0.137 119.998 119.800 0.102 0.000 2.295 272 Q HA 0.195 4.535 4.340 -0.000 0.000 0.268 272 Q C 0.530 176.545 176.000 0.026 0.000 1.010 272 Q CA -0.438 55.403 55.803 0.063 0.000 0.856 272 Q CB 2.146 30.922 28.738 0.063 0.000 1.349 272 Q HN 0.024 nan 8.270 nan 0.000 0.412 273 K N 1.693 122.104 120.400 0.018 0.000 1.985 273 K HA -0.043 4.277 4.320 -0.000 0.000 0.210 273 K C -0.216 176.389 176.600 0.008 0.000 1.047 273 K CA 1.246 57.537 56.287 0.008 0.000 0.932 273 K CB 0.316 32.821 32.500 0.008 0.000 0.716 273 K HN 0.548 nan 8.250 nan 0.000 0.439 274 E N 1.606 121.813 120.200 0.012 0.000 2.283 274 E HA 0.037 4.387 4.350 -0.000 0.000 0.278 274 E C -0.586 176.020 176.600 0.010 0.000 1.027 274 E CA -0.238 56.167 56.400 0.009 0.000 0.843 274 E CB 0.802 30.507 29.700 0.008 0.000 1.062 274 E HN 0.282 nan 8.360 nan 0.000 0.401 275 N N 0.741 119.445 118.700 0.008 0.000 2.689 275 N HA -0.202 4.538 4.740 -0.000 0.000 0.263 275 N C 0.118 175.634 175.510 0.010 0.000 0.987 275 N CA 0.946 54.000 53.050 0.007 0.000 0.782 275 N CB -0.962 37.526 38.487 0.003 0.000 0.903 275 N HN 0.647 nan 8.380 nan 0.000 0.547 276 G N -1.143 107.667 108.800 0.016 0.000 2.528 276 G HA2 0.528 4.488 3.960 -0.000 0.000 0.289 276 G HA3 0.528 4.488 3.960 -0.000 0.000 0.289 276 G C 0.924 175.842 174.900 0.029 0.000 1.192 276 G CA 0.095 45.212 45.100 0.027 0.000 0.921 276 G HN 0.352 nan 8.290 nan 0.000 0.512 277 T N -3.851 110.728 114.554 0.042 0.000 3.100 277 T HA 0.141 4.491 4.350 -0.000 0.000 0.255 277 T C 0.449 175.197 174.700 0.081 0.000 0.893 277 T CA 0.082 62.209 62.100 0.045 0.000 0.882 277 T CB -0.035 68.846 68.868 0.021 0.000 1.266 277 T HN 0.336 nan 8.240 nan 0.000 0.528 278 V N 4.149 124.133 119.914 0.116 0.000 2.530 278 V HA 0.611 4.731 4.120 -0.000 0.000 0.282 278 V C 0.711 176.955 176.094 0.250 0.000 1.048 278 V CA -0.045 62.383 62.300 0.214 0.000 0.997 278 V CB 0.684 32.651 31.823 0.240 0.000 0.987 278 V HN 0.782 nan 8.190 nan 0.000 0.477 279 T N 1.335 116.035 114.554 0.243 0.000 2.907 279 T HA 0.677 5.027 4.350 -0.000 0.000 0.290 279 T C 1.008 175.836 174.700 0.214 0.000 1.066 279 T CA -0.101 62.094 62.100 0.158 0.000 1.012 279 T CB 2.003 70.937 68.868 0.111 0.000 1.184 279 T HN 0.670 nan 8.240 nan 0.000 0.522 280 A N 0.322 123.212 122.820 0.115 0.000 2.024 280 A HA 0.260 4.580 4.320 -0.000 0.000 0.220 280 A C 2.358 180.050 177.584 0.179 0.000 1.164 280 A CA 1.837 53.955 52.037 0.135 0.000 0.643 280 A CB -1.330 17.703 19.000 0.055 0.000 0.806 280 A HN 1.250 nan 8.150 nan 0.000 0.451 281 A N 0.760 123.686 122.820 0.177 0.000 1.984 281 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 281 A C 1.589 179.344 177.584 0.285 0.000 1.173 281 A CA 1.285 53.455 52.037 0.222 0.000 0.673 281 A CB -0.392 18.704 19.000 0.160 0.000 0.830 281 A HN 0.708 nan 8.150 nan 0.000 0.453 282 N N -0.187 118.664 118.700 0.252 0.000 2.280 282 N HA 0.371 5.111 4.740 -0.000 0.000 0.192 282 N C 0.272 175.954 175.510 0.287 0.000 1.109 282 N CA 0.624 53.832 53.050 0.263 0.000 0.855 282 N CB -0.055 38.566 38.487 0.224 0.000 0.974 282 N HN 0.343 nan 8.380 nan 0.000 0.482 283 A N 0.208 123.209 122.820 0.302 0.000 2.269 283 A HA 0.683 5.003 4.320 -0.000 0.000 0.319 283 A C 0.385 178.020 177.584 0.084 0.000 1.110 283 A CA -0.503 51.694 52.037 0.266 0.000 0.847 283 A CB 0.498 19.766 19.000 0.448 0.000 1.161 283 A HN 0.393 nan 8.150 nan 0.000 0.497 284 S N 0.010 115.637 115.700 -0.121 0.000 2.614 284 S HA 0.546 5.016 4.470 -0.000 0.000 0.265 284 S C 0.434 175.039 174.600 0.009 0.000 1.303 284 S CA 0.232 58.393 58.200 -0.065 0.000 1.000 284 S CB 0.565 63.689 63.200 -0.126 0.000 0.935 284 S HN 1.298 nan 8.310 nan 0.000 0.551 285 T N -0.814 113.769 114.554 0.050 0.000 2.937 285 T HA 0.608 4.958 4.350 -0.000 0.000 0.283 285 T C -0.023 174.683 174.700 0.010 0.000 1.012 285 T CA -1.159 60.970 62.100 0.048 0.000 0.997 285 T CB 0.166 69.083 68.868 0.080 0.000 1.136 285 T HN 0.580 nan 8.240 nan 0.000 0.551 286 L N 1.799 122.985 121.223 -0.061 0.000 2.305 286 L HA 0.536 4.876 4.340 -0.000 0.000 0.281 286 L C -0.069 176.832 176.870 0.051 0.000 1.085 286 L CA -0.589 54.179 54.840 -0.120 0.000 0.813 286 L CB 0.164 41.934 42.059 -0.481 0.000 1.157 286 L HN 0.735 nan 8.230 nan 0.000 0.436 287 N N 0.745 119.488 118.700 0.072 0.000 2.972 287 N HA 0.501 5.241 4.740 -0.000 0.000 0.262 287 N C -1.852 173.711 175.510 0.088 0.000 1.478 287 N CA -0.880 52.236 53.050 0.109 0.000 0.841 287 N CB 1.629 40.164 38.487 0.080 0.000 1.512 287 N HN 0.418 nan 8.380 nan 0.000 0.548 288 D N -0.526 119.917 120.400 0.071 0.000 2.646 288 D HA 0.737 5.377 4.640 -0.000 0.000 0.245 288 D C -0.402 175.919 176.300 0.034 0.000 1.099 288 D CA -0.291 53.736 54.000 0.045 0.000 0.849 288 D CB 1.842 42.663 40.800 0.034 0.000 1.448 288 D HN 0.661 nan 8.370 nan 0.000 0.489 289 G N -0.591 108.226 108.800 0.028 0.000 2.387 289 G HA2 0.641 4.601 3.960 -0.000 0.000 0.294 289 G HA3 0.641 4.601 3.960 -0.000 0.000 0.294 289 G C -1.935 172.982 174.900 0.028 0.000 1.509 289 G CA -0.390 44.728 45.100 0.030 0.000 0.806 289 G HN 0.589 nan 8.290 nan 0.000 0.546 290 A N -0.976 121.863 122.820 0.032 0.000 2.539 290 A HA 1.099 5.419 4.320 -0.000 0.000 0.296 290 A C -0.317 177.292 177.584 0.041 0.000 1.073 290 A CA 0.067 52.124 52.037 0.033 0.000 0.700 290 A CB 1.737 20.754 19.000 0.028 0.000 1.296 290 A HN 2.534 nan 8.150 nan 0.000 0.405 291 A N -0.011 122.835 122.820 0.044 0.000 2.455 291 A HA 0.935 5.255 4.320 -0.000 0.000 0.300 291 A C -0.460 177.153 177.584 0.047 0.000 1.040 291 A CA 0.093 52.162 52.037 0.053 0.000 0.697 291 A CB 1.405 20.441 19.000 0.060 0.000 1.265 291 A HN 2.537 nan 8.150 nan 0.000 0.407 292 A N 1.303 124.153 122.820 0.050 0.000 2.449 292 A HA 0.799 5.119 4.320 -0.000 0.000 0.302 292 A C -1.632 175.977 177.584 0.040 0.000 1.048 292 A CA -0.397 51.664 52.037 0.039 0.000 0.708 292 A CB 1.048 20.067 19.000 0.033 0.000 1.274 292 A HN 0.883 nan 8.150 nan 0.000 0.410 293 L N 1.366 122.604 121.223 0.024 0.000 2.365 293 L HA 0.572 4.912 4.340 -0.000 0.000 0.273 293 L C -0.305 176.564 176.870 -0.002 0.000 1.000 293 L CA -0.541 54.307 54.840 0.014 0.000 0.819 293 L CB 2.002 44.064 42.059 0.004 0.000 1.284 293 L HN 0.426 nan 8.230 nan 0.000 0.418 294 V N 4.474 124.386 119.914 -0.004 0.000 2.406 294 V HA 0.423 4.543 4.120 -0.000 0.000 0.272 294 V C 0.013 176.094 176.094 -0.022 0.000 1.043 294 V CA -0.391 61.901 62.300 -0.014 0.000 0.915 294 V CB 1.062 32.881 31.823 -0.007 0.000 0.988 294 V HN 0.470 nan 8.190 nan 0.000 0.466 295 L N 6.954 128.159 121.223 -0.030 0.000 2.346 295 L HA 0.800 5.140 4.340 -0.000 0.000 0.276 295 L C -0.188 176.665 176.870 -0.029 0.000 1.006 295 L CA -0.470 54.352 54.840 -0.030 0.000 0.817 295 L CB 1.762 43.798 42.059 -0.038 0.000 1.272 295 L HN 0.715 nan 8.230 nan 0.000 0.421 296 M N -0.008 119.579 119.600 -0.021 0.000 2.683 296 M HA 0.552 5.032 4.480 -0.000 0.000 0.274 296 M C -0.392 175.902 176.300 -0.010 0.000 1.272 296 M CA -0.812 54.478 55.300 -0.018 0.000 0.833 296 M CB 2.071 34.661 32.600 -0.017 0.000 1.708 296 M HN 0.476 nan 8.290 nan 0.000 0.463 297 T N -0.724 113.825 114.554 -0.009 0.000 2.860 297 T HA 0.521 4.871 4.350 -0.000 0.000 0.299 297 T C 1.186 175.882 174.700 -0.006 0.000 1.045 297 T CA -0.078 62.019 62.100 -0.005 0.000 1.071 297 T CB 1.140 70.005 68.868 -0.005 0.000 0.985 297 T HN 0.833 nan 8.240 nan 0.000 0.537 298 A N 1.592 124.409 122.820 -0.005 0.000 1.917 298 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 298 A C 2.056 179.636 177.584 -0.008 0.000 1.182 298 A CA 1.920 53.952 52.037 -0.008 0.000 0.633 298 A CB -1.074 17.921 19.000 -0.008 0.000 0.819 298 A HN 0.917 nan 8.150 nan 0.000 0.448 299 D N -0.097 120.299 120.400 -0.006 0.000 2.123 299 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 299 D C 2.211 178.507 176.300 -0.005 0.000 0.992 299 D CA 1.666 55.663 54.000 -0.005 0.000 0.833 299 D CB -0.427 40.371 40.800 -0.003 0.000 0.954 299 D HN 0.451 nan 8.370 nan 0.000 0.455 300 A N 0.723 123.539 122.820 -0.006 0.000 1.930 300 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 300 A C 2.284 179.863 177.584 -0.007 0.000 1.175 300 A CA 1.876 53.910 52.037 -0.006 0.000 0.627 300 A CB -0.566 18.430 19.000 -0.007 0.000 0.815 300 A HN 0.224 nan 8.150 nan 0.000 0.443 301 A N 0.151 122.966 122.820 -0.009 0.000 1.902 301 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 301 A C 2.110 179.688 177.584 -0.009 0.000 1.181 301 A CA 1.813 53.844 52.037 -0.010 0.000 0.623 301 A CB -0.404 18.589 19.000 -0.013 0.000 0.818 301 A HN 0.549 nan 8.150 nan 0.000 0.443 302 K N -0.822 119.572 120.400 -0.008 0.000 2.002 302 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 302 K C 2.385 178.981 176.600 -0.006 0.000 1.048 302 K CA 1.437 57.719 56.287 -0.007 0.000 0.930 302 K CB -0.231 32.265 32.500 -0.007 0.000 0.714 302 K HN 0.463 nan 8.250 nan 0.000 0.438 303 R N 0.768 121.265 120.500 -0.005 0.000 2.105 303 R HA -0.137 4.203 4.340 -0.000 0.000 0.239 303 R C 1.543 177.841 176.300 -0.004 0.000 1.135 303 R CA 1.196 57.294 56.100 -0.004 0.000 0.967 303 R CB -0.002 30.296 30.300 -0.003 0.000 0.861 303 R HN 0.057 nan 8.270 nan 0.000 0.442 304 L N 1.398 122.618 121.223 -0.005 0.000 2.592 304 L HA 0.090 4.430 4.340 -0.000 0.000 0.227 304 L C 0.390 177.258 176.870 -0.004 0.000 1.127 304 L CA 0.808 55.645 54.840 -0.004 0.000 0.884 304 L CB -1.246 40.810 42.059 -0.005 0.000 1.065 304 L HN 0.375 nan 8.230 nan 0.000 0.457 305 N N 0.335 119.032 118.700 -0.005 0.000 2.738 305 N HA -0.170 4.570 4.740 -0.000 0.000 0.249 305 N C -0.255 175.252 175.510 -0.006 0.000 1.047 305 N CA 0.476 53.523 53.050 -0.005 0.000 0.707 305 N CB -0.462 38.022 38.487 -0.004 0.000 0.937 305 N HN 0.173 nan 8.380 nan 0.000 0.545 306 V N -1.897 118.013 119.914 -0.007 0.000 2.667 306 V HA 0.647 4.767 4.120 -0.000 0.000 0.308 306 V C 0.612 176.699 176.094 -0.011 0.000 1.048 306 V CA -0.489 61.807 62.300 -0.008 0.000 0.928 306 V CB 1.870 33.689 31.823 -0.007 0.000 1.004 306 V HN 0.092 nan 8.190 nan 0.000 0.444 307 T N 5.507 120.053 114.554 -0.012 0.000 2.723 307 T HA 0.451 4.801 4.350 -0.000 0.000 0.297 307 T C -2.415 172.272 174.700 -0.023 0.000 0.925 307 T CA -0.482 61.608 62.100 -0.017 0.000 1.030 307 T CB 0.617 69.475 68.868 -0.017 0.000 0.905 307 T HN 0.760 nan 8.240 nan 0.000 0.502 308 P HA 0.193 nan 4.420 nan 0.000 0.271 308 P C 0.444 177.716 177.300 -0.047 0.000 1.216 308 P CA -0.539 62.541 63.100 -0.034 0.000 0.776 308 P CB 0.659 32.341 31.700 -0.031 0.000 0.881 309 L N 1.773 122.959 121.223 -0.061 0.000 2.102 309 L HA 0.289 4.629 4.340 -0.000 0.000 0.202 309 L C 1.018 177.833 176.870 -0.092 0.000 1.076 309 L CA 1.401 56.188 54.840 -0.088 0.000 0.761 309 L CB -1.054 40.925 42.059 -0.132 0.000 0.921 309 L HN 0.494 nan 8.230 nan 0.000 0.444 310 A N -1.434 121.338 122.820 -0.080 0.000 2.609 310 A HA 0.656 4.976 4.320 -0.000 0.000 0.291 310 A C -0.717 176.841 177.584 -0.043 0.000 1.096 310 A CA -0.624 51.371 52.037 -0.071 0.000 0.684 310 A CB 1.248 20.200 19.000 -0.080 0.000 1.282 310 A HN 0.015 nan 8.150 nan 0.000 0.412 311 R N 0.835 121.317 120.500 -0.031 0.000 2.532 311 R HA 0.664 5.004 4.340 -0.000 0.000 0.295 311 R C -1.241 175.075 176.300 0.026 0.000 0.968 311 R CA -0.617 55.481 56.100 -0.004 0.000 0.916 311 R CB 0.797 31.094 30.300 -0.005 0.000 1.124 311 R HN 0.667 nan 8.270 nan 0.000 0.463 312 I N 5.495 126.096 120.570 0.051 0.000 2.301 312 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 312 I C 0.928 177.104 176.117 0.099 0.000 1.046 312 I CA -0.362 60.999 61.300 0.102 0.000 1.282 312 I CB 1.606 39.696 38.000 0.150 0.000 1.409 312 I HN 0.556 nan 8.210 nan 0.000 0.484 313 V N 5.975 125.940 119.914 0.084 0.000 2.341 313 V HA 0.250 4.370 4.120 -0.000 0.000 0.240 313 V C 0.830 176.888 176.094 -0.060 0.000 1.035 313 V CA 1.083 63.402 62.300 0.031 0.000 1.033 313 V CB -0.020 31.838 31.823 0.059 0.000 0.678 313 V HN 0.856 nan 8.190 nan 0.000 0.464 314 A N -0.250 122.530 122.820 -0.067 0.000 2.610 314 A HA 0.803 5.123 4.320 -0.000 0.000 0.291 314 A C -1.606 175.923 177.584 -0.092 0.000 1.086 314 A CA -0.476 51.405 52.037 -0.259 0.000 0.677 314 A CB 1.483 20.368 19.000 -0.192 0.000 1.278 314 A HN 0.431 nan 8.150 nan 0.000 0.414 315 F N -2.286 117.664 119.950 0.001 0.000 2.686 315 F HA 0.945 5.472 4.527 -0.000 0.000 0.311 315 F C -0.246 175.564 175.800 0.016 0.000 1.128 315 F CA -0.658 57.348 58.000 0.010 0.000 0.946 315 F CB 1.362 40.372 39.000 0.018 0.000 1.336 315 F HN 1.402 nan 8.300 nan 0.000 0.457 316 A N 0.340 123.313 122.820 0.255 0.000 2.606 316 A HA 0.703 5.023 4.320 -0.000 0.000 0.293 316 A C -2.143 175.536 177.584 0.157 0.000 1.082 316 A CA -0.797 51.341 52.037 0.168 0.000 0.685 316 A CB 1.735 20.790 19.000 0.092 0.000 1.284 316 A HN 0.758 nan 8.150 nan 0.000 0.408 317 D N 0.240 120.715 120.400 0.125 0.000 2.350 317 D HA 0.667 5.307 4.640 -0.000 0.000 0.245 317 D C -0.354 175.999 176.300 0.087 0.000 1.036 317 D CA 0.074 54.135 54.000 0.101 0.000 0.848 317 D CB 2.231 43.081 40.800 0.083 0.000 1.307 317 D HN 0.860 nan 8.370 nan 0.000 0.469 318 A N 0.474 123.349 122.820 0.092 0.000 2.498 318 A HA 0.852 5.172 4.320 -0.000 0.000 0.298 318 A C -1.427 176.196 177.584 0.066 0.000 1.075 318 A CA -0.621 51.465 52.037 0.081 0.000 0.714 318 A CB 2.069 21.150 19.000 0.136 0.000 1.299 318 A HN 0.592 nan 8.150 nan 0.000 0.407 319 A N 0.349 123.183 122.820 0.023 0.000 2.486 319 A HA 0.822 5.142 4.320 -0.000 0.000 0.300 319 A C -0.279 177.283 177.584 -0.037 0.000 1.048 319 A CA 0.040 52.087 52.037 0.016 0.000 0.696 319 A CB 1.126 20.130 19.000 0.007 0.000 1.278 319 A HN 2.290 nan 8.150 nan 0.000 0.405 320 V N -1.073 118.831 119.914 -0.016 0.000 3.165 320 V HA 0.802 4.922 4.120 -0.000 0.000 0.307 320 V C 0.079 176.154 176.094 -0.033 0.000 1.281 320 V CA -0.960 61.304 62.300 -0.060 0.000 1.056 320 V CB 0.656 32.450 31.823 -0.050 0.000 1.178 320 V HN 0.865 nan 8.190 nan 0.000 0.475 321 E N 1.617 121.793 120.200 -0.040 0.000 2.529 321 E HA 0.162 4.512 4.350 -0.000 0.000 0.259 321 E C -1.939 174.675 176.600 0.024 0.000 0.966 321 E CA -0.948 55.433 56.400 -0.032 0.000 0.937 321 E CB 1.010 30.693 29.700 -0.028 0.000 0.923 321 E HN 0.522 nan 8.360 nan 0.000 0.468 322 P HA -0.210 nan 4.420 nan 0.000 0.216 322 P C 1.312 178.756 177.300 0.240 0.000 1.154 322 P CA 1.112 64.295 63.100 0.137 0.000 0.865 322 P CB 0.040 31.835 31.700 0.159 0.000 0.789 323 I N -0.841 119.825 120.570 0.159 0.000 2.567 323 I HA -0.171 3.999 4.170 -0.000 0.000 0.257 323 I C 0.490 176.620 176.117 0.023 0.000 1.184 323 I CA 1.568 62.950 61.300 0.136 0.000 1.451 323 I CB -0.069 37.968 38.000 0.063 0.000 1.089 323 I HN -0.149 nan 8.210 nan 0.000 0.441 324 D N 0.486 120.894 120.400 0.012 0.000 2.336 324 D HA -0.013 4.627 4.640 -0.000 0.000 0.228 324 D C 1.641 177.895 176.300 -0.076 0.000 1.120 324 D CA 0.038 53.991 54.000 -0.079 0.000 0.839 324 D CB -0.133 40.653 40.800 -0.023 0.000 0.932 324 D HN 0.465 nan 8.370 nan 0.000 0.509 325 F N 0.780 120.753 119.950 0.039 0.000 2.236 325 F HA -0.041 4.486 4.527 -0.000 0.000 0.302 325 F C -1.105 174.734 175.800 0.066 0.000 1.073 325 F CA 0.408 58.444 58.000 0.059 0.000 1.336 325 F CB -1.913 37.128 39.000 0.068 0.000 1.040 325 F HN -0.028 nan 8.300 nan 0.000 0.507 326 P HA -0.131 nan 4.420 nan 0.000 0.220 326 P C 1.831 179.078 177.300 -0.088 0.000 1.148 326 P CA 1.891 64.809 63.100 -0.303 0.000 0.803 326 P CB -0.328 31.099 31.700 -0.454 0.000 0.782 327 I N -4.719 115.819 120.570 -0.053 0.000 3.030 327 I HA 0.165 4.335 4.170 -0.000 0.000 0.270 327 I C 1.985 178.191 176.117 0.149 0.000 1.211 327 I CA 0.624 61.939 61.300 0.025 0.000 1.479 327 I CB -0.957 37.082 38.000 0.064 0.000 1.105 327 I HN -0.229 nan 8.210 nan 0.000 0.447 328 A N 2.593 125.533 122.820 0.200 0.000 1.958 328 A HA -0.104 4.216 4.320 -0.000 0.000 0.221 328 A C 0.123 177.838 177.584 0.218 0.000 1.178 328 A CA 1.964 54.159 52.037 0.264 0.000 0.642 328 A CB -1.997 17.125 19.000 0.202 0.000 0.816 328 A HN 0.425 nan 8.150 nan 0.000 0.453 329 P HA -0.044 nan 4.420 nan 0.000 0.226 329 P C 1.496 178.840 177.300 0.072 0.000 1.153 329 P CA 0.760 63.931 63.100 0.119 0.000 0.777 329 P CB -0.094 31.670 31.700 0.106 0.000 0.794 330 V N -1.122 118.778 119.914 -0.024 0.000 2.237 330 V HA -0.281 3.839 4.120 -0.000 0.000 0.245 330 V C 2.103 178.090 176.094 -0.178 0.000 1.046 330 V CA 1.955 64.145 62.300 -0.183 0.000 1.007 330 V CB -1.527 30.042 31.823 -0.423 0.000 0.638 330 V HN 0.044 nan 8.190 nan 0.000 0.445 331 Y N 0.755 121.077 120.300 0.038 0.000 2.165 331 Y HA -0.168 4.382 4.550 0.000 0.000 0.286 331 Y C 2.530 178.461 175.900 0.051 0.000 1.155 331 Y CA 1.374 59.496 58.100 0.037 0.000 1.164 331 Y CB -1.114 37.362 38.460 0.027 0.000 0.978 331 Y HN 0.193 nan 8.280 nan 0.000 0.513 332 A N 0.232 123.174 122.820 0.203 0.000 1.877 332 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 332 A C 2.480 180.139 177.584 0.125 0.000 1.186 332 A CA 1.877 54.005 52.037 0.151 0.000 0.620 332 A CB -1.290 17.796 19.000 0.144 0.000 0.822 332 A HN 0.409 nan 8.150 nan 0.000 0.443 333 A N -0.416 122.483 122.820 0.132 0.000 1.877 333 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 333 A C 2.444 180.097 177.584 0.115 0.000 1.186 333 A CA 2.165 54.292 52.037 0.150 0.000 0.620 333 A CB -0.946 18.221 19.000 0.279 0.000 0.822 333 A HN 0.471 nan 8.150 nan 0.000 0.443 334 S N -0.386 115.370 115.700 0.094 0.000 2.382 334 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 334 S C 1.998 176.634 174.600 0.059 0.000 1.027 334 S CA 1.796 60.037 58.200 0.068 0.000 0.991 334 S CB -0.427 62.799 63.200 0.043 0.000 0.823 334 S HN 0.569 nan 8.310 nan 0.000 0.469 335 M N 0.629 120.274 119.600 0.074 0.000 2.108 335 M HA -0.108 4.372 4.480 -0.000 0.000 0.261 335 M C 2.136 178.448 176.300 0.020 0.000 1.066 335 M CA 1.250 56.582 55.300 0.054 0.000 1.107 335 M CB -0.579 32.063 32.600 0.070 0.000 1.356 335 M HN 0.165 nan 8.290 nan 0.000 0.406 336 V N 0.616 120.542 119.914 0.020 0.000 2.307 336 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 336 V C 2.263 178.326 176.094 -0.052 0.000 1.045 336 V CA 1.616 63.904 62.300 -0.019 0.000 1.024 336 V CB -0.630 31.189 31.823 -0.007 0.000 0.651 336 V HN 0.444 nan 8.190 nan 0.000 0.449 337 L N -0.245 120.953 121.223 -0.040 0.000 1.989 337 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 337 L C 2.633 179.472 176.870 -0.051 0.000 1.071 337 L CA 2.014 56.816 54.840 -0.062 0.000 0.749 337 L CB -0.727 41.323 42.059 -0.015 0.000 0.890 337 L HN 0.278 nan 8.230 nan 0.000 0.431 338 K N 0.040 120.427 120.400 -0.022 0.000 2.063 338 K HA -0.267 4.053 4.320 -0.000 0.000 0.208 338 K C 1.814 178.394 176.600 -0.034 0.000 1.048 338 K CA 2.081 58.356 56.287 -0.019 0.000 0.928 338 K CB -0.129 32.372 32.500 0.001 0.000 0.713 338 K HN 0.237 nan 8.250 nan 0.000 0.442 339 D N -0.153 120.222 120.400 -0.042 0.000 2.117 339 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 339 D C 1.514 177.772 176.300 -0.071 0.000 0.987 339 D CA 1.114 55.081 54.000 -0.056 0.000 0.829 339 D CB 0.189 40.947 40.800 -0.070 0.000 0.961 339 D HN 0.013 nan 8.370 nan 0.000 0.460 340 V N -0.484 119.377 119.914 -0.088 0.000 3.541 340 V HA 0.241 4.361 4.120 -0.000 0.000 0.267 340 V C 1.605 177.643 176.094 -0.095 0.000 1.213 340 V CA 0.631 62.870 62.300 -0.102 0.000 1.149 340 V CB -0.314 31.423 31.823 -0.143 0.000 0.822 340 V HN 0.494 nan 8.190 nan 0.000 0.462 341 G N 1.042 109.795 108.800 -0.078 0.000 2.221 341 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.265 341 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.265 341 G C -0.056 174.795 174.900 -0.083 0.000 1.041 341 G CA 0.475 45.537 45.100 -0.064 0.000 0.807 341 G HN 0.458 nan 8.290 nan 0.000 0.502 342 L N -1.125 120.026 121.223 -0.120 0.000 2.358 342 L HA 0.623 4.963 4.340 -0.000 0.000 0.268 342 L C 0.811 177.631 176.870 -0.083 0.000 1.032 342 L CA -0.989 53.763 54.840 -0.148 0.000 0.805 342 L CB 1.313 43.191 42.059 -0.301 0.000 1.253 342 L HN 0.032 nan 8.230 nan 0.000 0.452 343 K N 0.445 120.812 120.400 -0.056 0.000 2.118 343 K HA 0.229 4.549 4.320 -0.000 0.000 0.254 343 K C 0.661 177.285 176.600 0.040 0.000 0.961 343 K CA -0.758 55.529 56.287 -0.001 0.000 0.876 343 K CB 1.860 34.367 32.500 0.011 0.000 1.077 343 K HN 0.467 nan 8.250 nan 0.000 0.440 344 K N 0.673 121.141 120.400 0.114 0.000 2.160 344 K HA -0.239 4.081 4.320 -0.000 0.000 0.206 344 K C 0.699 177.461 176.600 0.271 0.000 1.047 344 K CA 1.776 58.228 56.287 0.276 0.000 0.930 344 K CB -0.022 32.631 32.500 0.256 0.000 0.720 344 K HN 0.445 nan 8.250 nan 0.000 0.450 345 E N 1.203 121.491 120.200 0.147 0.000 2.347 345 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 345 E C 1.245 177.911 176.600 0.110 0.000 1.008 345 E CA 0.947 57.424 56.400 0.127 0.000 0.852 345 E CB 0.022 29.768 29.700 0.077 0.000 0.783 345 E HN 0.359 nan 8.360 nan 0.000 0.505 346 D N 0.073 120.516 120.400 0.072 0.000 2.317 346 D HA -0.057 4.583 4.640 -0.000 0.000 0.211 346 D C 0.188 176.532 176.300 0.074 0.000 0.966 346 D CA 0.435 54.470 54.000 0.058 0.000 0.876 346 D CB 0.259 41.045 40.800 -0.024 0.000 0.927 346 D HN 0.138 nan 8.370 nan 0.000 0.519 347 I N 1.595 122.179 120.570 0.024 0.000 2.379 347 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 347 I C 1.501 177.627 176.117 0.015 0.000 1.063 347 I CA -0.382 60.855 61.300 -0.105 0.000 1.351 347 I CB 0.626 38.285 38.000 -0.568 0.000 1.410 347 I HN -0.182 nan 8.210 nan 0.000 0.505 348 A N 7.060 129.889 122.820 0.014 0.000 1.968 348 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 348 A C 1.065 178.687 177.584 0.063 0.000 1.169 348 A CA 0.899 52.963 52.037 0.045 0.000 0.638 348 A CB 0.144 19.154 19.000 0.016 0.000 0.812 348 A HN 0.712 nan 8.150 nan 0.000 0.446 349 M N -1.128 118.467 119.600 -0.009 0.000 2.255 349 M HA 0.441 4.921 4.480 -0.000 0.000 0.275 349 M C -2.448 173.842 176.300 -0.017 0.000 1.050 349 M CA -0.437 54.899 55.300 0.061 0.000 0.978 349 M CB 1.241 33.858 32.600 0.028 0.000 1.761 349 M HN 0.274 nan 8.290 nan 0.000 0.479 350 W N 3.311 124.645 121.300 0.057 0.000 2.520 350 W HA 0.489 5.149 4.660 -0.000 0.000 0.323 350 W C -0.168 176.395 176.519 0.073 0.000 1.062 350 W CA -0.235 57.144 57.345 0.057 0.000 1.215 350 W CB 1.095 30.581 29.460 0.044 0.000 1.340 350 W HN 0.376 nan 8.180 nan 0.000 0.516 351 E N 2.832 123.197 120.200 0.275 0.000 2.255 351 E HA 0.269 4.619 4.350 -0.000 0.000 0.245 351 E C -1.202 175.517 176.600 0.198 0.000 0.909 351 E CA -0.558 55.968 56.400 0.211 0.000 0.747 351 E CB 1.591 31.391 29.700 0.166 0.000 1.215 351 E HN 0.151 nan 8.360 nan 0.000 0.424 352 V N 3.531 123.557 119.914 0.187 0.000 2.318 352 V HA 0.119 4.239 4.120 -0.000 0.000 0.271 352 V C 0.453 176.591 176.094 0.075 0.000 1.030 352 V CA -0.975 61.405 62.300 0.133 0.000 0.844 352 V CB 0.887 32.768 31.823 0.097 0.000 1.015 352 V HN 0.472 nan 8.190 nan 0.000 0.460 353 N N 3.932 122.662 118.700 0.051 0.000 2.359 353 N HA -0.063 4.677 4.740 -0.000 0.000 0.261 353 N C 0.621 176.101 175.510 -0.051 0.000 1.267 353 N CA 0.396 53.436 53.050 -0.016 0.000 0.864 353 N CB 0.467 38.921 38.487 -0.055 0.000 1.063 353 N HN 0.684 nan 8.380 nan 0.000 0.474 354 E N 3.064 123.223 120.200 -0.069 0.000 2.676 354 E HA 0.053 4.403 4.350 -0.000 0.000 0.318 354 E C 0.904 177.405 176.600 -0.165 0.000 1.514 354 E CA -0.269 56.104 56.400 -0.044 0.000 1.667 354 E CB -0.156 29.579 29.700 0.057 0.000 1.336 354 E HN 0.669 nan 8.360 nan 0.000 0.492 355 A N 1.311 124.008 122.820 -0.205 0.000 1.917 355 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 355 A C 0.478 177.704 177.584 -0.597 0.000 1.182 355 A CA 1.320 53.148 52.037 -0.349 0.000 0.633 355 A CB -0.054 18.918 19.000 -0.048 0.000 0.819 355 A HN 0.343 nan 8.150 nan 0.000 0.448 356 F N -3.457 116.520 119.950 0.045 0.000 2.601 356 F HA 0.416 4.943 4.527 -0.000 0.000 0.309 356 F C 1.327 177.128 175.800 0.002 0.000 1.089 356 F CA -0.354 57.676 58.000 0.050 0.000 0.940 356 F CB 1.556 40.584 39.000 0.047 0.000 1.273 356 F HN -0.105 nan 8.300 nan 0.000 0.450 357 S N 1.328 117.161 115.700 0.221 0.000 2.372 357 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 357 S C 2.126 176.671 174.600 -0.092 0.000 1.044 357 S CA 1.354 59.609 58.200 0.092 0.000 1.050 357 S CB -0.296 63.054 63.200 0.250 0.000 0.901 357 S HN 0.669 nan 8.310 nan 0.000 0.447 358 L N 2.078 123.319 121.223 0.030 0.000 2.064 358 L HA -0.172 4.168 4.340 -0.000 0.000 0.216 358 L C 2.128 178.944 176.870 -0.091 0.000 1.077 358 L CA 2.021 56.836 54.840 -0.042 0.000 0.766 358 L CB -1.175 40.856 42.059 -0.047 0.000 0.890 358 L HN 0.232 nan 8.230 nan 0.000 0.435 359 V N -0.494 119.406 119.914 -0.023 0.000 2.307 359 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 359 V C 2.747 178.764 176.094 -0.128 0.000 1.045 359 V CA 1.537 63.813 62.300 -0.038 0.000 1.024 359 V CB -0.498 31.380 31.823 0.091 0.000 0.651 359 V HN 0.332 nan 8.190 nan 0.000 0.449 360 V N -0.153 119.621 119.914 -0.232 0.000 2.343 360 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 360 V C 2.328 178.217 176.094 -0.342 0.000 1.051 360 V CA 1.941 64.037 62.300 -0.340 0.000 1.036 360 V CB -0.620 30.817 31.823 -0.642 0.000 0.654 360 V HN 0.428 nan 8.190 nan 0.000 0.451 361 L N 0.157 121.156 121.223 -0.374 0.000 2.017 361 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 361 L C 2.804 179.569 176.870 -0.176 0.000 1.073 361 L CA 1.679 56.370 54.840 -0.248 0.000 0.745 361 L CB -0.892 41.053 42.059 -0.190 0.000 0.894 361 L HN 0.364 nan 8.230 nan 0.000 0.432 362 A N 0.074 122.799 122.820 -0.159 0.000 1.917 362 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 362 A C 2.095 179.589 177.584 -0.151 0.000 1.182 362 A CA 2.111 54.065 52.037 -0.138 0.000 0.633 362 A CB -0.725 18.197 19.000 -0.130 0.000 0.819 362 A HN 0.510 nan 8.150 nan 0.000 0.448 363 N N -0.362 118.242 118.700 -0.160 0.000 2.142 363 N HA -0.086 4.654 4.740 -0.000 0.000 0.186 363 N C 1.804 177.175 175.510 -0.231 0.000 1.023 363 N CA 1.582 54.525 53.050 -0.178 0.000 0.852 363 N CB -0.263 38.138 38.487 -0.144 0.000 0.998 363 N HN 0.528 nan 8.380 nan 0.000 0.424 364 I N 1.682 122.114 120.570 -0.228 0.000 2.163 364 I HA -0.293 3.877 4.170 -0.000 0.000 0.243 364 I C 2.607 178.607 176.117 -0.195 0.000 1.085 364 I CA 1.212 62.370 61.300 -0.237 0.000 1.347 364 I CB -0.209 37.681 38.000 -0.184 0.000 1.044 364 I HN 0.121 nan 8.210 nan 0.000 0.408 365 K N 0.884 121.191 120.400 -0.156 0.000 2.001 365 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 365 K C 2.206 178.726 176.600 -0.132 0.000 1.050 365 K CA 1.919 58.130 56.287 -0.125 0.000 0.934 365 K CB -0.105 32.331 32.500 -0.106 0.000 0.718 365 K HN 0.185 nan 8.250 nan 0.000 0.443 366 M N 0.226 119.735 119.600 -0.151 0.000 2.254 366 M HA -0.087 4.393 4.480 -0.000 0.000 0.265 366 M C 1.869 178.068 176.300 -0.167 0.000 1.066 366 M CA 1.195 56.402 55.300 -0.154 0.000 1.123 366 M CB 0.094 32.584 32.600 -0.182 0.000 1.388 366 M HN 0.153 nan 8.290 nan 0.000 0.425 367 L N -0.462 120.638 121.223 -0.204 0.000 2.446 367 L HA 0.050 4.390 4.340 -0.000 0.000 0.219 367 L C 0.005 176.759 176.870 -0.193 0.000 1.116 367 L CA 0.077 54.789 54.840 -0.214 0.000 0.844 367 L CB -0.226 41.638 42.059 -0.324 0.000 0.970 367 L HN 0.278 nan 8.230 nan 0.000 0.457 368 E N 1.650 121.739 120.200 -0.185 0.000 2.291 368 E HA -0.210 4.139 4.350 -0.000 0.000 0.181 368 E C -0.420 176.081 176.600 -0.165 0.000 1.480 368 E CA 0.314 56.628 56.400 -0.145 0.000 0.674 368 E CB -1.644 28.000 29.700 -0.093 0.000 1.108 368 E HN 0.580 nan 8.360 nan 0.000 0.357 369 I N -2.746 117.675 120.570 -0.249 0.000 2.910 369 I HA 0.506 4.676 4.170 -0.000 0.000 0.310 369 I C 0.342 176.348 176.117 -0.185 0.000 1.043 369 I CA -1.257 59.875 61.300 -0.278 0.000 1.053 369 I CB 1.413 39.015 38.000 -0.664 0.000 1.242 369 I HN -0.190 nan 8.210 nan 0.000 0.452 370 D N 3.920 124.258 120.400 -0.104 0.000 2.346 370 D HA 0.209 4.849 4.640 -0.000 0.000 0.260 370 D C -1.740 174.535 176.300 -0.041 0.000 1.252 370 D CA -2.052 51.924 54.000 -0.040 0.000 0.895 370 D CB 1.374 42.186 40.800 0.021 0.000 1.097 370 D HN 0.280 nan 8.370 nan 0.000 0.489 371 P HA -0.162 nan 4.420 nan 0.000 0.217 371 P C 1.094 178.420 177.300 0.043 0.000 1.148 371 P CA 0.948 64.051 63.100 0.005 0.000 0.828 371 P CB 0.244 31.957 31.700 0.021 0.000 0.783 372 Q N -0.480 119.343 119.800 0.038 0.000 2.439 372 Q HA -0.105 4.235 4.340 -0.000 0.000 0.211 372 Q C 1.462 177.507 176.000 0.076 0.000 0.978 372 Q CA 1.187 57.019 55.803 0.048 0.000 0.897 372 Q CB -0.454 28.306 28.738 0.037 0.000 0.956 372 Q HN 0.421 nan 8.270 nan 0.000 0.483 373 K N -0.053 120.409 120.400 0.102 0.000 2.358 373 K HA 0.167 4.487 4.320 -0.000 0.000 0.197 373 K C -0.213 176.531 176.600 0.240 0.000 1.025 373 K CA -0.024 56.371 56.287 0.180 0.000 1.104 373 K CB 1.115 33.770 32.500 0.260 0.000 0.855 373 K HN -0.081 nan 8.250 nan 0.000 0.531 374 V N 2.750 122.764 119.914 0.166 0.000 2.394 374 V HA 0.125 4.245 4.120 -0.000 0.000 0.282 374 V C -0.099 176.106 176.094 0.185 0.000 1.031 374 V CA -0.967 61.447 62.300 0.190 0.000 0.881 374 V CB 1.169 33.053 31.823 0.101 0.000 0.982 374 V HN 0.407 nan 8.190 nan 0.000 0.451 375 N N 3.316 122.136 118.700 0.200 0.000 2.714 375 N HA -0.176 4.564 4.740 -0.000 0.000 0.253 375 N C 0.900 176.475 175.510 0.107 0.000 1.024 375 N CA 0.338 53.484 53.050 0.161 0.000 0.726 375 N CB -0.533 38.069 38.487 0.190 0.000 0.908 375 N HN 0.571 nan 8.380 nan 0.000 0.542 376 I N 0.011 120.655 120.570 0.123 0.000 2.194 376 I HA -0.214 3.956 4.170 -0.000 0.000 0.246 376 I C 1.381 177.528 176.117 0.050 0.000 1.093 376 I CA 1.514 62.866 61.300 0.086 0.000 1.355 376 I CB -0.383 37.675 38.000 0.097 0.000 1.046 376 I HN 0.289 nan 8.210 nan 0.000 0.413 377 N N 0.966 119.707 118.700 0.068 0.000 2.458 377 N HA 0.337 5.077 4.740 -0.000 0.000 0.274 377 N C 0.676 176.188 175.510 0.003 0.000 1.242 377 N CA 0.704 53.756 53.050 0.004 0.000 0.904 377 N CB 1.061 39.532 38.487 -0.026 0.000 1.206 377 N HN 0.437 nan 8.380 nan 0.000 0.510 378 G N -0.853 107.939 108.800 -0.013 0.000 2.631 378 G HA2 0.178 4.138 3.960 -0.000 0.000 0.504 378 G HA3 0.178 4.138 3.960 -0.000 0.000 0.504 378 G C -0.294 174.584 174.900 -0.037 0.000 1.306 378 G CA -0.566 44.513 45.100 -0.035 0.000 0.897 378 G HN 0.577 nan 8.290 nan 0.000 0.520 379 G N -2.932 105.837 108.800 -0.051 0.000 2.570 379 G HA2 0.750 4.710 3.960 -0.000 0.000 0.310 379 G HA3 0.750 4.710 3.960 -0.000 0.000 0.310 379 G C 0.930 175.793 174.900 -0.062 0.000 1.266 379 G CA 1.176 46.254 45.100 -0.036 0.000 0.825 379 G HN 2.128 nan 8.290 nan 0.000 0.483 380 A N -0.814 121.962 122.820 -0.073 0.000 2.067 380 A HA 0.236 4.556 4.320 -0.000 0.000 0.219 380 A C 2.337 179.870 177.584 -0.086 0.000 1.158 380 A CA 2.207 54.183 52.037 -0.101 0.000 0.661 380 A CB -0.426 18.417 19.000 -0.261 0.000 0.801 380 A HN 0.895 nan 8.150 nan 0.000 0.452 381 V N 0.462 120.324 119.914 -0.087 0.000 2.548 381 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 381 V C 2.691 178.623 176.094 -0.270 0.000 1.055 381 V CA 2.271 64.514 62.300 -0.093 0.000 1.065 381 V CB -0.248 31.576 31.823 0.002 0.000 0.681 381 V HN 0.795 nan 8.190 nan 0.000 0.462 382 S N -1.502 113.960 115.700 -0.397 0.000 2.514 382 S HA 0.207 4.677 4.470 -0.000 0.000 0.223 382 S C 1.621 176.165 174.600 -0.094 0.000 1.046 382 S CA 0.079 57.913 58.200 -0.609 0.000 0.914 382 S CB -0.001 62.729 63.200 -0.782 0.000 0.807 382 S HN 0.430 nan 8.310 nan 0.000 0.497 383 L N 1.433 122.635 121.223 -0.035 0.000 2.477 383 L HA 0.411 4.751 4.340 -0.000 0.000 0.220 383 L C 1.280 178.186 176.870 0.059 0.000 1.106 383 L CA 0.430 55.307 54.840 0.063 0.000 0.851 383 L CB -0.492 41.585 42.059 0.030 0.000 0.994 383 L HN 0.626 nan 8.230 nan 0.000 0.462 384 G N -0.164 108.660 108.800 0.039 0.000 2.663 384 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 384 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 384 G C -1.027 173.940 174.900 0.111 0.000 1.288 384 G CA -0.688 44.455 45.100 0.072 0.000 0.836 384 G HN 0.278 nan 8.290 nan 0.000 0.584 385 H N 0.957 120.015 119.070 -0.019 0.000 2.490 385 H HA 0.541 5.097 4.556 0.000 0.000 0.230 385 H C -2.598 172.714 175.328 -0.027 0.000 1.417 385 H CA -2.068 53.958 56.048 -0.036 0.000 1.449 385 H CB 0.970 30.684 29.762 -0.079 0.000 1.649 385 H HN 0.368 nan 8.280 nan 0.000 0.519 386 P HA 0.062 nan 4.420 nan 0.000 0.274 386 P C 1.726 178.955 177.300 -0.119 0.000 1.291 386 P CA -0.116 62.955 63.100 -0.049 0.000 0.815 386 P CB 0.084 31.792 31.700 0.014 0.000 0.897 387 I N 1.051 121.444 120.570 -0.297 0.000 2.264 387 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 387 I C 1.735 177.783 176.117 -0.114 0.000 1.111 387 I CA 1.935 62.995 61.300 -0.401 0.000 1.382 387 I CB -1.141 36.584 38.000 -0.460 0.000 1.060 387 I HN 0.241 nan 8.210 nan 0.000 0.418 388 G N 0.785 109.543 108.800 -0.071 0.000 2.572 388 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 388 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 388 G C 1.636 176.543 174.900 0.011 0.000 1.133 388 G CA 0.476 45.562 45.100 -0.023 0.000 0.791 388 G HN 0.410 nan 8.290 nan 0.000 0.538 389 M N 0.501 120.114 119.600 0.022 0.000 2.447 389 M HA 0.079 4.559 4.480 -0.000 0.000 0.266 389 M C 2.328 178.671 176.300 0.072 0.000 1.120 389 M CA 0.817 56.144 55.300 0.045 0.000 1.166 389 M CB -0.169 32.456 32.600 0.041 0.000 1.349 389 M HN 0.154 nan 8.290 nan 0.000 0.463 390 S N 1.081 116.850 115.700 0.115 0.000 2.383 390 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 390 S C 1.885 176.537 174.600 0.088 0.000 1.030 390 S CA 1.499 59.777 58.200 0.129 0.000 1.002 390 S CB -0.964 62.374 63.200 0.230 0.000 0.829 390 S HN 0.749 nan 8.310 nan 0.000 0.467 391 G N 1.066 109.918 108.800 0.086 0.000 2.450 391 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.220 391 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.220 391 G C 1.463 176.395 174.900 0.055 0.000 1.130 391 G CA 0.940 46.079 45.100 0.065 0.000 0.760 391 G HN 0.599 nan 8.290 nan 0.000 0.557 392 A N 0.368 123.220 122.820 0.053 0.000 1.935 392 A HA 0.172 4.492 4.320 -0.000 0.000 0.214 392 A C 2.266 179.891 177.584 0.068 0.000 1.178 392 A CA 1.466 53.534 52.037 0.051 0.000 0.640 392 A CB -0.374 18.653 19.000 0.045 0.000 0.825 392 A HN 0.336 nan 8.150 nan 0.000 0.447 393 R N 0.672 121.216 120.500 0.074 0.000 2.080 393 R HA -0.171 4.169 4.340 -0.000 0.000 0.236 393 R C 2.115 178.487 176.300 0.121 0.000 1.137 393 R CA 2.203 58.356 56.100 0.087 0.000 0.943 393 R CB -0.617 29.720 30.300 0.063 0.000 0.846 393 R HN 0.681 nan 8.270 nan 0.000 0.431 394 I N -1.705 118.928 120.570 0.105 0.000 2.315 394 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 394 I C 1.912 178.114 176.117 0.142 0.000 1.117 394 I CA 1.031 62.411 61.300 0.134 0.000 1.404 394 I CB -0.429 37.630 38.000 0.100 0.000 1.071 394 I HN -0.057 nan 8.210 nan 0.000 0.419 395 V N 2.489 122.461 119.914 0.096 0.000 2.343 395 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 395 V C 2.889 179.022 176.094 0.064 0.000 1.051 395 V CA 2.195 64.534 62.300 0.066 0.000 1.036 395 V CB -1.527 30.320 31.823 0.040 0.000 0.654 395 V HN 0.652 nan 8.190 nan 0.000 0.451 396 G N -1.206 107.653 108.800 0.098 0.000 2.432 396 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 396 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 396 G C 1.455 176.475 174.900 0.200 0.000 1.135 396 G CA 1.160 46.331 45.100 0.119 0.000 0.767 396 G HN 0.634 nan 8.290 nan 0.000 0.550 397 H N 0.337 119.489 119.070 0.136 0.000 2.363 397 H HA 0.168 4.724 4.556 0.000 0.000 0.301 397 H C 2.526 177.915 175.328 0.101 0.000 1.074 397 H CA 1.020 57.166 56.048 0.164 0.000 1.354 397 H CB -0.206 29.648 29.762 0.153 0.000 1.397 397 H HN 0.246 nan 8.280 nan 0.000 0.516 398 L N -0.509 120.714 121.223 -0.000 0.000 2.079 398 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 398 L C 2.353 179.145 176.870 -0.130 0.000 1.081 398 L CA 1.704 56.498 54.840 -0.077 0.000 0.752 398 L CB -0.583 41.466 42.059 -0.016 0.000 0.896 398 L HN 0.345 nan 8.230 nan 0.000 0.433 399 T N -1.992 112.483 114.554 -0.132 0.000 2.788 399 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 399 T C 1.649 176.169 174.700 -0.299 0.000 1.044 399 T CA 1.624 63.590 62.100 -0.222 0.000 1.139 399 T CB -0.280 68.418 68.868 -0.283 0.000 0.867 399 T HN 0.475 nan 8.240 nan 0.000 0.454 400 H N 0.215 119.202 119.070 -0.138 0.000 2.431 400 H HA 0.405 4.961 4.556 -0.000 0.000 0.295 400 H C 2.445 177.645 175.328 -0.214 0.000 1.038 400 H CA 0.861 56.817 56.048 -0.153 0.000 1.360 400 H CB -0.067 29.621 29.762 -0.123 0.000 1.433 400 H HN 0.349 nan 8.280 nan 0.000 0.536 401 A N 1.077 123.763 122.820 -0.224 0.000 1.897 401 A HA 0.036 4.356 4.320 -0.000 0.000 0.215 401 A C 0.977 178.476 177.584 -0.142 0.000 1.181 401 A CA 0.230 52.120 52.037 -0.245 0.000 0.620 401 A CB -0.634 18.130 19.000 -0.394 0.000 0.821 401 A HN 0.178 nan 8.150 nan 0.000 0.443 402 L N 0.733 121.878 121.223 -0.129 0.000 2.506 402 L HA 0.021 4.361 4.340 -0.000 0.000 0.281 402 L C 0.461 177.277 176.870 -0.091 0.000 1.228 402 L CA 0.167 54.948 54.840 -0.098 0.000 0.850 402 L CB 0.280 42.278 42.059 -0.101 0.000 1.110 402 L HN 0.269 nan 8.230 nan 0.000 0.496 403 K N 2.008 122.360 120.400 -0.080 0.000 2.118 403 K HA 0.151 4.471 4.320 -0.000 0.000 0.264 403 K C -0.250 176.296 176.600 -0.089 0.000 1.000 403 K CA -0.686 55.556 56.287 -0.074 0.000 0.929 403 K CB 0.954 33.418 32.500 -0.060 0.000 1.021 403 K HN 0.498 nan 8.250 nan 0.000 0.463 404 Q N 0.509 120.260 119.800 -0.082 0.000 2.618 404 Q HA -0.167 4.173 4.340 -0.000 0.000 0.344 404 Q C 0.670 176.602 176.000 -0.115 0.000 1.073 404 Q CA 1.531 57.279 55.803 -0.092 0.000 1.105 404 Q CB -0.147 28.548 28.738 -0.071 0.000 1.028 404 Q HN 0.872 nan 8.270 nan 0.000 0.397 405 G N 3.019 111.726 108.800 -0.155 0.000 2.234 405 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 405 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 405 G C -0.174 174.537 174.900 -0.316 0.000 0.987 405 G CA 0.329 45.300 45.100 -0.216 0.000 0.625 405 G HN 0.674 nan 8.290 nan 0.000 0.532 406 E N -0.222 119.836 120.200 -0.236 0.000 2.383 406 E HA 0.409 4.759 4.350 -0.000 0.000 0.264 406 E C -0.553 175.868 176.600 -0.299 0.000 1.050 406 E CA -0.272 55.999 56.400 -0.215 0.000 0.896 406 E CB 0.478 30.112 29.700 -0.109 0.000 0.982 406 E HN 0.339 nan 8.360 nan 0.000 0.424 407 Y N 0.014 120.262 120.300 -0.087 0.000 2.320 407 Y HA 0.415 4.965 4.550 -0.000 0.000 0.334 407 Y C 0.798 176.598 175.900 -0.167 0.000 1.055 407 Y CA -0.370 57.657 58.100 -0.121 0.000 1.143 407 Y CB 1.833 40.212 38.460 -0.134 0.000 1.193 407 Y HN 0.479 nan 8.280 nan 0.000 0.477 408 G N 3.501 112.302 108.800 0.001 0.000 2.461 408 G HA2 0.603 4.563 3.960 -0.000 0.000 0.323 408 G HA3 0.603 4.563 3.960 -0.000 0.000 0.323 408 G C -1.928 172.869 174.900 -0.172 0.000 1.229 408 G CA -0.727 44.307 45.100 -0.109 0.000 0.941 408 G HN 0.625 nan 8.290 nan 0.000 0.477 409 L N 1.968 122.988 121.223 -0.338 0.000 2.349 409 L HA 0.768 5.108 4.340 -0.000 0.000 0.278 409 L C 0.139 176.947 176.870 -0.104 0.000 0.996 409 L CA -0.755 53.890 54.840 -0.324 0.000 0.825 409 L CB 1.654 43.270 42.059 -0.739 0.000 1.243 409 L HN 0.627 nan 8.230 nan 0.000 0.412 410 A N 3.288 126.108 122.820 -0.000 0.000 2.318 410 A HA 0.813 5.133 4.320 -0.000 0.000 0.324 410 A C -0.555 177.091 177.584 0.103 0.000 1.170 410 A CA -0.322 51.761 52.037 0.078 0.000 0.810 410 A CB 1.378 20.421 19.000 0.072 0.000 1.198 410 A HN 0.672 nan 8.150 nan 0.000 0.484 411 S N 1.372 117.153 115.700 0.136 0.000 2.569 411 S HA 0.826 5.296 4.470 -0.000 0.000 0.280 411 S C -0.822 173.845 174.600 0.111 0.000 1.111 411 S CA -0.578 57.701 58.200 0.132 0.000 0.887 411 S CB 1.471 64.771 63.200 0.166 0.000 1.095 411 S HN 1.371 nan 8.310 nan 0.000 0.476 412 I N 1.786 122.419 120.570 0.105 0.000 2.627 412 I HA 0.416 4.586 4.170 -0.000 0.000 0.288 412 I C -0.342 175.845 176.117 0.117 0.000 1.202 412 I CA -0.679 60.678 61.300 0.095 0.000 1.050 412 I CB 1.017 39.063 38.000 0.078 0.000 1.264 412 I HN 1.232 nan 8.210 nan 0.000 0.429 413 C N 5.449 124.838 119.300 0.148 0.000 2.649 413 C HA 0.653 5.113 4.460 -0.000 0.000 0.377 413 C C -0.164 174.915 174.990 0.147 0.000 1.321 413 C CA -0.253 58.889 59.018 0.208 0.000 2.368 413 C CB 0.325 28.289 27.740 0.374 0.000 2.597 413 C HN 0.890 nan 8.230 nan 0.000 0.678 414 N N 0.421 119.188 118.700 0.111 0.000 2.331 414 N HA 0.405 5.145 4.740 -0.000 0.000 0.280 414 N C -0.322 175.124 175.510 -0.107 0.000 1.155 414 N CA -0.253 52.794 53.050 -0.005 0.000 0.822 414 N CB 1.664 40.162 38.487 0.018 0.000 1.619 414 N HN 1.112 nan 8.380 nan 0.000 0.476 415 G N -0.784 107.881 108.800 -0.225 0.000 2.368 415 G HA2 0.327 4.287 3.960 -0.000 0.000 0.233 415 G HA3 0.327 4.287 3.960 -0.000 0.000 0.233 415 G C 1.177 176.044 174.900 -0.053 0.000 1.267 415 G CA 0.631 45.583 45.100 -0.247 0.000 0.873 415 G HN 1.431 nan 8.290 nan 0.000 0.539 416 G N 0.131 108.955 108.800 0.039 0.000 2.232 416 G HA2 0.238 4.198 3.960 -0.000 0.000 0.226 416 G HA3 0.238 4.198 3.960 -0.000 0.000 0.226 416 G C 1.334 176.316 174.900 0.137 0.000 0.996 416 G CA 0.878 46.075 45.100 0.162 0.000 0.626 416 G HN 2.716 nan 8.290 nan 0.000 0.509 417 G N -0.780 108.115 108.800 0.158 0.000 2.145 417 G HA2 0.399 4.359 3.960 -0.000 0.000 0.176 417 G HA3 0.399 4.359 3.960 -0.000 0.000 0.176 417 G C 0.948 175.937 174.900 0.149 0.000 1.013 417 G CA 0.804 46.022 45.100 0.196 0.000 0.689 417 G HN 2.021 nan 8.290 nan 0.000 0.506 418 G N -1.142 107.740 108.800 0.137 0.000 2.597 418 G HA2 1.092 5.052 3.960 -0.000 0.000 0.317 418 G HA3 1.092 5.052 3.960 -0.000 0.000 0.317 418 G C -0.269 174.713 174.900 0.137 0.000 1.230 418 G CA -0.031 45.136 45.100 0.111 0.000 0.996 418 G HN 1.720 nan 8.290 nan 0.000 0.490 419 A N -0.578 122.315 122.820 0.120 0.000 2.604 419 A HA 0.797 5.117 4.320 -0.000 0.000 0.295 419 A C -0.491 177.157 177.584 0.107 0.000 1.067 419 A CA -0.482 51.629 52.037 0.124 0.000 0.683 419 A CB 1.428 20.516 19.000 0.147 0.000 1.281 419 A HN 0.957 nan 8.150 nan 0.000 0.407 420 S N -0.396 115.363 115.700 0.099 0.000 2.578 420 S HA 0.900 5.370 4.470 -0.000 0.000 0.301 420 S C -0.178 174.487 174.600 0.109 0.000 1.091 420 S CA 0.047 58.305 58.200 0.096 0.000 1.032 420 S CB 1.748 64.989 63.200 0.068 0.000 1.064 420 S HN 1.874 nan 8.310 nan 0.000 0.508 421 A N 2.054 124.949 122.820 0.124 0.000 2.515 421 A HA 0.853 5.173 4.320 -0.000 0.000 0.298 421 A C -1.100 176.571 177.584 0.146 0.000 1.059 421 A CA -0.641 51.470 52.037 0.123 0.000 0.698 421 A CB 1.546 20.618 19.000 0.120 0.000 1.289 421 A HN 0.818 nan 8.150 nan 0.000 0.404 422 M N 2.162 121.831 119.600 0.115 0.000 2.386 422 M HA 0.676 5.156 4.480 -0.000 0.000 0.293 422 M C -2.270 174.068 176.300 0.064 0.000 1.120 422 M CA -0.878 54.506 55.300 0.141 0.000 0.909 422 M CB 1.813 34.485 32.600 0.120 0.000 1.661 422 M HN 0.753 nan 8.290 nan 0.000 0.452 423 L N 7.080 128.341 121.223 0.063 0.000 2.313 423 L HA 0.788 5.128 4.340 -0.000 0.000 0.283 423 L C -1.262 175.644 176.870 0.059 0.000 1.013 423 L CA -0.408 54.434 54.840 0.004 0.000 0.816 423 L CB 1.444 43.470 42.059 -0.056 0.000 1.236 423 L HN 0.750 nan 8.230 nan 0.000 0.419 424 I N 1.299 121.904 120.570 0.058 0.000 2.892 424 I HA 0.652 4.822 4.170 -0.000 0.000 0.306 424 I C -1.164 175.005 176.117 0.086 0.000 1.078 424 I CA -0.766 60.572 61.300 0.065 0.000 1.032 424 I CB 2.096 40.108 38.000 0.019 0.000 1.229 424 I HN 0.759 nan 8.210 nan 0.000 0.435 425 Q N 3.082 122.891 119.800 0.016 0.000 2.321 425 Q HA 0.380 4.720 4.340 -0.000 0.000 0.270 425 Q C -1.082 174.833 176.000 -0.142 0.000 1.032 425 Q CA -0.965 54.754 55.803 -0.140 0.000 0.784 425 Q CB 2.026 30.601 28.738 -0.272 0.000 1.264 425 Q HN 0.633 nan 8.270 nan 0.000 0.448 426 K N 2.724 123.024 120.400 -0.166 0.000 2.448 426 K HA 0.127 4.447 4.320 -0.000 0.000 0.278 426 K C -0.740 175.782 176.600 -0.131 0.000 1.009 426 K CA -0.017 56.190 56.287 -0.135 0.000 0.995 426 K CB 0.309 32.731 32.500 -0.130 0.000 0.917 426 K HN 0.454 nan 8.250 nan 0.000 0.481 427 L N 0.000 121.163 121.223 -0.100 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.790 54.840 -0.084 0.000 0.813 427 L CB 0.000 42.020 42.059 -0.066 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502