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 3epi_1_A DATA FIRST_RESID 25 DATA SEQUENCE ASSRVIVHVD LDCFYAQVEM ISNPELKDKP LGVQQKYLVV TCNYEARKLG DATA SEQUENCE VKKLMNVRDA KEKCPQLVLV NGEDLTRYRE MSYKVTELLE EFSPVVERLG DATA SEQUENCE FDENFVDLTE MVEKRLQQLQ SDELSAVTVS GHVYNNQSIN LLDVLHIRLL DATA SEQUENCE VGSQIAAEMR EAMYNQLGLT GCAGVASNKL LAKLVSGVFK PNQQTVLLPE DATA SEQUENCE SCQHLIHSLN HIKEIPGIGY KTAKCLEALG INSVRDLQTF SPKILEKELG DATA SEQUENCE ISVAQRIQKL SFGEDNSPVI LSGPPQSFSE EDSFKKCSSE VEAKNKIEEL DATA SEQUENCE LASLLNRVCQ DGRKPHTVRL IIRRYSXXXX XGRESRQCPI PSHVIQKXXX DATA SEQUENCE XXXDVMTPMV DILMKLFRNM VNXXXXXXLT LLSVCFCNLK 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.589 177.584 0.009 0.000 1.274 25 A CA 0.000 52.041 52.037 0.006 0.000 0.836 25 A CB 0.000 19.004 19.000 0.006 0.000 0.831 26 S N -1.300 114.406 115.700 0.010 0.000 2.692 26 S HA 0.440 4.920 4.470 0.016 0.000 0.269 26 S C 0.493 175.099 174.600 0.010 0.000 1.080 26 S CA 0.739 58.944 58.200 0.008 0.000 1.058 26 S CB 0.202 63.405 63.200 0.006 0.000 0.982 26 S HN 0.665 nan 8.310 nan 0.000 0.534 27 S N 1.271 116.980 115.700 0.015 0.000 2.549 27 S HA 0.693 5.173 4.470 0.016 0.000 0.297 27 S C -0.587 174.025 174.600 0.021 0.000 1.115 27 S CA -0.704 57.507 58.200 0.019 0.000 1.059 27 S CB 0.954 64.169 63.200 0.025 0.000 1.046 27 S HN 0.360 nan 8.310 nan 0.000 0.506 28 R N 1.409 121.922 120.500 0.022 0.000 2.854 28 R HA 0.717 5.067 4.340 0.016 0.000 0.271 28 R C -1.496 174.822 176.300 0.031 0.000 0.996 28 R CA -0.891 55.224 56.100 0.025 0.000 0.961 28 R CB 1.809 32.122 30.300 0.021 0.000 1.182 28 R HN 0.392 nan 8.270 nan 0.000 0.479 29 V N 3.713 123.647 119.914 0.035 0.000 2.407 29 V HA 0.435 4.565 4.120 0.016 0.000 0.291 29 V C -0.523 175.600 176.094 0.048 0.000 1.018 29 V CA -0.662 61.661 62.300 0.038 0.000 0.842 29 V CB 1.593 33.437 31.823 0.034 0.000 0.996 29 V HN 0.521 nan 8.190 nan 0.000 0.426 30 I N 5.096 125.703 120.570 0.061 0.000 2.509 30 I HA 0.506 4.686 4.170 0.016 0.000 0.293 30 I C -0.344 175.831 176.117 0.097 0.000 1.020 30 I CA -0.728 60.630 61.300 0.097 0.000 1.088 30 I CB 2.025 40.103 38.000 0.130 0.000 1.267 30 I HN 0.360 nan 8.210 nan 0.000 0.430 31 V N 6.384 126.350 119.914 0.087 0.000 2.513 31 V HA 0.413 4.543 4.120 0.016 0.000 0.299 31 V C -0.592 175.522 176.094 0.034 0.000 1.035 31 V CA -0.397 61.925 62.300 0.037 0.000 0.889 31 V CB 1.825 33.624 31.823 -0.040 0.000 0.988 31 V HN 0.776 nan 8.190 nan 0.000 0.440 32 H N 6.185 125.167 119.070 -0.147 0.000 2.595 32 H HA 0.494 5.059 4.556 0.015 0.000 0.313 32 H C -1.231 173.924 175.328 -0.288 0.000 1.023 32 H CA -0.505 55.313 56.048 -0.383 0.000 1.218 32 H CB 1.611 31.095 29.762 -0.464 0.000 1.403 32 H HN 0.509 nan 8.280 nan 0.000 0.477 33 V N 5.428 124.963 119.914 -0.631 0.000 2.546 33 V HA 0.105 4.235 4.120 0.016 0.000 0.284 33 V C 0.254 175.907 176.094 -0.735 0.000 1.050 33 V CA -0.157 61.833 62.300 -0.517 0.000 0.981 33 V CB 1.415 33.036 31.823 -0.338 0.000 0.990 33 V HN 0.764 nan 8.190 nan 0.000 0.474 34 D N 3.884 124.010 120.400 -0.456 0.000 2.763 34 D HA 0.383 5.033 4.640 0.016 0.000 0.235 34 D C -1.008 175.192 176.300 -0.168 0.000 1.334 34 D CA -0.476 53.320 54.000 -0.339 0.000 0.950 34 D CB 1.573 42.248 40.800 -0.209 0.000 1.433 34 D HN 0.220 nan 8.370 nan 0.000 0.580 35 L N 2.682 123.808 121.223 -0.163 0.000 2.417 35 L HA 0.282 4.631 4.340 0.016 0.000 0.268 35 L C 0.532 177.425 176.870 0.039 0.000 1.158 35 L CA -0.128 54.676 54.840 -0.060 0.000 0.819 35 L CB 0.634 42.637 42.059 -0.093 0.000 1.112 35 L HN 0.295 nan 8.230 nan 0.000 0.458 36 D N 1.587 122.044 120.400 0.095 0.000 2.339 36 D HA 0.095 4.745 4.640 0.016 0.000 0.256 36 D C 0.659 177.083 176.300 0.205 0.000 1.214 36 D CA 0.092 54.184 54.000 0.153 0.000 0.877 36 D CB 0.457 41.325 40.800 0.112 0.000 1.111 36 D HN 0.858 nan 8.370 nan 0.000 0.478 37 C N 2.414 121.823 119.300 0.183 0.000 3.409 37 C HA -0.245 4.225 4.460 0.016 0.000 0.273 37 C C 1.727 176.797 174.990 0.133 0.000 1.375 37 C CA -0.929 58.157 59.018 0.113 0.000 2.175 37 C CB -3.106 24.710 27.740 0.128 0.000 1.410 37 C HN 0.660 nan 8.230 nan 0.000 0.550 38 F N 1.817 121.739 119.950 -0.046 0.000 2.027 38 F HA -0.135 4.401 4.527 0.015 0.000 0.297 38 F C 2.224 178.078 175.800 0.091 0.000 1.129 38 F CA 2.579 60.591 58.000 0.019 0.000 1.195 38 F CB -0.724 38.282 39.000 0.010 0.000 0.960 38 F HN 0.506 nan 8.300 nan 0.000 0.485 39 Y N 0.423 120.490 120.300 -0.389 0.000 2.165 39 Y HA -0.116 4.444 4.550 0.017 0.000 0.286 39 Y C 2.712 178.449 175.900 -0.273 0.000 1.155 39 Y CA 0.660 58.334 58.100 -0.711 0.000 1.164 39 Y CB -1.919 35.995 38.460 -0.910 0.000 0.978 39 Y HN 0.191 nan 8.280 nan 0.000 0.513 40 A N 0.036 122.871 122.820 0.024 0.000 1.908 40 A HA -0.267 4.063 4.320 0.016 0.000 0.218 40 A C 2.263 179.883 177.584 0.060 0.000 1.181 40 A CA 1.871 53.939 52.037 0.052 0.000 0.627 40 A CB -0.848 18.182 19.000 0.050 0.000 0.818 40 A HN 0.515 nan 8.150 nan 0.000 0.445 41 Q N -0.620 119.217 119.800 0.062 0.000 2.096 41 Q HA -0.149 4.201 4.340 0.016 0.000 0.204 41 Q C 2.195 178.222 176.000 0.045 0.000 0.982 41 Q CA 1.850 57.702 55.803 0.082 0.000 0.850 41 Q CB -0.340 28.486 28.738 0.146 0.000 0.901 41 Q HN 0.528 nan 8.270 nan 0.000 0.422 42 V N 1.253 121.153 119.914 -0.023 0.000 2.407 42 V HA -0.221 3.908 4.120 0.016 0.000 0.248 42 V C 2.112 178.242 176.094 0.060 0.000 1.055 42 V CA 1.612 63.913 62.300 0.001 0.000 1.049 42 V CB -0.440 31.383 31.823 0.000 0.000 0.662 42 V HN 0.309 nan 8.190 nan 0.000 0.455 43 E N -0.333 119.924 120.200 0.095 0.000 2.072 43 E HA -0.157 4.203 4.350 0.016 0.000 0.191 43 E C 2.149 178.782 176.600 0.055 0.000 0.985 43 E CA 1.302 57.752 56.400 0.084 0.000 0.801 43 E CB -0.288 29.473 29.700 0.102 0.000 0.750 43 E HN 0.555 nan 8.360 nan 0.000 0.452 44 M N 0.032 119.666 119.600 0.057 0.000 2.229 44 M HA -0.055 4.435 4.480 0.016 0.000 0.264 44 M C 2.248 178.574 176.300 0.043 0.000 1.063 44 M CA 0.892 56.224 55.300 0.052 0.000 1.114 44 M CB -0.125 32.513 32.600 0.064 0.000 1.387 44 M HN 0.019 nan 8.290 nan 0.000 0.420 45 I N -0.913 119.682 120.570 0.041 0.000 2.315 45 I HA -0.246 3.934 4.170 0.016 0.000 0.248 45 I C 2.446 178.573 176.117 0.017 0.000 1.117 45 I CA 0.978 62.294 61.300 0.027 0.000 1.404 45 I CB -0.220 37.795 38.000 0.025 0.000 1.071 45 I HN 0.183 nan 8.210 nan 0.000 0.419 46 S N 0.198 115.908 115.700 0.017 0.000 2.345 46 S HA -0.085 4.395 4.470 0.016 0.000 0.220 46 S C 1.121 175.726 174.600 0.009 0.000 1.031 46 S CA 1.113 59.316 58.200 0.006 0.000 0.996 46 S CB -0.142 63.057 63.200 -0.001 0.000 0.882 46 S HN 0.308 nan 8.310 nan 0.000 0.445 47 N N 0.836 119.546 118.700 0.017 0.000 2.706 47 N HA 0.286 5.036 4.740 0.016 0.000 0.240 47 N C -2.214 173.310 175.510 0.023 0.000 1.039 47 N CA -2.205 50.856 53.050 0.018 0.000 0.888 47 N CB 1.493 39.991 38.487 0.018 0.000 1.128 47 N HN 0.006 nan 8.380 nan 0.000 0.512 48 P HA -0.195 nan 4.420 nan 0.000 0.217 48 P C 0.743 178.059 177.300 0.027 0.000 1.148 48 P CA 1.230 64.345 63.100 0.025 0.000 0.834 48 P CB 0.606 32.319 31.700 0.020 0.000 0.783 49 E N -0.415 119.799 120.200 0.023 0.000 2.171 49 E HA -0.150 4.210 4.350 0.016 0.000 0.197 49 E C 2.096 178.711 176.600 0.026 0.000 0.997 49 E CA 0.826 57.239 56.400 0.022 0.000 0.810 49 E CB -0.454 29.257 29.700 0.018 0.000 0.738 49 E HN 0.325 nan 8.360 nan 0.000 0.467 50 L N 0.751 121.992 121.223 0.029 0.000 2.156 50 L HA -0.050 4.300 4.340 0.016 0.000 0.208 50 L C 1.579 178.472 176.870 0.039 0.000 1.095 50 L CA 0.600 55.460 54.840 0.033 0.000 0.770 50 L CB -0.798 41.282 42.059 0.036 0.000 0.914 50 L HN -0.019 nan 8.230 nan 0.000 0.439 51 K N 1.323 121.748 120.400 0.042 0.000 2.524 51 K HA -0.031 4.299 4.320 0.016 0.000 0.279 51 K C 0.744 177.370 176.600 0.045 0.000 0.993 51 K CA 0.385 56.701 56.287 0.049 0.000 1.030 51 K CB -0.802 31.729 32.500 0.051 0.000 0.891 51 K HN 0.640 nan 8.250 nan 0.000 0.488 52 D N -0.383 120.047 120.400 0.050 0.000 2.701 52 D HA -0.209 4.441 4.640 0.016 0.000 0.235 52 D C -0.374 175.949 176.300 0.037 0.000 1.155 52 D CA 1.831 55.858 54.000 0.045 0.000 0.649 52 D CB -1.502 39.322 40.800 0.039 0.000 1.050 52 D HN 0.660 nan 8.370 nan 0.000 0.425 53 K N -0.840 119.582 120.400 0.037 0.000 2.502 53 K HA 0.504 4.834 4.320 0.016 0.000 0.257 53 K C -3.028 173.591 176.600 0.032 0.000 0.938 53 K CA -2.097 54.209 56.287 0.031 0.000 0.819 53 K CB 2.443 34.958 32.500 0.026 0.000 1.333 53 K HN -0.145 nan 8.250 nan 0.000 0.434 54 P HA 0.220 nan 4.420 nan 0.000 0.286 54 P C -1.121 176.190 177.300 0.018 0.000 1.321 54 P CA -0.439 62.674 63.100 0.022 0.000 0.790 54 P CB 0.437 32.145 31.700 0.014 0.000 0.897 55 L N 4.397 125.632 121.223 0.020 0.000 2.325 55 L HA 0.759 5.109 4.340 0.016 0.000 0.281 55 L C 0.046 176.924 176.870 0.013 0.000 1.004 55 L CA -0.194 54.660 54.840 0.023 0.000 0.823 55 L CB 1.364 43.446 42.059 0.037 0.000 1.236 55 L HN 0.395 nan 8.230 nan 0.000 0.415 56 G N 3.926 112.733 108.800 0.013 0.000 2.400 56 G HA2 0.584 4.554 3.960 0.016 0.000 0.333 56 G HA3 0.584 4.554 3.960 0.016 0.000 0.333 56 G C -1.433 173.484 174.900 0.029 0.000 1.143 56 G CA -0.548 44.556 45.100 0.006 0.000 0.914 56 G HN 0.433 nan 8.290 nan 0.000 0.480 57 V N 1.954 121.890 119.914 0.036 0.000 2.350 57 V HA 0.291 4.421 4.120 0.016 0.000 0.276 57 V C 0.235 176.369 176.094 0.067 0.000 1.028 57 V CA -0.546 61.801 62.300 0.078 0.000 0.860 57 V CB 1.304 33.204 31.823 0.128 0.000 0.990 57 V HN 0.767 nan 8.190 nan 0.000 0.453 58 Q N 4.764 124.606 119.800 0.070 0.000 2.390 58 Q HA 0.330 4.680 4.340 0.016 0.000 0.249 58 Q C -0.696 175.352 176.000 0.080 0.000 0.996 58 Q CA -0.336 55.501 55.803 0.057 0.000 0.899 58 Q CB 0.886 29.655 28.738 0.050 0.000 1.216 58 Q HN 0.710 nan 8.270 nan 0.000 0.465 59 Q N 3.687 123.532 119.800 0.076 0.000 2.340 59 Q HA 0.201 4.551 4.340 0.016 0.000 0.259 59 Q C -0.420 175.643 176.000 0.106 0.000 0.964 59 Q CA -0.317 55.542 55.803 0.093 0.000 0.900 59 Q CB 1.707 30.505 28.738 0.100 0.000 1.228 59 Q HN 0.688 nan 8.270 nan 0.000 0.449 60 K N 0.742 121.218 120.400 0.126 0.000 1.779 60 K HA -0.342 3.988 4.320 0.016 0.000 0.128 60 K C 0.271 177.004 176.600 0.223 0.000 1.288 60 K CA 2.360 58.757 56.287 0.183 0.000 0.398 60 K CB -1.069 31.587 32.500 0.260 0.000 0.609 60 K HN 0.805 nan 8.250 nan 0.000 0.874 61 Y N 0.731 121.043 120.300 0.019 0.000 2.596 61 Y HA 0.586 5.147 4.550 0.017 0.000 0.316 61 Y C -0.226 175.679 175.900 0.009 0.000 1.156 61 Y CA -0.872 57.236 58.100 0.014 0.000 1.300 61 Y CB 0.209 38.677 38.460 0.012 0.000 1.130 61 Y HN 0.124 nan 8.280 nan 0.000 0.518 62 L N 1.417 122.536 121.223 -0.173 0.000 2.409 62 L HA 0.401 4.750 4.340 0.016 0.000 0.272 62 L C -0.805 176.003 176.870 -0.103 0.000 0.980 62 L CA -1.245 53.437 54.840 -0.262 0.000 0.826 62 L CB 2.670 44.546 42.059 -0.305 0.000 1.268 62 L HN -0.081 nan 8.230 nan 0.000 0.407 63 V N 4.803 124.658 119.914 -0.098 0.000 2.341 63 V HA -0.024 4.106 4.120 0.016 0.000 0.248 63 V C 1.075 177.128 176.094 -0.069 0.000 1.107 63 V CA 0.284 62.549 62.300 -0.058 0.000 1.069 63 V CB 0.988 32.779 31.823 -0.054 0.000 1.177 63 V HN 0.689 nan 8.190 nan 0.000 0.492 64 V N 4.187 124.076 119.914 -0.042 0.000 2.453 64 V HA -0.014 4.116 4.120 0.016 0.000 0.247 64 V C 1.037 177.073 176.094 -0.097 0.000 1.048 64 V CA 2.326 64.590 62.300 -0.059 0.000 1.049 64 V CB 0.659 32.478 31.823 -0.006 0.000 0.672 64 V HN 0.886 nan 8.190 nan 0.000 0.457 65 T N -1.416 113.088 114.554 -0.083 0.000 2.802 65 T HA 0.564 4.924 4.350 0.016 0.000 0.311 65 T C -1.516 173.141 174.700 -0.071 0.000 1.405 65 T CA -0.017 62.015 62.100 -0.112 0.000 1.016 65 T CB 1.213 69.969 68.868 -0.187 0.000 1.352 65 T HN 0.687 nan 8.240 nan 0.000 0.498 66 C N 2.698 121.948 119.300 -0.085 0.000 3.285 66 C HA 0.880 5.350 4.460 0.016 0.000 0.325 66 C C -0.285 174.662 174.990 -0.072 0.000 1.304 66 C CA -1.195 57.786 59.018 -0.062 0.000 1.319 66 C CB 0.435 28.132 27.740 -0.071 0.000 1.640 66 C HN 1.065 nan 8.230 nan 0.000 0.477 67 N N -0.035 118.656 118.700 -0.016 0.000 2.347 67 N HA 0.226 4.976 4.740 0.016 0.000 0.253 67 N C 0.014 175.525 175.510 0.001 0.000 1.274 67 N CA -0.347 52.733 53.050 0.050 0.000 0.941 67 N CB 0.075 38.623 38.487 0.101 0.000 1.200 67 N HN 0.790 nan 8.380 nan 0.000 0.514 68 Y N -1.357 118.952 120.300 0.014 0.000 2.571 68 Y HA 0.010 4.570 4.550 0.018 0.000 0.294 68 Y C 1.419 177.325 175.900 0.011 0.000 1.141 68 Y CA 0.517 58.624 58.100 0.012 0.000 1.308 68 Y CB 0.148 38.617 38.460 0.015 0.000 1.002 68 Y HN 0.585 nan 8.280 nan 0.000 0.551 69 E N -0.178 120.094 120.200 0.120 0.000 2.158 69 E HA -0.086 4.273 4.350 0.016 0.000 0.191 69 E C 2.169 178.786 176.600 0.028 0.000 0.982 69 E CA 1.041 57.483 56.400 0.070 0.000 0.823 69 E CB -0.155 29.582 29.700 0.060 0.000 0.766 69 E HN 0.389 nan 8.360 nan 0.000 0.468 70 A N 0.329 123.150 122.820 0.002 0.000 1.997 70 A HA 0.045 4.375 4.320 0.016 0.000 0.212 70 A C 2.025 179.571 177.584 -0.065 0.000 1.178 70 A CA 0.356 52.377 52.037 -0.027 0.000 0.698 70 A CB 0.001 18.983 19.000 -0.029 0.000 0.842 70 A HN -0.044 nan 8.150 nan 0.000 0.458 71 R N 0.577 121.003 120.500 -0.123 0.000 2.070 71 R HA -0.053 4.297 4.340 0.016 0.000 0.232 71 R C 1.212 177.447 176.300 -0.109 0.000 1.138 71 R CA 1.293 57.272 56.100 -0.201 0.000 0.936 71 R CB -0.365 29.638 30.300 -0.494 0.000 0.839 71 R HN 0.233 nan 8.270 nan 0.000 0.429 72 K N 1.027 121.400 120.400 -0.046 0.000 2.574 72 K HA -0.085 4.245 4.320 0.016 0.000 0.193 72 K C 1.246 177.849 176.600 0.004 0.000 1.035 72 K CA 0.346 56.637 56.287 0.007 0.000 0.982 72 K CB -0.084 32.456 32.500 0.066 0.000 0.795 72 K HN 0.114 nan 8.250 nan 0.000 0.491 73 L N -0.903 120.314 121.223 -0.010 0.000 2.700 73 L HA 0.137 4.487 4.340 0.016 0.000 0.234 73 L C 1.030 177.889 176.870 -0.018 0.000 1.156 73 L CA 0.441 55.275 54.840 -0.009 0.000 0.946 73 L CB 0.692 42.748 42.059 -0.005 0.000 1.216 73 L HN 0.348 nan 8.230 nan 0.000 0.493 74 G N -1.479 107.303 108.800 -0.029 0.000 2.278 74 G HA2 -0.214 3.756 3.960 0.016 0.000 0.210 74 G HA3 -0.214 3.756 3.960 0.016 0.000 0.210 74 G C 0.200 175.072 174.900 -0.046 0.000 1.000 74 G CA -0.085 44.996 45.100 -0.033 0.000 0.635 74 G HN 0.002 nan 8.290 nan 0.000 0.495 75 V N 2.977 122.858 119.914 -0.055 0.000 2.637 75 V HA 0.439 4.569 4.120 0.016 0.000 0.296 75 V C 0.608 176.650 176.094 -0.087 0.000 1.046 75 V CA 0.083 62.344 62.300 -0.065 0.000 1.066 75 V CB 1.418 33.202 31.823 -0.064 0.000 0.968 75 V HN 0.281 nan 8.190 nan 0.000 0.483 76 K N 3.144 123.495 120.400 -0.082 0.000 2.258 76 K HA 0.508 4.837 4.320 0.016 0.000 0.236 76 K C -0.279 176.262 176.600 -0.098 0.000 1.008 76 K CA -1.012 55.220 56.287 -0.092 0.000 0.869 76 K CB 1.659 34.114 32.500 -0.075 0.000 1.171 76 K HN 0.515 nan 8.250 nan 0.000 0.447 77 K N 1.262 121.600 120.400 -0.104 0.000 2.382 77 K HA 0.103 4.433 4.320 0.016 0.000 0.275 77 K C 0.167 176.707 176.600 -0.099 0.000 1.009 77 K CA -0.008 56.215 56.287 -0.106 0.000 0.970 77 K CB 0.136 32.572 32.500 -0.106 0.000 0.934 77 K HN 0.473 nan 8.250 nan 0.000 0.479 78 L N 1.271 122.431 121.223 -0.106 0.000 3.795 78 L HA -0.246 4.104 4.340 0.016 0.000 0.489 78 L C -0.152 176.642 176.870 -0.126 0.000 1.259 78 L CA 0.208 54.976 54.840 -0.120 0.000 0.765 78 L CB -1.546 40.445 42.059 -0.114 0.000 1.519 78 L HN 0.722 nan 8.230 nan 0.000 0.842 79 M N 1.089 120.619 119.600 -0.117 0.000 2.363 79 M HA 0.408 4.897 4.480 0.016 0.000 0.343 79 M C 0.478 176.703 176.300 -0.125 0.000 1.165 79 M CA -0.379 54.858 55.300 -0.106 0.000 1.046 79 M CB 0.990 33.542 32.600 -0.080 0.000 1.648 79 M HN 0.171 nan 8.290 nan 0.000 0.452 80 N N 3.055 121.683 118.700 -0.120 0.000 2.357 80 N HA -0.047 4.703 4.740 0.016 0.000 0.257 80 N C 0.972 176.440 175.510 -0.071 0.000 1.250 80 N CA -0.025 52.954 53.050 -0.119 0.000 0.862 80 N CB 1.006 39.453 38.487 -0.066 0.000 1.066 80 N HN 0.572 nan 8.380 nan 0.000 0.468 81 V N 2.934 122.812 119.914 -0.061 0.000 2.317 81 V HA -0.287 3.843 4.120 0.016 0.000 0.251 81 V C 2.452 178.543 176.094 -0.006 0.000 1.065 81 V CA 1.881 64.168 62.300 -0.021 0.000 1.049 81 V CB -0.404 31.424 31.823 0.009 0.000 0.651 81 V HN 0.624 nan 8.190 nan 0.000 0.450 82 R N -0.006 120.495 120.500 0.003 0.000 2.093 82 R HA -0.077 4.273 4.340 0.016 0.000 0.224 82 R C 1.913 178.211 176.300 -0.003 0.000 1.101 82 R CA 1.422 57.526 56.100 0.007 0.000 0.979 82 R CB -0.678 29.633 30.300 0.019 0.000 0.877 82 R HN 0.493 nan 8.270 nan 0.000 0.441 83 D N -0.116 120.277 120.400 -0.012 0.000 2.084 83 D HA -0.077 4.573 4.640 0.016 0.000 0.194 83 D C 1.589 177.876 176.300 -0.021 0.000 0.990 83 D CA 1.868 55.857 54.000 -0.018 0.000 0.826 83 D CB -0.335 40.449 40.800 -0.027 0.000 0.971 83 D HN 0.303 nan 8.370 nan 0.000 0.453 84 A N 0.260 123.063 122.820 -0.029 0.000 2.076 84 A HA -0.186 4.144 4.320 0.016 0.000 0.220 84 A C 2.017 179.589 177.584 -0.018 0.000 1.160 84 A CA 1.356 53.375 52.037 -0.030 0.000 0.653 84 A CB -0.296 18.681 19.000 -0.038 0.000 0.801 84 A HN 0.137 nan 8.150 nan 0.000 0.455 85 K N -0.692 119.701 120.400 -0.012 0.000 2.211 85 K HA -0.066 4.264 4.320 0.016 0.000 0.201 85 K C 1.707 178.305 176.600 -0.004 0.000 1.052 85 K CA 1.181 57.465 56.287 -0.005 0.000 0.973 85 K CB 0.097 32.598 32.500 0.001 0.000 0.766 85 K HN 0.713 nan 8.250 nan 0.000 0.466 86 E N 0.542 120.739 120.200 -0.005 0.000 2.478 86 E HA -0.080 4.280 4.350 0.016 0.000 0.194 86 E C 1.548 178.144 176.600 -0.006 0.000 1.045 86 E CA 0.794 57.191 56.400 -0.004 0.000 0.868 86 E CB 0.300 29.999 29.700 -0.002 0.000 0.885 86 E HN 0.033 nan 8.360 nan 0.000 0.505 87 K N -0.320 120.074 120.400 -0.010 0.000 2.099 87 K HA 0.124 4.453 4.320 0.016 0.000 0.203 87 K C -0.261 176.334 176.600 -0.009 0.000 1.047 87 K CA 0.943 57.223 56.287 -0.012 0.000 0.963 87 K CB 0.345 32.834 32.500 -0.018 0.000 0.759 87 K HN 0.251 nan 8.250 nan 0.000 0.451 88 C N 2.119 121.414 119.300 -0.009 0.000 2.455 88 C HA 0.526 4.995 4.460 0.016 0.000 0.321 88 C C -2.226 172.763 174.990 -0.002 0.000 1.102 88 C CA -2.196 56.819 59.018 -0.006 0.000 1.413 88 C CB 1.042 28.777 27.740 -0.008 0.000 1.952 88 C HN 0.294 nan 8.230 nan 0.000 0.428 89 P HA -0.060 nan 4.420 nan 0.000 0.225 89 P C 1.190 178.492 177.300 0.004 0.000 1.156 89 P CA 1.019 64.121 63.100 0.002 0.000 0.787 89 P CB 0.111 31.813 31.700 0.003 0.000 0.802 90 Q N -0.591 119.212 119.800 0.005 0.000 2.482 90 Q HA 0.035 4.385 4.340 0.016 0.000 0.209 90 Q C 0.458 176.463 176.000 0.008 0.000 0.961 90 Q CA 0.002 55.810 55.803 0.007 0.000 0.945 90 Q CB -0.855 27.888 28.738 0.008 0.000 1.012 90 Q HN 0.054 nan 8.270 nan 0.000 0.515 91 L N 1.110 122.336 121.223 0.005 0.000 2.584 91 L HA 0.072 4.422 4.340 0.016 0.000 0.272 91 L C -0.957 175.919 176.870 0.009 0.000 1.195 91 L CA 0.484 55.327 54.840 0.005 0.000 0.920 91 L CB 0.585 42.643 42.059 -0.001 0.000 1.173 91 L HN -0.071 nan 8.230 nan 0.000 0.489 92 V N 6.970 126.891 119.914 0.013 0.000 2.427 92 V HA 0.419 4.548 4.120 0.016 0.000 0.286 92 V C 0.154 176.260 176.094 0.020 0.000 1.034 92 V CA -0.638 61.672 62.300 0.017 0.000 0.893 92 V CB 1.484 33.319 31.823 0.020 0.000 0.982 92 V HN 0.561 nan 8.190 nan 0.000 0.452 93 L N 5.618 126.855 121.223 0.023 0.000 2.365 93 L HA 0.742 5.092 4.340 0.016 0.000 0.273 93 L C -0.435 176.456 176.870 0.035 0.000 1.000 93 L CA -0.921 53.936 54.840 0.028 0.000 0.819 93 L CB 1.984 44.059 42.059 0.026 0.000 1.284 93 L HN 0.511 nan 8.230 nan 0.000 0.418 94 V N -0.925 119.017 119.914 0.047 0.000 2.732 94 V HA 0.469 4.599 4.120 0.016 0.000 0.310 94 V C -0.170 175.964 176.094 0.066 0.000 1.053 94 V CA -0.841 61.491 62.300 0.053 0.000 0.957 94 V CB 1.809 33.670 31.823 0.064 0.000 1.018 94 V HN 0.822 nan 8.190 nan 0.000 0.452 95 N N 2.030 120.766 118.700 0.059 0.000 2.444 95 N HA 0.346 5.095 4.740 0.016 0.000 0.271 95 N C 0.339 175.901 175.510 0.087 0.000 1.069 95 N CA 0.338 53.428 53.050 0.067 0.000 0.965 95 N CB 1.770 40.286 38.487 0.048 0.000 1.092 95 N HN 1.127 nan 8.380 nan 0.000 0.476 96 G N 2.985 111.860 108.800 0.125 0.000 4.547 96 G HA2 0.123 4.093 3.960 0.016 0.000 0.301 96 G HA3 0.123 4.093 3.960 0.016 0.000 0.301 96 G C 0.635 175.626 174.900 0.152 0.000 1.240 96 G CA -0.278 44.937 45.100 0.191 0.000 0.970 96 G HN 0.667 nan 8.290 nan 0.000 0.574 97 E N 0.037 120.291 120.200 0.089 0.000 2.122 97 E HA -0.045 4.314 4.350 0.016 0.000 0.190 97 E C 0.357 176.988 176.600 0.052 0.000 0.977 97 E CA 0.093 56.538 56.400 0.075 0.000 0.820 97 E CB 0.294 30.031 29.700 0.063 0.000 0.770 97 E HN 0.324 nan 8.360 nan 0.000 0.462 98 D N 0.897 121.305 120.400 0.013 0.000 2.358 98 D HA -0.008 4.642 4.640 0.016 0.000 0.258 98 D C 0.450 176.708 176.300 -0.070 0.000 1.223 98 D CA 0.139 54.128 54.000 -0.019 0.000 0.886 98 D CB 0.936 41.705 40.800 -0.052 0.000 1.120 98 D HN 0.066 nan 8.370 nan 0.000 0.482 99 L N 3.298 124.527 121.223 0.010 0.000 2.607 99 L HA 0.009 4.358 4.340 0.016 0.000 0.228 99 L C 2.152 179.025 176.870 0.004 0.000 1.123 99 L CA -0.113 54.766 54.840 0.066 0.000 0.890 99 L CB -0.097 42.134 42.059 0.287 0.000 1.103 99 L HN 0.368 nan 8.230 nan 0.000 0.468 100 T N 0.374 114.890 114.554 -0.062 0.000 2.597 100 T HA -0.267 4.093 4.350 0.016 0.000 0.267 100 T C 2.005 176.649 174.700 -0.093 0.000 1.053 100 T CA 1.827 63.907 62.100 -0.033 0.000 1.165 100 T CB -0.168 68.674 68.868 -0.042 0.000 0.863 100 T HN 0.370 nan 8.240 nan 0.000 0.427 101 R N 0.031 120.375 120.500 -0.260 0.000 2.096 101 R HA -0.061 4.288 4.340 0.016 0.000 0.235 101 R C 2.401 178.607 176.300 -0.157 0.000 1.127 101 R CA 1.560 57.515 56.100 -0.242 0.000 0.968 101 R CB -0.548 29.555 30.300 -0.329 0.000 0.861 101 R HN 0.591 nan 8.270 nan 0.000 0.440 102 Y N -0.035 120.221 120.300 -0.073 0.000 2.293 102 Y HA -0.116 4.444 4.550 0.017 0.000 0.291 102 Y C 2.663 178.619 175.900 0.094 0.000 1.137 102 Y CA 0.541 58.616 58.100 -0.042 0.000 1.202 102 Y CB -0.141 38.251 38.460 -0.113 0.000 0.990 102 Y HN 0.001 nan 8.280 nan 0.000 0.537 103 R N 0.951 121.519 120.500 0.113 0.000 2.066 103 R HA -0.156 4.193 4.340 0.016 0.000 0.232 103 R C 1.896 178.217 176.300 0.035 0.000 1.131 103 R CA 1.636 57.597 56.100 -0.232 0.000 0.955 103 R CB -0.101 30.181 30.300 -0.029 0.000 0.851 103 R HN 0.422 nan 8.270 nan 0.000 0.432 104 E N 0.095 120.349 120.200 0.089 0.000 2.038 104 E HA -0.263 4.097 4.350 0.016 0.000 0.195 104 E C 1.878 178.567 176.600 0.149 0.000 1.000 104 E CA 1.720 58.189 56.400 0.115 0.000 0.803 104 E CB -0.162 29.570 29.700 0.052 0.000 0.750 104 E HN 0.188 nan 8.360 nan 0.000 0.448 105 M N 0.611 120.307 119.600 0.161 0.000 2.296 105 M HA -0.110 4.380 4.480 0.016 0.000 0.265 105 M C 2.195 178.671 176.300 0.295 0.000 1.064 105 M CA 1.135 56.575 55.300 0.233 0.000 1.109 105 M CB -0.110 32.644 32.600 0.256 0.000 1.396 105 M HN -0.046 nan 8.290 nan 0.000 0.430 106 S N -0.818 115.030 115.700 0.246 0.000 2.356 106 S HA -0.178 4.302 4.470 0.016 0.000 0.223 106 S C 1.830 176.314 174.600 -0.193 0.000 1.032 106 S CA 1.485 59.652 58.200 -0.056 0.000 1.005 106 S CB -0.441 62.522 63.200 -0.396 0.000 0.867 106 S HN 0.653 nan 8.310 nan 0.000 0.449 107 Y N 1.561 121.831 120.300 -0.051 0.000 2.314 107 Y HA 0.126 4.686 4.550 0.017 0.000 0.293 107 Y C 2.438 178.341 175.900 0.004 0.000 1.129 107 Y CA 1.022 59.103 58.100 -0.031 0.000 1.201 107 Y CB -0.140 38.303 38.460 -0.029 0.000 0.999 107 Y HN 0.205 nan 8.280 nan 0.000 0.541 108 K N -0.316 120.181 120.400 0.161 0.000 2.160 108 K HA -0.173 4.157 4.320 0.016 0.000 0.206 108 K C 1.914 178.563 176.600 0.081 0.000 1.047 108 K CA 1.529 57.883 56.287 0.112 0.000 0.930 108 K CB -0.418 32.144 32.500 0.104 0.000 0.720 108 K HN 0.178 nan 8.250 nan 0.000 0.450 109 V N 1.023 120.965 119.914 0.047 0.000 2.255 109 V HA -0.218 3.912 4.120 0.016 0.000 0.243 109 V C 2.180 178.275 176.094 0.003 0.000 1.038 109 V CA 2.142 64.445 62.300 0.005 0.000 1.008 109 V CB -0.690 31.088 31.823 -0.074 0.000 0.645 109 V HN 0.367 nan 8.190 nan 0.000 0.449 110 T N -0.115 114.422 114.554 -0.028 0.000 2.665 110 T HA -0.273 4.086 4.350 0.016 0.000 0.268 110 T C 1.753 176.493 174.700 0.066 0.000 1.035 110 T CA 1.951 64.051 62.100 0.000 0.000 1.151 110 T CB -0.377 68.482 68.868 -0.015 0.000 0.862 110 T HN 0.578 nan 8.240 nan 0.000 0.438 111 E N 0.641 120.897 120.200 0.094 0.000 2.118 111 E HA -0.092 4.268 4.350 0.016 0.000 0.195 111 E C 2.234 178.890 176.600 0.094 0.000 0.992 111 E CA 0.798 57.256 56.400 0.096 0.000 0.804 111 E CB -0.321 29.436 29.700 0.095 0.000 0.741 111 E HN 0.404 nan 8.360 nan 0.000 0.458 112 L N 0.840 122.124 121.223 0.100 0.000 2.046 112 L HA -0.194 4.155 4.340 0.016 0.000 0.208 112 L C 2.250 179.261 176.870 0.234 0.000 1.077 112 L CA 1.058 55.980 54.840 0.137 0.000 0.747 112 L CB -0.050 42.089 42.059 0.134 0.000 0.896 112 L HN 0.147 nan 8.230 nan 0.000 0.432 113 L N -0.578 120.754 121.223 0.181 0.000 2.056 113 L HA -0.208 4.142 4.340 0.016 0.000 0.207 113 L C 2.439 179.443 176.870 0.224 0.000 1.078 113 L CA 1.262 56.224 54.840 0.204 0.000 0.749 113 L CB -0.691 41.392 42.059 0.040 0.000 0.901 113 L HN 0.277 nan 8.230 nan 0.000 0.433 114 E N 0.015 120.299 120.200 0.141 0.000 2.284 114 E HA -0.286 4.073 4.350 0.016 0.000 0.200 114 E C 1.992 178.658 176.600 0.110 0.000 1.008 114 E CA 1.082 57.550 56.400 0.114 0.000 0.829 114 E CB -0.068 29.684 29.700 0.087 0.000 0.744 114 E HN 0.485 nan 8.360 nan 0.000 0.491 115 E N -0.481 119.788 120.200 0.115 0.000 2.208 115 E HA -0.123 4.236 4.350 0.016 0.000 0.193 115 E C 1.526 178.106 176.600 -0.032 0.000 0.988 115 E CA 0.508 56.916 56.400 0.013 0.000 0.828 115 E CB 0.090 29.755 29.700 -0.058 0.000 0.763 115 E HN 0.214 nan 8.360 nan 0.000 0.478 116 F N 0.167 120.126 119.950 0.015 0.000 2.149 116 F HA 0.012 4.549 4.527 0.017 0.000 0.294 116 F C 1.353 177.163 175.800 0.017 0.000 1.095 116 F CA 0.535 58.543 58.000 0.014 0.000 1.276 116 F CB 0.321 39.329 39.000 0.012 0.000 1.023 116 F HN -0.207 nan 8.300 nan 0.000 0.480 117 S N -0.273 115.561 115.700 0.224 0.000 2.566 117 S HA 0.316 4.796 4.470 0.016 0.000 0.273 117 S C -2.231 172.430 174.600 0.102 0.000 1.157 117 S CA -1.332 56.945 58.200 0.129 0.000 0.938 117 S CB 1.670 64.939 63.200 0.115 0.000 1.087 117 S HN -0.189 nan 8.310 nan 0.000 0.474 118 P HA 0.013 nan 4.420 nan 0.000 0.225 118 P C 0.257 177.595 177.300 0.062 0.000 1.148 118 P CA 0.658 63.795 63.100 0.063 0.000 0.779 118 P CB -0.212 31.516 31.700 0.047 0.000 0.780 119 V N 1.233 121.184 119.914 0.063 0.000 2.258 119 V HA 0.182 4.312 4.120 0.016 0.000 0.258 119 V C 0.306 176.442 176.094 0.070 0.000 1.121 119 V CA -0.484 61.851 62.300 0.058 0.000 0.942 119 V CB 0.583 32.435 31.823 0.049 0.000 1.170 119 V HN -0.227 nan 8.190 nan 0.000 0.487 120 V N 3.322 123.279 119.914 0.072 0.000 2.555 120 V HA 0.509 4.638 4.120 0.016 0.000 0.302 120 V C -0.135 176.011 176.094 0.086 0.000 1.038 120 V CA -0.590 61.758 62.300 0.080 0.000 0.887 120 V CB 2.251 34.113 31.823 0.065 0.000 0.991 120 V HN 0.849 nan 8.190 nan 0.000 0.434 121 E N 3.956 124.229 120.200 0.122 0.000 2.199 121 E HA 0.505 4.865 4.350 0.016 0.000 0.265 121 E C -0.751 175.944 176.600 0.158 0.000 0.882 121 E CA -0.827 55.653 56.400 0.132 0.000 0.759 121 E CB 1.384 31.165 29.700 0.134 0.000 1.148 121 E HN 0.618 nan 8.360 nan 0.000 0.412 122 R N 3.451 124.008 120.500 0.096 0.000 2.410 122 R HA 0.392 4.742 4.340 0.016 0.000 0.288 122 R C -0.171 176.201 176.300 0.120 0.000 1.051 122 R CA -0.468 55.668 56.100 0.059 0.000 1.021 122 R CB 0.941 31.231 30.300 -0.016 0.000 1.032 122 R HN 0.414 nan 8.270 nan 0.000 0.481 123 L N 3.346 124.639 121.223 0.117 0.000 2.356 123 L HA 0.301 4.651 4.340 0.016 0.000 0.264 123 L C 0.471 177.387 176.870 0.076 0.000 1.029 123 L CA 0.035 54.955 54.840 0.133 0.000 0.897 123 L CB 0.965 43.155 42.059 0.217 0.000 1.256 123 L HN 1.053 nan 8.230 nan 0.000 0.444 124 G N 1.800 110.655 108.800 0.090 0.000 2.645 124 G HA2 -0.333 3.637 3.960 0.016 0.000 0.246 124 G HA3 -0.333 3.637 3.960 0.016 0.000 0.246 124 G C 0.346 175.388 174.900 0.236 0.000 1.322 124 G CA 0.249 45.422 45.100 0.121 0.000 0.898 124 G HN 0.518 nan 8.290 nan 0.000 0.573 125 F N 0.737 120.672 119.950 -0.026 0.000 2.558 125 F HA 0.097 4.634 4.527 0.015 0.000 0.298 125 F C 2.250 177.870 175.800 -0.301 0.000 1.119 125 F CA 0.903 58.876 58.000 -0.045 0.000 1.451 125 F CB 0.222 39.377 39.000 0.258 0.000 1.091 125 F HN 0.507 nan 8.300 nan 0.000 0.563 126 D N -1.561 118.765 120.400 -0.124 0.000 2.469 126 D HA 0.083 4.733 4.640 0.016 0.000 0.215 126 D C -0.118 175.991 176.300 -0.320 0.000 1.154 126 D CA 0.073 53.830 54.000 -0.406 0.000 0.832 126 D CB -0.223 40.402 40.800 -0.291 0.000 1.008 126 D HN 0.165 nan 8.370 nan 0.000 0.506 127 E N -0.095 119.965 120.200 -0.233 0.000 2.343 127 E HA 0.517 4.877 4.350 0.016 0.000 0.270 127 E C -0.868 175.577 176.600 -0.257 0.000 0.895 127 E CA -0.942 55.283 56.400 -0.292 0.000 0.767 127 E CB 1.840 31.445 29.700 -0.159 0.000 1.248 127 E HN -0.027 nan 8.360 nan 0.000 0.440 128 N N 1.710 120.178 118.700 -0.386 0.000 2.369 128 N HA 0.311 5.060 4.740 0.016 0.000 0.287 128 N C -1.517 173.816 175.510 -0.294 0.000 1.067 128 N CA -0.458 52.464 53.050 -0.214 0.000 0.888 128 N CB 1.524 39.909 38.487 -0.171 0.000 1.616 128 N HN 0.209 nan 8.380 nan 0.000 0.482 129 F N 0.855 120.801 119.950 -0.006 0.000 2.399 129 F HA 0.535 5.072 4.527 0.018 0.000 0.334 129 F C 0.511 176.309 175.800 -0.003 0.000 1.097 129 F CA -0.578 57.441 58.000 0.031 0.000 1.076 129 F CB 1.417 40.455 39.000 0.064 0.000 1.162 129 F HN -0.003 nan 8.300 nan 0.000 0.495 130 V N 1.588 121.593 119.914 0.152 0.000 2.709 130 V HA 0.257 4.387 4.120 0.016 0.000 0.308 130 V C -1.005 175.148 176.094 0.097 0.000 1.062 130 V CA -0.964 61.393 62.300 0.093 0.000 0.901 130 V CB 2.019 33.855 31.823 0.022 0.000 1.003 130 V HN 0.623 nan 8.190 nan 0.000 0.425 131 D N 3.747 124.198 120.400 0.084 0.000 2.428 131 D HA 0.307 4.956 4.640 0.016 0.000 0.221 131 D C 0.493 176.827 176.300 0.057 0.000 1.123 131 D CA -0.115 53.926 54.000 0.068 0.000 0.869 131 D CB 1.412 42.245 40.800 0.055 0.000 1.032 131 D HN 0.503 nan 8.370 nan 0.000 0.506 132 L N 3.036 124.290 121.223 0.051 0.000 2.612 132 L HA 0.014 4.364 4.340 0.016 0.000 0.230 132 L C 2.055 178.952 176.870 0.044 0.000 1.140 132 L CA 0.070 54.938 54.840 0.047 0.000 0.896 132 L CB -0.063 42.017 42.059 0.034 0.000 1.065 132 L HN 0.325 nan 8.230 nan 0.000 0.447 133 T N -0.647 113.931 114.554 0.041 0.000 2.622 133 T HA -0.172 4.188 4.350 0.016 0.000 0.266 133 T C 1.650 176.371 174.700 0.035 0.000 1.047 133 T CA 1.279 63.400 62.100 0.035 0.000 1.159 133 T CB -0.085 68.802 68.868 0.030 0.000 0.863 133 T HN 0.282 nan 8.240 nan 0.000 0.422 134 E N 0.739 120.960 120.200 0.035 0.000 2.268 134 E HA 0.009 4.368 4.350 0.016 0.000 0.195 134 E C 2.002 178.624 176.600 0.037 0.000 0.995 134 E CA 0.504 56.924 56.400 0.033 0.000 0.836 134 E CB -0.403 29.316 29.700 0.031 0.000 0.763 134 E HN 0.528 nan 8.360 nan 0.000 0.491 135 M N 0.196 119.824 119.600 0.046 0.000 2.193 135 M HA -0.107 4.383 4.480 0.016 0.000 0.265 135 M C 2.072 178.402 176.300 0.049 0.000 1.071 135 M CA 0.902 56.235 55.300 0.055 0.000 1.140 135 M CB 0.121 32.767 32.600 0.076 0.000 1.369 135 M HN -0.087 nan 8.290 nan 0.000 0.423 136 V N 1.315 121.256 119.914 0.045 0.000 2.252 136 V HA -0.292 3.838 4.120 0.016 0.000 0.249 136 V C 2.320 178.434 176.094 0.034 0.000 1.056 136 V CA 2.122 64.445 62.300 0.039 0.000 1.022 136 V CB -0.962 30.883 31.823 0.035 0.000 0.641 136 V HN 0.509 nan 8.190 nan 0.000 0.445 137 E N -0.105 120.114 120.200 0.032 0.000 2.118 137 E HA -0.252 4.107 4.350 0.016 0.000 0.195 137 E C 2.249 178.864 176.600 0.025 0.000 0.992 137 E CA 1.155 57.571 56.400 0.027 0.000 0.804 137 E CB -0.233 29.482 29.700 0.025 0.000 0.741 137 E HN 0.571 nan 8.360 nan 0.000 0.458 138 K N 0.668 121.085 120.400 0.027 0.000 2.002 138 K HA -0.098 4.232 4.320 0.016 0.000 0.209 138 K C 2.276 178.891 176.600 0.025 0.000 1.048 138 K CA 0.919 57.221 56.287 0.025 0.000 0.930 138 K CB -0.083 32.433 32.500 0.027 0.000 0.714 138 K HN 0.022 nan 8.250 nan 0.000 0.438 139 R N 0.688 121.206 120.500 0.030 0.000 2.103 139 R HA -0.134 4.215 4.340 0.016 0.000 0.242 139 R C 2.168 178.482 176.300 0.024 0.000 1.142 139 R CA 1.200 57.317 56.100 0.028 0.000 0.960 139 R CB -0.525 29.796 30.300 0.034 0.000 0.858 139 R HN 0.208 nan 8.270 nan 0.000 0.439 140 L N 0.866 122.103 121.223 0.024 0.000 2.633 140 L HA -0.135 4.215 4.340 0.016 0.000 0.235 140 L C 1.723 178.604 176.870 0.017 0.000 1.163 140 L CA 0.864 55.716 54.840 0.021 0.000 0.859 140 L CB -0.176 41.897 42.059 0.022 0.000 0.973 140 L HN 0.250 nan 8.230 nan 0.000 0.451 141 Q N -1.566 118.244 119.800 0.017 0.000 2.350 141 Q HA -0.033 4.317 4.340 0.016 0.000 0.225 141 Q C 1.781 177.788 176.000 0.012 0.000 0.878 141 Q CA -0.020 55.791 55.803 0.014 0.000 0.935 141 Q CB 0.450 29.196 28.738 0.014 0.000 1.099 141 Q HN 0.245 nan 8.270 nan 0.000 0.527 142 Q N 0.163 119.971 119.800 0.013 0.000 2.364 142 Q HA 0.045 4.394 4.340 0.016 0.000 0.207 142 Q C -0.161 175.846 176.000 0.011 0.000 0.970 142 Q CA 0.754 56.564 55.803 0.012 0.000 0.888 142 Q CB 0.380 29.125 28.738 0.013 0.000 0.951 142 Q HN 0.218 nan 8.270 nan 0.000 0.469 143 L N 1.841 123.071 121.223 0.012 0.000 2.272 143 L HA 0.235 4.585 4.340 0.016 0.000 0.289 143 L C 0.140 177.016 176.870 0.010 0.000 1.032 143 L CA -0.454 54.393 54.840 0.012 0.000 0.810 143 L CB 1.149 43.216 42.059 0.014 0.000 1.205 143 L HN 0.224 nan 8.230 nan 0.000 0.422 144 Q N 1.546 121.351 119.800 0.008 0.000 2.272 144 Q HA 0.134 4.484 4.340 0.016 0.000 0.192 144 Q C 1.271 177.276 176.000 0.007 0.000 1.059 144 Q CA 0.015 55.823 55.803 0.007 0.000 1.084 144 Q CB 0.404 29.145 28.738 0.006 0.000 1.139 144 Q HN 0.751 nan 8.270 nan 0.000 0.593 145 S N 0.004 115.707 115.700 0.006 0.000 2.387 145 S HA -0.233 4.247 4.470 0.016 0.000 0.230 145 S C 1.152 175.755 174.600 0.005 0.000 1.035 145 S CA 2.027 60.230 58.200 0.005 0.000 1.014 145 S CB -0.497 62.705 63.200 0.004 0.000 0.836 145 S HN 0.720 nan 8.310 nan 0.000 0.466 146 D N 2.163 122.565 120.400 0.004 0.000 2.183 146 D HA -0.110 4.539 4.640 0.016 0.000 0.205 146 D C 1.703 178.006 176.300 0.005 0.000 0.962 146 D CA 1.001 55.003 54.000 0.004 0.000 0.849 146 D CB -0.712 40.090 40.800 0.003 0.000 0.978 146 D HN 0.823 nan 8.370 nan 0.000 0.488 147 E N 0.167 120.370 120.200 0.006 0.000 2.445 147 E HA 0.064 4.423 4.350 0.016 0.000 0.189 147 E C 1.629 178.234 176.600 0.008 0.000 1.069 147 E CA -0.113 56.291 56.400 0.006 0.000 0.871 147 E CB -0.118 29.586 29.700 0.007 0.000 0.991 147 E HN 0.328 nan 8.360 nan 0.000 0.481 148 L N 0.379 121.607 121.223 0.009 0.000 2.375 148 L HA 0.058 4.408 4.340 0.016 0.000 0.215 148 L C 1.780 178.656 176.870 0.011 0.000 1.108 148 L CA 0.491 55.338 54.840 0.011 0.000 0.830 148 L CB 0.211 42.276 42.059 0.010 0.000 0.959 148 L HN 0.011 nan 8.230 nan 0.000 0.457 149 S N 0.059 115.764 115.700 0.008 0.000 2.447 149 S HA 0.017 4.496 4.470 0.016 0.000 0.233 149 S C 1.592 176.196 174.600 0.007 0.000 1.006 149 S CA 0.911 59.115 58.200 0.007 0.000 0.957 149 S CB -0.112 63.090 63.200 0.004 0.000 0.773 149 S HN 0.548 nan 8.310 nan 0.000 0.507 150 A N 0.899 123.723 122.820 0.007 0.000 2.423 150 A HA 0.447 4.776 4.320 0.016 0.000 0.246 150 A C 0.449 178.038 177.584 0.007 0.000 1.278 150 A CA -0.326 51.715 52.037 0.006 0.000 0.903 150 A CB 0.080 19.083 19.000 0.004 0.000 0.997 150 A HN 0.206 nan 8.150 nan 0.000 0.510 151 V N 2.606 122.527 119.914 0.011 0.000 2.485 151 V HA 0.279 4.409 4.120 0.016 0.000 0.287 151 V C 0.616 176.716 176.094 0.011 0.000 1.022 151 V CA 0.653 62.961 62.300 0.013 0.000 1.067 151 V CB 0.248 32.083 31.823 0.020 0.000 0.967 151 V HN 0.588 nan 8.190 nan 0.000 0.479 152 T N 2.354 116.911 114.554 0.004 0.000 2.908 152 T HA 0.641 5.000 4.350 0.016 0.000 0.290 152 T C -0.304 174.391 174.700 -0.009 0.000 1.034 152 T CA -0.723 61.375 62.100 -0.003 0.000 1.010 152 T CB 1.933 70.794 68.868 -0.011 0.000 1.068 152 T HN 0.384 nan 8.240 nan 0.000 0.481 153 V N 1.181 121.085 119.914 -0.017 0.000 3.003 153 V HA 0.542 4.671 4.120 0.016 0.000 0.305 153 V C 0.216 176.283 176.094 -0.045 0.000 1.078 153 V CA -0.151 62.134 62.300 -0.026 0.000 1.083 153 V CB 1.672 33.477 31.823 -0.031 0.000 1.039 153 V HN 1.081 nan 8.190 nan 0.000 0.481 154 S N 3.517 119.187 115.700 -0.050 0.000 2.498 154 S HA 0.704 5.184 4.470 0.016 0.000 0.324 154 S C 0.100 174.637 174.600 -0.106 0.000 1.071 154 S CA 0.458 58.615 58.200 -0.072 0.000 1.113 154 S CB 0.061 63.229 63.200 -0.053 0.000 0.976 154 S HN 1.997 nan 8.310 nan 0.000 0.462 155 G N 4.238 112.930 108.800 -0.180 0.000 2.527 155 G HA2 -0.157 3.813 3.960 0.016 0.000 0.227 155 G HA3 -0.157 3.813 3.960 0.016 0.000 0.227 155 G C -0.787 173.899 174.900 -0.357 0.000 1.291 155 G CA -0.635 44.272 45.100 -0.322 0.000 0.904 155 G HN 0.823 nan 8.290 nan 0.000 0.577 156 H N -0.460 118.505 119.070 -0.174 0.000 2.652 156 H HA 0.450 5.005 4.556 -0.001 0.000 0.349 156 H C 0.165 175.470 175.328 -0.038 0.000 1.099 156 H CA 0.372 56.294 56.048 -0.210 0.000 1.417 156 H CB 1.224 30.709 29.762 -0.461 0.000 1.457 156 H HN 0.412 nan 8.280 nan 0.000 0.568 157 V N 4.125 124.100 119.914 0.101 0.000 2.398 157 V HA 0.003 4.132 4.120 0.016 0.000 0.286 157 V C -0.057 176.137 176.094 0.166 0.000 1.026 157 V CA -0.823 61.539 62.300 0.102 0.000 0.868 157 V CB 0.872 32.712 31.823 0.028 0.000 0.982 157 V HN 0.646 nan 8.190 nan 0.000 0.443 158 Y N 5.721 126.082 120.300 0.101 0.000 2.717 158 Y HA -0.006 4.556 4.550 0.020 0.000 0.330 158 Y C 1.342 177.259 175.900 0.028 0.000 1.217 158 Y CA 1.320 59.483 58.100 0.105 0.000 1.506 158 Y CB 0.104 38.604 38.460 0.067 0.000 1.268 158 Y HN 0.929 nan 8.280 nan 0.000 0.561 159 N N 3.247 121.409 118.700 -0.897 0.000 2.714 159 N HA -0.360 4.390 4.740 0.016 0.000 0.250 159 N C -0.105 175.205 175.510 -0.334 0.000 1.117 159 N CA 1.501 54.078 53.050 -0.788 0.000 0.719 159 N CB -1.736 36.139 38.487 -1.020 0.000 1.081 159 N HN 0.877 nan 8.380 nan 0.000 0.557 160 N N -1.040 117.565 118.700 -0.159 0.000 2.735 160 N HA -0.280 4.470 4.740 0.016 0.000 0.248 160 N C -0.761 174.713 175.510 -0.061 0.000 1.083 160 N CA 1.384 54.392 53.050 -0.070 0.000 0.703 160 N CB -0.492 37.957 38.487 -0.063 0.000 1.005 160 N HN 0.726 nan 8.380 nan 0.000 0.550 161 Q N 0.107 119.874 119.800 -0.054 0.000 2.243 161 Q HA 0.340 4.690 4.340 0.016 0.000 0.252 161 Q C -0.651 175.356 176.000 0.012 0.000 0.909 161 Q CA -0.469 55.319 55.803 -0.025 0.000 0.922 161 Q CB 0.893 29.619 28.738 -0.020 0.000 1.215 161 Q HN 0.320 nan 8.270 nan 0.000 0.427 162 S N 3.827 119.548 115.700 0.035 0.000 2.546 162 S HA 0.068 4.548 4.470 0.016 0.000 0.290 162 S C 0.192 174.868 174.600 0.127 0.000 1.262 162 S CA -0.126 58.109 58.200 0.059 0.000 1.083 162 S CB -0.187 63.044 63.200 0.051 0.000 0.859 162 S HN 0.435 nan 8.310 nan 0.000 0.495 163 I N 3.993 124.636 120.570 0.121 0.000 2.634 163 I HA 0.103 4.283 4.170 0.016 0.000 0.284 163 I C 0.683 176.915 176.117 0.192 0.000 1.124 163 I CA -0.044 61.396 61.300 0.233 0.000 1.417 163 I CB 0.370 38.448 38.000 0.129 0.000 1.396 163 I HN 0.436 nan 8.210 nan 0.000 0.571 164 N N 6.109 124.930 118.700 0.203 0.000 2.518 164 N HA 0.288 5.038 4.740 0.016 0.000 0.254 164 N C 0.314 175.799 175.510 -0.042 0.000 0.979 164 N CA -0.365 52.660 53.050 -0.041 0.000 0.930 164 N CB 1.147 39.500 38.487 -0.224 0.000 1.152 164 N HN 0.586 nan 8.380 nan 0.000 0.505 165 L N 2.735 123.960 121.223 0.004 0.000 2.450 165 L HA -0.036 4.314 4.340 0.016 0.000 0.224 165 L C 1.439 178.305 176.870 -0.007 0.000 1.149 165 L CA 0.865 55.714 54.840 0.014 0.000 0.816 165 L CB -0.014 42.054 42.059 0.016 0.000 0.932 165 L HN 0.539 nan 8.230 nan 0.000 0.449 166 L N -1.601 119.599 121.223 -0.038 0.000 2.554 166 L HA 0.089 4.438 4.340 0.016 0.000 0.225 166 L C 0.728 177.561 176.870 -0.062 0.000 1.104 166 L CA -0.115 54.702 54.840 -0.040 0.000 0.866 166 L CB 0.008 42.044 42.059 -0.038 0.000 1.047 166 L HN 0.068 nan 8.230 nan 0.000 0.468 167 D N 1.039 121.365 120.400 -0.124 0.000 2.348 167 D HA -0.027 4.622 4.640 0.016 0.000 0.259 167 D C 1.197 177.482 176.300 -0.024 0.000 1.296 167 D CA 0.235 54.145 54.000 -0.150 0.000 0.931 167 D CB 1.633 42.148 40.800 -0.474 0.000 1.067 167 D HN -0.134 nan 8.370 nan 0.000 0.503 168 V N 5.260 125.174 119.914 0.001 0.000 2.370 168 V HA -0.270 3.860 4.120 0.016 0.000 0.252 168 V C 2.088 178.221 176.094 0.064 0.000 1.068 168 V CA 1.787 64.105 62.300 0.030 0.000 1.061 168 V CB -0.172 31.663 31.823 0.020 0.000 0.656 168 V HN 0.622 nan 8.190 nan 0.000 0.455 169 L N -1.214 120.063 121.223 0.091 0.000 2.240 169 L HA -0.050 4.300 4.340 0.016 0.000 0.211 169 L C 2.432 179.414 176.870 0.187 0.000 1.106 169 L CA 1.031 55.945 54.840 0.125 0.000 0.793 169 L CB -0.713 41.421 42.059 0.126 0.000 0.927 169 L HN 0.377 nan 8.230 nan 0.000 0.446 170 H N -0.228 118.855 119.070 0.022 0.000 2.357 170 H HA -0.088 4.478 4.556 0.017 0.000 0.301 170 H C 2.252 177.592 175.328 0.020 0.000 1.082 170 H CA 1.204 57.266 56.048 0.023 0.000 1.342 170 H CB 0.062 29.836 29.762 0.020 0.000 1.389 170 H HN 0.051 nan 8.280 nan 0.000 0.511 171 I N 1.141 121.804 120.570 0.154 0.000 2.099 171 I HA -0.261 3.918 4.170 0.016 0.000 0.239 171 I C 2.288 178.441 176.117 0.060 0.000 1.066 171 I CA 1.562 62.913 61.300 0.085 0.000 1.324 171 I CB -0.720 37.316 38.000 0.060 0.000 1.037 171 I HN 0.396 nan 8.210 nan 0.000 0.401 172 R N 0.728 121.263 120.500 0.057 0.000 2.235 172 R HA -0.066 4.284 4.340 0.016 0.000 0.213 172 R C 2.099 178.421 176.300 0.036 0.000 1.059 172 R CA 0.833 56.959 56.100 0.043 0.000 0.997 172 R CB -0.570 29.754 30.300 0.040 0.000 0.884 172 R HN 0.323 nan 8.270 nan 0.000 0.462 173 L N 0.971 122.215 121.223 0.037 0.000 2.072 173 L HA -0.068 4.282 4.340 0.016 0.000 0.205 173 L C 2.442 179.319 176.870 0.012 0.000 1.079 173 L CA 0.989 55.841 54.840 0.019 0.000 0.752 173 L CB -0.358 41.701 42.059 -0.001 0.000 0.906 173 L HN 0.157 nan 8.230 nan 0.000 0.436 174 L N -0.990 120.244 121.223 0.017 0.000 2.046 174 L HA -0.200 4.150 4.340 0.016 0.000 0.208 174 L C 2.568 179.445 176.870 0.011 0.000 1.077 174 L CA 0.893 55.740 54.840 0.011 0.000 0.747 174 L CB -0.728 41.343 42.059 0.019 0.000 0.896 174 L HN 0.073 nan 8.230 nan 0.000 0.432 175 V N 0.656 120.582 119.914 0.020 0.000 2.380 175 V HA -0.269 3.861 4.120 0.016 0.000 0.251 175 V C 2.651 178.755 176.094 0.016 0.000 1.063 175 V CA 2.043 64.355 62.300 0.021 0.000 1.055 175 V CB -1.387 30.452 31.823 0.028 0.000 0.657 175 V HN 0.609 nan 8.190 nan 0.000 0.455 176 G N 0.173 108.981 108.800 0.014 0.000 2.418 176 G HA2 -0.277 3.693 3.960 0.016 0.000 0.217 176 G HA3 -0.277 3.693 3.960 0.016 0.000 0.217 176 G C 1.837 176.732 174.900 -0.009 0.000 1.158 176 G CA 1.332 46.436 45.100 0.006 0.000 0.771 176 G HN 0.672 nan 8.290 nan 0.000 0.545 177 S N -0.245 115.450 115.700 -0.007 0.000 2.428 177 S HA -0.041 4.439 4.470 0.016 0.000 0.230 177 S C 2.151 176.737 174.600 -0.024 0.000 1.014 177 S CA 1.308 59.498 58.200 -0.017 0.000 0.957 177 S CB -0.218 62.974 63.200 -0.014 0.000 0.784 177 S HN 0.497 nan 8.310 nan 0.000 0.499 178 Q N 0.690 120.483 119.800 -0.011 0.000 2.079 178 Q HA 0.098 4.448 4.340 0.016 0.000 0.200 178 Q C 2.120 178.119 176.000 -0.001 0.000 0.974 178 Q CA 1.639 57.440 55.803 -0.004 0.000 0.840 178 Q CB -0.353 28.391 28.738 0.010 0.000 0.898 178 Q HN 0.625 nan 8.270 nan 0.000 0.430 179 I N 0.239 120.806 120.570 -0.004 0.000 2.252 179 I HA -0.253 3.927 4.170 0.016 0.000 0.245 179 I C 2.378 178.416 176.117 -0.132 0.000 1.102 179 I CA 0.852 62.140 61.300 -0.019 0.000 1.385 179 I CB -0.384 37.615 38.000 -0.001 0.000 1.064 179 I HN 0.162 nan 8.210 nan 0.000 0.414 180 A N 0.909 123.658 122.820 -0.118 0.000 1.908 180 A HA -0.230 4.099 4.320 0.016 0.000 0.218 180 A C 2.553 180.056 177.584 -0.135 0.000 1.181 180 A CA 2.089 54.035 52.037 -0.152 0.000 0.627 180 A CB -0.922 18.022 19.000 -0.093 0.000 0.818 180 A HN 0.440 nan 8.150 nan 0.000 0.445 181 A N -0.337 122.436 122.820 -0.079 0.000 1.877 181 A HA -0.203 4.127 4.320 0.016 0.000 0.216 181 A C 1.905 179.469 177.584 -0.034 0.000 1.186 181 A CA 1.779 53.783 52.037 -0.054 0.000 0.620 181 A CB -0.620 18.357 19.000 -0.038 0.000 0.822 181 A HN 0.632 nan 8.150 nan 0.000 0.443 182 E N -0.827 119.367 120.200 -0.010 0.000 2.160 182 E HA -0.190 4.169 4.350 0.016 0.000 0.195 182 E C 2.052 178.698 176.600 0.078 0.000 0.991 182 E CA 1.437 57.893 56.400 0.093 0.000 0.810 182 E CB -0.243 29.584 29.700 0.213 0.000 0.742 182 E HN 0.684 nan 8.360 nan 0.000 0.466 183 M N -0.177 119.262 119.600 -0.268 0.000 2.123 183 M HA -0.119 4.371 4.480 0.016 0.000 0.263 183 M C 2.265 178.499 176.300 -0.111 0.000 1.069 183 M CA 1.411 56.433 55.300 -0.464 0.000 1.133 183 M CB -0.101 32.067 32.600 -0.720 0.000 1.356 183 M HN -0.006 nan 8.290 nan 0.000 0.415 184 R N 0.029 120.477 120.500 -0.086 0.000 2.070 184 R HA -0.154 4.195 4.340 0.016 0.000 0.233 184 R C 2.137 178.471 176.300 0.057 0.000 1.137 184 R CA 1.485 57.574 56.100 -0.018 0.000 0.945 184 R CB -0.679 29.597 30.300 -0.039 0.000 0.845 184 R HN 0.475 nan 8.270 nan 0.000 0.430 185 E N 0.681 120.914 120.200 0.055 0.000 2.114 185 E HA -0.250 4.109 4.350 0.016 0.000 0.199 185 E C 1.829 178.521 176.600 0.154 0.000 1.008 185 E CA 1.634 58.093 56.400 0.098 0.000 0.810 185 E CB -0.016 29.730 29.700 0.077 0.000 0.739 185 E HN 0.394 nan 8.360 nan 0.000 0.456 186 A N 0.326 123.240 122.820 0.157 0.000 1.970 186 A HA -0.075 4.254 4.320 0.016 0.000 0.216 186 A C 2.140 179.812 177.584 0.147 0.000 1.170 186 A CA 0.935 53.076 52.037 0.174 0.000 0.645 186 A CB -0.319 18.846 19.000 0.275 0.000 0.816 186 A HN 0.231 nan 8.150 nan 0.000 0.447 187 M N -2.024 117.657 119.600 0.134 0.000 2.065 187 M HA -0.179 4.310 4.480 0.016 0.000 0.259 187 M C 2.282 178.656 176.300 0.124 0.000 1.069 187 M CA 2.107 57.474 55.300 0.111 0.000 1.110 187 M CB -0.611 32.038 32.600 0.082 0.000 1.328 187 M HN 0.586 nan 8.290 nan 0.000 0.405 188 Y N 1.702 122.025 120.300 0.039 0.000 2.114 188 Y HA -0.249 4.314 4.550 0.022 0.000 0.284 188 Y C 2.176 178.100 175.900 0.039 0.000 1.143 188 Y CA 1.901 60.023 58.100 0.037 0.000 1.135 188 Y CB -0.429 38.046 38.460 0.024 0.000 0.980 188 Y HN 0.266 nan 8.280 nan 0.000 0.499 189 N N -0.037 118.711 118.700 0.080 0.000 2.289 189 N HA -0.156 4.594 4.740 0.016 0.000 0.184 189 N C 1.608 177.093 175.510 -0.043 0.000 1.016 189 N CA 1.617 54.669 53.050 0.004 0.000 0.872 189 N CB -0.244 38.291 38.487 0.080 0.000 0.973 189 N HN 0.601 nan 8.380 nan 0.000 0.433 190 Q N -0.701 119.092 119.800 -0.012 0.000 2.304 190 Q HA 0.250 4.600 4.340 0.016 0.000 0.204 190 Q C 1.349 177.338 176.000 -0.019 0.000 0.936 190 Q CA 0.455 56.255 55.803 -0.005 0.000 0.878 190 Q CB 0.531 29.288 28.738 0.031 0.000 0.983 190 Q HN 0.276 nan 8.270 nan 0.000 0.516 191 L N -1.292 119.922 121.223 -0.016 0.000 2.731 191 L HA 0.346 4.696 4.340 0.016 0.000 0.240 191 L C 0.853 177.695 176.870 -0.047 0.000 1.120 191 L CA 0.260 55.099 54.840 -0.001 0.000 0.913 191 L CB 0.734 42.825 42.059 0.054 0.000 1.213 191 L HN 0.321 nan 8.230 nan 0.000 0.515 192 G N 1.488 110.185 108.800 -0.171 0.000 2.176 192 G HA2 -0.274 3.695 3.960 0.016 0.000 0.252 192 G HA3 -0.274 3.695 3.960 0.016 0.000 0.252 192 G C -0.126 174.716 174.900 -0.096 0.000 1.024 192 G CA 0.067 44.962 45.100 -0.340 0.000 0.755 192 G HN 0.217 nan 8.290 nan 0.000 0.507 193 L N 1.061 122.332 121.223 0.079 0.000 2.322 193 L HA 0.668 5.018 4.340 0.016 0.000 0.281 193 L C 0.904 177.950 176.870 0.292 0.000 1.014 193 L CA -0.447 54.518 54.840 0.208 0.000 0.815 193 L CB 2.087 44.259 42.059 0.188 0.000 1.247 193 L HN 0.333 nan 8.230 nan 0.000 0.421 194 T N -0.365 114.339 114.554 0.250 0.000 2.875 194 T HA 0.850 5.210 4.350 0.016 0.000 0.284 194 T C 0.022 174.765 174.700 0.071 0.000 0.995 194 T CA -0.488 61.692 62.100 0.135 0.000 1.060 194 T CB 2.015 70.915 68.868 0.054 0.000 0.967 194 T HN 0.749 nan 8.240 nan 0.000 0.476 195 G N -0.258 108.552 108.800 0.016 0.000 2.663 195 G HA2 0.566 4.536 3.960 0.016 0.000 0.299 195 G HA3 0.566 4.536 3.960 0.016 0.000 0.299 195 G C -1.480 173.400 174.900 -0.032 0.000 1.372 195 G CA -0.737 44.355 45.100 -0.014 0.000 0.781 195 G HN 0.979 nan 8.290 nan 0.000 0.491 196 C N -0.527 118.746 119.300 -0.045 0.000 2.614 196 C HA 0.968 5.437 4.460 0.016 0.000 0.320 196 C C 0.444 175.401 174.990 -0.056 0.000 1.200 196 C CA 0.055 59.059 59.018 -0.023 0.000 1.700 196 C CB 0.993 28.741 27.740 0.013 0.000 2.275 196 C HN 1.147 nan 8.230 nan 0.000 0.492 197 A N 1.058 123.865 122.820 -0.020 0.000 2.414 197 A HA 0.907 5.237 4.320 0.016 0.000 0.306 197 A C -0.496 177.105 177.584 0.028 0.000 1.054 197 A CA -0.227 51.788 52.037 -0.036 0.000 0.724 197 A CB 1.287 20.247 19.000 -0.065 0.000 1.267 197 A HN 1.278 nan 8.150 nan 0.000 0.418 198 G N 0.183 109.007 108.800 0.040 0.000 2.590 198 G HA2 0.568 4.538 3.960 0.016 0.000 0.310 198 G HA3 0.568 4.538 3.960 0.016 0.000 0.310 198 G C -1.255 173.672 174.900 0.045 0.000 1.347 198 G CA -0.408 44.726 45.100 0.057 0.000 0.963 198 G HN 0.861 nan 8.290 nan 0.000 0.494 199 V N 1.104 121.041 119.914 0.038 0.000 2.435 199 V HA 0.881 5.011 4.120 0.016 0.000 0.290 199 V C 0.437 176.549 176.094 0.031 0.000 1.030 199 V CA 0.063 62.383 62.300 0.032 0.000 0.881 199 V CB 0.831 32.665 31.823 0.018 0.000 0.983 199 V HN 1.277 nan 8.190 nan 0.000 0.445 200 A N 3.141 125.983 122.820 0.036 0.000 2.515 200 A HA 0.687 5.017 4.320 0.016 0.000 0.299 200 A C 0.543 178.147 177.584 0.032 0.000 1.179 200 A CA 0.249 52.301 52.037 0.025 0.000 0.656 200 A CB 0.996 20.005 19.000 0.015 0.000 1.306 200 A HN 1.006 nan 8.150 nan 0.000 0.459 201 S N -0.335 115.380 115.700 0.025 0.000 2.528 201 S HA 0.148 4.627 4.470 0.016 0.000 0.219 201 S C 0.407 175.021 174.600 0.023 0.000 0.985 201 S CA 0.588 58.803 58.200 0.026 0.000 0.914 201 S CB -0.756 62.458 63.200 0.023 0.000 0.776 201 S HN 1.040 nan 8.310 nan 0.000 0.526 202 N N -0.385 118.329 118.700 0.023 0.000 2.732 202 N HA 0.313 5.063 4.740 0.016 0.000 0.259 202 N C -0.272 175.259 175.510 0.034 0.000 1.402 202 N CA -0.999 52.059 53.050 0.013 0.000 0.829 202 N CB 1.053 39.534 38.487 -0.010 0.000 1.495 202 N HN -0.216 nan 8.380 nan 0.000 0.511 203 K N 0.116 120.504 120.400 -0.020 0.000 2.032 203 K HA -0.088 4.242 4.320 0.016 0.000 0.209 203 K C 1.833 178.486 176.600 0.088 0.000 1.048 203 K CA 1.102 57.378 56.287 -0.017 0.000 0.927 203 K CB -0.365 31.800 32.500 -0.558 0.000 0.712 203 K HN 0.429 nan 8.250 nan 0.000 0.441 204 L N 0.956 122.167 121.223 -0.020 0.000 1.978 204 L HA -0.271 4.079 4.340 0.016 0.000 0.218 204 L C 2.222 179.078 176.870 -0.024 0.000 1.075 204 L CA 1.585 56.411 54.840 -0.023 0.000 0.767 204 L CB -0.298 41.735 42.059 -0.042 0.000 0.890 204 L HN 0.180 nan 8.230 nan 0.000 0.434 205 L N -0.145 121.065 121.223 -0.023 0.000 2.056 205 L HA -0.120 4.230 4.340 0.016 0.000 0.207 205 L C 2.888 179.735 176.870 -0.038 0.000 1.078 205 L CA 1.910 56.721 54.840 -0.049 0.000 0.749 205 L CB -1.852 40.183 42.059 -0.040 0.000 0.901 205 L HN 0.283 nan 8.230 nan 0.000 0.433 206 A N -0.390 122.448 122.820 0.030 0.000 1.892 206 A HA -0.305 4.025 4.320 0.016 0.000 0.218 206 A C 2.489 180.042 177.584 -0.052 0.000 1.188 206 A CA 2.261 54.331 52.037 0.055 0.000 0.631 206 A CB -0.531 18.578 19.000 0.182 0.000 0.822 206 A HN 0.410 nan 8.150 nan 0.000 0.447 207 K N -0.405 119.909 120.400 -0.142 0.000 2.001 207 K HA -0.048 4.281 4.320 0.016 0.000 0.208 207 K C 1.924 178.370 176.600 -0.258 0.000 1.048 207 K CA 1.427 57.421 56.287 -0.489 0.000 0.932 207 K CB -0.347 31.933 32.500 -0.367 0.000 0.715 207 K HN 0.461 nan 8.250 nan 0.000 0.437 208 L N 0.446 121.572 121.223 -0.161 0.000 2.079 208 L HA -0.167 4.182 4.340 0.016 0.000 0.210 208 L C 2.443 179.223 176.870 -0.150 0.000 1.081 208 L CA 0.827 55.579 54.840 -0.147 0.000 0.752 208 L CB -0.406 41.561 42.059 -0.152 0.000 0.896 208 L HN 0.129 nan 8.230 nan 0.000 0.433 209 V N -0.478 119.350 119.914 -0.144 0.000 2.591 209 V HA -0.192 3.938 4.120 0.016 0.000 0.249 209 V C 2.684 178.773 176.094 -0.008 0.000 1.053 209 V CA 1.667 63.894 62.300 -0.122 0.000 1.068 209 V CB 0.133 31.890 31.823 -0.110 0.000 0.689 209 V HN 0.669 nan 8.190 nan 0.000 0.462 210 S N 0.437 116.144 115.700 0.013 0.000 2.400 210 S HA -0.090 4.390 4.470 0.016 0.000 0.232 210 S C 1.821 176.464 174.600 0.072 0.000 1.025 210 S CA 1.505 59.754 58.200 0.081 0.000 0.993 210 S CB -0.807 62.515 63.200 0.203 0.000 0.808 210 S HN 0.662 nan 8.310 nan 0.000 0.478 211 G N 0.232 109.049 108.800 0.028 0.000 3.233 211 G HA2 0.325 4.294 3.960 0.016 0.000 0.227 211 G HA3 0.325 4.294 3.960 0.016 0.000 0.227 211 G C 1.020 175.908 174.900 -0.020 0.000 1.175 211 G CA 0.268 45.378 45.100 0.016 0.000 0.781 211 G HN 0.428 nan 8.290 nan 0.000 0.542 212 V N 0.061 119.959 119.914 -0.026 0.000 2.307 212 V HA 0.109 4.238 4.120 0.016 0.000 0.245 212 V C 0.619 176.467 176.094 -0.409 0.000 1.045 212 V CA 1.059 63.256 62.300 -0.172 0.000 1.024 212 V CB -0.470 31.309 31.823 -0.074 0.000 0.651 212 V HN 0.258 nan 8.190 nan 0.000 0.449 213 F N 1.231 121.143 119.950 -0.063 0.000 2.426 213 F HA 0.607 5.138 4.527 0.006 0.000 0.348 213 F C 0.114 175.888 175.800 -0.044 0.000 1.124 213 F CA -0.876 57.048 58.000 -0.127 0.000 1.008 213 F CB 1.103 39.870 39.000 -0.390 0.000 1.139 213 F HN 0.073 nan 8.300 nan 0.000 0.452 214 K N 2.226 122.692 120.400 0.110 0.000 2.509 214 K HA 0.679 5.009 4.320 0.016 0.000 0.266 214 K C -2.740 173.849 176.600 -0.019 0.000 0.987 214 K CA -1.703 54.617 56.287 0.054 0.000 0.868 214 K CB 1.870 34.411 32.500 0.068 0.000 1.421 214 K HN 0.149 nan 8.250 nan 0.000 0.444 215 P HA 0.014 nan 4.420 nan 0.000 0.217 215 P C 0.170 177.388 177.300 -0.138 0.000 1.153 215 P CA 0.670 63.595 63.100 -0.291 0.000 0.843 215 P CB 0.141 31.366 31.700 -0.792 0.000 0.794 216 N N -0.341 118.291 118.700 -0.114 0.000 2.389 216 N HA 0.112 4.862 4.740 0.016 0.000 0.260 216 N C -0.198 175.292 175.510 -0.033 0.000 1.191 216 N CA -0.023 52.979 53.050 -0.080 0.000 0.885 216 N CB 0.029 38.445 38.487 -0.118 0.000 1.162 216 N HN 0.193 nan 8.380 nan 0.000 0.512 217 Q N -0.381 119.435 119.800 0.028 0.000 2.418 217 Q HA 0.453 4.803 4.340 0.016 0.000 0.276 217 Q C -0.641 175.426 176.000 0.112 0.000 1.081 217 Q CA -0.825 55.034 55.803 0.093 0.000 0.864 217 Q CB 1.934 30.811 28.738 0.231 0.000 1.384 217 Q HN 0.322 nan 8.270 nan 0.000 0.467 218 Q N -0.846 119.041 119.800 0.144 0.000 2.456 218 Q HA 0.767 5.117 4.340 0.016 0.000 0.283 218 Q C -1.388 174.746 176.000 0.223 0.000 1.084 218 Q CA -0.887 54.997 55.803 0.135 0.000 0.801 218 Q CB 2.317 31.074 28.738 0.032 0.000 1.434 218 Q HN 0.469 nan 8.270 nan 0.000 0.419 219 T N 0.457 115.132 114.554 0.201 0.000 2.916 219 T HA 0.504 4.864 4.350 0.016 0.000 0.305 219 T C -1.538 173.251 174.700 0.149 0.000 1.119 219 T CA -0.713 61.536 62.100 0.249 0.000 1.008 219 T CB 1.951 71.046 68.868 0.378 0.000 1.129 219 T HN 0.508 nan 8.240 nan 0.000 0.480 220 V N 3.306 123.301 119.914 0.134 0.000 2.487 220 V HA 0.724 4.854 4.120 0.016 0.000 0.298 220 V C -1.186 174.966 176.094 0.095 0.000 1.028 220 V CA -1.021 61.325 62.300 0.078 0.000 0.860 220 V CB 1.397 33.239 31.823 0.031 0.000 0.991 220 V HN 0.795 nan 8.190 nan 0.000 0.427 221 L N 7.877 129.137 121.223 0.060 0.000 2.259 221 L HA 0.547 4.897 4.340 0.016 0.000 0.288 221 L C -0.446 176.429 176.870 0.008 0.000 1.051 221 L CA 0.224 55.101 54.840 0.062 0.000 0.824 221 L CB 0.729 42.781 42.059 -0.011 0.000 1.206 221 L HN 0.635 nan 8.230 nan 0.000 0.429 222 L N 7.219 128.427 121.223 -0.025 0.000 2.439 222 L HA 0.247 4.597 4.340 0.016 0.000 0.269 222 L C -1.205 175.651 176.870 -0.024 0.000 1.179 222 L CA -1.434 53.320 54.840 -0.145 0.000 0.828 222 L CB 0.323 42.168 42.059 -0.357 0.000 1.106 222 L HN 0.485 nan 8.230 nan 0.000 0.467 223 P HA -0.140 nan 4.420 nan 0.000 0.218 223 P C 0.708 178.062 177.300 0.090 0.000 1.149 223 P CA 0.972 64.111 63.100 0.064 0.000 0.817 223 P CB 0.238 31.992 31.700 0.090 0.000 0.785 224 E N -1.150 119.118 120.200 0.114 0.000 2.472 224 E HA -0.017 4.343 4.350 0.016 0.000 0.200 224 E C 1.360 178.033 176.600 0.122 0.000 1.046 224 E CA 0.732 57.203 56.400 0.118 0.000 0.871 224 E CB -0.721 29.058 29.700 0.131 0.000 0.806 224 E HN 0.127 nan 8.360 nan 0.000 0.533 225 S N -0.849 114.930 115.700 0.131 0.000 2.539 225 S HA 0.023 4.503 4.470 0.016 0.000 0.221 225 S C 1.488 176.224 174.600 0.226 0.000 0.987 225 S CA -0.287 58.033 58.200 0.200 0.000 0.929 225 S CB -0.096 63.251 63.200 0.245 0.000 0.832 225 S HN 0.551 nan 8.310 nan 0.000 0.492 226 C N 2.138 121.519 119.300 0.135 0.000 2.413 226 C HA -0.128 4.342 4.460 0.016 0.000 0.276 226 C C 2.638 177.677 174.990 0.083 0.000 1.236 226 C CA 1.204 60.268 59.018 0.077 0.000 1.735 226 C CB -0.880 26.895 27.740 0.058 0.000 2.031 226 C HN 0.472 nan 8.230 nan 0.000 0.474 227 Q N -0.126 119.752 119.800 0.130 0.000 2.084 227 Q HA -0.182 4.168 4.340 0.016 0.000 0.202 227 Q C 2.132 178.248 176.000 0.194 0.000 0.978 227 Q CA 1.845 57.734 55.803 0.143 0.000 0.844 227 Q CB -1.109 27.761 28.738 0.220 0.000 0.898 227 Q HN 0.831 nan 8.270 nan 0.000 0.426 228 H N 0.777 119.953 119.070 0.177 0.000 2.353 228 H HA -0.084 4.482 4.556 0.016 0.000 0.298 228 H C 2.035 177.504 175.328 0.235 0.000 1.103 228 H CA 1.239 57.421 56.048 0.223 0.000 1.293 228 H CB -0.107 29.804 29.762 0.248 0.000 1.372 228 H HN 0.198 nan 8.280 nan 0.000 0.501 229 L N -0.088 121.306 121.223 0.285 0.000 2.005 229 L HA -0.159 4.190 4.340 0.016 0.000 0.207 229 L C 2.670 179.490 176.870 -0.083 0.000 1.072 229 L CA 1.110 55.933 54.840 -0.030 0.000 0.744 229 L CB -0.348 41.483 42.059 -0.379 0.000 0.895 229 L HN 0.191 nan 8.230 nan 0.000 0.433 230 I N -0.329 120.171 120.570 -0.117 0.000 2.264 230 I HA -0.348 3.832 4.170 0.016 0.000 0.248 230 I C 2.370 178.329 176.117 -0.263 0.000 1.111 230 I CA 1.558 62.725 61.300 -0.221 0.000 1.382 230 I CB -0.339 37.492 38.000 -0.281 0.000 1.060 230 I HN 0.307 nan 8.210 nan 0.000 0.418 231 H N -0.852 118.167 119.070 -0.086 0.000 2.551 231 H HA 0.136 4.701 4.556 0.015 0.000 0.266 231 H C 2.352 177.608 175.328 -0.121 0.000 0.977 231 H CA 0.992 56.974 56.048 -0.109 0.000 1.163 231 H CB -0.077 29.620 29.762 -0.109 0.000 1.381 231 H HN 0.414 nan 8.280 nan 0.000 0.581 232 S N 0.493 116.177 115.700 -0.027 0.000 2.423 232 S HA -0.029 4.451 4.470 0.016 0.000 0.231 232 S C 1.152 175.736 174.600 -0.026 0.000 1.014 232 S CA 0.030 58.209 58.200 -0.035 0.000 0.965 232 S CB -0.506 62.707 63.200 0.021 0.000 0.785 232 S HN 0.157 nan 8.310 nan 0.000 0.495 233 L N 2.403 123.601 121.223 -0.042 0.000 2.485 233 L HA 0.197 4.546 4.340 0.016 0.000 0.275 233 L C 1.194 178.049 176.870 -0.025 0.000 1.207 233 L CA -0.406 54.408 54.840 -0.042 0.000 0.855 233 L CB 0.065 42.081 42.059 -0.072 0.000 1.114 233 L HN 0.192 nan 8.230 nan 0.000 0.485 234 N N -0.298 118.400 118.700 -0.002 0.000 2.414 234 N HA 0.039 4.789 4.740 0.016 0.000 0.177 234 N C 0.105 175.660 175.510 0.075 0.000 1.062 234 N CA 0.560 53.625 53.050 0.025 0.000 0.890 234 N CB 0.521 39.026 38.487 0.030 0.000 1.070 234 N HN 0.546 nan 8.380 nan 0.000 0.454 235 H N -0.118 118.921 119.070 -0.053 0.000 2.851 235 H HA 0.179 4.744 4.556 0.015 0.000 0.372 235 H C 1.144 176.428 175.328 -0.073 0.000 1.158 235 H CA -0.447 55.564 56.048 -0.062 0.000 1.159 235 H CB 2.465 32.191 29.762 -0.059 0.000 1.757 235 H HN -0.166 nan 8.280 nan 0.000 0.546 236 I N 0.589 120.991 120.570 -0.280 0.000 2.236 236 I HA -0.242 3.938 4.170 0.016 0.000 0.249 236 I C 2.201 178.293 176.117 -0.042 0.000 1.102 236 I CA 1.230 62.425 61.300 -0.174 0.000 1.365 236 I CB -0.299 37.555 38.000 -0.243 0.000 1.051 236 I HN 0.233 nan 8.210 nan 0.000 0.420 237 K N 1.505 121.953 120.400 0.079 0.000 2.442 237 K HA -0.189 4.141 4.320 0.016 0.000 0.200 237 K C 1.544 178.161 176.600 0.027 0.000 1.045 237 K CA 1.496 57.822 56.287 0.065 0.000 0.937 237 K CB -0.132 32.425 32.500 0.095 0.000 0.757 237 K HN 0.629 nan 8.250 nan 0.000 0.474 238 E N -0.245 119.963 120.200 0.014 0.000 2.442 238 E HA 0.058 4.418 4.350 0.016 0.000 0.195 238 E C 0.065 176.642 176.600 -0.038 0.000 1.030 238 E CA -0.107 56.285 56.400 -0.012 0.000 0.869 238 E CB 0.289 29.981 29.700 -0.013 0.000 0.857 238 E HN 0.216 nan 8.360 nan 0.000 0.505 239 I N 4.072 124.613 120.570 -0.049 0.000 2.379 239 I HA 0.066 4.246 4.170 0.016 0.000 0.290 239 I C -2.122 173.970 176.117 -0.042 0.000 1.063 239 I CA -2.212 59.052 61.300 -0.060 0.000 1.351 239 I CB 0.568 38.521 38.000 -0.078 0.000 1.410 239 I HN -0.234 nan 8.210 nan 0.000 0.505 240 P HA 0.037 nan 4.420 nan 0.000 0.261 240 P C 0.721 178.006 177.300 -0.026 0.000 1.203 240 P CA 0.715 63.802 63.100 -0.022 0.000 0.767 240 P CB 0.788 32.480 31.700 -0.014 0.000 0.785 241 G N 3.704 112.493 108.800 -0.019 0.000 3.033 241 G HA2 -0.145 3.825 3.960 0.016 0.000 0.196 241 G HA3 -0.145 3.825 3.960 0.016 0.000 0.196 241 G C -0.119 174.770 174.900 -0.019 0.000 1.078 241 G CA -0.462 44.624 45.100 -0.022 0.000 0.805 241 G HN 0.467 nan 8.290 nan 0.000 0.472 242 I N 2.611 123.166 120.570 -0.024 0.000 2.325 242 I HA 0.607 4.787 4.170 0.016 0.000 0.291 242 I C 0.972 177.086 176.117 -0.005 0.000 1.019 242 I CA -0.065 61.221 61.300 -0.024 0.000 1.302 242 I CB 1.268 39.242 38.000 -0.044 0.000 1.401 242 I HN 0.324 nan 8.210 nan 0.000 0.485 243 G N 3.356 112.161 108.800 0.007 0.000 3.211 243 G HA2 0.210 4.179 3.960 0.016 0.000 0.262 243 G HA3 0.210 4.179 3.960 0.016 0.000 0.262 243 G C 0.034 174.970 174.900 0.059 0.000 1.352 243 G CA -0.413 44.712 45.100 0.042 0.000 1.004 243 G HN 0.563 nan 8.290 nan 0.000 0.559 244 Y N 0.706 120.997 120.300 -0.016 0.000 2.062 244 Y HA -0.250 4.309 4.550 0.016 0.000 0.276 244 Y C 3.130 179.020 175.900 -0.016 0.000 1.189 244 Y CA 4.176 62.265 58.100 -0.017 0.000 1.130 244 Y CB -0.222 38.226 38.460 -0.020 0.000 0.959 244 Y HN 0.530 nan 8.280 nan 0.000 0.499 245 K N -0.861 119.578 120.400 0.065 0.000 2.062 245 K HA -0.063 4.267 4.320 0.016 0.000 0.205 245 K C 1.986 178.542 176.600 -0.073 0.000 1.051 245 K CA 1.865 58.141 56.287 -0.019 0.000 0.941 245 K CB -1.627 30.913 32.500 0.066 0.000 0.719 245 K HN 0.507 nan 8.250 nan 0.000 0.440 246 T N 0.605 115.133 114.554 -0.044 0.000 2.821 246 T HA 0.060 4.420 4.350 0.016 0.000 0.267 246 T C 2.402 177.054 174.700 -0.081 0.000 1.046 246 T CA 1.157 63.225 62.100 -0.053 0.000 1.139 246 T CB -0.395 68.451 68.868 -0.036 0.000 0.871 246 T HN 0.584 nan 8.240 nan 0.000 0.454 247 A N 1.851 124.619 122.820 -0.087 0.000 1.883 247 A HA -0.123 4.207 4.320 0.016 0.000 0.217 247 A C 2.297 179.818 177.584 -0.104 0.000 1.186 247 A CA 1.384 53.376 52.037 -0.075 0.000 0.624 247 A CB -0.414 18.557 19.000 -0.047 0.000 0.822 247 A HN 0.204 nan 8.150 nan 0.000 0.444 248 K N -0.601 119.684 120.400 -0.191 0.000 2.296 248 K HA -0.028 4.302 4.320 0.016 0.000 0.200 248 K C 1.904 178.426 176.600 -0.130 0.000 1.048 248 K CA 0.859 57.028 56.287 -0.198 0.000 0.966 248 K CB -0.496 31.805 32.500 -0.333 0.000 0.754 248 K HN 0.568 nan 8.250 nan 0.000 0.466 249 C N 0.499 119.731 119.300 -0.112 0.000 2.457 249 C HA 0.008 4.477 4.460 0.016 0.000 0.278 249 C C 2.644 177.573 174.990 -0.101 0.000 1.309 249 C CA 0.341 59.308 59.018 -0.086 0.000 1.735 249 C CB -0.701 26.999 27.740 -0.067 0.000 1.992 249 C HN 0.386 nan 8.230 nan 0.000 0.493 250 L N 0.429 121.577 121.223 -0.125 0.000 2.072 250 L HA -0.132 4.218 4.340 0.016 0.000 0.205 250 L C 2.603 179.362 176.870 -0.185 0.000 1.079 250 L CA 1.633 56.359 54.840 -0.189 0.000 0.752 250 L CB -0.784 41.150 42.059 -0.208 0.000 0.906 250 L HN 0.402 nan 8.230 nan 0.000 0.436 251 E N 0.682 120.815 120.200 -0.112 0.000 2.070 251 E HA -0.301 4.058 4.350 0.016 0.000 0.197 251 E C 2.131 178.689 176.600 -0.070 0.000 1.004 251 E CA 1.540 57.901 56.400 -0.064 0.000 0.805 251 E CB -0.094 29.592 29.700 -0.024 0.000 0.744 251 E HN 0.448 nan 8.360 nan 0.000 0.451 252 A N -0.102 122.676 122.820 -0.070 0.000 2.186 252 A HA -0.129 4.200 4.320 0.016 0.000 0.219 252 A C 1.782 179.344 177.584 -0.038 0.000 1.159 252 A CA 1.020 53.028 52.037 -0.048 0.000 0.680 252 A CB -0.195 18.777 19.000 -0.045 0.000 0.787 252 A HN 0.281 nan 8.150 nan 0.000 0.467 253 L N -2.158 119.025 121.223 -0.067 0.000 2.616 253 L HA 0.345 4.695 4.340 0.016 0.000 0.229 253 L C 1.558 178.413 176.870 -0.026 0.000 1.110 253 L CA 1.113 55.932 54.840 -0.035 0.000 0.884 253 L CB 0.157 42.173 42.059 -0.071 0.000 1.115 253 L HN 0.537 nan 8.230 nan 0.000 0.481 254 G N 0.078 108.835 108.800 -0.071 0.000 2.138 254 G HA2 -0.215 3.754 3.960 0.016 0.000 0.193 254 G HA3 -0.215 3.754 3.960 0.016 0.000 0.193 254 G C 0.186 175.016 174.900 -0.118 0.000 0.998 254 G CA -0.240 44.833 45.100 -0.045 0.000 0.668 254 G HN 0.206 nan 8.290 nan 0.000 0.516 255 I N 1.520 121.943 120.570 -0.246 0.000 2.313 255 I HA 0.314 4.494 4.170 0.016 0.000 0.286 255 I C 0.824 176.786 176.117 -0.258 0.000 1.091 255 I CA -0.793 60.303 61.300 -0.340 0.000 1.216 255 I CB 0.717 38.357 38.000 -0.600 0.000 1.434 255 I HN -0.001 nan 8.210 nan 0.000 0.487 256 N N 2.347 120.921 118.700 -0.209 0.000 2.499 256 N HA 0.037 4.786 4.740 0.016 0.000 0.182 256 N C 0.718 175.969 175.510 -0.432 0.000 1.034 256 N CA 0.404 53.297 53.050 -0.262 0.000 0.882 256 N CB 0.366 38.835 38.487 -0.031 0.000 1.125 256 N HN 0.564 nan 8.380 nan 0.000 0.436 257 S N -0.144 115.414 115.700 -0.237 0.000 2.687 257 S HA 0.361 4.841 4.470 0.016 0.000 0.283 257 S C 1.636 176.122 174.600 -0.190 0.000 1.170 257 S CA -0.771 57.316 58.200 -0.189 0.000 1.008 257 S CB 1.835 64.987 63.200 -0.080 0.000 1.026 257 S HN -0.120 nan 8.310 nan 0.000 0.541 258 V N 1.537 121.356 119.914 -0.157 0.000 2.317 258 V HA -0.225 3.904 4.120 0.016 0.000 0.251 258 V C 2.870 178.880 176.094 -0.140 0.000 1.065 258 V CA 2.476 64.668 62.300 -0.180 0.000 1.049 258 V CB -1.075 30.617 31.823 -0.219 0.000 0.651 258 V HN 0.964 nan 8.190 nan 0.000 0.450 259 R N -0.306 120.199 120.500 0.008 0.000 2.115 259 R HA -0.165 4.185 4.340 0.016 0.000 0.230 259 R C 1.994 178.280 176.300 -0.022 0.000 1.111 259 R CA 1.635 57.766 56.100 0.052 0.000 0.976 259 R CB -0.254 30.093 30.300 0.078 0.000 0.870 259 R HN 0.539 nan 8.270 nan 0.000 0.445 260 D N 0.588 120.961 120.400 -0.046 0.000 2.117 260 D HA -0.177 4.473 4.640 0.016 0.000 0.197 260 D C 1.757 178.036 176.300 -0.035 0.000 0.987 260 D CA 0.801 54.787 54.000 -0.024 0.000 0.829 260 D CB -0.179 40.567 40.800 -0.090 0.000 0.961 260 D HN 0.137 nan 8.370 nan 0.000 0.460 261 L N 1.102 122.243 121.223 -0.136 0.000 2.046 261 L HA -0.179 4.170 4.340 0.016 0.000 0.208 261 L C 2.177 178.983 176.870 -0.107 0.000 1.077 261 L CA 1.690 56.446 54.840 -0.140 0.000 0.747 261 L CB -0.632 41.311 42.059 -0.194 0.000 0.896 261 L HN 0.030 nan 8.230 nan 0.000 0.432 262 Q N -1.240 118.415 119.800 -0.241 0.000 2.061 262 Q HA -0.209 4.140 4.340 0.016 0.000 0.204 262 Q C 1.855 177.842 176.000 -0.021 0.000 0.984 262 Q CA 2.406 57.947 55.803 -0.437 0.000 0.846 262 Q CB -0.386 27.991 28.738 -0.602 0.000 0.902 262 Q HN 0.723 nan 8.270 nan 0.000 0.421 263 T N -2.489 112.099 114.554 0.056 0.000 3.065 263 T HA 0.051 4.411 4.350 0.016 0.000 0.252 263 T C 0.457 175.246 174.700 0.148 0.000 1.099 263 T CA -0.333 61.838 62.100 0.118 0.000 1.063 263 T CB -0.129 68.791 68.868 0.087 0.000 0.948 263 T HN -0.042 nan 8.240 nan 0.000 0.506 264 F N 3.295 123.245 119.950 -0.000 0.000 2.553 264 F HA 0.366 4.902 4.527 0.016 0.000 0.356 264 F C 1.053 176.866 175.800 0.021 0.000 1.142 264 F CA -0.730 57.271 58.000 0.001 0.000 1.322 264 F CB 0.697 39.687 39.000 -0.016 0.000 1.126 264 F HN 0.056 nan 8.300 nan 0.000 0.599 265 S N 6.273 121.788 115.700 -0.309 0.000 2.515 265 S HA 0.094 4.573 4.470 0.016 0.000 0.285 265 S C -1.495 173.107 174.600 0.003 0.000 1.265 265 S CA -1.120 56.983 58.200 -0.161 0.000 1.079 265 S CB 0.585 63.624 63.200 -0.267 0.000 0.877 265 S HN 0.411 nan 8.310 nan 0.000 0.493 266 P HA -0.136 nan 4.420 nan 0.000 0.218 266 P C 0.999 178.332 177.300 0.056 0.000 1.146 266 P CA 1.064 64.206 63.100 0.070 0.000 0.813 266 P CB 0.138 31.868 31.700 0.049 0.000 0.778 267 K N -0.524 119.888 120.400 0.021 0.000 2.062 267 K HA 0.031 4.360 4.320 0.016 0.000 0.205 267 K C 2.057 178.677 176.600 0.035 0.000 1.051 267 K CA 1.166 57.462 56.287 0.014 0.000 0.941 267 K CB -1.144 31.349 32.500 -0.012 0.000 0.719 267 K HN 0.279 nan 8.250 nan 0.000 0.440 268 I N 0.850 121.445 120.570 0.042 0.000 2.439 268 I HA -0.196 3.984 4.170 0.016 0.000 0.251 268 I C 2.196 178.424 176.117 0.185 0.000 1.139 268 I CA 0.448 61.815 61.300 0.112 0.000 1.438 268 I CB -0.282 37.789 38.000 0.119 0.000 1.085 268 I HN -0.061 nan 8.210 nan 0.000 0.427 269 L N 0.994 122.343 121.223 0.210 0.000 2.046 269 L HA -0.191 4.159 4.340 0.016 0.000 0.208 269 L C 2.441 179.360 176.870 0.080 0.000 1.077 269 L CA 1.893 56.828 54.840 0.158 0.000 0.747 269 L CB -0.589 41.565 42.059 0.158 0.000 0.896 269 L HN 0.191 nan 8.230 nan 0.000 0.432 270 E N -0.484 119.756 120.200 0.066 0.000 2.038 270 E HA -0.242 4.117 4.350 0.016 0.000 0.195 270 E C 2.035 178.655 176.600 0.034 0.000 1.000 270 E CA 1.628 58.053 56.400 0.041 0.000 0.803 270 E CB -0.286 29.433 29.700 0.032 0.000 0.750 270 E HN 0.488 nan 8.360 nan 0.000 0.448 271 K N 1.404 121.827 120.400 0.040 0.000 2.616 271 K HA -0.112 4.218 4.320 0.016 0.000 0.192 271 K C 1.447 178.065 176.600 0.030 0.000 1.031 271 K CA 1.600 57.906 56.287 0.031 0.000 1.004 271 K CB -0.462 32.056 32.500 0.029 0.000 0.810 271 K HN 0.275 nan 8.250 nan 0.000 0.497 272 E N -1.046 119.172 120.200 0.031 0.000 2.508 272 E HA 0.111 4.471 4.350 0.016 0.000 0.217 272 E C 1.001 177.605 176.600 0.007 0.000 0.896 272 E CA 0.241 56.651 56.400 0.018 0.000 1.118 272 E CB 0.345 30.057 29.700 0.020 0.000 1.133 272 E HN 0.355 nan 8.360 nan 0.000 0.526 273 L N -1.615 119.614 121.223 0.009 0.000 3.086 273 L HA 0.667 5.016 4.340 0.016 0.000 0.274 273 L C 0.657 177.530 176.870 0.004 0.000 1.184 273 L CA -0.035 54.806 54.840 0.002 0.000 1.002 273 L CB 0.998 43.052 42.059 -0.008 0.000 1.383 273 L HN 0.104 nan 8.230 nan 0.000 0.582 274 G N 0.756 109.561 108.800 0.008 0.000 2.784 274 G HA2 -0.117 3.853 3.960 0.016 0.000 0.686 274 G HA3 -0.117 3.853 3.960 0.016 0.000 0.686 274 G C -0.067 174.840 174.900 0.011 0.000 1.156 274 G CA -0.202 44.902 45.100 0.008 0.000 0.757 274 G HN 0.045 nan 8.290 nan 0.000 0.642 275 I N 1.628 122.204 120.570 0.011 0.000 2.546 275 I HA 0.027 4.206 4.170 0.016 0.000 0.255 275 I C 2.472 178.595 176.117 0.010 0.000 1.163 275 I CA 2.552 63.859 61.300 0.013 0.000 1.457 275 I CB -0.240 37.766 38.000 0.010 0.000 1.092 275 I HN 0.881 nan 8.210 nan 0.000 0.434 276 S N -0.301 115.403 115.700 0.006 0.000 2.354 276 S HA -0.178 4.302 4.470 0.016 0.000 0.219 276 S C 2.118 176.719 174.600 0.003 0.000 1.035 276 S CA 2.190 60.392 58.200 0.003 0.000 1.037 276 S CB -0.689 62.511 63.200 0.001 0.000 0.956 276 S HN 0.323 nan 8.310 nan 0.000 0.428 277 V N 2.229 122.144 119.914 0.003 0.000 2.261 277 V HA -0.131 3.998 4.120 0.016 0.000 0.246 277 V C 2.904 179.001 176.094 0.005 0.000 1.047 277 V CA 1.909 64.209 62.300 0.000 0.000 1.015 277 V CB -1.412 30.409 31.823 -0.003 0.000 0.642 277 V HN 0.645 nan 8.190 nan 0.000 0.446 278 A N -1.043 121.785 122.820 0.013 0.000 1.908 278 A HA -0.351 3.979 4.320 0.016 0.000 0.218 278 A C 2.182 179.786 177.584 0.033 0.000 1.181 278 A CA 2.403 54.455 52.037 0.025 0.000 0.627 278 A CB -0.590 18.431 19.000 0.035 0.000 0.818 278 A HN 0.606 nan 8.150 nan 0.000 0.445 279 Q N -0.974 118.842 119.800 0.026 0.000 2.119 279 Q HA -0.147 4.202 4.340 0.016 0.000 0.201 279 Q C 2.304 178.322 176.000 0.029 0.000 0.972 279 Q CA 1.748 57.568 55.803 0.029 0.000 0.847 279 Q CB -0.089 28.659 28.738 0.017 0.000 0.903 279 Q HN 0.699 nan 8.270 nan 0.000 0.433 280 R N 0.244 120.754 120.500 0.017 0.000 2.093 280 R HA -0.060 4.290 4.340 0.016 0.000 0.224 280 R C 2.151 178.459 176.300 0.013 0.000 1.101 280 R CA 1.296 57.402 56.100 0.011 0.000 0.979 280 R CB -0.226 30.072 30.300 -0.002 0.000 0.877 280 R HN 0.476 nan 8.270 nan 0.000 0.441 281 I N -1.629 118.946 120.570 0.008 0.000 2.761 281 I HA -0.028 4.152 4.170 0.016 0.000 0.261 281 I C 2.261 178.381 176.117 0.004 0.000 1.198 281 I CA 0.822 62.117 61.300 -0.007 0.000 1.482 281 I CB -0.311 37.673 38.000 -0.027 0.000 1.100 281 I HN 0.163 nan 8.210 nan 0.000 0.445 282 Q N 1.626 121.455 119.800 0.048 0.000 2.079 282 Q HA -0.159 4.191 4.340 0.016 0.000 0.200 282 Q C 2.087 178.219 176.000 0.219 0.000 0.974 282 Q CA 1.450 57.318 55.803 0.109 0.000 0.840 282 Q CB 0.146 28.984 28.738 0.167 0.000 0.898 282 Q HN 0.394 nan 8.270 nan 0.000 0.430 283 K N 0.461 120.970 120.400 0.181 0.000 2.002 283 K HA -0.146 4.184 4.320 0.016 0.000 0.209 283 K C 2.150 178.836 176.600 0.144 0.000 1.048 283 K CA 1.122 57.528 56.287 0.199 0.000 0.930 283 K CB -0.698 31.852 32.500 0.084 0.000 0.714 283 K HN 0.320 nan 8.250 nan 0.000 0.438 284 L N 1.831 123.083 121.223 0.047 0.000 2.051 284 L HA -0.251 4.098 4.340 0.016 0.000 0.214 284 L C 2.572 179.411 176.870 -0.052 0.000 1.076 284 L CA 1.896 56.731 54.840 -0.008 0.000 0.758 284 L CB -0.958 41.081 42.059 -0.034 0.000 0.890 284 L HN 0.253 nan 8.230 nan 0.000 0.433 285 S N -0.779 114.861 115.700 -0.100 0.000 2.447 285 S HA -0.132 4.348 4.470 0.016 0.000 0.233 285 S C 1.544 175.932 174.600 -0.352 0.000 1.006 285 S CA 0.904 58.949 58.200 -0.257 0.000 0.957 285 S CB -0.669 62.324 63.200 -0.344 0.000 0.773 285 S HN 0.353 nan 8.310 nan 0.000 0.507 286 F N 2.155 122.060 119.950 -0.074 0.000 2.797 286 F HA 0.370 4.906 4.527 0.016 0.000 0.302 286 F C 1.901 177.660 175.800 -0.067 0.000 1.130 286 F CA 0.160 58.123 58.000 -0.063 0.000 1.387 286 F CB -0.287 38.696 39.000 -0.029 0.000 1.107 286 F HN 0.391 nan 8.300 nan 0.000 0.577 287 G N 0.917 109.741 108.800 0.040 0.000 2.147 287 G HA2 -0.290 3.680 3.960 0.016 0.000 0.244 287 G HA3 -0.290 3.680 3.960 0.016 0.000 0.244 287 G C -0.060 174.861 174.900 0.035 0.000 1.005 287 G CA -0.278 44.827 45.100 0.008 0.000 0.713 287 G HN 0.421 nan 8.290 nan 0.000 0.515 288 E N 0.447 120.687 120.200 0.067 0.000 2.113 288 E HA 0.496 4.855 4.350 0.016 0.000 0.273 288 E C -1.067 175.544 176.600 0.019 0.000 0.924 288 E CA -0.562 55.867 56.400 0.048 0.000 0.764 288 E CB 1.343 31.083 29.700 0.066 0.000 1.104 288 E HN 0.250 nan 8.360 nan 0.000 0.406 289 D N 2.598 122.996 120.400 -0.003 0.000 2.891 289 D HA 0.148 4.798 4.640 0.016 0.000 0.224 289 D C -0.835 175.448 176.300 -0.029 0.000 1.321 289 D CA -0.617 53.369 54.000 -0.023 0.000 0.929 289 D CB 0.720 41.496 40.800 -0.039 0.000 1.551 289 D HN 0.377 nan 8.370 nan 0.000 0.574 290 N N 0.997 119.679 118.700 -0.031 0.000 2.238 290 N HA 0.144 4.894 4.740 0.016 0.000 0.235 290 N C -0.511 174.974 175.510 -0.041 0.000 1.209 290 N CA -0.594 52.438 53.050 -0.030 0.000 0.879 290 N CB 0.804 39.279 38.487 -0.020 0.000 1.136 290 N HN 0.222 nan 8.380 nan 0.000 0.517 291 S N 0.825 116.489 115.700 -0.059 0.000 2.549 291 S HA 0.278 4.758 4.470 0.016 0.000 0.286 291 S C -1.982 172.567 174.600 -0.085 0.000 1.314 291 S CA -0.957 57.199 58.200 -0.074 0.000 1.062 291 S CB 0.547 63.688 63.200 -0.098 0.000 0.865 291 S HN 0.156 nan 8.310 nan 0.000 0.498 292 P HA 0.274 nan 4.420 nan 0.000 0.276 292 P C -0.556 176.692 177.300 -0.087 0.000 1.252 292 P CA -0.737 62.327 63.100 -0.059 0.000 0.802 292 P CB 0.533 32.213 31.700 -0.034 0.000 1.035 293 V N 2.577 122.452 119.914 -0.064 0.000 2.555 293 V HA 0.090 4.220 4.120 0.016 0.000 0.286 293 V C 0.684 176.767 176.094 -0.019 0.000 1.044 293 V CA -0.058 62.210 62.300 -0.053 0.000 1.026 293 V CB 0.244 32.076 31.823 0.014 0.000 0.981 293 V HN 0.343 nan 8.190 nan 0.000 0.480 294 I N 5.304 125.866 120.570 -0.014 0.000 2.377 294 I HA 0.270 4.450 4.170 0.016 0.000 0.293 294 I C 0.146 176.281 176.117 0.030 0.000 0.987 294 I CA -0.591 60.712 61.300 0.005 0.000 1.185 294 I CB 1.639 39.637 38.000 -0.003 0.000 1.341 294 I HN 0.449 nan 8.210 nan 0.000 0.455 295 L N 6.198 127.441 121.223 0.033 0.000 2.638 295 L HA 0.022 4.371 4.340 0.016 0.000 0.273 295 L C 1.299 178.197 176.870 0.047 0.000 1.147 295 L CA 0.448 55.315 54.840 0.044 0.000 0.941 295 L CB 0.796 42.879 42.059 0.040 0.000 1.251 295 L HN 0.739 nan 8.230 nan 0.000 0.479 296 S N 4.019 119.755 115.700 0.060 0.000 2.343 296 S HA 0.008 4.488 4.470 0.016 0.000 0.219 296 S C 1.170 175.815 174.600 0.075 0.000 1.033 296 S CA 0.752 58.993 58.200 0.068 0.000 1.014 296 S CB -0.323 62.926 63.200 0.081 0.000 0.915 296 S HN 1.095 nan 8.310 nan 0.000 0.435 297 G N 1.772 110.626 108.800 0.089 0.000 2.569 297 G HA2 -0.221 3.749 3.960 0.016 0.000 0.259 297 G HA3 -0.221 3.749 3.960 0.016 0.000 0.259 297 G C -2.763 172.200 174.900 0.105 0.000 1.263 297 G CA -0.394 44.758 45.100 0.086 0.000 0.928 297 G HN 0.427 nan 8.290 nan 0.000 0.572 298 P HA 0.392 nan 4.420 nan 0.000 0.270 298 P C -2.248 175.061 177.300 0.015 0.000 1.223 298 P CA -0.738 62.373 63.100 0.018 0.000 0.785 298 P CB -0.018 31.687 31.700 0.009 0.000 0.923 299 P HA 0.149 nan 4.420 nan 0.000 0.279 299 P C 0.545 177.753 177.300 -0.154 0.000 1.239 299 P CA -0.165 62.867 63.100 -0.113 0.000 0.789 299 P CB 0.539 32.059 31.700 -0.300 0.000 0.933 300 Q N 0.364 120.115 119.800 -0.082 0.000 2.230 300 Q HA 0.012 4.361 4.340 0.016 0.000 0.202 300 Q C 0.532 176.503 176.000 -0.048 0.000 0.963 300 Q CA 1.193 56.973 55.803 -0.039 0.000 0.866 300 Q CB -0.161 28.577 28.738 -0.000 0.000 0.931 300 Q HN 0.659 nan 8.270 nan 0.000 0.452 301 S N -0.906 114.716 115.700 -0.130 0.000 2.541 301 S HA 0.655 5.134 4.470 0.016 0.000 0.271 301 S C -1.038 173.430 174.600 -0.219 0.000 1.133 301 S CA -0.938 57.227 58.200 -0.058 0.000 0.876 301 S CB 0.980 64.204 63.200 0.039 0.000 1.105 301 S HN 0.032 nan 8.310 nan 0.000 0.470 302 F N 2.110 122.163 119.950 0.172 0.000 2.444 302 F HA 0.756 5.293 4.527 0.016 0.000 0.342 302 F C 0.820 176.708 175.800 0.147 0.000 1.121 302 F CA -0.221 57.885 58.000 0.177 0.000 0.997 302 F CB 2.170 41.291 39.000 0.201 0.000 1.130 302 F HN 0.908 nan 8.300 nan 0.000 0.454 303 S N 2.146 118.002 115.700 0.259 0.000 2.661 303 S HA 0.841 5.320 4.470 0.016 0.000 0.285 303 S C -1.234 173.443 174.600 0.129 0.000 1.138 303 S CA -0.751 57.535 58.200 0.143 0.000 0.855 303 S CB 2.705 65.951 63.200 0.077 0.000 1.136 303 S HN 0.659 nan 8.310 nan 0.000 0.484 304 E N -0.156 120.085 120.200 0.068 0.000 2.372 304 E HA 0.398 4.757 4.350 0.016 0.000 0.279 304 E C -1.850 174.760 176.600 0.018 0.000 0.946 304 E CA -0.655 55.779 56.400 0.057 0.000 0.769 304 E CB 2.356 32.098 29.700 0.069 0.000 1.230 304 E HN 0.772 nan 8.360 nan 0.000 0.442 305 E N 1.695 121.900 120.200 0.008 0.000 2.246 305 E HA 0.267 4.627 4.350 0.016 0.000 0.266 305 E C -1.399 175.174 176.600 -0.044 0.000 0.880 305 E CA -0.710 55.672 56.400 -0.029 0.000 0.762 305 E CB 2.387 32.062 29.700 -0.041 0.000 1.180 305 E HN 0.293 nan 8.360 nan 0.000 0.416 306 D N 1.683 122.036 120.400 -0.077 0.000 2.193 306 D HA 0.286 4.936 4.640 0.016 0.000 0.249 306 D C -1.032 175.048 176.300 -0.365 0.000 1.034 306 D CA -0.137 53.792 54.000 -0.118 0.000 0.902 306 D CB 2.021 42.818 40.800 -0.004 0.000 1.182 306 D HN 0.338 nan 8.370 nan 0.000 0.436 307 S N 1.553 117.036 115.700 -0.360 0.000 2.568 307 S HA 0.839 5.319 4.470 0.016 0.000 0.293 307 S C -1.303 173.035 174.600 -0.438 0.000 1.089 307 S CA -0.551 57.353 58.200 -0.493 0.000 0.945 307 S CB 0.617 63.703 63.200 -0.189 0.000 1.077 307 S HN 0.394 nan 8.310 nan 0.000 0.485 308 F N 0.136 120.078 119.950 -0.014 0.000 2.799 308 F HA 0.734 5.271 4.527 0.016 0.000 0.316 308 F C -1.196 174.575 175.800 -0.047 0.000 1.155 308 F CA -1.174 56.805 58.000 -0.034 0.000 0.916 308 F CB 0.534 39.523 39.000 -0.019 0.000 1.294 308 F HN 0.789 nan 8.300 nan 0.000 0.447 309 K N 0.668 121.203 120.400 0.225 0.000 2.610 309 K HA 0.517 4.846 4.320 0.016 0.000 0.278 309 K C -1.534 175.084 176.600 0.030 0.000 0.964 309 K CA -1.169 55.191 56.287 0.123 0.000 0.859 309 K CB 2.333 34.853 32.500 0.033 0.000 1.434 309 K HN 0.873 nan 8.250 nan 0.000 0.410 310 K N 1.189 121.591 120.400 0.003 0.000 2.402 310 K HA 0.274 4.604 4.320 0.016 0.000 0.265 310 K C -0.424 176.174 176.600 -0.003 0.000 0.978 310 K CA 1.051 57.353 56.287 0.026 0.000 0.913 310 K CB 0.354 32.844 32.500 -0.016 0.000 0.954 310 K HN 1.119 nan 8.250 nan 0.000 0.511 311 C N -0.534 118.750 119.300 -0.026 0.000 2.542 311 C HA 0.279 4.749 4.460 0.016 0.000 0.274 311 C C -0.786 174.035 174.990 -0.280 0.000 1.201 311 C CA 0.002 58.910 59.018 -0.183 0.000 1.207 311 C CB -0.644 26.922 27.740 -0.291 0.000 1.214 311 C HN 1.342 nan 8.230 nan 0.000 0.500 312 S N 1.909 117.426 115.700 -0.304 0.000 3.527 312 S HA -0.090 4.390 4.470 0.016 0.000 0.409 312 S C 0.227 174.842 174.600 0.025 0.000 0.900 312 S CA 1.029 59.163 58.200 -0.112 0.000 1.320 312 S CB -1.023 62.166 63.200 -0.018 0.000 0.915 312 S HN 1.635 nan 8.310 nan 0.000 0.575 313 S N 1.320 117.024 115.700 0.006 0.000 2.559 313 S HA 0.072 4.551 4.470 0.016 0.000 0.282 313 S C 0.747 175.365 174.600 0.030 0.000 1.336 313 S CA 0.153 58.372 58.200 0.031 0.000 1.037 313 S CB 0.371 63.576 63.200 0.007 0.000 0.853 313 S HN 0.604 nan 8.310 nan 0.000 0.523 314 E N 1.309 121.552 120.200 0.071 0.000 3.786 314 E HA 0.463 4.822 4.350 0.016 0.000 0.215 314 E C -1.620 175.033 176.600 0.088 0.000 1.188 314 E CA -0.179 56.312 56.400 0.153 0.000 1.248 314 E CB 0.888 30.774 29.700 0.310 0.000 1.260 314 E HN 0.229 nan 8.360 nan 0.000 0.426 315 V N 1.088 121.003 119.914 0.002 0.000 3.019 315 V HA 0.133 4.263 4.120 0.016 0.000 0.248 315 V C -0.802 175.253 176.094 -0.065 0.000 1.660 315 V CA -0.518 61.740 62.300 -0.071 0.000 0.874 315 V CB 1.238 32.998 31.823 -0.105 0.000 1.161 315 V HN 0.409 nan 8.190 nan 0.000 0.491 316 E N 2.372 122.526 120.200 -0.077 0.000 2.136 316 E HA 0.751 5.110 4.350 0.016 0.000 0.246 316 E C 0.743 177.276 176.600 -0.111 0.000 1.017 316 E CA 0.160 56.502 56.400 -0.098 0.000 0.883 316 E CB 1.585 31.238 29.700 -0.078 0.000 1.199 316 E HN 1.370 nan 8.360 nan 0.000 0.447 317 A N 1.707 124.446 122.820 -0.134 0.000 2.178 317 A HA 0.078 4.408 4.320 0.016 0.000 0.211 317 A C 1.971 179.425 177.584 -0.216 0.000 1.157 317 A CA 1.142 53.102 52.037 -0.129 0.000 0.780 317 A CB 0.017 18.967 19.000 -0.084 0.000 0.828 317 A HN 0.525 nan 8.150 nan 0.000 0.476 318 K N 0.541 120.776 120.400 -0.275 0.000 1.965 318 K HA -0.237 4.092 4.320 0.016 0.000 0.214 318 K C 2.019 178.549 176.600 -0.117 0.000 1.046 318 K CA 1.943 58.088 56.287 -0.236 0.000 0.944 318 K CB -0.842 31.538 32.500 -0.200 0.000 0.726 318 K HN 0.419 nan 8.250 nan 0.000 0.441 319 N N 1.967 120.617 118.700 -0.084 0.000 2.242 319 N HA -0.233 4.517 4.740 0.016 0.000 0.191 319 N C 1.751 177.250 175.510 -0.017 0.000 1.005 319 N CA 2.042 55.065 53.050 -0.045 0.000 0.877 319 N CB -0.661 37.803 38.487 -0.040 0.000 0.983 319 N HN 0.308 nan 8.380 nan 0.000 0.439 320 K N -0.158 120.240 120.400 -0.003 0.000 2.097 320 K HA 0.115 4.445 4.320 0.016 0.000 0.205 320 K C 2.065 178.684 176.600 0.031 0.000 1.050 320 K CA 0.837 57.156 56.287 0.052 0.000 0.938 320 K CB -0.285 32.300 32.500 0.143 0.000 0.718 320 K HN 0.591 nan 8.250 nan 0.000 0.442 321 I N 1.349 121.916 120.570 -0.005 0.000 2.226 321 I HA -0.254 3.926 4.170 0.016 0.000 0.245 321 I C 2.222 178.335 176.117 -0.007 0.000 1.100 321 I CA 1.271 62.562 61.300 -0.015 0.000 1.374 321 I CB -0.243 37.725 38.000 -0.053 0.000 1.057 321 I HN 0.217 nan 8.210 nan 0.000 0.413 322 E N 0.577 120.770 120.200 -0.012 0.000 2.058 322 E HA -0.268 4.091 4.350 0.016 0.000 0.194 322 E C 2.119 178.726 176.600 0.013 0.000 0.997 322 E CA 1.325 57.725 56.400 0.001 0.000 0.801 322 E CB -0.085 29.610 29.700 -0.008 0.000 0.746 322 E HN 0.443 nan 8.360 nan 0.000 0.450 323 E N 0.435 120.644 120.200 0.014 0.000 2.049 323 E HA -0.227 4.133 4.350 0.016 0.000 0.198 323 E C 2.225 178.842 176.600 0.029 0.000 1.007 323 E CA 1.124 57.538 56.400 0.022 0.000 0.809 323 E CB -0.137 29.581 29.700 0.029 0.000 0.749 323 E HN 0.248 nan 8.360 nan 0.000 0.450 324 L N 0.407 121.647 121.223 0.028 0.000 2.083 324 L HA -0.203 4.147 4.340 0.016 0.000 0.209 324 L C 2.589 179.485 176.870 0.043 0.000 1.083 324 L CA 0.390 55.249 54.840 0.030 0.000 0.752 324 L CB -0.342 41.726 42.059 0.014 0.000 0.899 324 L HN 0.164 nan 8.230 nan 0.000 0.433 325 L N 0.046 121.294 121.223 0.042 0.000 2.093 325 L HA -0.120 4.229 4.340 0.016 0.000 0.208 325 L C 2.640 179.569 176.870 0.098 0.000 1.085 325 L CA 1.872 56.762 54.840 0.082 0.000 0.755 325 L CB -0.622 41.479 42.059 0.069 0.000 0.904 325 L HN 0.160 nan 8.230 nan 0.000 0.435 326 A N -1.935 120.919 122.820 0.057 0.000 1.873 326 A HA -0.186 4.144 4.320 0.016 0.000 0.215 326 A C 2.466 180.072 177.584 0.037 0.000 1.186 326 A CA 1.861 53.921 52.037 0.039 0.000 0.616 326 A CB -1.023 17.991 19.000 0.022 0.000 0.823 326 A HN 0.431 nan 8.150 nan 0.000 0.442 327 S N -0.440 115.285 115.700 0.042 0.000 2.359 327 S HA -0.132 4.347 4.470 0.016 0.000 0.224 327 S C 1.895 176.528 174.600 0.055 0.000 1.035 327 S CA 1.528 59.753 58.200 0.042 0.000 1.018 327 S CB -0.459 62.770 63.200 0.047 0.000 0.876 327 S HN 0.488 nan 8.310 nan 0.000 0.448 328 L N 0.399 121.682 121.223 0.100 0.000 1.994 328 L HA -0.145 4.205 4.340 0.016 0.000 0.208 328 L C 2.277 179.191 176.870 0.073 0.000 1.071 328 L CA 0.940 55.876 54.840 0.159 0.000 0.745 328 L CB -0.507 41.737 42.059 0.307 0.000 0.892 328 L HN 0.280 nan 8.230 nan 0.000 0.431 329 L N -0.039 121.229 121.223 0.075 0.000 1.997 329 L HA -0.322 4.028 4.340 0.016 0.000 0.216 329 L C 2.286 179.086 176.870 -0.116 0.000 1.074 329 L CA 1.833 56.638 54.840 -0.058 0.000 0.763 329 L CB -1.020 41.023 42.059 -0.027 0.000 0.890 329 L HN 0.310 nan 8.230 nan 0.000 0.434 330 N N -0.701 117.957 118.700 -0.070 0.000 2.036 330 N HA -0.269 4.481 4.740 0.016 0.000 0.199 330 N C 1.897 177.327 175.510 -0.133 0.000 1.036 330 N CA 2.048 55.049 53.050 -0.080 0.000 0.870 330 N CB -0.065 38.398 38.487 -0.042 0.000 1.055 330 N HN 0.404 nan 8.380 nan 0.000 0.436 331 R N 0.450 120.859 120.500 -0.153 0.000 2.066 331 R HA -0.029 4.321 4.340 0.016 0.000 0.232 331 R C 2.290 178.248 176.300 -0.570 0.000 1.131 331 R CA 0.859 56.813 56.100 -0.242 0.000 0.955 331 R CB -0.722 29.506 30.300 -0.120 0.000 0.851 331 R HN 0.105 nan 8.270 nan 0.000 0.432 332 V N 0.768 120.271 119.914 -0.685 0.000 2.594 332 V HA -0.279 3.851 4.120 0.016 0.000 0.253 332 V C 2.435 178.270 176.094 -0.431 0.000 1.069 332 V CA 1.424 63.259 62.300 -0.775 0.000 1.082 332 V CB -0.329 31.145 31.823 -0.581 0.000 0.680 332 V HN 0.493 nan 8.190 nan 0.000 0.469 333 C N -0.673 118.449 119.300 -0.298 0.000 2.467 333 C HA -0.066 4.404 4.460 0.016 0.000 0.279 333 C C 2.726 177.626 174.990 -0.149 0.000 1.347 333 C CA 0.689 59.591 59.018 -0.193 0.000 1.748 333 C CB -0.733 26.920 27.740 -0.144 0.000 1.977 333 C HN 0.594 nan 8.230 nan 0.000 0.501 334 Q N -0.109 119.600 119.800 -0.152 0.000 2.311 334 Q HA -0.147 4.202 4.340 0.016 0.000 0.203 334 Q C 1.506 177.457 176.000 -0.082 0.000 0.954 334 Q CA 1.352 57.095 55.803 -0.100 0.000 0.885 334 Q CB -0.119 28.569 28.738 -0.083 0.000 0.963 334 Q HN 0.656 nan 8.270 nan 0.000 0.471 335 D N -0.716 119.619 120.400 -0.108 0.000 2.097 335 D HA -0.114 4.536 4.640 0.016 0.000 0.197 335 D C 1.390 177.681 176.300 -0.015 0.000 0.984 335 D CA 2.093 56.077 54.000 -0.027 0.000 0.826 335 D CB -0.006 40.812 40.800 0.031 0.000 0.973 335 D HN 0.344 nan 8.370 nan 0.000 0.460 336 G N -0.685 108.091 108.800 -0.040 0.000 2.399 336 G HA2 -0.287 3.683 3.960 0.016 0.000 0.216 336 G HA3 -0.287 3.683 3.960 0.016 0.000 0.216 336 G C 0.450 175.343 174.900 -0.010 0.000 1.096 336 G CA 0.115 45.200 45.100 -0.025 0.000 0.650 336 G HN 0.413 nan 8.290 nan 0.000 0.512 337 R N 0.879 121.392 120.500 0.020 0.000 2.679 337 R HA 0.577 4.926 4.340 0.016 0.000 0.269 337 R C -0.061 176.253 176.300 0.023 0.000 1.076 337 R CA -0.003 56.126 56.100 0.048 0.000 1.160 337 R CB 0.445 30.803 30.300 0.096 0.000 1.054 337 R HN 0.051 nan 8.270 nan 0.000 0.507 338 K N 2.270 122.694 120.400 0.039 0.000 2.207 338 K HA 0.391 4.721 4.320 0.016 0.000 0.255 338 K C -2.552 174.068 176.600 0.033 0.000 0.941 338 K CA -2.344 53.924 56.287 -0.031 0.000 0.825 338 K CB 1.846 34.290 32.500 -0.093 0.000 1.119 338 K HN 0.353 nan 8.250 nan 0.000 0.430 339 P HA 0.341 nan 4.420 nan 0.000 0.297 339 P C -0.104 177.196 177.300 -0.001 0.000 1.331 339 P CA -0.301 62.826 63.100 0.044 0.000 0.803 339 P CB 0.607 32.285 31.700 -0.036 0.000 0.929 340 H N 0.653 119.760 119.070 0.062 0.000 2.539 340 H HA 0.171 4.736 4.556 0.016 0.000 0.269 340 H C -0.174 175.204 175.328 0.083 0.000 0.980 340 H CA 0.515 56.593 56.048 0.050 0.000 1.152 340 H CB 0.726 30.508 29.762 0.033 0.000 1.407 340 H HN 0.327 nan 8.280 nan 0.000 0.564 341 T N 1.263 115.956 114.554 0.232 0.000 2.991 341 T HA 0.231 4.590 4.350 0.016 0.000 0.303 341 T C -0.666 174.187 174.700 0.255 0.000 1.015 341 T CA -0.395 61.824 62.100 0.197 0.000 1.007 341 T CB 2.785 71.742 68.868 0.149 0.000 1.034 341 T HN -0.096 nan 8.240 nan 0.000 0.446 342 V N 3.482 123.520 119.914 0.207 0.000 2.713 342 V HA 0.806 4.936 4.120 0.016 0.000 0.307 342 V C -0.325 175.777 176.094 0.013 0.000 1.052 342 V CA -0.715 61.648 62.300 0.105 0.000 0.967 342 V CB 1.700 33.590 31.823 0.112 0.000 1.019 342 V HN 0.821 nan 8.190 nan 0.000 0.459 343 R N 3.869 124.322 120.500 -0.077 0.000 2.651 343 R HA 0.608 4.958 4.340 0.016 0.000 0.278 343 R C -2.237 174.026 176.300 -0.062 0.000 1.010 343 R CA -0.733 55.343 56.100 -0.039 0.000 0.896 343 R CB 1.919 32.208 30.300 -0.019 0.000 1.211 343 R HN 0.650 nan 8.270 nan 0.000 0.456 344 L N 5.380 126.594 121.223 -0.015 0.000 2.333 344 L HA 0.583 4.933 4.340 0.016 0.000 0.280 344 L C -1.203 175.677 176.870 0.017 0.000 1.004 344 L CA -0.397 54.447 54.840 0.005 0.000 0.820 344 L CB 1.612 43.702 42.059 0.052 0.000 1.247 344 L HN 0.556 nan 8.230 nan 0.000 0.416 345 I N 6.215 126.794 120.570 0.015 0.000 2.474 345 I HA 0.516 4.696 4.170 0.016 0.000 0.294 345 I C -0.397 175.739 176.117 0.032 0.000 1.005 345 I CA -0.784 60.524 61.300 0.014 0.000 1.113 345 I CB 1.840 39.838 38.000 -0.003 0.000 1.289 345 I HN 0.612 nan 8.210 nan 0.000 0.436 346 I N 3.697 124.284 120.570 0.028 0.000 2.934 346 I HA 0.761 4.941 4.170 0.016 0.000 0.306 346 I C -0.848 175.279 176.117 0.018 0.000 1.110 346 I CA -0.741 60.584 61.300 0.042 0.000 1.019 346 I CB 2.492 40.527 38.000 0.059 0.000 1.227 346 I HN 0.666 nan 8.210 nan 0.000 0.434 347 R N 3.842 124.359 120.500 0.029 0.000 2.629 347 R HA 0.522 4.872 4.340 0.016 0.000 0.266 347 R C -1.196 175.144 176.300 0.067 0.000 1.051 347 R CA -0.678 55.438 56.100 0.026 0.000 0.895 347 R CB 2.213 32.515 30.300 0.003 0.000 1.246 347 R HN 0.992 nan 8.270 nan 0.000 0.459 348 R N 0.928 121.478 120.500 0.084 0.000 2.140 348 R HA 0.178 4.527 4.340 0.016 0.000 0.200 348 R C 0.147 176.577 176.300 0.217 0.000 1.069 348 R CA 0.579 56.752 56.100 0.123 0.000 1.088 348 R CB 0.255 30.596 30.300 0.070 0.000 1.012 348 R HN 0.638 nan 8.270 nan 0.000 0.500 349 Y N -0.775 119.535 120.300 0.016 0.000 2.376 349 Y HA 0.714 5.273 4.550 0.016 0.000 0.325 349 Y C -0.225 175.684 175.900 0.014 0.000 1.199 349 Y CA -0.429 57.678 58.100 0.013 0.000 1.206 349 Y CB 1.285 39.748 38.460 0.005 0.000 1.229 349 Y HN 0.213 nan 8.280 nan 0.000 0.480 357 R N 0.885 121.365 120.500 -0.033 0.000 3.149 357 R HA 0.767 5.117 4.340 0.016 0.000 0.213 357 R C -0.746 175.540 176.300 -0.024 0.000 1.639 357 R CA -0.687 55.396 56.100 -0.028 0.000 0.930 357 R CB 0.747 31.035 30.300 -0.020 0.000 2.313 357 R HN 0.466 nan 8.270 nan 0.000 0.533 358 E N 0.321 120.511 120.200 -0.017 0.000 2.340 358 E HA 0.385 4.745 4.350 0.016 0.000 0.273 358 E C -1.389 175.206 176.600 -0.009 0.000 0.891 358 E CA -0.737 55.653 56.400 -0.016 0.000 0.757 358 E CB 2.576 32.262 29.700 -0.024 0.000 1.231 358 E HN 0.671 nan 8.360 nan 0.000 0.439 359 S N 2.106 117.802 115.700 -0.007 0.000 2.541 359 S HA 0.672 5.152 4.470 0.016 0.000 0.280 359 S C -0.799 173.802 174.600 0.001 0.000 1.112 359 S CA -1.188 57.012 58.200 -0.000 0.000 0.925 359 S CB 1.843 65.043 63.200 0.001 0.000 1.067 359 S HN 0.327 nan 8.310 nan 0.000 0.479 360 R N 1.998 122.502 120.500 0.008 0.000 2.561 360 R HA 0.520 4.870 4.340 0.016 0.000 0.297 360 R C -0.475 175.836 176.300 0.019 0.000 0.969 360 R CA -0.522 55.585 56.100 0.013 0.000 0.879 360 R CB 1.790 32.098 30.300 0.014 0.000 1.178 360 R HN 0.989 nan 8.270 nan 0.000 0.445 361 Q N 0.724 120.538 119.800 0.023 0.000 2.572 361 Q HA 0.826 5.176 4.340 0.016 0.000 0.284 361 Q C -0.521 175.503 176.000 0.039 0.000 1.091 361 Q CA -0.887 54.935 55.803 0.031 0.000 0.840 361 Q CB 2.338 31.097 28.738 0.034 0.000 1.433 361 Q HN 0.794 nan 8.270 nan 0.000 0.471 362 C N -3.039 116.292 119.300 0.051 0.000 3.275 362 C HA 0.626 5.095 4.460 0.016 0.000 0.345 362 C C -3.043 171.990 174.990 0.071 0.000 1.257 362 C CA -1.478 57.573 59.018 0.055 0.000 1.203 362 C CB 0.732 28.503 27.740 0.051 0.000 1.492 362 C HN 0.767 nan 8.230 nan 0.000 0.484 363 P HA 0.457 nan 4.420 nan 0.000 0.272 363 P C -0.711 176.630 177.300 0.069 0.000 1.240 363 P CA -0.095 63.052 63.100 0.079 0.000 0.791 363 P CB 0.356 32.096 31.700 0.066 0.000 0.978 364 I N 2.556 123.164 120.570 0.063 0.000 2.315 364 I HA 0.253 4.433 4.170 0.016 0.000 0.291 364 I C -2.016 174.069 176.117 -0.054 0.000 1.006 364 I CA -2.516 58.798 61.300 0.024 0.000 1.265 364 I CB 1.027 39.042 38.000 0.025 0.000 1.387 364 I HN 0.155 nan 8.210 nan 0.000 0.475 365 P HA -0.038 nan 4.420 nan 0.000 0.263 365 P C 0.792 177.873 177.300 -0.364 0.000 1.175 365 P CA 0.147 63.101 63.100 -0.243 0.000 0.761 365 P CB 0.568 32.125 31.700 -0.237 0.000 0.794 366 S N 3.179 118.633 115.700 -0.410 0.000 2.368 366 S HA -0.324 4.156 4.470 0.016 0.000 0.226 366 S C 1.585 176.032 174.600 -0.254 0.000 1.044 366 S CA 2.157 60.189 58.200 -0.280 0.000 1.062 366 S CB -1.747 61.351 63.200 -0.170 0.000 0.931 366 S HN 0.677 nan 8.310 nan 0.000 0.440 367 H N 2.056 121.118 119.070 -0.014 0.000 2.352 367 H HA 0.084 4.649 4.556 0.016 0.000 0.299 367 H C 2.139 177.450 175.328 -0.028 0.000 1.097 367 H CA 1.270 57.308 56.048 -0.017 0.000 1.311 367 H CB -1.089 28.669 29.762 -0.008 0.000 1.377 367 H HN 0.516 nan 8.280 nan 0.000 0.504 368 V N -1.523 118.429 119.914 0.063 0.000 3.623 368 V HA 0.125 4.255 4.120 0.016 0.000 0.271 368 V C 1.968 178.031 176.094 -0.052 0.000 1.248 368 V CA 0.517 62.845 62.300 0.046 0.000 1.156 368 V CB -0.705 31.174 31.823 0.093 0.000 0.870 368 V HN 0.412 nan 8.190 nan 0.000 0.453 369 I N 0.273 120.775 120.570 -0.113 0.000 2.353 369 I HA -0.083 4.096 4.170 0.016 0.000 0.248 369 I C 1.398 177.432 176.117 -0.138 0.000 1.119 369 I CA 0.937 62.133 61.300 -0.172 0.000 1.417 369 I CB 0.127 37.970 38.000 -0.262 0.000 1.078 369 I HN 0.435 nan 8.210 nan 0.000 0.421 370 Q N 1.816 121.564 119.800 -0.087 0.000 2.296 370 Q HA 0.164 4.514 4.340 0.016 0.000 0.263 370 Q C -0.502 175.466 176.000 -0.052 0.000 1.026 370 Q CA 0.305 56.071 55.803 -0.062 0.000 0.912 370 Q CB 1.124 29.844 28.738 -0.030 0.000 1.198 370 Q HN 0.067 nan 8.270 nan 0.000 0.407 379 V N 1.143 121.058 119.914 0.001 0.000 3.129 379 V HA 0.222 4.352 4.120 0.016 0.000 0.259 379 V C 2.548 178.654 176.094 0.020 0.000 1.116 379 V CA 1.794 64.096 62.300 0.003 0.000 1.127 379 V CB -0.377 31.434 31.823 -0.020 0.000 0.742 379 V HN 0.100 nan 8.190 nan 0.000 0.474 380 M N 0.746 120.358 119.600 0.020 0.000 2.123 380 M HA -0.117 4.373 4.480 0.016 0.000 0.263 380 M C 2.408 178.727 176.300 0.032 0.000 1.069 380 M CA 2.595 57.914 55.300 0.031 0.000 1.133 380 M CB -0.359 32.253 32.600 0.021 0.000 1.356 380 M HN 0.531 nan 8.290 nan 0.000 0.415 381 T N -1.118 113.449 114.554 0.022 0.000 2.684 381 T HA -0.076 4.283 4.350 0.016 0.000 0.267 381 T C -0.757 173.960 174.700 0.029 0.000 1.036 381 T CA 1.436 63.548 62.100 0.020 0.000 1.148 381 T CB -2.344 66.531 68.868 0.012 0.000 0.863 381 T HN 0.316 nan 8.240 nan 0.000 0.436 382 P HA 0.081 nan 4.420 nan 0.000 0.216 382 P C 1.768 179.105 177.300 0.061 0.000 1.153 382 P CA 0.775 63.905 63.100 0.050 0.000 0.844 382 P CB -0.182 31.555 31.700 0.062 0.000 0.787 383 M N -0.927 118.715 119.600 0.069 0.000 2.149 383 M HA -0.096 4.393 4.480 0.016 0.000 0.261 383 M C 1.986 178.328 176.300 0.071 0.000 1.064 383 M CA 1.425 56.781 55.300 0.094 0.000 1.102 383 M CB -1.499 31.180 32.600 0.132 0.000 1.369 383 M HN -0.161 nan 8.290 nan 0.000 0.408 384 V N 1.025 120.969 119.914 0.049 0.000 2.358 384 V HA -0.233 3.897 4.120 0.016 0.000 0.246 384 V C 2.563 178.673 176.094 0.027 0.000 1.047 384 V CA 2.312 64.628 62.300 0.027 0.000 1.035 384 V CB -1.717 30.113 31.823 0.012 0.000 0.658 384 V HN 0.589 nan 8.190 nan 0.000 0.452 385 D N -0.008 120.412 120.400 0.034 0.000 2.123 385 D HA -0.166 4.484 4.640 0.016 0.000 0.196 385 D C 2.132 178.462 176.300 0.051 0.000 0.992 385 D CA 2.479 56.502 54.000 0.038 0.000 0.833 385 D CB -0.602 40.221 40.800 0.038 0.000 0.954 385 D HN 0.458 nan 8.370 nan 0.000 0.455 386 I N 0.189 120.794 120.570 0.058 0.000 2.127 386 I HA 0.071 4.250 4.170 0.016 0.000 0.241 386 I C 2.915 179.072 176.117 0.066 0.000 1.075 386 I CA 1.851 63.190 61.300 0.065 0.000 1.334 386 I CB -1.294 36.751 38.000 0.075 0.000 1.040 386 I HN 0.440 nan 8.210 nan 0.000 0.405 387 L N -0.658 120.601 121.223 0.060 0.000 2.291 387 L HA -0.144 4.206 4.340 0.016 0.000 0.214 387 L C 2.701 179.635 176.870 0.106 0.000 1.120 387 L CA 0.884 55.763 54.840 0.065 0.000 0.799 387 L CB -0.424 41.655 42.059 0.033 0.000 0.925 387 L HN 0.461 nan 8.230 nan 0.000 0.446 388 M N -0.190 119.461 119.600 0.085 0.000 2.334 388 M HA -0.083 4.407 4.480 0.016 0.000 0.266 388 M C 2.804 179.214 176.300 0.183 0.000 1.082 388 M CA 1.611 56.986 55.300 0.124 0.000 1.141 388 M CB -1.024 31.598 32.600 0.037 0.000 1.380 388 M HN 0.219 nan 8.290 nan 0.000 0.440 389 K N 1.041 121.510 120.400 0.116 0.000 2.057 389 K HA -0.051 4.279 4.320 0.016 0.000 0.207 389 K C 1.949 178.610 176.600 0.101 0.000 1.049 389 K CA 1.381 57.727 56.287 0.098 0.000 0.931 389 K CB -1.487 31.054 32.500 0.069 0.000 0.714 389 K HN 0.438 nan 8.250 nan 0.000 0.440 390 L N -1.279 120.006 121.223 0.104 0.000 2.042 390 L HA -0.084 4.266 4.340 0.016 0.000 0.210 390 L C 2.645 179.579 176.870 0.107 0.000 1.076 390 L CA 1.774 56.666 54.840 0.088 0.000 0.749 390 L CB -0.497 41.611 42.059 0.081 0.000 0.893 390 L HN 0.485 nan 8.230 nan 0.000 0.432 391 F N 1.014 120.972 119.950 0.013 0.000 2.069 391 F HA -0.260 4.277 4.527 0.016 0.000 0.298 391 F C 2.749 178.558 175.800 0.016 0.000 1.113 391 F CA 1.597 59.607 58.000 0.015 0.000 1.214 391 F CB -0.120 38.891 39.000 0.018 0.000 0.978 391 F HN -0.175 nan 8.300 nan 0.000 0.474 392 R N 0.401 120.965 120.500 0.107 0.000 2.080 392 R HA -0.238 4.111 4.340 0.016 0.000 0.236 392 R C 2.173 178.421 176.300 -0.086 0.000 1.137 392 R CA 1.635 57.730 56.100 -0.010 0.000 0.943 392 R CB -0.956 29.395 30.300 0.086 0.000 0.846 392 R HN 0.297 nan 8.270 nan 0.000 0.431 393 N N 0.486 119.168 118.700 -0.029 0.000 2.242 393 N HA -0.208 4.542 4.740 0.016 0.000 0.191 393 N C 1.182 176.642 175.510 -0.082 0.000 1.005 393 N CA 1.539 54.566 53.050 -0.037 0.000 0.877 393 N CB 0.034 38.516 38.487 -0.007 0.000 0.983 393 N HN 0.161 nan 8.380 nan 0.000 0.439 394 M N -0.126 119.385 119.600 -0.148 0.000 2.938 394 M HA -0.122 4.368 4.480 0.016 0.000 0.282 394 M C 2.179 178.350 176.300 -0.215 0.000 1.122 394 M CA 1.593 56.770 55.300 -0.205 0.000 1.069 394 M CB -1.313 31.108 32.600 -0.298 0.000 1.140 394 M HN 0.057 nan 8.290 nan 0.000 0.549 395 V N -0.394 119.316 119.914 -0.341 0.000 3.235 395 V HA 0.045 4.175 4.120 0.016 0.000 0.259 395 V C 0.566 176.577 176.094 -0.138 0.000 1.133 395 V CA 0.492 62.636 62.300 -0.260 0.000 1.128 395 V CB -1.932 29.680 31.823 -0.353 0.000 0.757 395 V HN 0.911 nan 8.190 nan 0.000 0.469 404 T N -2.023 112.653 114.554 0.204 0.000 3.069 404 T HA 0.483 4.843 4.350 0.016 0.000 0.252 404 T C 0.232 174.824 174.700 -0.181 0.000 1.053 404 T CA 0.005 62.182 62.100 0.129 0.000 0.964 404 T CB 0.312 69.241 68.868 0.102 0.000 1.005 404 T HN 0.289 nan 8.240 nan 0.000 0.532 405 L N 0.921 122.039 121.223 -0.175 0.000 2.549 405 L HA 0.570 4.920 4.340 0.016 0.000 0.259 405 L C -2.042 174.755 176.870 -0.121 0.000 0.934 405 L CA -0.771 53.895 54.840 -0.290 0.000 0.865 405 L CB 2.282 44.256 42.059 -0.142 0.000 1.352 405 L HN 0.257 nan 8.230 nan 0.000 0.410 406 L N 3.079 124.208 121.223 -0.158 0.000 2.410 406 L HA 0.665 5.015 4.340 0.016 0.000 0.270 406 L C -0.462 176.391 176.870 -0.028 0.000 0.983 406 L CA -0.393 54.452 54.840 0.008 0.000 0.822 406 L CB 2.138 44.273 42.059 0.126 0.000 1.285 406 L HN 0.670 nan 8.230 nan 0.000 0.409 407 S N 2.409 118.106 115.700 -0.005 0.000 2.572 407 S HA 0.735 5.214 4.470 0.016 0.000 0.274 407 S C -1.160 173.422 174.600 -0.031 0.000 1.150 407 S CA -0.504 57.684 58.200 -0.021 0.000 0.944 407 S CB 1.709 64.894 63.200 -0.025 0.000 1.071 407 S HN 0.237 nan 8.310 nan 0.000 0.479 408 V N 3.094 122.972 119.914 -0.060 0.000 2.630 408 V HA 0.750 4.880 4.120 0.016 0.000 0.305 408 V C 0.057 176.050 176.094 -0.169 0.000 1.046 408 V CA -0.765 61.449 62.300 -0.142 0.000 0.934 408 V CB 1.331 33.035 31.823 -0.199 0.000 1.003 408 V HN 1.033 nan 8.190 nan 0.000 0.451 409 C N 4.865 124.017 119.300 -0.248 0.000 2.551 409 C HA 0.704 5.174 4.460 0.016 0.000 0.332 409 C C -0.956 173.895 174.990 -0.230 0.000 1.139 409 C CA -0.740 58.187 59.018 -0.151 0.000 1.328 409 C CB 0.084 27.805 27.740 -0.032 0.000 1.903 409 C HN 0.762 nan 8.230 nan 0.000 0.459 410 F N 5.366 125.404 119.950 0.147 0.000 2.436 410 F HA 0.664 5.201 4.527 0.016 0.000 0.340 410 F C 1.079 176.988 175.800 0.182 0.000 1.113 410 F CA -0.276 57.819 58.000 0.158 0.000 1.022 410 F CB 1.208 40.312 39.000 0.174 0.000 1.128 410 F HN 0.965 nan 8.300 nan 0.000 0.466 411 C N 0.398 119.906 119.300 0.347 0.000 3.299 411 C HA 0.484 4.954 4.460 0.016 0.000 0.366 411 C C 0.367 175.481 174.990 0.207 0.000 3.078 411 C CA -1.249 57.905 59.018 0.227 0.000 1.335 411 C CB 1.154 28.979 27.740 0.141 0.000 3.510 411 C HN 0.981 nan 8.230 nan 0.000 0.476 412 N N 0.346 119.131 118.700 0.142 0.000 2.669 412 N HA -0.156 4.594 4.740 0.016 0.000 0.266 412 N C -0.813 174.795 175.510 0.163 0.000 1.024 412 N CA -0.068 53.055 53.050 0.121 0.000 0.766 412 N CB -0.324 38.234 38.487 0.118 0.000 0.898 412 N HN 0.557 nan 8.380 nan 0.000 0.548 413 L N 1.317 122.629 121.223 0.148 0.000 2.371 413 L HA 0.380 4.729 4.340 0.016 0.000 0.272 413 L C 0.743 177.688 176.870 0.125 0.000 1.124 413 L CA 0.728 55.673 54.840 0.175 0.000 0.816 413 L CB 1.336 43.496 42.059 0.170 0.000 1.129 413 L HN 0.325 nan 8.230 nan 0.000 0.448 414 K N 0.000 120.497 120.400 0.162 0.000 2.780 414 K HA 0.000 4.330 4.320 0.016 0.000 0.191 414 K CA 0.000 56.340 56.287 0.088 0.000 0.838 414 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 414 K HN 0.000 nan 8.250 nan 0.000 0.543