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 2geu_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEPSPYVEFD RRQWRALRMS TPLALTEEEL VGLRGLGEQI DLLEVEEVYL DATA SEQUENCE PLARLIHLQV AARQRLFAAT AEFLGEPXXX PDRPVPFIIG VAGSVAVGKS DATA SEQUENCE TTARVLQALL ARWDHHPRVD LVTTDGFLYP NAELQRRNLM HRKGFPESYN DATA SEQUENCE RRALMRFVTS VKSGSDYAXA PVYSHLHYDI IPGAEQVVRH PDILILEGLN DATA SEQUENCE VLQTGPTLMV SDLFDFSLYV DARIEDIEQW YVSRFLAMRT TAFADPESHF DATA SEQUENCE HHYAAFSDSQ AVVAAREIWR TINRPNLVEN ILPTRPRATL VLRKDADHSI DATA SEQUENCE NRLRLRKL 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.595 174.600 -0.008 0.000 1.055 5 S CA 0.000 58.196 58.200 -0.008 0.000 1.107 5 S CB 0.000 63.196 63.200 -0.006 0.000 0.593 6 E N 1.603 121.797 120.200 -0.010 0.000 2.749 6 E HA 0.426 4.776 4.350 -0.000 0.000 0.360 6 E C -3.115 173.477 176.600 -0.013 0.000 1.037 6 E CA -0.512 55.881 56.400 -0.011 0.000 0.684 6 E CB -0.160 29.536 29.700 -0.007 0.000 1.422 6 E HN 0.238 nan 8.360 nan 0.000 0.407 7 P HA 0.379 nan 4.420 nan 0.000 0.269 7 P C -0.928 176.350 177.300 -0.036 0.000 1.217 7 P CA -0.476 62.608 63.100 -0.027 0.000 0.783 7 P CB 1.178 32.859 31.700 -0.032 0.000 0.898 8 S N 0.021 115.693 115.700 -0.046 0.000 2.569 8 S HA 0.510 4.980 4.470 -0.000 0.000 0.280 8 S C -2.203 172.303 174.600 -0.157 0.000 1.111 8 S CA -1.128 57.025 58.200 -0.078 0.000 0.887 8 S CB 1.099 64.309 63.200 0.016 0.000 1.095 8 S HN 0.227 nan 8.310 nan 0.000 0.476 9 P HA 0.194 nan 4.420 nan 0.000 0.245 9 P C -0.871 176.214 177.300 -0.358 0.000 1.206 9 P CA 0.603 63.456 63.100 -0.412 0.000 0.781 9 P CB -0.016 31.323 31.700 -0.602 0.000 0.994 10 Y N -1.306 118.993 120.300 -0.003 0.000 2.519 10 Y HA 0.519 5.069 4.550 -0.000 0.000 0.324 10 Y C 0.391 176.290 175.900 -0.001 0.000 1.214 10 Y CA -1.473 56.632 58.100 0.009 0.000 1.260 10 Y CB 1.184 39.641 38.460 -0.005 0.000 1.311 10 Y HN -0.483 nan 8.280 nan 0.000 0.505 11 V N 0.707 120.744 119.914 0.205 0.000 2.577 11 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 11 V C -0.878 175.185 176.094 -0.051 0.000 1.042 11 V CA -1.046 61.260 62.300 0.010 0.000 0.872 11 V CB 1.608 33.448 31.823 0.029 0.000 0.998 11 V HN 0.732 nan 8.190 nan 0.000 0.423 12 E N 2.487 122.562 120.200 -0.208 0.000 2.191 12 E HA 0.746 5.096 4.350 -0.000 0.000 0.274 12 E C -1.632 174.779 176.600 -0.315 0.000 0.948 12 E CA -0.364 55.959 56.400 -0.129 0.000 0.802 12 E CB 1.463 31.123 29.700 -0.065 0.000 1.137 12 E HN 0.504 nan 8.360 nan 0.000 0.397 13 F N 1.039 121.037 119.950 0.080 0.000 2.618 13 F HA 0.413 4.940 4.527 0.000 0.000 0.332 13 F C 0.097 175.948 175.800 0.085 0.000 1.061 13 F CA -0.877 57.200 58.000 0.129 0.000 0.974 13 F CB 1.622 40.785 39.000 0.273 0.000 1.310 13 F HN 0.306 nan 8.300 nan 0.000 0.491 14 D N -0.198 120.410 120.400 0.347 0.000 2.269 14 D HA 0.319 4.959 4.640 -0.000 0.000 0.244 14 D C 0.844 177.294 176.300 0.249 0.000 0.992 14 D CA -0.525 53.602 54.000 0.213 0.000 0.894 14 D CB 2.031 42.926 40.800 0.158 0.000 1.248 14 D HN 0.495 nan 8.370 nan 0.000 0.468 15 R N 1.439 122.042 120.500 0.171 0.000 2.105 15 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 15 R C 2.212 178.634 176.300 0.202 0.000 1.135 15 R CA 2.124 58.333 56.100 0.181 0.000 0.967 15 R CB 0.115 30.486 30.300 0.120 0.000 0.861 15 R HN 0.415 nan 8.270 nan 0.000 0.442 16 R N 0.803 121.400 120.500 0.162 0.000 2.073 16 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 16 R C 2.129 178.524 176.300 0.159 0.000 1.134 16 R CA 1.921 58.102 56.100 0.135 0.000 0.952 16 R CB -1.332 29.031 30.300 0.105 0.000 0.850 16 R HN 0.565 nan 8.270 nan 0.000 0.433 17 Q N -1.352 118.579 119.800 0.218 0.000 2.016 17 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 17 Q C 2.271 178.422 176.000 0.252 0.000 0.978 17 Q CA 1.359 57.321 55.803 0.266 0.000 0.833 17 Q CB -0.220 28.757 28.738 0.399 0.000 0.895 17 Q HN 0.800 nan 8.270 nan 0.000 0.427 18 W N 2.596 123.949 121.300 0.088 0.000 2.358 18 W HA -0.209 4.451 4.660 -0.000 0.000 0.303 18 W C 2.167 178.658 176.519 -0.047 0.000 1.208 18 W CA 1.634 58.921 57.345 -0.096 0.000 1.274 18 W CB -0.164 29.221 29.460 -0.124 0.000 1.138 18 W HN 0.136 nan 8.180 nan 0.000 0.515 19 R N 1.112 121.712 120.500 0.166 0.000 2.133 19 R HA -0.204 4.136 4.340 -0.000 0.000 0.247 19 R C 2.129 178.414 176.300 -0.025 0.000 1.151 19 R CA 2.322 58.473 56.100 0.086 0.000 0.971 19 R CB -0.813 29.558 30.300 0.117 0.000 0.866 19 R HN 0.052 nan 8.270 nan 0.000 0.447 20 A N 0.562 123.364 122.820 -0.030 0.000 2.119 20 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 20 A C 1.649 179.163 177.584 -0.116 0.000 1.153 20 A CA 0.576 52.586 52.037 -0.046 0.000 0.692 20 A CB -0.020 18.980 19.000 -0.000 0.000 0.799 20 A HN 0.275 nan 8.150 nan 0.000 0.458 21 L N -0.266 120.806 121.223 -0.252 0.000 2.599 21 L HA 0.099 4.439 4.340 -0.000 0.000 0.230 21 L C 2.134 178.853 176.870 -0.251 0.000 1.141 21 L CA 0.911 55.563 54.840 -0.313 0.000 0.877 21 L CB -1.318 40.390 42.059 -0.586 0.000 1.009 21 L HN 0.548 nan 8.230 nan 0.000 0.447 22 R N -0.474 119.920 120.500 -0.178 0.000 2.096 22 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 22 R C 0.817 177.086 176.300 -0.052 0.000 1.127 22 R CA 0.715 56.761 56.100 -0.091 0.000 0.968 22 R CB 0.188 30.463 30.300 -0.041 0.000 0.861 22 R HN 0.099 nan 8.270 nan 0.000 0.440 23 M N -1.409 118.158 119.600 -0.054 0.000 7.319 23 M HA -0.229 4.251 4.480 -0.000 0.000 0.319 23 M C 0.004 176.287 176.300 -0.028 0.000 0.480 23 M CA 1.898 57.177 55.300 -0.035 0.000 1.311 23 M CB -1.592 30.992 32.600 -0.026 0.000 0.421 23 M HN 0.041 nan 8.290 nan 0.000 0.676 24 S N 0.179 115.862 115.700 -0.028 0.000 2.312 24 S HA 0.445 4.915 4.470 -0.000 0.000 0.211 24 S C -0.764 173.798 174.600 -0.064 0.000 1.315 24 S CA -0.224 57.952 58.200 -0.040 0.000 1.267 24 S CB -0.038 63.140 63.200 -0.038 0.000 1.072 24 S HN 0.515 nan 8.310 nan 0.000 0.490 25 T N 4.504 119.023 114.554 -0.059 0.000 2.794 25 T HA 0.293 4.643 4.350 -0.000 0.000 0.296 25 T C -2.493 172.131 174.700 -0.128 0.000 0.949 25 T CA -1.126 60.907 62.100 -0.111 0.000 1.101 25 T CB 0.706 69.563 68.868 -0.018 0.000 0.905 25 T HN 0.140 nan 8.240 nan 0.000 0.516 26 P HA 0.162 nan 4.420 nan 0.000 0.271 26 P C -0.496 176.732 177.300 -0.121 0.000 1.220 26 P CA -0.431 62.571 63.100 -0.162 0.000 0.768 26 P CB 0.469 32.040 31.700 -0.214 0.000 0.848 27 L N 3.114 124.297 121.223 -0.067 0.000 2.302 27 L HA 0.412 4.752 4.340 -0.000 0.000 0.285 27 L C 0.595 177.443 176.870 -0.038 0.000 1.090 27 L CA -0.337 54.483 54.840 -0.034 0.000 0.866 27 L CB 0.069 42.119 42.059 -0.015 0.000 1.244 27 L HN 0.395 nan 8.230 nan 0.000 0.435 28 A N 6.430 129.227 122.820 -0.038 0.000 2.532 28 A HA 0.374 4.694 4.320 -0.000 0.000 0.273 28 A C 0.007 177.580 177.584 -0.018 0.000 1.342 28 A CA -0.185 51.833 52.037 -0.032 0.000 0.929 28 A CB -0.216 18.761 19.000 -0.038 0.000 1.051 28 A HN 0.615 nan 8.150 nan 0.000 0.521 29 L N 1.060 122.273 121.223 -0.017 0.000 2.356 29 L HA 0.383 4.723 4.340 -0.000 0.000 0.277 29 L C 0.505 177.361 176.870 -0.023 0.000 0.996 29 L CA -0.634 54.194 54.840 -0.020 0.000 0.822 29 L CB 2.375 44.420 42.059 -0.023 0.000 1.256 29 L HN 0.437 nan 8.230 nan 0.000 0.413 30 T N -1.782 112.757 114.554 -0.024 0.000 2.849 30 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 30 T C 0.806 175.488 174.700 -0.030 0.000 1.004 30 T CA -0.559 61.526 62.100 -0.024 0.000 1.021 30 T CB 1.607 70.462 68.868 -0.022 0.000 1.013 30 T HN 0.692 nan 8.240 nan 0.000 0.527 31 E N -0.015 120.168 120.200 -0.029 0.000 2.268 31 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 31 E C 1.577 178.154 176.600 -0.037 0.000 0.995 31 E CA 0.866 57.245 56.400 -0.034 0.000 0.836 31 E CB 0.098 29.780 29.700 -0.029 0.000 0.763 31 E HN 0.774 nan 8.360 nan 0.000 0.491 32 E N 0.437 120.618 120.200 -0.032 0.000 2.076 32 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 32 E C 1.770 178.349 176.600 -0.035 0.000 0.979 32 E CA 0.969 57.350 56.400 -0.032 0.000 0.807 32 E CB 0.047 29.732 29.700 -0.026 0.000 0.761 32 E HN 0.269 nan 8.360 nan 0.000 0.454 33 E N 0.327 120.507 120.200 -0.034 0.000 2.107 33 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 33 E C 1.955 178.527 176.600 -0.047 0.000 0.982 33 E CA 0.497 56.875 56.400 -0.035 0.000 0.809 33 E CB -0.050 29.632 29.700 -0.030 0.000 0.756 33 E HN 0.097 nan 8.360 nan 0.000 0.459 34 L N 0.852 122.043 121.223 -0.054 0.000 2.046 34 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 34 L C 2.160 178.985 176.870 -0.076 0.000 1.077 34 L CA 1.376 56.172 54.840 -0.074 0.000 0.747 34 L CB -0.353 41.659 42.059 -0.079 0.000 0.896 34 L HN -0.063 nan 8.230 nan 0.000 0.432 35 V N 0.118 119.993 119.914 -0.065 0.000 2.490 35 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 35 V C 2.450 178.507 176.094 -0.063 0.000 1.061 35 V CA 1.696 63.956 62.300 -0.066 0.000 1.064 35 V CB -1.127 30.662 31.823 -0.057 0.000 0.670 35 V HN 0.662 nan 8.190 nan 0.000 0.461 36 G N -1.249 107.519 108.800 -0.053 0.000 2.572 36 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.216 36 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.216 36 G C 1.235 176.106 174.900 -0.048 0.000 1.133 36 G CA 0.157 45.229 45.100 -0.047 0.000 0.791 36 G HN 0.417 nan 8.290 nan 0.000 0.538 37 L N -0.036 121.152 121.223 -0.057 0.000 2.529 37 L HA 0.347 4.687 4.340 -0.000 0.000 0.223 37 L C 1.600 178.428 176.870 -0.071 0.000 1.113 37 L CA -0.053 54.752 54.840 -0.058 0.000 0.861 37 L CB -0.177 41.842 42.059 -0.067 0.000 1.012 37 L HN 0.032 nan 8.230 nan 0.000 0.461 38 R N -0.008 120.442 120.500 -0.083 0.000 2.590 38 R HA 0.342 4.682 4.340 -0.000 0.000 0.274 38 R C 0.115 176.358 176.300 -0.094 0.000 1.061 38 R CA 0.342 56.384 56.100 -0.098 0.000 1.081 38 R CB 0.611 30.847 30.300 -0.107 0.000 0.984 38 R HN 0.211 nan 8.270 nan 0.000 0.448 39 G N 2.001 110.737 108.800 -0.106 0.000 2.434 39 G HA2 0.302 4.262 3.960 -0.000 0.000 0.330 39 G HA3 0.302 4.262 3.960 -0.000 0.000 0.330 39 G C -0.899 173.919 174.900 -0.137 0.000 1.155 39 G CA -0.784 44.253 45.100 -0.106 0.000 0.917 39 G HN 0.471 nan 8.290 nan 0.000 0.493 40 L N 1.511 122.654 121.223 -0.133 0.000 2.615 40 L HA 0.379 4.719 4.340 -0.000 0.000 0.271 40 L C 1.483 178.245 176.870 -0.181 0.000 1.183 40 L CA 2.131 56.880 54.840 -0.152 0.000 0.933 40 L CB 0.221 42.189 42.059 -0.152 0.000 1.199 40 L HN 1.343 nan 8.230 nan 0.000 0.487 41 G N 2.474 111.139 108.800 -0.226 0.000 2.213 41 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.236 41 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.236 41 G C 0.287 174.837 174.900 -0.583 0.000 0.991 41 G CA -0.002 44.903 45.100 -0.325 0.000 0.629 41 G HN 0.570 nan 8.290 nan 0.000 0.517 42 E N 0.676 120.612 120.200 -0.440 0.000 2.373 42 E HA 0.332 4.682 4.350 -0.000 0.000 0.267 42 E C 0.672 177.026 176.600 -0.410 0.000 1.032 42 E CA -0.046 56.072 56.400 -0.470 0.000 0.889 42 E CB 0.812 30.360 29.700 -0.253 0.000 0.984 42 E HN 0.394 nan 8.360 nan 0.000 0.425 43 Q N 1.571 121.130 119.800 -0.402 0.000 2.188 43 Q HA 0.254 4.594 4.340 -0.000 0.000 0.212 43 Q C 0.484 176.406 176.000 -0.130 0.000 0.846 43 Q CA -0.358 55.302 55.803 -0.238 0.000 0.989 43 Q CB 0.280 28.899 28.738 -0.198 0.000 1.114 43 Q HN 0.540 nan 8.270 nan 0.000 0.488 44 I N 3.126 123.620 120.570 -0.127 0.000 2.533 44 I HA -0.083 4.087 4.170 -0.000 0.000 0.284 44 I C -0.427 175.639 176.117 -0.085 0.000 1.109 44 I CA -0.030 61.217 61.300 -0.088 0.000 1.412 44 I CB 0.425 38.353 38.000 -0.121 0.000 1.396 44 I HN 0.092 nan 8.210 nan 0.000 0.543 45 D N 5.444 125.812 120.400 -0.052 0.000 2.414 45 D HA 0.214 4.854 4.640 -0.000 0.000 0.241 45 D C 0.758 177.038 176.300 -0.034 0.000 1.008 45 D CA -0.740 53.234 54.000 -0.044 0.000 1.001 45 D CB 1.103 41.888 40.800 -0.025 0.000 1.277 45 D HN 0.426 nan 8.370 nan 0.000 0.538 46 L N -0.385 120.821 121.223 -0.028 0.000 2.187 46 L HA -0.117 4.223 4.340 -0.000 0.000 0.213 46 L C 2.081 178.959 176.870 0.013 0.000 1.100 46 L CA 0.647 55.477 54.840 -0.017 0.000 0.765 46 L CB -0.327 41.722 42.059 -0.016 0.000 0.904 46 L HN 0.445 nan 8.230 nan 0.000 0.437 47 L N -0.064 121.171 121.223 0.020 0.000 2.046 47 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 47 L C 2.386 179.302 176.870 0.076 0.000 1.077 47 L CA 1.869 56.734 54.840 0.042 0.000 0.747 47 L CB -0.450 41.630 42.059 0.037 0.000 0.896 47 L HN 0.246 nan 8.230 nan 0.000 0.432 48 E N -1.200 119.049 120.200 0.082 0.000 2.107 48 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 48 E C 2.103 178.844 176.600 0.234 0.000 0.982 48 E CA 1.188 57.677 56.400 0.149 0.000 0.809 48 E CB 0.058 29.843 29.700 0.142 0.000 0.756 48 E HN 0.395 nan 8.360 nan 0.000 0.459 49 V N 1.332 121.321 119.914 0.124 0.000 2.407 49 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 49 V C 2.350 178.560 176.094 0.193 0.000 1.055 49 V CA 2.226 64.597 62.300 0.118 0.000 1.049 49 V CB -0.475 31.324 31.823 -0.039 0.000 0.662 49 V HN 0.367 nan 8.190 nan 0.000 0.455 50 E N 0.114 120.391 120.200 0.128 0.000 2.028 50 E HA -0.260 4.090 4.350 -0.000 0.000 0.190 50 E C 2.237 178.922 176.600 0.140 0.000 0.984 50 E CA 1.473 57.940 56.400 0.110 0.000 0.800 50 E CB -0.080 29.660 29.700 0.066 0.000 0.758 50 E HN 0.663 nan 8.360 nan 0.000 0.448 51 E N -0.752 119.539 120.200 0.152 0.000 2.204 51 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 51 E C 1.660 178.426 176.600 0.277 0.000 0.989 51 E CA 1.112 57.615 56.400 0.172 0.000 0.824 51 E CB 0.489 30.277 29.700 0.146 0.000 0.756 51 E HN 0.151 nan 8.360 nan 0.000 0.477 52 V N -1.267 118.833 119.914 0.309 0.000 2.948 52 V HA -0.039 4.081 4.120 -0.000 0.000 0.234 52 V C 1.184 177.470 176.094 0.318 0.000 1.205 52 V CA 0.386 62.880 62.300 0.325 0.000 1.234 52 V CB -0.404 31.477 31.823 0.098 0.000 1.020 52 V HN 0.187 nan 8.190 nan 0.000 0.491 53 Y N 0.446 120.865 120.300 0.198 0.000 2.509 53 Y HA 0.081 4.631 4.550 0.000 0.000 0.293 53 Y C 2.137 178.148 175.900 0.185 0.000 1.133 53 Y CA 0.876 59.081 58.100 0.175 0.000 1.283 53 Y CB -0.354 38.170 38.460 0.106 0.000 1.001 53 Y HN 0.148 nan 8.280 nan 0.000 0.555 54 L N -0.287 121.117 121.223 0.301 0.000 2.095 54 L HA -0.079 4.261 4.340 -0.000 0.000 0.204 54 L C -0.464 176.507 176.870 0.169 0.000 1.080 54 L CA 0.906 55.879 54.840 0.221 0.000 0.759 54 L CB -1.373 40.773 42.059 0.146 0.000 0.914 54 L HN 0.131 nan 8.230 nan 0.000 0.439 55 P HA -0.188 nan 4.420 nan 0.000 0.216 55 P C 1.938 179.226 177.300 -0.020 0.000 1.153 55 P CA 1.262 64.270 63.100 -0.153 0.000 0.848 55 P CB 0.121 31.424 31.700 -0.663 0.000 0.787 56 L N -0.818 120.566 121.223 0.268 0.000 2.042 56 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 56 L C 2.175 179.072 176.870 0.044 0.000 1.076 56 L CA 1.835 56.843 54.840 0.281 0.000 0.749 56 L CB -0.772 41.430 42.059 0.238 0.000 0.893 56 L HN -0.057 nan 8.230 nan 0.000 0.432 57 A N -0.188 122.686 122.820 0.091 0.000 1.902 57 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 57 A C 2.411 179.923 177.584 -0.121 0.000 1.181 57 A CA 1.736 53.784 52.037 0.018 0.000 0.623 57 A CB -0.634 18.545 19.000 0.298 0.000 0.818 57 A HN 0.499 nan 8.150 nan 0.000 0.443 58 R N -0.602 119.953 120.500 0.092 0.000 2.070 58 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 58 R C 2.130 178.367 176.300 -0.105 0.000 1.138 58 R CA 1.911 58.068 56.100 0.095 0.000 0.936 58 R CB -0.590 29.794 30.300 0.140 0.000 0.839 58 R HN 0.434 nan 8.270 nan 0.000 0.429 59 L N 1.523 122.678 121.223 -0.113 0.000 2.021 59 L HA -0.200 4.140 4.340 -0.000 0.000 0.215 59 L C 2.101 178.820 176.870 -0.252 0.000 1.074 59 L CA 1.772 56.536 54.840 -0.126 0.000 0.760 59 L CB -0.551 41.484 42.059 -0.040 0.000 0.889 59 L HN 0.319 nan 8.230 nan 0.000 0.433 60 I N -1.193 119.119 120.570 -0.429 0.000 2.226 60 I HA -0.342 3.828 4.170 -0.000 0.000 0.245 60 I C 2.335 178.028 176.117 -0.706 0.000 1.100 60 I CA 1.646 62.538 61.300 -0.680 0.000 1.374 60 I CB -0.385 37.150 38.000 -0.774 0.000 1.057 60 I HN 0.416 nan 8.210 nan 0.000 0.413 61 H N -0.445 118.242 119.070 -0.639 0.000 2.428 61 H HA -0.121 4.434 4.556 -0.000 0.000 0.296 61 H C 1.975 177.041 175.328 -0.437 0.000 1.062 61 H CA 0.751 56.396 56.048 -0.672 0.000 1.350 61 H CB 0.266 29.415 29.762 -1.022 0.000 1.403 61 H HN 0.095 nan 8.280 nan 0.000 0.533 62 L N 0.762 121.868 121.223 -0.195 0.000 2.012 62 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 62 L C 1.997 178.808 176.870 -0.098 0.000 1.073 62 L CA 1.787 56.564 54.840 -0.106 0.000 0.748 62 L CB -0.611 41.411 42.059 -0.062 0.000 0.891 62 L HN 0.369 nan 8.230 nan 0.000 0.431 63 Q N -1.574 118.150 119.800 -0.127 0.000 2.311 63 Q HA -0.072 4.268 4.340 -0.000 0.000 0.203 63 Q C 2.124 178.094 176.000 -0.051 0.000 0.954 63 Q CA 0.800 56.590 55.803 -0.021 0.000 0.885 63 Q CB 0.121 28.924 28.738 0.108 0.000 0.963 63 Q HN 0.383 nan 8.270 nan 0.000 0.471 64 V N 0.661 120.345 119.914 -0.383 0.000 2.515 64 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 64 V C 2.164 178.221 176.094 -0.062 0.000 1.058 64 V CA 1.844 63.872 62.300 -0.454 0.000 1.064 64 V CB -0.753 30.685 31.823 -0.642 0.000 0.675 64 V HN 0.343 nan 8.190 nan 0.000 0.461 65 A N 0.062 122.840 122.820 -0.070 0.000 1.874 65 A HA 0.093 4.413 4.320 -0.000 0.000 0.214 65 A C 2.416 180.029 177.584 0.048 0.000 1.189 65 A CA 1.496 53.526 52.037 -0.012 0.000 0.615 65 A CB -0.747 18.223 19.000 -0.050 0.000 0.830 65 A HN 0.517 nan 8.150 nan 0.000 0.443 66 A N -0.383 122.465 122.820 0.046 0.000 1.978 66 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 66 A C 2.181 179.829 177.584 0.107 0.000 1.170 66 A CA 2.010 54.087 52.037 0.066 0.000 0.636 66 A CB -0.381 18.654 19.000 0.059 0.000 0.810 66 A HN 0.457 nan 8.150 nan 0.000 0.448 67 R N -1.219 119.395 120.500 0.189 0.000 2.119 67 R HA 0.020 4.360 4.340 -0.000 0.000 0.222 67 R C 2.566 179.060 176.300 0.322 0.000 1.088 67 R CA 1.641 57.893 56.100 0.254 0.000 0.984 67 R CB -0.580 29.997 30.300 0.463 0.000 0.884 67 R HN 0.528 nan 8.270 nan 0.000 0.447 68 Q N 0.616 120.599 119.800 0.304 0.000 2.291 68 Q HA -0.063 4.277 4.340 -0.000 0.000 0.205 68 Q C 2.001 178.140 176.000 0.232 0.000 0.970 68 Q CA 1.452 57.442 55.803 0.311 0.000 0.876 68 Q CB -0.654 28.195 28.738 0.185 0.000 0.935 68 Q HN 0.261 nan 8.270 nan 0.000 0.455 69 R N -0.525 120.060 120.500 0.142 0.000 2.075 69 R HA 0.069 4.409 4.340 -0.000 0.000 0.232 69 R C 2.341 178.673 176.300 0.053 0.000 1.126 69 R CA 1.150 57.300 56.100 0.084 0.000 0.963 69 R CB -0.403 29.928 30.300 0.052 0.000 0.858 69 R HN 0.582 nan 8.270 nan 0.000 0.435 70 L N -0.191 121.027 121.223 -0.008 0.000 2.012 70 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 70 L C 2.102 178.862 176.870 -0.183 0.000 1.073 70 L CA 1.609 56.354 54.840 -0.157 0.000 0.748 70 L CB -0.345 41.515 42.059 -0.331 0.000 0.891 70 L HN 0.137 nan 8.230 nan 0.000 0.431 71 F N -0.888 119.088 119.950 0.043 0.000 2.451 71 F HA -0.143 4.384 4.527 0.000 0.000 0.299 71 F C 2.370 178.198 175.800 0.047 0.000 1.101 71 F CA 0.664 58.690 58.000 0.042 0.000 1.436 71 F CB -0.611 38.416 39.000 0.044 0.000 1.074 71 F HN 0.067 nan 8.300 nan 0.000 0.553 72 A N 0.222 123.155 122.820 0.189 0.000 1.897 72 A HA -0.005 4.314 4.320 -0.000 0.000 0.215 72 A C 2.438 180.084 177.584 0.103 0.000 1.181 72 A CA 1.461 53.577 52.037 0.132 0.000 0.620 72 A CB -1.134 17.928 19.000 0.103 0.000 0.821 72 A HN 0.283 nan 8.150 nan 0.000 0.443 73 A N -0.855 122.008 122.820 0.072 0.000 1.877 73 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 73 A C 2.282 179.931 177.584 0.109 0.000 1.186 73 A CA 2.297 54.375 52.037 0.068 0.000 0.620 73 A CB -1.355 17.656 19.000 0.018 0.000 0.822 73 A HN 0.407 nan 8.150 nan 0.000 0.443 74 T N 0.159 114.763 114.554 0.083 0.000 2.881 74 T HA 0.021 4.371 4.350 -0.000 0.000 0.270 74 T C 2.072 176.889 174.700 0.195 0.000 1.068 74 T CA 1.414 63.588 62.100 0.122 0.000 1.131 74 T CB -0.304 68.612 68.868 0.080 0.000 0.871 74 T HN 0.588 nan 8.240 nan 0.000 0.479 75 A N 1.339 124.256 122.820 0.161 0.000 1.874 75 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 75 A C 2.199 179.850 177.584 0.112 0.000 1.189 75 A CA 1.488 53.605 52.037 0.134 0.000 0.615 75 A CB -0.518 18.553 19.000 0.118 0.000 0.830 75 A HN 0.577 nan 8.150 nan 0.000 0.443 76 E N -1.169 119.098 120.200 0.112 0.000 2.118 76 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 76 E C 1.719 178.370 176.600 0.086 0.000 0.992 76 E CA 1.402 57.852 56.400 0.084 0.000 0.804 76 E CB -0.278 29.473 29.700 0.084 0.000 0.741 76 E HN 0.556 nan 8.360 nan 0.000 0.458 77 F N 1.429 121.390 119.950 0.018 0.000 2.031 77 F HA -0.125 4.402 4.527 -0.000 0.000 0.295 77 F C 1.938 177.747 175.800 0.015 0.000 1.133 77 F CA 1.509 59.517 58.000 0.013 0.000 1.188 77 F CB -0.370 38.636 39.000 0.010 0.000 0.974 77 F HN -0.025 nan 8.300 nan 0.000 0.473 78 L N 0.582 121.846 121.223 0.069 0.000 2.551 78 L HA -0.041 4.299 4.340 -0.000 0.000 0.230 78 L C 1.604 178.422 176.870 -0.086 0.000 1.163 78 L CA 0.851 55.674 54.840 -0.028 0.000 0.826 78 L CB -1.732 40.395 42.059 0.113 0.000 0.943 78 L HN 0.587 nan 8.230 nan 0.000 0.452 79 G N 0.666 109.421 108.800 -0.074 0.000 2.341 79 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.292 79 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.292 79 G C 0.306 175.192 174.900 -0.023 0.000 1.021 79 G CA 0.224 45.290 45.100 -0.057 0.000 0.905 79 G HN 0.451 nan 8.290 nan 0.000 0.508 80 E N 0.057 120.259 120.200 0.004 0.000 2.421 80 E HA 0.289 4.639 4.350 -0.000 0.000 0.253 80 E C -0.754 175.853 176.600 0.012 0.000 1.277 80 E CA -1.152 55.254 56.400 0.011 0.000 0.968 80 E CB -0.099 29.618 29.700 0.028 0.000 1.040 80 E HN 0.236 nan 8.360 nan 0.000 0.512 86 D N -1.464 118.945 120.400 0.015 0.000 2.411 86 D HA 0.400 5.040 4.640 -0.000 0.000 0.374 86 D C 0.512 176.826 176.300 0.024 0.000 1.187 86 D CA 0.867 54.879 54.000 0.021 0.000 0.928 86 D CB 0.301 41.109 40.800 0.014 0.000 1.402 86 D HN 0.563 nan 8.370 nan 0.000 0.478 87 R N 1.467 121.974 120.500 0.013 0.000 2.310 87 R HA 0.543 4.883 4.340 -0.000 0.000 0.316 87 R C -2.589 173.721 176.300 0.017 0.000 1.004 87 R CA -0.989 55.119 56.100 0.014 0.000 0.900 87 R CB 1.494 31.778 30.300 -0.025 0.000 1.152 87 R HN 0.153 nan 8.270 nan 0.000 0.513 88 P HA 0.024 nan 4.420 nan 0.000 0.271 88 P C -0.875 176.410 177.300 -0.024 0.000 1.244 88 P CA -0.566 62.548 63.100 0.024 0.000 0.793 88 P CB 0.553 32.288 31.700 0.058 0.000 0.984 89 V N 2.016 121.870 119.914 -0.099 0.000 2.508 89 V HA 0.169 4.289 4.120 -0.000 0.000 0.281 89 V C -1.978 174.039 176.094 -0.129 0.000 1.041 89 V CA -1.344 60.810 62.300 -0.243 0.000 1.016 89 V CB 0.152 31.553 31.823 -0.703 0.000 0.984 89 V HN 0.575 nan 8.190 nan 0.000 0.478 90 P HA 0.026 nan 4.420 nan 0.000 0.266 90 P C -0.735 176.594 177.300 0.048 0.000 1.195 90 P CA 0.010 63.112 63.100 0.004 0.000 0.768 90 P CB 0.193 31.880 31.700 -0.022 0.000 0.838 91 F N 4.798 124.734 119.950 -0.024 0.000 2.375 91 F HA 0.284 4.811 4.527 -0.000 0.000 0.362 91 F C -0.156 175.654 175.800 0.017 0.000 1.129 91 F CA -0.758 57.248 58.000 0.010 0.000 1.154 91 F CB 0.078 39.079 39.000 0.002 0.000 1.205 91 F HN 0.098 nan 8.300 nan 0.000 0.513 92 I N 7.846 128.329 120.570 -0.145 0.000 2.396 92 I HA 0.184 4.354 4.170 -0.000 0.000 0.289 92 I C 0.104 176.135 176.117 -0.143 0.000 1.056 92 I CA -0.225 61.042 61.300 -0.055 0.000 1.365 92 I CB 0.426 38.465 38.000 0.066 0.000 1.407 92 I HN 0.475 nan 8.210 nan 0.000 0.509 93 I N 5.088 125.602 120.570 -0.094 0.000 2.433 93 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 93 I C 0.580 176.418 176.117 -0.466 0.000 1.001 93 I CA -0.500 60.714 61.300 -0.144 0.000 1.119 93 I CB 2.140 40.188 38.000 0.080 0.000 1.289 93 I HN 0.619 nan 8.210 nan 0.000 0.438 94 G N 5.246 113.543 108.800 -0.838 0.000 2.379 94 G HA2 0.620 4.580 3.960 -0.000 0.000 0.327 94 G HA3 0.620 4.580 3.960 -0.000 0.000 0.327 94 G C -0.980 173.717 174.900 -0.340 0.000 1.145 94 G CA -0.362 44.142 45.100 -0.994 0.000 0.905 94 G HN 0.337 nan 8.290 nan 0.000 0.466 95 V N 1.232 121.040 119.914 -0.177 0.000 2.487 95 V HA 0.787 4.907 4.120 -0.000 0.000 0.298 95 V C 0.287 176.346 176.094 -0.059 0.000 1.028 95 V CA -0.614 61.645 62.300 -0.069 0.000 0.860 95 V CB 1.018 32.827 31.823 -0.024 0.000 0.991 95 V HN 1.133 nan 8.190 nan 0.000 0.427 96 A N 3.279 126.051 122.820 -0.081 0.000 2.423 96 A HA 1.090 5.410 4.320 -0.000 0.000 0.304 96 A C 0.000 177.362 177.584 -0.369 0.000 1.104 96 A CA -0.157 51.803 52.037 -0.129 0.000 0.757 96 A CB 2.200 21.192 19.000 -0.013 0.000 1.313 96 A HN 1.676 nan 8.150 nan 0.000 0.423 97 G N -0.882 107.701 108.800 -0.362 0.000 2.325 97 G HA2 0.547 4.507 3.960 -0.000 0.000 0.297 97 G HA3 0.547 4.507 3.960 -0.000 0.000 0.297 97 G C -0.328 174.466 174.900 -0.177 0.000 1.448 97 G CA 0.234 45.056 45.100 -0.464 0.000 0.838 97 G HN 1.562 nan 8.290 nan 0.000 0.579 98 S N -1.570 114.074 115.700 -0.093 0.000 2.606 98 S HA 0.486 4.956 4.470 -0.000 0.000 0.257 98 S C 0.818 175.481 174.600 0.104 0.000 1.327 98 S CA -0.202 58.017 58.200 0.032 0.000 0.984 98 S CB 0.912 64.180 63.200 0.114 0.000 0.941 98 S HN 1.164 nan 8.310 nan 0.000 0.576 99 V N 2.748 122.761 119.914 0.165 0.000 2.715 99 V HA 0.467 4.587 4.120 -0.000 0.000 0.299 99 V C 1.222 177.512 176.094 0.326 0.000 1.054 99 V CA 0.920 63.363 62.300 0.238 0.000 1.077 99 V CB 0.158 32.145 31.823 0.274 0.000 0.972 99 V HN 1.600 nan 8.190 nan 0.000 0.484 100 A N 3.776 126.777 122.820 0.301 0.000 2.979 100 A HA -0.159 4.161 4.320 -0.000 0.000 0.260 100 A C 1.241 179.055 177.584 0.384 0.000 1.282 100 A CA 1.080 53.315 52.037 0.330 0.000 0.971 100 A CB -1.886 17.381 19.000 0.445 0.000 1.124 100 A HN 1.314 nan 8.150 nan 0.000 0.826 101 V N -1.095 119.008 119.914 0.315 0.000 3.506 101 V HA 0.445 4.565 4.120 -0.000 0.000 0.263 101 V C 1.800 178.060 176.094 0.276 0.000 1.203 101 V CA 2.356 64.889 62.300 0.389 0.000 1.133 101 V CB 0.102 32.060 31.823 0.225 0.000 0.802 101 V HN 2.439 nan 8.190 nan 0.000 0.459 102 G N 0.789 109.690 108.800 0.168 0.000 2.163 102 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.213 102 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.213 102 G C 0.914 175.857 174.900 0.071 0.000 0.991 102 G CA 0.555 45.710 45.100 0.092 0.000 0.653 102 G HN 0.607 nan 8.290 nan 0.000 0.518 103 K N 1.027 121.464 120.400 0.062 0.000 2.074 103 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 103 K C 2.594 179.222 176.600 0.047 0.000 1.048 103 K CA 2.368 58.677 56.287 0.036 0.000 0.926 103 K CB -0.630 31.867 32.500 -0.004 0.000 0.713 103 K HN 0.851 nan 8.250 nan 0.000 0.444 104 S N 0.720 116.448 115.700 0.048 0.000 2.368 104 S HA -0.158 4.312 4.470 -0.000 0.000 0.225 104 S C 2.091 176.709 174.600 0.030 0.000 1.030 104 S CA 1.675 59.902 58.200 0.044 0.000 0.999 104 S CB -0.960 62.266 63.200 0.043 0.000 0.844 104 S HN 0.395 nan 8.310 nan 0.000 0.459 105 T N 2.182 116.746 114.554 0.016 0.000 2.674 105 T HA -0.076 4.274 4.350 -0.000 0.000 0.265 105 T C 2.036 176.744 174.700 0.014 0.000 1.039 105 T CA 1.953 64.047 62.100 -0.009 0.000 1.150 105 T CB -1.105 67.740 68.868 -0.038 0.000 0.864 105 T HN 0.574 nan 8.240 nan 0.000 0.427 106 T N 2.043 116.644 114.554 0.078 0.000 2.685 106 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 106 T C 2.278 177.075 174.700 0.162 0.000 1.034 106 T CA 1.386 63.605 62.100 0.198 0.000 1.149 106 T CB -0.571 68.424 68.868 0.212 0.000 0.860 106 T HN 0.447 nan 8.240 nan 0.000 0.449 107 A N 1.406 124.281 122.820 0.093 0.000 1.902 107 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 107 A C 2.385 180.002 177.584 0.055 0.000 1.181 107 A CA 1.378 53.459 52.037 0.072 0.000 0.623 107 A CB -0.451 18.581 19.000 0.053 0.000 0.818 107 A HN 0.423 nan 8.150 nan 0.000 0.443 108 R N -0.709 119.810 120.500 0.031 0.000 2.075 108 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 108 R C 2.047 178.344 176.300 -0.006 0.000 1.126 108 R CA 1.394 57.499 56.100 0.010 0.000 0.963 108 R CB -0.491 29.804 30.300 -0.008 0.000 0.858 108 R HN 0.404 nan 8.270 nan 0.000 0.435 109 V N 1.275 121.168 119.914 -0.034 0.000 2.270 109 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 109 V C 2.194 178.300 176.094 0.019 0.000 1.043 109 V CA 1.437 63.686 62.300 -0.086 0.000 1.014 109 V CB -0.455 31.179 31.823 -0.315 0.000 0.645 109 V HN 0.211 nan 8.190 nan 0.000 0.447 110 L N -0.021 121.266 121.223 0.107 0.000 2.129 110 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 110 L C 2.538 179.451 176.870 0.070 0.000 1.087 110 L CA 2.231 57.155 54.840 0.141 0.000 0.757 110 L CB -0.668 41.479 42.059 0.146 0.000 0.896 110 L HN 0.463 nan 8.230 nan 0.000 0.434 111 Q N -1.283 118.545 119.800 0.047 0.000 2.049 111 Q HA -0.177 4.163 4.340 -0.000 0.000 0.198 111 Q C 2.168 178.185 176.000 0.029 0.000 0.971 111 Q CA 1.537 57.357 55.803 0.030 0.000 0.833 111 Q CB -0.163 28.590 28.738 0.025 0.000 0.896 111 Q HN 0.564 nan 8.270 nan 0.000 0.434 112 A N 0.781 123.615 122.820 0.023 0.000 1.877 112 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 112 A C 1.995 179.608 177.584 0.049 0.000 1.186 112 A CA 1.226 53.273 52.037 0.016 0.000 0.620 112 A CB -0.751 18.248 19.000 -0.002 0.000 0.822 112 A HN 0.435 nan 8.150 nan 0.000 0.443 113 L N -1.060 120.211 121.223 0.080 0.000 2.012 113 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 113 L C 2.352 179.376 176.870 0.257 0.000 1.073 113 L CA 1.496 56.430 54.840 0.156 0.000 0.748 113 L CB -0.760 41.409 42.059 0.183 0.000 0.891 113 L HN 0.301 nan 8.230 nan 0.000 0.431 114 L N -1.044 120.286 121.223 0.178 0.000 2.109 114 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 114 L C 2.496 179.497 176.870 0.219 0.000 1.086 114 L CA 1.784 56.737 54.840 0.189 0.000 0.760 114 L CB -1.337 40.694 42.059 -0.048 0.000 0.910 114 L HN 0.248 nan 8.230 nan 0.000 0.437 115 A N -0.860 122.010 122.820 0.084 0.000 2.121 115 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 115 A C 1.530 179.045 177.584 -0.114 0.000 1.154 115 A CA 0.687 52.714 52.037 -0.018 0.000 0.679 115 A CB -0.409 18.564 19.000 -0.046 0.000 0.795 115 A HN 0.346 nan 8.150 nan 0.000 0.458 116 R N -0.652 119.845 120.500 -0.004 0.000 3.785 116 R HA 0.157 4.497 4.340 -0.000 0.000 0.255 116 R C -1.324 175.025 176.300 0.083 0.000 1.485 116 R CA -0.224 55.829 56.100 -0.079 0.000 1.555 116 R CB 0.205 30.488 30.300 -0.030 0.000 1.362 116 R HN 0.560 nan 8.270 nan 0.000 0.702 117 W N 2.050 123.288 121.300 -0.104 0.000 2.619 117 W HA 0.121 4.781 4.660 -0.000 0.000 0.327 117 W C -0.126 176.457 176.519 0.107 0.000 1.027 117 W CA -0.859 56.476 57.345 -0.017 0.000 1.233 117 W CB 1.349 30.736 29.460 -0.122 0.000 1.370 117 W HN 0.389 nan 8.180 nan 0.000 0.453 118 D N 1.583 122.053 120.400 0.115 0.000 3.818 118 D HA -0.411 4.229 4.640 -0.000 0.000 0.506 118 D C 1.802 178.262 176.300 0.268 0.000 1.227 118 D CA 3.110 57.201 54.000 0.152 0.000 1.422 118 D CB -0.985 39.853 40.800 0.063 0.000 0.651 118 D HN 0.803 nan 8.370 nan 0.000 0.626 119 H N -1.428 117.752 119.070 0.183 0.000 2.557 119 H HA -0.049 4.507 4.556 0.000 0.000 0.287 119 H C 0.070 175.530 175.328 0.220 0.000 1.043 119 H CA 1.000 57.133 56.048 0.142 0.000 1.226 119 H CB -0.517 29.304 29.762 0.097 0.000 1.361 119 H HN 0.265 nan 8.280 nan 0.000 0.592 120 H N -0.240 118.680 119.070 -0.251 0.000 2.740 120 H HA -0.089 4.467 4.556 -0.000 0.000 0.327 120 H C -2.296 172.875 175.328 -0.262 0.000 1.077 120 H CA 0.063 55.986 56.048 -0.207 0.000 1.088 120 H CB -1.225 28.495 29.762 -0.070 0.000 1.619 120 H HN 0.613 nan 8.280 nan 0.000 0.386 121 P HA 0.216 nan 4.420 nan 0.000 0.274 121 P C 0.105 177.362 177.300 -0.071 0.000 1.256 121 P CA -0.396 62.595 63.100 -0.181 0.000 0.795 121 P CB 0.865 32.489 31.700 -0.126 0.000 1.038 122 R N 0.907 121.397 120.500 -0.016 0.000 2.369 122 R HA 0.326 4.666 4.340 -0.000 0.000 0.310 122 R C -1.172 175.128 176.300 -0.001 0.000 1.141 122 R CA -0.478 55.617 56.100 -0.009 0.000 1.116 122 R CB 0.047 30.348 30.300 0.001 0.000 1.135 122 R HN 0.272 nan 8.270 nan 0.000 0.529 123 V N 4.335 124.245 119.914 -0.006 0.000 2.318 123 V HA 0.164 4.284 4.120 -0.000 0.000 0.271 123 V C 0.402 176.506 176.094 0.016 0.000 1.030 123 V CA -0.541 61.764 62.300 0.008 0.000 0.844 123 V CB 1.252 33.076 31.823 0.001 0.000 1.015 123 V HN 0.543 nan 8.190 nan 0.000 0.460 124 D N 3.257 123.675 120.400 0.030 0.000 2.340 124 D HA 0.575 5.215 4.640 -0.000 0.000 0.251 124 D C -0.805 175.533 176.300 0.063 0.000 1.080 124 D CA -0.374 53.654 54.000 0.046 0.000 0.971 124 D CB 2.716 43.551 40.800 0.059 0.000 1.137 124 D HN 0.351 nan 8.370 nan 0.000 0.475 125 L N 1.183 122.449 121.223 0.073 0.000 2.476 125 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 125 L C -1.667 175.261 176.870 0.096 0.000 0.965 125 L CA -0.553 54.334 54.840 0.078 0.000 0.845 125 L CB 1.711 43.805 42.059 0.057 0.000 1.259 125 L HN 0.067 nan 8.230 nan 0.000 0.403 126 V N 2.967 122.955 119.914 0.125 0.000 2.540 126 V HA 0.681 4.801 4.120 -0.000 0.000 0.302 126 V C 0.096 176.262 176.094 0.120 0.000 1.035 126 V CA -0.267 62.107 62.300 0.124 0.000 0.873 126 V CB 2.207 34.143 31.823 0.189 0.000 0.992 126 V HN 0.861 nan 8.190 nan 0.000 0.428 127 T N -0.699 113.914 114.554 0.099 0.000 2.837 127 T HA 0.257 4.607 4.350 -0.000 0.000 0.285 127 T C 1.203 175.995 174.700 0.153 0.000 0.984 127 T CA 0.209 62.380 62.100 0.117 0.000 1.049 127 T CB 1.381 70.321 68.868 0.119 0.000 0.947 127 T HN 0.878 nan 8.240 nan 0.000 0.472 128 T N -0.878 113.794 114.554 0.196 0.000 3.007 128 T HA -0.127 4.223 4.350 -0.000 0.000 0.270 128 T C 1.258 176.178 174.700 0.367 0.000 1.107 128 T CA 1.136 63.430 62.100 0.324 0.000 1.118 128 T CB -0.765 68.212 68.868 0.182 0.000 0.889 128 T HN 0.777 nan 8.240 nan 0.000 0.506 129 D N 1.560 122.062 120.400 0.170 0.000 2.351 129 D HA 0.025 4.665 4.640 -0.000 0.000 0.216 129 D C 2.008 178.169 176.300 -0.231 0.000 0.968 129 D CA 0.823 54.750 54.000 -0.123 0.000 0.899 129 D CB -0.997 39.583 40.800 -0.366 0.000 0.907 129 D HN 0.530 nan 8.370 nan 0.000 0.514 130 G N -1.078 107.658 108.800 -0.107 0.000 2.650 130 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.214 130 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.214 130 G C 0.626 175.266 174.900 -0.434 0.000 1.136 130 G CA -0.186 44.764 45.100 -0.249 0.000 0.789 130 G HN 0.300 nan 8.290 nan 0.000 0.536 131 F N -0.138 119.744 119.950 -0.113 0.000 2.639 131 F HA 0.439 4.966 4.527 0.000 0.000 0.300 131 F C 0.528 176.172 175.800 -0.259 0.000 1.109 131 F CA -0.839 57.082 58.000 -0.132 0.000 1.335 131 F CB 0.452 39.428 39.000 -0.040 0.000 1.014 131 F HN -0.103 nan 8.300 nan 0.000 0.537 132 L N 0.346 121.407 121.223 -0.269 0.000 2.397 132 L HA 0.143 4.483 4.340 -0.000 0.000 0.271 132 L C -0.178 176.517 176.870 -0.292 0.000 1.148 132 L CA -0.626 53.916 54.840 -0.496 0.000 0.825 132 L CB -0.039 41.655 42.059 -0.608 0.000 1.117 132 L HN 0.061 nan 8.230 nan 0.000 0.456 133 Y N 4.541 124.756 120.300 -0.142 0.000 2.480 133 Y HA 0.119 4.669 4.550 -0.000 0.000 0.338 133 Y C -1.565 174.285 175.900 -0.084 0.000 1.220 133 Y CA -1.279 56.777 58.100 -0.073 0.000 1.430 133 Y CB -0.055 38.376 38.460 -0.049 0.000 1.311 133 Y HN 0.578 nan 8.280 nan 0.000 0.575 134 P HA -0.029 nan 4.420 nan 0.000 0.269 134 P C 0.011 177.321 177.300 0.016 0.000 1.217 134 P CA 0.045 63.166 63.100 0.036 0.000 0.783 134 P CB 0.678 32.397 31.700 0.030 0.000 0.898 135 N N 0.973 119.658 118.700 -0.026 0.000 2.205 135 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 135 N C 1.658 177.170 175.510 0.003 0.000 1.015 135 N CA 1.733 54.767 53.050 -0.026 0.000 0.862 135 N CB -0.931 37.530 38.487 -0.043 0.000 0.986 135 N HN 0.417 nan 8.380 nan 0.000 0.429 136 A N 1.333 124.154 122.820 0.003 0.000 1.845 136 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 136 A C 2.139 179.719 177.584 -0.007 0.000 1.195 136 A CA 1.301 53.340 52.037 0.003 0.000 0.616 136 A CB -0.525 18.475 19.000 0.000 0.000 0.832 136 A HN 0.112 nan 8.150 nan 0.000 0.443 137 E N -0.043 120.151 120.200 -0.009 0.000 2.118 137 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 137 E C 2.054 178.608 176.600 -0.076 0.000 0.992 137 E CA 0.986 57.352 56.400 -0.057 0.000 0.804 137 E CB -0.346 29.319 29.700 -0.058 0.000 0.741 137 E HN 0.671 nan 8.360 nan 0.000 0.458 138 L N 0.200 121.411 121.223 -0.020 0.000 2.017 138 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 138 L C 2.690 179.557 176.870 -0.005 0.000 1.073 138 L CA 1.293 56.125 54.840 -0.013 0.000 0.745 138 L CB -0.430 41.635 42.059 0.011 0.000 0.894 138 L HN 0.119 nan 8.230 nan 0.000 0.432 139 Q N -0.481 119.327 119.800 0.014 0.000 2.096 139 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 139 Q C 2.370 178.375 176.000 0.008 0.000 0.982 139 Q CA 1.562 57.381 55.803 0.028 0.000 0.850 139 Q CB -0.178 28.579 28.738 0.033 0.000 0.901 139 Q HN 0.298 nan 8.270 nan 0.000 0.422 140 R N 0.656 121.147 120.500 -0.015 0.000 2.105 140 R HA -0.125 4.215 4.340 -0.000 0.000 0.239 140 R C 1.534 177.811 176.300 -0.037 0.000 1.135 140 R CA 1.392 57.475 56.100 -0.028 0.000 0.967 140 R CB 0.095 30.368 30.300 -0.046 0.000 0.861 140 R HN 0.127 nan 8.270 nan 0.000 0.442 141 R N -0.308 120.158 120.500 -0.057 0.000 2.317 141 R HA 0.065 4.405 4.340 -0.000 0.000 0.208 141 R C 0.140 176.429 176.300 -0.017 0.000 0.914 141 R CA 0.278 56.342 56.100 -0.060 0.000 1.060 141 R CB -0.022 30.207 30.300 -0.118 0.000 1.015 141 R HN 0.251 nan 8.270 nan 0.000 0.498 142 N N -0.075 118.634 118.700 0.014 0.000 2.758 142 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 142 N C -0.655 174.913 175.510 0.096 0.000 1.076 142 N CA 0.267 53.362 53.050 0.075 0.000 0.696 142 N CB -0.506 38.028 38.487 0.077 0.000 0.979 142 N HN 0.061 nan 8.380 nan 0.000 0.550 143 L N -0.453 120.771 121.223 0.001 0.000 2.959 143 L HA 0.316 4.656 4.340 -0.000 0.000 0.259 143 L C 1.642 178.434 176.870 -0.130 0.000 1.185 143 L CA 0.057 54.804 54.840 -0.156 0.000 0.998 143 L CB -0.146 41.851 42.059 -0.104 0.000 1.337 143 L HN 0.350 nan 8.230 nan 0.000 0.555 144 M N -0.166 119.459 119.600 0.041 0.000 2.149 144 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 144 M C 2.091 178.478 176.300 0.146 0.000 1.064 144 M CA 1.647 57.019 55.300 0.120 0.000 1.102 144 M CB -1.004 31.707 32.600 0.186 0.000 1.369 144 M HN 0.566 nan 8.290 nan 0.000 0.408 145 H N -2.004 117.116 119.070 0.084 0.000 2.547 145 H HA 0.173 4.729 4.556 -0.000 0.000 0.266 145 H C 1.105 176.449 175.328 0.028 0.000 0.988 145 H CA 0.475 56.569 56.048 0.077 0.000 1.147 145 H CB -0.159 29.620 29.762 0.028 0.000 1.365 145 H HN 0.228 nan 8.280 nan 0.000 0.589 146 R N 0.784 121.000 120.500 -0.474 0.000 2.662 146 R HA 0.133 4.473 4.340 -0.000 0.000 0.396 146 R C -0.372 175.981 176.300 0.088 0.000 1.096 146 R CA -0.375 55.471 56.100 -0.425 0.000 1.081 146 R CB 0.475 30.265 30.300 -0.850 0.000 1.382 146 R HN 0.156 nan 8.270 nan 0.000 0.580 147 K N 0.462 120.945 120.400 0.139 0.000 2.382 147 K HA 0.076 4.396 4.320 -0.000 0.000 0.286 147 K C 0.757 177.485 176.600 0.213 0.000 1.062 147 K CA 1.000 57.368 56.287 0.135 0.000 1.000 147 K CB 0.310 32.887 32.500 0.129 0.000 0.954 147 K HN 0.397 nan 8.250 nan 0.000 0.470 148 G N 3.825 112.733 108.800 0.181 0.000 2.380 148 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.197 148 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.197 148 G C -0.274 174.788 174.900 0.269 0.000 1.001 148 G CA -0.632 44.599 45.100 0.218 0.000 0.668 148 G HN 0.481 nan 8.290 nan 0.000 0.483 149 F N 1.495 121.523 119.950 0.130 0.000 2.444 149 F HA 0.456 4.982 4.527 -0.000 0.000 0.331 149 F C -0.457 175.460 175.800 0.196 0.000 1.167 149 F CA -1.243 56.822 58.000 0.108 0.000 1.262 149 F CB 0.641 39.663 39.000 0.037 0.000 1.196 149 F HN -0.165 nan 8.300 nan 0.000 0.583 150 P HA -0.200 nan 4.420 nan 0.000 0.218 150 P C 0.661 178.113 177.300 0.253 0.000 1.146 150 P CA 1.697 64.905 63.100 0.180 0.000 0.820 150 P CB 0.097 31.847 31.700 0.083 0.000 0.778 151 E N -0.813 119.541 120.200 0.257 0.000 2.285 151 E HA -0.076 4.274 4.350 -0.000 0.000 0.194 151 E C 1.854 178.624 176.600 0.283 0.000 0.997 151 E CA 1.155 57.688 56.400 0.221 0.000 0.845 151 E CB -0.727 29.055 29.700 0.137 0.000 0.782 151 E HN 0.324 nan 8.360 nan 0.000 0.491 152 S N -0.473 115.395 115.700 0.280 0.000 2.561 152 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 152 S C 0.118 174.753 174.600 0.059 0.000 0.977 152 S CA -0.118 58.200 58.200 0.196 0.000 0.926 152 S CB -0.237 62.995 63.200 0.054 0.000 0.769 152 S HN 0.096 nan 8.310 nan 0.000 0.533 153 Y N 1.639 121.952 120.300 0.022 0.000 2.453 153 Y HA 0.506 5.056 4.550 0.000 0.000 0.326 153 Y C 0.607 176.266 175.900 -0.402 0.000 1.186 153 Y CA -1.550 56.437 58.100 -0.187 0.000 1.200 153 Y CB 0.606 39.014 38.460 -0.086 0.000 1.247 153 Y HN 0.056 nan 8.280 nan 0.000 0.482 154 N N 2.179 120.609 118.700 -0.450 0.000 3.188 154 N HA 0.088 4.828 4.740 -0.000 0.000 0.279 154 N C 0.589 176.057 175.510 -0.069 0.000 1.213 154 N CA 0.078 52.880 53.050 -0.413 0.000 1.138 154 N CB -0.002 38.239 38.487 -0.410 0.000 1.417 154 N HN 0.697 nan 8.380 nan 0.000 0.526 155 R N 0.570 121.064 120.500 -0.010 0.000 2.159 155 R HA -0.144 4.196 4.340 -0.000 0.000 0.237 155 R C 1.731 178.000 176.300 -0.052 0.000 1.131 155 R CA 1.121 57.193 56.100 -0.048 0.000 0.982 155 R CB 0.126 30.412 30.300 -0.023 0.000 0.868 155 R HN 0.299 nan 8.270 nan 0.000 0.453 156 R N 0.924 121.428 120.500 0.007 0.000 2.070 156 R HA -0.076 4.264 4.340 -0.000 0.000 0.233 156 R C 2.117 178.423 176.300 0.009 0.000 1.137 156 R CA 1.839 57.951 56.100 0.019 0.000 0.945 156 R CB -0.589 29.748 30.300 0.063 0.000 0.845 156 R HN 0.211 nan 8.270 nan 0.000 0.430 157 A N 0.540 123.385 122.820 0.042 0.000 1.902 157 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 157 A C 2.054 179.617 177.584 -0.036 0.000 1.181 157 A CA 1.563 53.662 52.037 0.104 0.000 0.623 157 A CB -0.780 18.360 19.000 0.233 0.000 0.818 157 A HN 0.385 nan 8.150 nan 0.000 0.443 158 L N -1.171 119.841 121.223 -0.352 0.000 2.017 158 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 158 L C 2.404 179.071 176.870 -0.339 0.000 1.073 158 L CA 2.769 57.089 54.840 -0.867 0.000 0.745 158 L CB -0.605 40.999 42.059 -0.759 0.000 0.894 158 L HN 0.434 nan 8.230 nan 0.000 0.432 159 M N -0.451 119.037 119.600 -0.186 0.000 2.080 159 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 159 M C 2.405 178.677 176.300 -0.047 0.000 1.068 159 M CA 1.728 56.964 55.300 -0.107 0.000 1.109 159 M CB -0.454 32.097 32.600 -0.083 0.000 1.342 159 M HN 0.174 nan 8.290 nan 0.000 0.405 160 R N -1.279 119.217 120.500 -0.006 0.000 2.097 160 R HA -0.213 4.127 4.340 -0.000 0.000 0.236 160 R C 2.178 178.513 176.300 0.059 0.000 1.135 160 R CA 2.181 58.303 56.100 0.037 0.000 0.934 160 R CB -1.018 29.330 30.300 0.079 0.000 0.846 160 R HN 0.464 nan 8.270 nan 0.000 0.431 161 F N 1.229 121.158 119.950 -0.035 0.000 2.043 161 F HA -0.310 4.217 4.527 0.000 0.000 0.297 161 F C 2.120 177.907 175.800 -0.023 0.000 1.118 161 F CA 1.863 59.866 58.000 0.005 0.000 1.202 161 F CB -0.587 38.465 39.000 0.086 0.000 0.965 161 F HN -0.224 nan 8.300 nan 0.000 0.482 162 V N -0.262 119.616 119.914 -0.060 0.000 2.343 162 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 162 V C 2.306 178.306 176.094 -0.158 0.000 1.051 162 V CA 2.335 64.549 62.300 -0.143 0.000 1.036 162 V CB -1.318 30.504 31.823 -0.001 0.000 0.654 162 V HN 0.470 nan 8.190 nan 0.000 0.451 163 T N -0.647 113.845 114.554 -0.104 0.000 2.684 163 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 163 T C 2.162 176.799 174.700 -0.106 0.000 1.036 163 T CA 1.982 64.031 62.100 -0.084 0.000 1.148 163 T CB -0.388 68.449 68.868 -0.052 0.000 0.863 163 T HN 0.458 nan 8.240 nan 0.000 0.436 164 S N 0.170 115.796 115.700 -0.124 0.000 2.370 164 S HA -0.130 4.340 4.470 -0.000 0.000 0.226 164 S C 2.152 176.644 174.600 -0.180 0.000 1.033 164 S CA 1.197 59.320 58.200 -0.129 0.000 1.011 164 S CB -0.509 62.617 63.200 -0.123 0.000 0.852 164 S HN 0.296 nan 8.310 nan 0.000 0.457 165 V N 1.270 121.002 119.914 -0.303 0.000 2.307 165 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 165 V C 2.391 178.386 176.094 -0.166 0.000 1.045 165 V CA 1.856 63.987 62.300 -0.282 0.000 1.024 165 V CB -0.496 31.061 31.823 -0.442 0.000 0.651 165 V HN 0.433 nan 8.190 nan 0.000 0.449 166 K N -0.099 120.208 120.400 -0.154 0.000 2.362 166 K HA -0.068 4.252 4.320 -0.000 0.000 0.200 166 K C 1.943 178.465 176.600 -0.129 0.000 1.046 166 K CA 0.979 57.185 56.287 -0.135 0.000 0.952 166 K CB -0.047 32.380 32.500 -0.121 0.000 0.753 166 K HN 0.413 nan 8.250 nan 0.000 0.466 167 S N -0.367 115.274 115.700 -0.098 0.000 2.607 167 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 167 S C 0.915 175.481 174.600 -0.057 0.000 0.969 167 S CA 0.669 58.828 58.200 -0.068 0.000 0.927 167 S CB 0.480 63.653 63.200 -0.046 0.000 0.772 167 S HN 0.611 nan 8.310 nan 0.000 0.533 168 G N 1.860 110.624 108.800 -0.061 0.000 2.137 168 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.237 168 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.237 168 G C 0.163 175.061 174.900 -0.003 0.000 1.002 168 G CA 0.307 45.389 45.100 -0.030 0.000 0.702 168 G HN 0.567 nan 8.290 nan 0.000 0.515 169 S N -0.460 115.233 115.700 -0.011 0.000 2.558 169 S HA 0.233 4.703 4.470 -0.000 0.000 0.293 169 S C 1.580 176.230 174.600 0.084 0.000 1.292 169 S CA 0.738 58.949 58.200 0.019 0.000 1.063 169 S CB 0.480 63.669 63.200 -0.020 0.000 0.831 169 S HN 0.288 nan 8.310 nan 0.000 0.499 170 D N 2.024 122.498 120.400 0.125 0.000 2.092 170 D HA -0.000 4.640 4.640 -0.000 0.000 0.193 170 D C 0.193 176.685 176.300 0.320 0.000 0.994 170 D CA 1.775 55.904 54.000 0.214 0.000 0.828 170 D CB 0.006 40.900 40.800 0.156 0.000 0.963 170 D HN 0.723 nan 8.370 nan 0.000 0.450 171 Y N -0.912 119.446 120.300 0.097 0.000 2.442 171 Y HA 0.612 5.162 4.550 -0.000 0.000 0.344 171 Y C -1.170 174.768 175.900 0.064 0.000 0.976 171 Y CA -0.832 57.316 58.100 0.080 0.000 1.040 171 Y CB 1.357 39.862 38.460 0.075 0.000 1.228 171 Y HN -0.040 nan 8.280 nan 0.000 0.451 175 P HA 0.488 nan 4.420 nan 0.000 0.273 175 P C -0.822 176.290 177.300 -0.313 0.000 1.250 175 P CA -0.330 62.554 63.100 -0.361 0.000 0.793 175 P CB 0.642 32.114 31.700 -0.379 0.000 1.011 176 V N 0.877 120.683 119.914 -0.181 0.000 2.487 176 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 176 V C -0.858 175.202 176.094 -0.057 0.000 1.028 176 V CA -0.588 61.645 62.300 -0.111 0.000 0.860 176 V CB 1.218 32.996 31.823 -0.075 0.000 0.991 176 V HN 0.405 nan 8.190 nan 0.000 0.427 177 Y N 3.101 123.302 120.300 -0.165 0.000 2.342 177 Y HA 0.584 5.134 4.550 0.000 0.000 0.334 177 Y C 0.498 176.315 175.900 -0.137 0.000 1.067 177 Y CA -0.151 57.842 58.100 -0.177 0.000 1.128 177 Y CB 1.888 40.201 38.460 -0.245 0.000 1.200 177 Y HN 0.621 nan 8.280 nan 0.000 0.464 178 S N 4.484 119.718 115.700 -0.777 0.000 2.420 178 S HA 0.225 4.695 4.470 -0.000 0.000 0.313 178 S C 0.258 174.463 174.600 -0.658 0.000 1.079 178 S CA -0.393 57.527 58.200 -0.466 0.000 1.104 178 S CB 0.071 63.187 63.200 -0.140 0.000 0.969 178 S HN 0.952 nan 8.310 nan 0.000 0.471 179 H N 3.847 122.836 119.070 -0.135 0.000 2.457 179 H HA 0.048 4.604 4.556 -0.000 0.000 0.294 179 H C 1.829 177.220 175.328 0.105 0.000 1.064 179 H CA 1.412 57.542 56.048 0.137 0.000 1.330 179 H CB 0.204 30.110 29.762 0.240 0.000 1.395 179 H HN 0.445 nan 8.280 nan 0.000 0.541 180 L N 0.334 121.592 121.223 0.060 0.000 2.005 180 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 180 L C 1.078 177.836 176.870 -0.187 0.000 1.072 180 L CA 2.087 56.871 54.840 -0.094 0.000 0.744 180 L CB -0.493 41.382 42.059 -0.306 0.000 0.895 180 L HN 0.450 nan 8.230 nan 0.000 0.433 181 H N -2.548 116.519 119.070 -0.004 0.000 2.539 181 H HA -0.056 4.500 4.556 -0.000 0.000 0.267 181 H C -0.017 175.284 175.328 -0.045 0.000 0.982 181 H CA 0.310 56.343 56.048 -0.024 0.000 1.146 181 H CB -0.071 29.639 29.762 -0.086 0.000 1.382 181 H HN 0.291 nan 8.280 nan 0.000 0.577 182 Y N 1.033 121.240 120.300 -0.156 0.000 4.079 182 Y HA -0.359 4.191 4.550 -0.000 0.000 0.223 182 Y C -0.735 175.048 175.900 -0.196 0.000 1.155 182 Y CA 1.009 59.036 58.100 -0.121 0.000 1.805 182 Y CB -1.205 37.097 38.460 -0.263 0.000 1.571 182 Y HN 0.410 nan 8.280 nan 0.000 0.654 183 D N -0.964 119.150 120.400 -0.477 0.000 2.692 183 D HA 0.446 5.086 4.640 -0.000 0.000 0.303 183 D C -0.524 175.529 176.300 -0.410 0.000 1.278 183 D CA -0.275 53.535 54.000 -0.316 0.000 0.852 183 D CB 0.959 41.656 40.800 -0.173 0.000 1.375 183 D HN 0.024 nan 8.370 nan 0.000 0.453 184 I N 1.769 122.257 120.570 -0.137 0.000 2.474 184 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 184 I C 0.427 176.469 176.117 -0.125 0.000 1.048 184 I CA -0.494 60.747 61.300 -0.098 0.000 1.383 184 I CB 0.783 38.767 38.000 -0.026 0.000 1.412 184 I HN 0.281 nan 8.210 nan 0.000 0.531 185 I N 8.163 128.658 120.570 -0.126 0.000 2.517 185 I HA 0.114 4.284 4.170 -0.000 0.000 0.285 185 I C -2.007 174.058 176.117 -0.086 0.000 1.106 185 I CA -1.536 59.697 61.300 -0.111 0.000 1.402 185 I CB 0.109 38.055 38.000 -0.090 0.000 1.399 185 I HN 0.236 nan 8.210 nan 0.000 0.535 186 P HA 0.074 nan 4.420 nan 0.000 0.266 186 P C 0.783 178.053 177.300 -0.049 0.000 1.215 186 P CA 0.442 63.505 63.100 -0.062 0.000 0.763 186 P CB 0.649 32.312 31.700 -0.063 0.000 0.806 187 G N 2.364 111.141 108.800 -0.037 0.000 2.148 187 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.254 187 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.254 187 G C 0.377 175.262 174.900 -0.024 0.000 0.981 187 G CA -0.005 45.080 45.100 -0.025 0.000 0.670 187 G HN 0.853 nan 8.290 nan 0.000 0.528 188 A N -0.238 122.559 122.820 -0.039 0.000 2.309 188 A HA 0.764 5.084 4.320 -0.000 0.000 0.298 188 A C 0.149 177.707 177.584 -0.043 0.000 1.165 188 A CA -0.025 51.990 52.037 -0.037 0.000 0.821 188 A CB 0.684 19.656 19.000 -0.048 0.000 1.102 188 A HN 0.513 nan 8.150 nan 0.000 0.500 189 E N 0.907 121.092 120.200 -0.024 0.000 2.314 189 E HA 0.372 4.722 4.350 -0.000 0.000 0.272 189 E C -1.185 175.407 176.600 -0.013 0.000 0.884 189 E CA -0.605 55.782 56.400 -0.023 0.000 0.753 189 E CB 2.162 31.881 29.700 0.031 0.000 1.213 189 E HN 0.683 nan 8.360 nan 0.000 0.432 190 Q N 2.462 122.238 119.800 -0.040 0.000 2.372 190 Q HA 0.352 4.692 4.340 -0.000 0.000 0.259 190 Q C -1.256 174.767 176.000 0.039 0.000 0.993 190 Q CA -0.606 55.191 55.803 -0.011 0.000 0.854 190 Q CB 1.364 30.072 28.738 -0.049 0.000 1.231 190 Q HN 0.349 nan 8.270 nan 0.000 0.462 191 V N 4.207 124.165 119.914 0.073 0.000 2.465 191 V HA 0.361 4.481 4.120 -0.000 0.000 0.279 191 V C -0.242 175.907 176.094 0.092 0.000 1.045 191 V CA -0.572 61.788 62.300 0.100 0.000 0.938 191 V CB 1.631 33.551 31.823 0.161 0.000 0.986 191 V HN 0.539 nan 8.190 nan 0.000 0.467 192 V N 6.145 126.108 119.914 0.082 0.000 2.376 192 V HA 0.470 4.590 4.120 -0.000 0.000 0.287 192 V C -0.040 176.042 176.094 -0.021 0.000 1.015 192 V CA -0.720 61.610 62.300 0.050 0.000 0.834 192 V CB 1.490 33.383 31.823 0.117 0.000 1.001 192 V HN 0.823 nan 8.190 nan 0.000 0.428 193 R N 4.552 125.005 120.500 -0.078 0.000 2.265 193 R HA 0.390 4.730 4.340 -0.000 0.000 0.328 193 R C 0.209 176.231 176.300 -0.463 0.000 0.969 193 R CA -0.707 55.280 56.100 -0.189 0.000 0.832 193 R CB 0.667 30.820 30.300 -0.246 0.000 1.139 193 R HN 1.022 nan 8.270 nan 0.000 0.457 194 H N -0.040 119.038 119.070 0.014 0.000 1.828 194 H HA -0.126 4.430 4.556 -0.000 0.000 0.319 194 H C -2.463 172.872 175.328 0.012 0.000 0.826 194 H CA -0.554 55.495 56.048 0.002 0.000 1.059 194 H CB -1.422 28.347 29.762 0.012 0.000 1.545 194 H HN 0.339 nan 8.280 nan 0.000 0.285 195 P HA 0.107 nan 4.420 nan 0.000 0.276 195 P C 0.726 178.055 177.300 0.049 0.000 1.252 195 P CA -0.416 62.686 63.100 0.003 0.000 0.802 195 P CB 0.875 32.577 31.700 0.003 0.000 1.035 196 D N -0.288 120.146 120.400 0.056 0.000 2.301 196 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 196 D C 0.476 176.834 176.300 0.096 0.000 0.979 196 D CA 1.157 55.206 54.000 0.082 0.000 0.874 196 D CB 0.257 41.111 40.800 0.090 0.000 0.968 196 D HN 0.278 nan 8.370 nan 0.000 0.510 197 I N 1.307 121.924 120.570 0.078 0.000 2.610 197 I HA 0.139 4.309 4.170 -0.000 0.000 0.289 197 I C -1.350 174.815 176.117 0.079 0.000 1.163 197 I CA -0.642 60.722 61.300 0.107 0.000 1.044 197 I CB 3.106 41.135 38.000 0.049 0.000 1.251 197 I HN -0.194 nan 8.210 nan 0.000 0.424 198 L N 7.529 128.806 121.223 0.090 0.000 2.305 198 L HA 0.614 4.954 4.340 -0.000 0.000 0.284 198 L C -0.904 176.006 176.870 0.068 0.000 1.013 198 L CA -0.432 54.453 54.840 0.075 0.000 0.819 198 L CB 1.587 43.685 42.059 0.064 0.000 1.227 198 L HN 0.554 nan 8.230 nan 0.000 0.417 199 I N 6.139 126.747 120.570 0.062 0.000 2.312 199 I HA 0.293 4.463 4.170 -0.000 0.000 0.290 199 I C -0.243 175.901 176.117 0.044 0.000 1.008 199 I CA -0.459 60.859 61.300 0.029 0.000 1.226 199 I CB 1.797 39.817 38.000 0.032 0.000 1.371 199 I HN 0.422 nan 8.210 nan 0.000 0.468 200 L N 6.829 128.046 121.223 -0.008 0.000 2.265 200 L HA 0.399 4.739 4.340 -0.000 0.000 0.289 200 L C -0.021 176.849 176.870 -0.001 0.000 1.033 200 L CA -0.223 54.644 54.840 0.046 0.000 0.814 200 L CB 1.223 43.343 42.059 0.101 0.000 1.203 200 L HN 0.605 nan 8.230 nan 0.000 0.423 201 E N 3.552 123.781 120.200 0.048 0.000 2.176 201 E HA 0.681 5.031 4.350 -0.000 0.000 0.267 201 E C -0.965 175.669 176.600 0.057 0.000 0.893 201 E CA -0.387 56.035 56.400 0.036 0.000 0.761 201 E CB 2.229 31.956 29.700 0.046 0.000 1.133 201 E HN 0.753 nan 8.360 nan 0.000 0.409 202 G N 2.762 111.580 108.800 0.031 0.000 2.523 202 G HA2 0.206 4.166 3.960 -0.000 0.000 0.291 202 G HA3 0.206 4.166 3.960 -0.000 0.000 0.291 202 G C 0.334 175.224 174.900 -0.017 0.000 1.450 202 G CA -0.658 44.458 45.100 0.026 0.000 0.790 202 G HN 0.485 nan 8.290 nan 0.000 0.496 203 L N -0.123 121.089 121.223 -0.018 0.000 2.109 203 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 203 L C 1.920 178.733 176.870 -0.095 0.000 1.086 203 L CA 0.778 55.592 54.840 -0.044 0.000 0.760 203 L CB -0.043 42.011 42.059 -0.009 0.000 0.910 203 L HN 0.403 nan 8.230 nan 0.000 0.437 204 N N -0.300 118.279 118.700 -0.203 0.000 2.230 204 N HA 0.012 4.752 4.740 -0.000 0.000 0.202 204 N C 1.754 177.170 175.510 -0.156 0.000 1.119 204 N CA 0.526 53.442 53.050 -0.224 0.000 0.851 204 N CB 0.725 38.991 38.487 -0.369 0.000 0.990 204 N HN 0.230 nan 8.380 nan 0.000 0.497 205 V N -1.294 118.580 119.914 -0.067 0.000 2.453 205 V HA -0.174 3.946 4.120 -0.000 0.000 0.252 205 V C 1.709 177.898 176.094 0.160 0.000 1.068 205 V CA 1.425 63.781 62.300 0.092 0.000 1.070 205 V CB -0.612 31.361 31.823 0.250 0.000 0.664 205 V HN 0.052 nan 8.190 nan 0.000 0.461 206 L N 0.142 121.450 121.223 0.141 0.000 2.599 206 L HA 0.250 4.590 4.340 -0.000 0.000 0.230 206 L C 1.468 178.346 176.870 0.012 0.000 1.141 206 L CA 0.642 55.560 54.840 0.131 0.000 0.877 206 L CB -1.046 41.113 42.059 0.168 0.000 1.009 206 L HN 0.500 nan 8.230 nan 0.000 0.447 207 Q N -0.230 119.551 119.800 -0.033 0.000 2.349 207 Q HA 0.002 4.342 4.340 -0.000 0.000 0.287 207 Q C 0.104 176.057 176.000 -0.079 0.000 1.044 207 Q CA 0.749 56.518 55.803 -0.057 0.000 0.918 207 Q CB 0.673 29.365 28.738 -0.077 0.000 1.242 207 Q HN 0.140 nan 8.270 nan 0.000 0.405 208 T N 1.089 115.606 114.554 -0.061 0.000 2.930 208 T HA 0.848 5.198 4.350 -0.000 0.000 0.290 208 T C -0.485 174.184 174.700 -0.052 0.000 1.052 208 T CA 0.141 62.201 62.100 -0.067 0.000 1.017 208 T CB 1.653 70.488 68.868 -0.054 0.000 1.137 208 T HN 0.800 nan 8.240 nan 0.000 0.511 209 G N 1.680 110.449 108.800 -0.052 0.000 2.570 209 G HA2 0.489 4.449 3.960 -0.000 0.000 0.310 209 G HA3 0.489 4.449 3.960 -0.000 0.000 0.310 209 G C -2.092 172.787 174.900 -0.035 0.000 1.266 209 G CA -0.591 44.486 45.100 -0.038 0.000 0.825 209 G HN 0.548 nan 8.290 nan 0.000 0.483 210 P HA 0.123 nan 4.420 nan 0.000 0.213 210 P C 1.124 178.408 177.300 -0.027 0.000 1.170 210 P CA 1.220 64.306 63.100 -0.023 0.000 0.889 210 P CB -0.040 31.651 31.700 -0.015 0.000 0.782 211 T N -0.800 113.737 114.554 -0.028 0.000 2.847 211 T HA 0.256 4.606 4.350 -0.000 0.000 0.279 211 T C 0.146 174.818 174.700 -0.047 0.000 0.984 211 T CA -0.809 61.272 62.100 -0.032 0.000 0.988 211 T CB -0.117 68.736 68.868 -0.026 0.000 1.040 211 T HN -0.197 nan 8.240 nan 0.000 0.528 212 L N 3.037 124.230 121.223 -0.050 0.000 2.485 212 L HA 0.237 4.577 4.340 -0.000 0.000 0.275 212 L C 0.365 177.182 176.870 -0.089 0.000 1.207 212 L CA 0.413 55.212 54.840 -0.069 0.000 0.855 212 L CB 0.384 42.406 42.059 -0.061 0.000 1.114 212 L HN 0.706 nan 8.230 nan 0.000 0.485 213 M N 1.790 121.314 119.600 -0.126 0.000 2.719 213 M HA 0.191 4.671 4.480 -0.000 0.000 0.291 213 M C 0.890 177.045 176.300 -0.242 0.000 1.264 213 M CA -0.812 54.392 55.300 -0.161 0.000 0.811 213 M CB 1.865 34.371 32.600 -0.155 0.000 1.756 213 M HN 0.202 nan 8.290 nan 0.000 0.464 214 V N 0.716 120.461 119.914 -0.282 0.000 2.380 214 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 214 V C 2.395 177.976 176.094 -0.854 0.000 1.063 214 V CA 2.828 64.885 62.300 -0.404 0.000 1.055 214 V CB -0.603 31.044 31.823 -0.294 0.000 0.657 214 V HN 1.070 nan 8.190 nan 0.000 0.455 215 S N -0.609 114.599 115.700 -0.821 0.000 2.400 215 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 215 S C 1.578 175.793 174.600 -0.641 0.000 1.025 215 S CA 1.607 59.195 58.200 -1.019 0.000 0.993 215 S CB -0.509 62.445 63.200 -0.410 0.000 0.808 215 S HN 0.663 nan 8.310 nan 0.000 0.478 216 D N 0.778 120.944 120.400 -0.389 0.000 2.348 216 D HA 0.066 4.706 4.640 -0.000 0.000 0.216 216 D C 1.057 177.254 176.300 -0.173 0.000 0.970 216 D CA 0.466 54.338 54.000 -0.214 0.000 0.889 216 D CB 0.002 40.713 40.800 -0.148 0.000 0.912 216 D HN 0.338 nan 8.370 nan 0.000 0.524 217 L N -0.277 120.794 121.223 -0.253 0.000 2.640 217 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 217 L C 0.532 177.432 176.870 0.049 0.000 1.123 217 L CA 0.015 54.797 54.840 -0.096 0.000 0.900 217 L CB -0.331 41.672 42.059 -0.094 0.000 1.146 217 L HN -0.104 nan 8.230 nan 0.000 0.484 218 F N 0.273 120.185 119.950 -0.062 0.000 2.450 218 F HA 0.022 4.549 4.527 -0.000 0.000 0.339 218 F C 1.350 177.070 175.800 -0.133 0.000 1.146 218 F CA -0.381 57.565 58.000 -0.091 0.000 1.267 218 F CB 0.850 39.814 39.000 -0.061 0.000 1.178 218 F HN 0.068 nan 8.300 nan 0.000 0.585 219 D N 1.358 121.712 120.400 -0.076 0.000 2.417 219 D HA 0.090 4.730 4.640 -0.000 0.000 0.207 219 D C -0.575 175.679 176.300 -0.076 0.000 1.075 219 D CA 0.695 54.522 54.000 -0.289 0.000 0.851 219 D CB 0.965 41.148 40.800 -1.029 0.000 0.976 219 D HN 0.254 nan 8.370 nan 0.000 0.505 220 F N 0.972 120.824 119.950 -0.163 0.000 2.672 220 F HA 0.247 4.774 4.527 -0.000 0.000 0.311 220 F C -1.546 174.230 175.800 -0.041 0.000 1.113 220 F CA -0.776 57.229 58.000 0.008 0.000 0.996 220 F CB 1.603 40.712 39.000 0.183 0.000 1.286 220 F HN -0.239 nan 8.300 nan 0.000 0.441 221 S N 4.796 120.273 115.700 -0.372 0.000 2.548 221 S HA 0.864 5.334 4.470 -0.000 0.000 0.276 221 S C -2.031 172.467 174.600 -0.171 0.000 1.129 221 S CA -0.775 57.318 58.200 -0.179 0.000 0.931 221 S CB 2.027 65.203 63.200 -0.039 0.000 1.068 221 S HN 0.540 nan 8.310 nan 0.000 0.480 222 L N 2.820 124.035 121.223 -0.013 0.000 2.329 222 L HA 0.560 4.900 4.340 -0.000 0.000 0.279 222 L C -0.985 175.917 176.870 0.055 0.000 1.014 222 L CA -0.533 54.328 54.840 0.035 0.000 0.814 222 L CB 1.231 43.334 42.059 0.074 0.000 1.257 222 L HN 0.869 nan 8.230 nan 0.000 0.424 223 Y N 2.998 123.269 120.300 -0.047 0.000 2.338 223 Y HA 0.589 5.139 4.550 0.000 0.000 0.328 223 Y C -0.658 175.226 175.900 -0.027 0.000 0.965 223 Y CA -0.937 57.143 58.100 -0.033 0.000 1.208 223 Y CB 1.395 39.826 38.460 -0.048 0.000 1.132 223 Y HN 0.298 nan 8.280 nan 0.000 0.469 224 V N 6.224 125.983 119.914 -0.258 0.000 2.389 224 V HA 0.144 4.264 4.120 -0.000 0.000 0.264 224 V C -0.257 175.784 176.094 -0.088 0.000 1.049 224 V CA -0.110 62.131 62.300 -0.098 0.000 0.932 224 V CB 0.610 32.398 31.823 -0.060 0.000 1.011 224 V HN 0.705 nan 8.190 nan 0.000 0.475 225 D N 3.604 124.083 120.400 0.132 0.000 2.269 225 D HA 0.838 5.478 4.640 -0.000 0.000 0.244 225 D C -0.262 176.112 176.300 0.124 0.000 0.992 225 D CA 0.041 54.170 54.000 0.215 0.000 0.894 225 D CB 2.124 43.109 40.800 0.308 0.000 1.248 225 D HN 0.770 nan 8.370 nan 0.000 0.468 226 A N 2.142 125.006 122.820 0.074 0.000 2.581 226 A HA 0.601 4.921 4.320 -0.000 0.000 0.290 226 A C -0.833 176.694 177.584 -0.096 0.000 1.119 226 A CA -0.774 51.247 52.037 -0.028 0.000 0.670 226 A CB 1.107 20.031 19.000 -0.127 0.000 1.280 226 A HN 0.518 nan 8.150 nan 0.000 0.425 227 R N 0.432 120.830 120.500 -0.170 0.000 2.489 227 R HA 0.176 4.516 4.340 -0.000 0.000 0.287 227 R C 1.148 177.338 176.300 -0.184 0.000 1.053 227 R CA 0.027 56.038 56.100 -0.149 0.000 1.036 227 R CB 0.392 30.601 30.300 -0.152 0.000 0.966 227 R HN 0.710 nan 8.270 nan 0.000 0.432 228 I N 2.915 123.439 120.570 -0.077 0.000 2.315 228 I HA -0.328 3.842 4.170 -0.000 0.000 0.251 228 I C 1.044 177.132 176.117 -0.048 0.000 1.125 228 I CA 1.799 63.099 61.300 0.000 0.000 1.392 228 I CB 0.217 38.252 38.000 0.059 0.000 1.065 228 I HN 0.677 nan 8.210 nan 0.000 0.424 229 E N 0.470 120.603 120.200 -0.111 0.000 2.208 229 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 229 E C 1.670 178.082 176.600 -0.313 0.000 0.988 229 E CA 1.135 57.444 56.400 -0.152 0.000 0.828 229 E CB -0.079 29.558 29.700 -0.104 0.000 0.763 229 E HN 0.507 nan 8.360 nan 0.000 0.478 230 D N 0.164 120.300 120.400 -0.440 0.000 2.194 230 D HA -0.038 4.602 4.640 -0.000 0.000 0.204 230 D C 1.856 177.404 176.300 -1.252 0.000 0.964 230 D CA 0.678 54.218 54.000 -0.766 0.000 0.846 230 D CB 0.044 40.346 40.800 -0.831 0.000 0.962 230 D HN 0.224 nan 8.370 nan 0.000 0.490 231 I N 0.957 120.959 120.570 -0.945 0.000 2.286 231 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 231 I C 2.455 178.126 176.117 -0.743 0.000 1.104 231 I CA 0.826 61.671 61.300 -0.759 0.000 1.397 231 I CB -0.263 37.569 38.000 -0.280 0.000 1.072 231 I HN -0.032 nan 8.210 nan 0.000 0.417 232 E N 0.939 120.586 120.200 -0.922 0.000 2.130 232 E HA -0.287 4.063 4.350 -0.000 0.000 0.196 232 E C 2.259 178.489 176.600 -0.617 0.000 0.998 232 E CA 1.272 56.888 56.400 -1.307 0.000 0.806 232 E CB 0.066 29.186 29.700 -0.967 0.000 0.738 232 E HN 0.393 nan 8.360 nan 0.000 0.459 233 Q N -0.279 119.267 119.800 -0.423 0.000 2.046 233 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 233 Q C 1.892 177.922 176.000 0.051 0.000 0.975 233 Q CA 1.289 56.989 55.803 -0.172 0.000 0.836 233 Q CB -0.325 28.330 28.738 -0.138 0.000 0.896 233 Q HN 0.503 nan 8.270 nan 0.000 0.428 234 W N -0.132 121.102 121.300 -0.110 0.000 2.358 234 W HA -0.196 4.464 4.660 -0.000 0.000 0.303 234 W C 2.207 178.717 176.519 -0.016 0.000 1.208 234 W CA 0.536 57.874 57.345 -0.012 0.000 1.274 234 W CB -1.624 27.848 29.460 0.021 0.000 1.138 234 W HN 0.272 nan 8.180 nan 0.000 0.515 235 Y N 0.950 121.257 120.300 0.012 0.000 2.070 235 Y HA -0.279 4.271 4.550 0.000 0.000 0.280 235 Y C 2.475 178.383 175.900 0.015 0.000 1.148 235 Y CA 2.577 60.659 58.100 -0.029 0.000 1.125 235 Y CB -0.834 37.469 38.460 -0.261 0.000 0.975 235 Y HN -0.265 nan 8.280 nan 0.000 0.492 236 V N -0.673 119.235 119.914 -0.010 0.000 2.332 236 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 236 V C 2.528 178.612 176.094 -0.016 0.000 1.055 236 V CA 2.125 64.391 62.300 -0.057 0.000 1.038 236 V CB -1.057 30.735 31.823 -0.052 0.000 0.651 236 V HN 0.417 nan 8.190 nan 0.000 0.450 237 S N -0.913 114.798 115.700 0.018 0.000 2.353 237 S HA -0.256 4.214 4.470 -0.000 0.000 0.222 237 S C 2.158 176.751 174.600 -0.012 0.000 1.035 237 S CA 1.979 60.197 58.200 0.029 0.000 1.025 237 S CB -0.366 62.878 63.200 0.074 0.000 0.902 237 S HN 0.513 nan 8.310 nan 0.000 0.440 238 R N -0.337 120.139 120.500 -0.039 0.000 2.091 238 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 238 R C 2.129 178.325 176.300 -0.173 0.000 1.136 238 R CA 1.649 57.681 56.100 -0.113 0.000 0.959 238 R CB -0.470 29.765 30.300 -0.109 0.000 0.856 238 R HN 0.454 nan 8.270 nan 0.000 0.437 239 F N 0.790 120.540 119.950 -0.333 0.000 2.065 239 F HA -0.277 4.250 4.527 0.000 0.000 0.298 239 F C 1.836 177.522 175.800 -0.190 0.000 1.112 239 F CA 1.451 59.272 58.000 -0.299 0.000 1.212 239 F CB -0.254 38.540 39.000 -0.343 0.000 0.975 239 F HN 0.028 nan 8.300 nan 0.000 0.476 240 L N 0.365 121.702 121.223 0.190 0.000 2.079 240 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 240 L C 2.559 179.404 176.870 -0.042 0.000 1.081 240 L CA 1.887 56.801 54.840 0.123 0.000 0.752 240 L CB -1.304 40.814 42.059 0.099 0.000 0.896 240 L HN 0.254 nan 8.230 nan 0.000 0.433 241 A N -1.869 120.882 122.820 -0.116 0.000 2.119 241 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 241 A C 2.150 179.563 177.584 -0.284 0.000 1.152 241 A CA 0.851 52.792 52.037 -0.160 0.000 0.708 241 A CB -0.453 18.462 19.000 -0.143 0.000 0.805 241 A HN 0.379 nan 8.150 nan 0.000 0.460 242 M N -1.071 118.226 119.600 -0.505 0.000 2.618 242 M HA 0.031 4.511 4.480 -0.000 0.000 0.240 242 M C 1.746 177.554 176.300 -0.820 0.000 1.123 242 M CA 0.399 55.185 55.300 -0.857 0.000 1.060 242 M CB -0.076 31.613 32.600 -1.518 0.000 1.535 242 M HN 0.350 nan 8.290 nan 0.000 0.507 243 R N -0.192 120.089 120.500 -0.365 0.000 2.148 243 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 243 R C 2.033 178.322 176.300 -0.020 0.000 1.088 243 R CA 1.755 57.835 56.100 -0.034 0.000 0.985 243 R CB -0.265 30.072 30.300 0.061 0.000 0.880 243 R HN 0.380 nan 8.270 nan 0.000 0.451 244 T N -3.585 110.918 114.554 -0.085 0.000 3.054 244 T HA 0.133 4.483 4.350 -0.000 0.000 0.255 244 T C 1.188 175.843 174.700 -0.075 0.000 1.035 244 T CA 0.424 62.495 62.100 -0.048 0.000 0.941 244 T CB 0.428 69.272 68.868 -0.040 0.000 1.026 244 T HN 0.233 nan 8.240 nan 0.000 0.533 245 T N -0.671 113.798 114.554 -0.141 0.000 3.257 245 T HA 0.618 4.968 4.350 -0.000 0.000 0.176 245 T C 2.210 176.835 174.700 -0.125 0.000 0.892 245 T CA 0.473 62.490 62.100 -0.138 0.000 1.147 245 T CB -0.596 68.164 68.868 -0.179 0.000 1.840 245 T HN 0.151 nan 8.240 nan 0.000 0.375 246 A N 1.026 123.723 122.820 -0.204 0.000 1.873 246 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 246 A C 2.085 179.718 177.584 0.081 0.000 1.186 246 A CA 1.421 53.397 52.037 -0.102 0.000 0.616 246 A CB -1.284 17.634 19.000 -0.137 0.000 0.823 246 A HN 0.511 nan 8.150 nan 0.000 0.442 247 F N 0.346 120.267 119.950 -0.048 0.000 2.333 247 F HA -0.007 4.520 4.527 -0.000 0.000 0.300 247 F C 2.688 178.557 175.800 0.114 0.000 1.083 247 F CA 0.030 58.031 58.000 0.001 0.000 1.395 247 F CB -1.274 37.683 39.000 -0.072 0.000 1.056 247 F HN 0.282 nan 8.300 nan 0.000 0.529 248 A N -0.852 122.095 122.820 0.211 0.000 1.969 248 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 248 A C 1.193 178.801 177.584 0.040 0.000 1.169 248 A CA 0.821 52.962 52.037 0.174 0.000 0.635 248 A CB -0.708 18.334 19.000 0.070 0.000 0.810 248 A HN 0.200 nan 8.150 nan 0.000 0.445 249 D N -0.532 119.839 120.400 -0.048 0.000 2.425 249 D HA 0.141 4.781 4.640 -0.000 0.000 0.247 249 D C -1.765 174.268 176.300 -0.444 0.000 1.147 249 D CA -1.657 52.244 54.000 -0.165 0.000 0.879 249 D CB 1.171 41.907 40.800 -0.106 0.000 1.179 249 D HN -0.010 nan 8.370 nan 0.000 0.456 250 P HA -0.075 nan 4.420 nan 0.000 0.220 250 P C 0.595 177.697 177.300 -0.329 0.000 1.148 250 P CA 0.963 63.687 63.100 -0.627 0.000 0.803 250 P CB 0.280 31.823 31.700 -0.262 0.000 0.782 251 E N -0.777 119.311 120.200 -0.187 0.000 2.511 251 E HA 0.011 4.361 4.350 -0.000 0.000 0.196 251 E C 0.539 177.074 176.600 -0.110 0.000 1.066 251 E CA -0.004 56.354 56.400 -0.071 0.000 0.871 251 E CB -0.096 29.610 29.700 0.011 0.000 0.863 251 E HN 0.107 nan 8.360 nan 0.000 0.520 252 S N -0.065 115.552 115.700 -0.139 0.000 2.533 252 S HA -0.051 4.419 4.470 -0.000 0.000 0.282 252 S C 0.887 175.445 174.600 -0.069 0.000 1.304 252 S CA -0.296 57.870 58.200 -0.057 0.000 1.063 252 S CB 0.739 63.976 63.200 0.061 0.000 0.881 252 S HN 0.283 nan 8.310 nan 0.000 0.493 253 H N 3.971 122.914 119.070 -0.212 0.000 2.456 253 H HA 0.032 4.588 4.556 -0.000 0.000 0.296 253 H C 0.240 175.111 175.328 -0.761 0.000 1.079 253 H CA 1.867 57.645 56.048 -0.451 0.000 1.322 253 H CB -0.026 29.375 29.762 -0.602 0.000 1.388 253 H HN 0.683 nan 8.280 nan 0.000 0.538 254 F N -0.770 118.949 119.950 -0.384 0.000 2.983 254 F HA 0.163 4.690 4.527 0.000 0.000 0.307 254 F C 1.372 176.549 175.800 -1.038 0.000 1.218 254 F CA -0.255 57.101 58.000 -1.073 0.000 1.323 254 F CB 0.017 38.313 39.000 -1.174 0.000 0.989 254 F HN 0.223 nan 8.300 nan 0.000 0.509 255 H N 0.397 119.139 119.070 -0.545 0.000 2.456 255 H HA -0.177 4.379 4.556 -0.000 0.000 0.296 255 H C 2.055 177.204 175.328 -0.298 0.000 1.079 255 H CA 2.196 58.078 56.048 -0.278 0.000 1.322 255 H CB -0.200 29.486 29.762 -0.126 0.000 1.388 255 H HN 0.529 nan 8.280 nan 0.000 0.538 256 H N -2.935 115.934 119.070 -0.336 0.000 2.518 256 H HA -0.085 4.471 4.556 -0.000 0.000 0.289 256 H C 1.614 176.817 175.328 -0.207 0.000 1.051 256 H CA 1.354 57.234 56.048 -0.280 0.000 1.280 256 H CB -0.944 28.670 29.762 -0.247 0.000 1.380 256 H HN 0.455 nan 8.280 nan 0.000 0.566 257 Y N 0.514 120.372 120.300 -0.736 0.000 2.457 257 Y HA 0.068 4.618 4.550 0.000 0.000 0.292 257 Y C 2.758 178.466 175.900 -0.320 0.000 1.125 257 Y CA -0.161 57.387 58.100 -0.920 0.000 1.254 257 Y CB 0.090 37.819 38.460 -1.217 0.000 1.012 257 Y HN 0.441 nan 8.280 nan 0.000 0.555 258 A N 0.567 123.398 122.820 0.017 0.000 1.940 258 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 258 A C 2.298 179.972 177.584 0.150 0.000 1.176 258 A CA 1.796 53.920 52.037 0.145 0.000 0.631 258 A CB -0.836 18.244 19.000 0.133 0.000 0.814 258 A HN 0.401 nan 8.150 nan 0.000 0.446 259 A N -1.475 121.442 122.820 0.162 0.000 2.167 259 A HA 0.369 4.689 4.320 -0.000 0.000 0.214 259 A C 0.501 178.294 177.584 0.349 0.000 1.151 259 A CA -0.235 51.927 52.037 0.208 0.000 0.735 259 A CB -0.418 18.672 19.000 0.150 0.000 0.802 259 A HN 0.291 nan 8.150 nan 0.000 0.467 260 F N 1.537 121.566 119.950 0.131 0.000 2.589 260 F HA 0.200 4.727 4.527 -0.000 0.000 0.352 260 F C 1.481 177.345 175.800 0.107 0.000 1.168 260 F CA -0.226 57.858 58.000 0.140 0.000 1.353 260 F CB 0.365 39.487 39.000 0.203 0.000 1.116 260 F HN 0.201 nan 8.300 nan 0.000 0.608 261 S N 0.476 116.304 115.700 0.213 0.000 2.672 261 S HA 0.242 4.712 4.470 -0.000 0.000 0.276 261 S C 0.620 175.310 174.600 0.150 0.000 1.207 261 S CA -0.762 57.518 58.200 0.133 0.000 1.002 261 S CB 1.166 64.399 63.200 0.055 0.000 0.998 261 S HN 0.519 nan 8.310 nan 0.000 0.542 262 D N 1.418 121.883 120.400 0.108 0.000 2.149 262 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 262 D C 1.949 178.300 176.300 0.085 0.000 1.001 262 D CA 1.901 55.959 54.000 0.096 0.000 0.849 262 D CB -0.389 40.447 40.800 0.061 0.000 0.939 262 D HN 0.481 nan 8.370 nan 0.000 0.449 263 S N -0.452 115.284 115.700 0.060 0.000 2.344 263 S HA -0.199 4.271 4.470 -0.000 0.000 0.217 263 S C 1.891 176.517 174.600 0.043 0.000 1.033 263 S CA 1.275 59.497 58.200 0.037 0.000 1.017 263 S CB -0.185 63.024 63.200 0.015 0.000 0.941 263 S HN 0.298 nan 8.310 nan 0.000 0.430 264 Q N 0.620 120.443 119.800 0.039 0.000 2.061 264 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 264 Q C 2.471 178.601 176.000 0.215 0.000 0.984 264 Q CA 1.524 57.343 55.803 0.026 0.000 0.846 264 Q CB -0.446 28.160 28.738 -0.219 0.000 0.902 264 Q HN 0.617 nan 8.270 nan 0.000 0.421 265 A N 0.744 123.770 122.820 0.343 0.000 1.873 265 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 265 A C 2.413 179.975 177.584 -0.037 0.000 1.193 265 A CA 1.846 54.075 52.037 0.321 0.000 0.629 265 A CB -1.008 18.224 19.000 0.387 0.000 0.826 265 A HN 0.235 nan 8.150 nan 0.000 0.447 266 V N -0.446 119.468 119.914 0.001 0.000 2.392 266 V HA -0.242 3.878 4.120 -0.000 0.000 0.249 266 V C 2.547 178.588 176.094 -0.089 0.000 1.059 266 V CA 1.944 64.204 62.300 -0.067 0.000 1.051 266 V CB -0.796 31.018 31.823 -0.015 0.000 0.658 266 V HN 0.389 nan 8.190 nan 0.000 0.455 267 V N 0.182 120.074 119.914 -0.037 0.000 2.244 267 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 267 V C 2.732 178.796 176.094 -0.049 0.000 1.042 267 V CA 2.059 64.348 62.300 -0.020 0.000 1.006 267 V CB -1.152 30.678 31.823 0.013 0.000 0.641 267 V HN 0.552 nan 8.190 nan 0.000 0.446 268 A N 0.081 122.865 122.820 -0.060 0.000 1.892 268 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 268 A C 2.432 179.801 177.584 -0.358 0.000 1.188 268 A CA 2.552 54.514 52.037 -0.125 0.000 0.631 268 A CB -0.997 17.953 19.000 -0.084 0.000 0.822 268 A HN 0.614 nan 8.150 nan 0.000 0.447 269 A N -0.560 121.817 122.820 -0.739 0.000 1.908 269 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 269 A C 2.272 179.833 177.584 -0.040 0.000 1.181 269 A CA 1.624 53.250 52.037 -0.685 0.000 0.627 269 A CB -0.500 17.995 19.000 -0.842 0.000 0.818 269 A HN 0.543 nan 8.150 nan 0.000 0.445 270 R N -1.006 119.471 120.500 -0.038 0.000 2.115 270 R HA -0.125 4.215 4.340 -0.000 0.000 0.230 270 R C 2.209 178.591 176.300 0.137 0.000 1.111 270 R CA 1.391 57.545 56.100 0.091 0.000 0.976 270 R CB -0.205 30.120 30.300 0.042 0.000 0.870 270 R HN 0.655 nan 8.270 nan 0.000 0.445 271 E N 1.412 121.657 120.200 0.074 0.000 2.017 271 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 271 E C 1.791 178.461 176.600 0.116 0.000 0.997 271 E CA 1.350 57.803 56.400 0.088 0.000 0.804 271 E CB -0.238 29.507 29.700 0.076 0.000 0.757 271 E HN 0.233 nan 8.360 nan 0.000 0.448 272 I N 0.349 121.001 120.570 0.136 0.000 2.335 272 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 272 I C 2.345 178.535 176.117 0.122 0.000 1.129 272 I CA 1.128 62.531 61.300 0.171 0.000 1.402 272 I CB -0.505 37.646 38.000 0.252 0.000 1.069 272 I HN 0.385 nan 8.210 nan 0.000 0.424 273 W N 3.436 124.691 121.300 -0.074 0.000 2.380 273 W HA -0.226 4.433 4.660 -0.000 0.000 0.317 273 W C 2.738 179.194 176.519 -0.105 0.000 1.196 273 W CA 1.793 59.006 57.345 -0.219 0.000 1.307 273 W CB -0.222 29.102 29.460 -0.227 0.000 1.157 273 W HN 0.135 nan 8.180 nan 0.000 0.483 274 R N -0.143 120.333 120.500 -0.041 0.000 2.237 274 R HA -0.039 4.301 4.340 -0.000 0.000 0.219 274 R C 1.789 178.027 176.300 -0.103 0.000 1.080 274 R CA 1.910 57.936 56.100 -0.123 0.000 0.995 274 R CB -0.861 29.469 30.300 0.049 0.000 0.875 274 R HN -0.086 nan 8.270 nan 0.000 0.462 275 T N 0.233 114.763 114.554 -0.041 0.000 2.983 275 T HA 0.258 4.608 4.350 -0.000 0.000 0.250 275 T C 1.615 176.346 174.700 0.052 0.000 1.037 275 T CA 0.899 63.011 62.100 0.020 0.000 1.142 275 T CB 0.110 69.020 68.868 0.070 0.000 0.876 275 T HN 0.174 nan 8.240 nan 0.000 0.455 276 I N 0.024 120.610 120.570 0.027 0.000 3.518 276 I HA 0.127 4.297 4.170 -0.000 0.000 0.260 276 I C 1.997 178.097 176.117 -0.027 0.000 1.148 276 I CA 0.026 61.412 61.300 0.143 0.000 1.440 276 I CB 0.031 38.151 38.000 0.200 0.000 1.485 276 I HN -0.041 nan 8.210 nan 0.000 0.456 277 N N 1.517 120.056 118.700 -0.270 0.000 2.142 277 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 277 N C 1.863 176.848 175.510 -0.875 0.000 1.023 277 N CA 1.257 53.985 53.050 -0.537 0.000 0.852 277 N CB -0.317 37.829 38.487 -0.568 0.000 0.998 277 N HN 0.276 nan 8.380 nan 0.000 0.424 278 R N 1.050 120.835 120.500 -1.192 0.000 2.062 278 R HA -0.053 4.287 4.340 -0.000 0.000 0.231 278 R C -0.731 175.290 176.300 -0.465 0.000 1.136 278 R CA 1.225 56.714 56.100 -1.019 0.000 0.948 278 R CB -0.851 28.871 30.300 -0.964 0.000 0.845 278 R HN 0.135 nan 8.270 nan 0.000 0.430 279 P HA -0.141 nan 4.420 nan 0.000 0.215 279 P C 0.443 177.647 177.300 -0.159 0.000 1.157 279 P CA 1.443 64.485 63.100 -0.096 0.000 0.868 279 P CB -0.166 31.594 31.700 0.100 0.000 0.788 280 N N -0.686 117.780 118.700 -0.390 0.000 2.104 280 N HA -0.147 4.593 4.740 -0.000 0.000 0.190 280 N C 1.672 176.943 175.510 -0.398 0.000 1.024 280 N CA 1.016 53.617 53.050 -0.749 0.000 0.853 280 N CB -1.031 36.721 38.487 -1.225 0.000 1.008 280 N HN -0.003 nan 8.380 nan 0.000 0.424 281 L N -0.089 120.936 121.223 -0.329 0.000 1.976 281 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 281 L C 1.925 178.725 176.870 -0.117 0.000 1.071 281 L CA 1.444 56.169 54.840 -0.192 0.000 0.746 281 L CB -0.634 41.308 42.059 -0.194 0.000 0.890 281 L HN 0.059 nan 8.230 nan 0.000 0.432 282 V N 0.351 120.190 119.914 -0.124 0.000 2.233 282 V HA -0.327 3.793 4.120 -0.000 0.000 0.247 282 V C 2.441 178.502 176.094 -0.055 0.000 1.050 282 V CA 2.257 64.514 62.300 -0.072 0.000 1.010 282 V CB -0.636 31.146 31.823 -0.068 0.000 0.637 282 V HN 0.487 nan 8.190 nan 0.000 0.444 283 E N 0.081 120.246 120.200 -0.058 0.000 2.051 283 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 283 E C 1.938 178.520 176.600 -0.030 0.000 0.991 283 E CA 1.568 57.954 56.400 -0.023 0.000 0.799 283 E CB -0.087 29.630 29.700 0.028 0.000 0.748 283 E HN 0.636 nan 8.360 nan 0.000 0.449 284 N N -0.549 118.109 118.700 -0.070 0.000 2.460 284 N HA 0.102 4.842 4.740 -0.000 0.000 0.193 284 N C 1.869 177.354 175.510 -0.041 0.000 1.080 284 N CA 0.349 53.365 53.050 -0.057 0.000 0.869 284 N CB 0.499 38.936 38.487 -0.082 0.000 1.201 284 N HN 0.113 nan 8.380 nan 0.000 0.457 285 I N 0.780 121.324 120.570 -0.043 0.000 2.296 285 I HA -0.098 4.072 4.170 -0.000 0.000 0.242 285 I C 2.108 178.300 176.117 0.124 0.000 1.087 285 I CA 0.455 61.781 61.300 0.042 0.000 1.393 285 I CB -0.098 37.916 38.000 0.024 0.000 1.093 285 I HN -0.042 nan 8.210 nan 0.000 0.421 286 L N 2.093 123.358 121.223 0.069 0.000 2.042 286 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 286 L C -0.512 176.313 176.870 -0.076 0.000 1.076 286 L CA 2.370 57.221 54.840 0.018 0.000 0.749 286 L CB -1.943 40.114 42.059 -0.004 0.000 0.893 286 L HN 0.079 nan 8.230 nan 0.000 0.432 287 P HA -0.087 nan 4.420 nan 0.000 0.229 287 P C 1.362 178.623 177.300 -0.065 0.000 1.150 287 P CA 1.128 64.194 63.100 -0.057 0.000 0.765 287 P CB -0.048 31.631 31.700 -0.034 0.000 0.783 288 T N -2.055 112.464 114.554 -0.059 0.000 3.044 288 T HA 0.074 4.424 4.350 -0.000 0.000 0.250 288 T C 1.750 176.370 174.700 -0.133 0.000 1.081 288 T CA -0.009 62.067 62.100 -0.040 0.000 1.040 288 T CB -0.264 68.636 68.868 0.052 0.000 0.962 288 T HN -0.013 nan 8.240 nan 0.000 0.506 289 R N 1.349 121.620 120.500 -0.381 0.000 2.083 289 R HA -0.086 4.254 4.340 -0.000 0.000 0.237 289 R C -0.927 175.162 176.300 -0.351 0.000 1.137 289 R CA 1.723 57.396 56.100 -0.713 0.000 0.951 289 R CB -0.923 28.783 30.300 -0.991 0.000 0.851 289 R HN 0.282 nan 8.270 nan 0.000 0.434 290 P HA -0.175 nan 4.420 nan 0.000 0.217 290 P C 0.496 177.819 177.300 0.039 0.000 1.148 290 P CA 1.556 64.615 63.100 -0.069 0.000 0.834 290 P CB -0.047 31.646 31.700 -0.012 0.000 0.783 291 R N -1.269 119.226 120.500 -0.008 0.000 2.276 291 R HA 0.266 4.606 4.340 -0.000 0.000 0.196 291 R C 0.804 177.116 176.300 0.021 0.000 0.961 291 R CA -0.157 55.958 56.100 0.025 0.000 1.024 291 R CB -0.073 30.232 30.300 0.008 0.000 0.940 291 R HN 0.124 nan 8.270 nan 0.000 0.480 292 A N 0.420 123.237 122.820 -0.004 0.000 2.462 292 A HA 0.086 4.406 4.320 -0.000 0.000 0.243 292 A C 1.036 178.581 177.584 -0.065 0.000 1.076 292 A CA -0.033 51.997 52.037 -0.012 0.000 0.773 292 A CB 0.517 19.542 19.000 0.042 0.000 1.010 292 A HN 0.147 nan 8.150 nan 0.000 0.493 293 T N 1.565 115.995 114.554 -0.206 0.000 2.737 293 T HA 0.020 4.370 4.350 -0.000 0.000 0.265 293 T C 0.691 175.261 174.700 -0.217 0.000 1.038 293 T CA 1.074 62.980 62.100 -0.324 0.000 1.144 293 T CB -0.183 68.138 68.868 -0.912 0.000 0.866 293 T HN 0.435 nan 8.240 nan 0.000 0.434 294 L N 1.567 122.651 121.223 -0.231 0.000 2.385 294 L HA 0.555 4.895 4.340 -0.000 0.000 0.273 294 L C -1.614 175.229 176.870 -0.046 0.000 0.990 294 L CA -0.767 54.029 54.840 -0.074 0.000 0.821 294 L CB 2.193 44.273 42.059 0.036 0.000 1.279 294 L HN -0.079 nan 8.230 nan 0.000 0.412 295 V N 5.549 125.427 119.914 -0.060 0.000 2.378 295 V HA 0.312 4.432 4.120 -0.000 0.000 0.288 295 V C -0.368 175.684 176.094 -0.070 0.000 1.016 295 V CA -0.571 61.718 62.300 -0.019 0.000 0.840 295 V CB 1.706 33.487 31.823 -0.070 0.000 0.994 295 V HN 0.432 nan 8.190 nan 0.000 0.431 296 L N 6.171 127.364 121.223 -0.049 0.000 2.268 296 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 296 L C 0.466 177.325 176.870 -0.018 0.000 1.064 296 L CA 0.074 54.851 54.840 -0.105 0.000 0.824 296 L CB 0.603 42.582 42.059 -0.133 0.000 1.202 296 L HN 0.404 nan 8.230 nan 0.000 0.433 297 R N 3.899 124.383 120.500 -0.027 0.000 2.216 297 R HA 0.299 4.639 4.340 -0.000 0.000 0.332 297 R C -0.342 175.983 176.300 0.041 0.000 1.056 297 R CA -0.264 55.847 56.100 0.018 0.000 0.901 297 R CB 0.472 30.770 30.300 -0.003 0.000 1.039 297 R HN 0.498 nan 8.270 nan 0.000 0.456 298 K N 2.076 122.535 120.400 0.098 0.000 2.098 298 K HA 0.245 4.565 4.320 -0.000 0.000 0.261 298 K C -0.251 176.446 176.600 0.161 0.000 0.987 298 K CA -0.650 55.732 56.287 0.158 0.000 0.916 298 K CB 1.264 33.940 32.500 0.294 0.000 1.039 298 K HN 0.467 nan 8.250 nan 0.000 0.455 299 D N 0.152 120.650 120.400 0.163 0.000 2.332 299 D HA 0.150 4.790 4.640 -0.000 0.000 0.252 299 D C 0.929 177.369 176.300 0.234 0.000 1.050 299 D CA -0.140 53.943 54.000 0.138 0.000 0.970 299 D CB 1.752 42.610 40.800 0.096 0.000 1.141 299 D HN 0.582 nan 8.370 nan 0.000 0.485 300 A N 1.280 124.199 122.820 0.164 0.000 2.009 300 A HA -0.225 4.095 4.320 -0.000 0.000 0.222 300 A C 1.303 179.077 177.584 0.316 0.000 1.175 300 A CA 1.954 54.124 52.037 0.222 0.000 0.651 300 A CB -0.373 18.685 19.000 0.098 0.000 0.815 300 A HN 0.659 nan 8.150 nan 0.000 0.459 301 D N -3.261 117.259 120.400 0.200 0.000 2.328 301 D HA -0.061 4.579 4.640 -0.000 0.000 0.226 301 D C 0.368 176.768 176.300 0.166 0.000 1.066 301 D CA 0.611 54.711 54.000 0.168 0.000 0.861 301 D CB -0.615 40.252 40.800 0.111 0.000 0.912 301 D HN 0.658 nan 8.370 nan 0.000 0.521 302 H N -1.348 117.738 119.070 0.026 0.000 3.636 302 H HA -0.170 4.386 4.556 0.000 0.000 0.179 302 H C -0.079 175.218 175.328 -0.051 0.000 0.968 302 H CA 0.895 56.812 56.048 -0.217 0.000 1.220 302 H CB -1.718 27.775 29.762 -0.449 0.000 1.023 302 H HN 0.257 nan 8.280 nan 0.000 0.366 303 S N 0.549 116.316 115.700 0.112 0.000 2.545 303 S HA 0.440 4.910 4.470 -0.000 0.000 0.275 303 S C 0.626 175.279 174.600 0.089 0.000 1.299 303 S CA -0.620 57.635 58.200 0.092 0.000 1.048 303 S CB 0.423 63.671 63.200 0.079 0.000 0.938 303 S HN 0.286 nan 8.310 nan 0.000 0.496 304 I N 5.616 126.231 120.570 0.076 0.000 2.308 304 I HA 0.218 4.388 4.170 -0.000 0.000 0.293 304 I C 0.550 176.682 176.117 0.025 0.000 1.078 304 I CA -0.317 61.006 61.300 0.038 0.000 1.292 304 I CB 0.520 38.520 38.000 0.000 0.000 1.423 304 I HN 0.658 nan 8.210 nan 0.000 0.493 305 N N 5.827 124.542 118.700 0.025 0.000 2.197 305 N HA 0.208 4.948 4.740 -0.000 0.000 0.201 305 N C 0.063 175.588 175.510 0.025 0.000 1.148 305 N CA 0.108 53.178 53.050 0.033 0.000 0.883 305 N CB 0.787 39.301 38.487 0.046 0.000 1.012 305 N HN 0.514 nan 8.380 nan 0.000 0.507 306 R N -0.054 120.443 120.500 -0.006 0.000 2.725 306 R HA 0.603 4.943 4.340 -0.000 0.000 0.277 306 R C -1.313 174.945 176.300 -0.070 0.000 0.987 306 R CA -0.534 55.564 56.100 -0.004 0.000 0.901 306 R CB 2.102 32.404 30.300 0.004 0.000 1.207 306 R HN -0.127 nan 8.270 nan 0.000 0.463 307 L N 1.435 122.630 121.223 -0.048 0.000 2.431 307 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 307 L C -0.603 176.289 176.870 0.037 0.000 0.978 307 L CA -0.532 54.218 54.840 -0.150 0.000 0.822 307 L CB 2.217 43.960 42.059 -0.527 0.000 1.310 307 L HN 0.380 nan 8.230 nan 0.000 0.409 308 R N 2.698 123.186 120.500 -0.020 0.000 2.360 308 R HA 0.655 4.995 4.340 -0.000 0.000 0.318 308 R C -1.670 174.682 176.300 0.087 0.000 0.950 308 R CA -0.771 55.344 56.100 0.025 0.000 0.837 308 R CB 1.452 31.666 30.300 -0.144 0.000 1.165 308 R HN 0.524 nan 8.270 nan 0.000 0.458 309 L N 3.291 124.676 121.223 0.270 0.000 2.325 309 L HA 0.495 4.835 4.340 -0.000 0.000 0.278 309 L C -0.456 176.604 176.870 0.317 0.000 1.023 309 L CA -0.433 54.587 54.840 0.301 0.000 0.811 309 L CB 1.484 43.833 42.059 0.483 0.000 1.249 309 L HN 0.498 nan 8.230 nan 0.000 0.431 310 R N 3.449 124.099 120.500 0.250 0.000 2.220 310 R HA 0.111 4.451 4.340 -0.000 0.000 0.340 310 R C 0.595 176.978 176.300 0.137 0.000 1.076 310 R CA -0.069 56.160 56.100 0.215 0.000 0.920 310 R CB 0.814 31.193 30.300 0.131 0.000 1.062 310 R HN 0.734 nan 8.270 nan 0.000 0.469 311 K N 3.096 123.560 120.400 0.106 0.000 2.186 311 K HA 0.079 4.399 4.320 -0.000 0.000 0.202 311 K C 0.392 177.012 176.600 0.034 0.000 1.052 311 K CA 0.882 57.222 56.287 0.089 0.000 0.965 311 K CB 0.389 32.934 32.500 0.076 0.000 0.746 311 K HN 0.380 nan 8.250 nan 0.000 0.457 312 L N 0.000 121.209 121.223 -0.024 0.000 2.949 312 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 312 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 312 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 312 L HN 0.000 nan 8.230 nan 0.000 0.502