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 3qbp_1_D DATA FIRST_RESID 27 DATA SEQUENCE VPAKALWRAQ TQRAVENFPI SGRGLERAQI RALGLLKGAC AQVNMDLGLL DATA SEQUENCE APEKAEAIIA AAAEIADGQH DDQFPIDVFQ TGSGTSSNMN TNEVIASIAG DATA SEQUENCE ANGVAVHPND DVNMSQSSND TFPTATHIAA TEAAVSHLIP ALEILQDALA DATA SEQUENCE TKALEWQSVV KSGRTHLMDA VPVTLGQEFS GYARQIEAGI ERVRATLPRL DATA SEQUENCE GELAIGGTAV GTGLNAPEGF GVKVVSVLVS QTGLPQLRTA ANSFEAQAAR DATA SEQUENCE DGLVEASGAL RTIAVSLTKI ANDIRWMGSG PLTGLAEIQL PDLXXXXXXX DATA SEQUENCE XXKVNPVLPE AVTQVAAQVI GNDAAVAWGG ANGAFELNVY IPMMARNILE DATA SEQUENCE SFTLLTNVSK LFAQRCIAGL TANAEHLREL AESSPSIVTP LNSAIGYEEA DATA SEQUENCE AAVAKQALKE RKTIRQTVID RGLIGDKLSL EELDRRLDVL AMAKVE 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 27 V HA 0.000 nan 4.120 nan 0.000 0.244 27 V C 0.000 176.038 176.094 -0.093 0.000 1.182 27 V CA 0.000 62.288 62.300 -0.021 0.000 1.235 27 V CB 0.000 31.767 31.823 -0.092 0.000 1.184 28 P HA 0.299 nan 4.420 nan 0.000 0.265 28 P C 0.978 178.150 177.300 -0.212 0.000 1.187 28 P CA 0.491 63.510 63.100 -0.135 0.000 0.766 28 P CB 0.869 32.496 31.700 -0.123 0.000 0.820 29 A N 3.063 125.801 122.820 -0.137 0.000 1.908 29 A HA -0.125 4.203 4.320 0.014 0.000 0.218 29 A C 2.038 179.526 177.584 -0.159 0.000 1.181 29 A CA 2.219 54.178 52.037 -0.129 0.000 0.627 29 A CB -1.325 17.629 19.000 -0.078 0.000 0.818 29 A HN 0.564 nan 8.150 nan 0.000 0.445 30 K N -0.568 119.739 120.400 -0.155 0.000 2.505 30 K HA 0.649 4.978 4.320 0.014 0.000 0.192 30 K C 0.682 177.129 176.600 -0.255 0.000 1.025 30 K CA 0.770 56.969 56.287 -0.146 0.000 1.086 30 K CB -1.205 31.249 32.500 -0.075 0.000 0.840 30 K HN 0.953 nan 8.250 nan 0.000 0.514 31 A N 0.494 123.037 122.820 -0.462 0.000 2.409 31 A HA 0.585 4.913 4.320 0.014 0.000 0.262 31 A C 0.982 178.178 177.584 -0.647 0.000 1.113 31 A CA -0.445 51.054 52.037 -0.896 0.000 0.790 31 A CB 0.193 18.162 19.000 -1.719 0.000 1.046 31 A HN 0.373 nan 8.150 nan 0.000 0.496 32 L N 1.026 121.964 121.223 -0.475 0.000 2.567 32 L HA 0.119 4.467 4.340 0.014 0.000 0.225 32 L C 0.811 177.563 176.870 -0.196 0.000 1.119 32 L CA -0.329 54.348 54.840 -0.273 0.000 0.871 32 L CB -0.306 41.641 42.059 -0.188 0.000 1.036 32 L HN 0.951 nan 8.230 nan 0.000 0.459 33 W N 0.808 122.015 121.300 -0.156 0.000 2.141 33 W HA 0.567 5.235 4.660 0.014 0.000 0.354 33 W C 0.439 176.895 176.519 -0.104 0.000 1.297 33 W CA -0.972 56.278 57.345 -0.158 0.000 1.380 33 W CB 0.310 29.663 29.460 -0.179 0.000 1.168 33 W HN -0.235 nan 8.180 nan 0.000 0.639 34 R N 0.108 120.738 120.500 0.217 0.000 3.415 34 R HA 0.629 4.978 4.340 0.014 0.000 0.229 34 R C 1.593 177.996 176.300 0.171 0.000 1.651 34 R CA -0.437 55.721 56.100 0.096 0.000 0.998 34 R CB -0.153 30.152 30.300 0.008 0.000 1.805 34 R HN 0.565 nan 8.270 nan 0.000 0.534 35 A N 0.930 123.794 122.820 0.074 0.000 1.873 35 A HA -0.247 4.081 4.320 0.014 0.000 0.218 35 A C 2.046 179.665 177.584 0.058 0.000 1.193 35 A CA 1.822 53.896 52.037 0.060 0.000 0.629 35 A CB -0.838 18.175 19.000 0.021 0.000 0.826 35 A HN 0.621 nan 8.150 nan 0.000 0.447 36 Q N -1.102 118.723 119.800 0.042 0.000 2.135 36 Q HA -0.134 4.214 4.340 0.014 0.000 0.204 36 Q C 2.200 178.211 176.000 0.019 0.000 0.981 36 Q CA 1.949 57.768 55.803 0.026 0.000 0.856 36 Q CB -0.417 28.334 28.738 0.022 0.000 0.902 36 Q HN 0.705 nan 8.270 nan 0.000 0.425 37 T N 0.446 115.019 114.554 0.031 0.000 2.770 37 T HA -0.177 4.182 4.350 0.014 0.000 0.263 37 T C 1.744 176.381 174.700 -0.107 0.000 1.039 37 T CA 1.328 63.385 62.100 -0.072 0.000 1.142 37 T CB -0.187 68.591 68.868 -0.150 0.000 0.868 37 T HN 0.152 nan 8.240 nan 0.000 0.435 38 Q N 1.367 121.205 119.800 0.064 0.000 2.135 38 Q HA -0.105 4.243 4.340 0.014 0.000 0.204 38 Q C 2.504 178.511 176.000 0.013 0.000 0.981 38 Q CA 2.267 58.131 55.803 0.102 0.000 0.856 38 Q CB -0.504 28.377 28.738 0.237 0.000 0.902 38 Q HN 0.552 nan 8.270 nan 0.000 0.425 39 R N 0.089 120.587 120.500 -0.003 0.000 2.081 39 R HA 0.085 4.433 4.340 0.014 0.000 0.235 39 R C 2.342 178.580 176.300 -0.103 0.000 1.131 39 R CA 1.795 57.866 56.100 -0.048 0.000 0.960 39 R CB -1.759 28.517 30.300 -0.041 0.000 0.856 39 R HN 0.508 nan 8.270 nan 0.000 0.436 40 A N 0.447 123.227 122.820 -0.066 0.000 1.933 40 A HA 0.005 4.334 4.320 0.014 0.000 0.218 40 A C 2.580 180.158 177.584 -0.010 0.000 1.175 40 A CA 1.662 53.688 52.037 -0.019 0.000 0.628 40 A CB -0.495 18.568 19.000 0.105 0.000 0.814 40 A HN 0.350 nan 8.150 nan 0.000 0.444 41 V N 0.069 119.947 119.914 -0.059 0.000 2.343 41 V HA -0.278 3.850 4.120 0.014 0.000 0.247 41 V C 2.375 178.443 176.094 -0.043 0.000 1.051 41 V CA 2.358 64.624 62.300 -0.057 0.000 1.036 41 V CB -0.803 30.954 31.823 -0.111 0.000 0.654 41 V HN 0.657 nan 8.190 nan 0.000 0.451 42 E N -0.065 120.092 120.200 -0.072 0.000 2.152 42 E HA -0.142 4.216 4.350 0.014 0.000 0.192 42 E C 1.993 178.501 176.600 -0.153 0.000 0.983 42 E CA 0.912 57.264 56.400 -0.081 0.000 0.818 42 E CB -0.150 29.511 29.700 -0.065 0.000 0.758 42 E HN 0.536 nan 8.360 nan 0.000 0.467 43 N N -0.079 118.441 118.700 -0.300 0.000 2.354 43 N HA -0.046 4.702 4.740 0.014 0.000 0.179 43 N C -0.011 175.141 175.510 -0.596 0.000 1.021 43 N CA 0.805 53.517 53.050 -0.563 0.000 0.887 43 N CB 0.250 38.161 38.487 -0.960 0.000 0.974 43 N HN 0.066 nan 8.380 nan 0.000 0.437 44 F N 0.660 120.601 119.950 -0.014 0.000 2.739 44 F HA 0.336 4.871 4.527 0.014 0.000 0.345 44 F C -2.105 173.700 175.800 0.009 0.000 1.373 44 F CA -2.309 55.692 58.000 0.002 0.000 1.160 44 F CB 0.857 39.861 39.000 0.007 0.000 1.137 44 F HN -0.174 nan 8.300 nan 0.000 0.524 45 P HA 0.210 nan 4.420 nan 0.000 0.249 45 P C 0.617 177.967 177.300 0.083 0.000 1.737 45 P CA 0.588 63.738 63.100 0.084 0.000 1.128 45 P CB 0.354 32.075 31.700 0.035 0.000 1.942 46 I N 1.061 121.700 120.570 0.116 0.000 3.345 46 I HA -0.054 4.124 4.170 0.014 0.000 0.258 46 I C 2.064 178.204 176.117 0.038 0.000 1.134 46 I CA 0.870 62.211 61.300 0.069 0.000 1.457 46 I CB -0.147 37.910 38.000 0.095 0.000 1.425 46 I HN 0.161 nan 8.210 nan 0.000 0.461 47 S N -0.024 115.748 115.700 0.119 0.000 2.506 47 S HA 0.250 4.729 4.470 0.014 0.000 0.219 47 S C 1.697 176.352 174.600 0.091 0.000 1.031 47 S CA 0.531 58.799 58.200 0.114 0.000 0.911 47 S CB 0.832 64.192 63.200 0.266 0.000 0.812 47 S HN 0.574 nan 8.310 nan 0.000 0.497 48 G N 0.857 109.711 108.800 0.090 0.000 2.155 48 G HA2 -0.136 3.832 3.960 0.014 0.000 0.257 48 G HA3 -0.136 3.832 3.960 0.014 0.000 0.257 48 G C 0.194 175.129 174.900 0.059 0.000 0.983 48 G CA 0.411 45.549 45.100 0.063 0.000 0.676 48 G HN 1.107 nan 8.290 nan 0.000 0.528 49 R N -0.263 120.281 120.500 0.075 0.000 2.562 49 R HA 0.892 5.241 4.340 0.014 0.000 0.298 49 R C 0.629 176.950 176.300 0.035 0.000 0.961 49 R CA 0.715 56.848 56.100 0.055 0.000 0.881 49 R CB 1.364 31.701 30.300 0.061 0.000 1.159 49 R HN 1.556 nan 8.270 nan 0.000 0.450 50 G N 0.341 109.154 108.800 0.022 0.000 2.795 50 G HA2 0.573 4.541 3.960 0.014 0.000 0.267 50 G HA3 0.573 4.541 3.960 0.014 0.000 0.267 50 G C -0.111 174.792 174.900 0.007 0.000 1.362 50 G CA -0.956 44.151 45.100 0.012 0.000 1.048 50 G HN 0.610 nan 8.290 nan 0.000 0.547 51 L N 0.679 121.914 121.223 0.019 0.000 2.483 51 L HA 0.166 4.515 4.340 0.014 0.000 0.275 51 L C 0.619 177.473 176.870 -0.027 0.000 1.220 51 L CA -0.392 54.447 54.840 -0.002 0.000 0.833 51 L CB 0.292 42.351 42.059 0.001 0.000 1.102 51 L HN 0.384 nan 8.230 nan 0.000 0.490 52 E N 1.266 121.439 120.200 -0.046 0.000 2.369 52 E HA 0.122 4.480 4.350 0.014 0.000 0.255 52 E C 1.248 177.793 176.600 -0.090 0.000 1.172 52 E CA 0.086 56.453 56.400 -0.055 0.000 0.932 52 E CB 0.471 30.139 29.700 -0.053 0.000 1.040 52 E HN 0.566 nan 8.360 nan 0.000 0.454 53 R N 1.224 121.676 120.500 -0.080 0.000 2.096 53 R HA -0.156 4.192 4.340 0.014 0.000 0.240 53 R C 2.205 178.431 176.300 -0.123 0.000 1.139 53 R CA 2.540 58.583 56.100 -0.096 0.000 0.952 53 R CB -1.692 28.567 30.300 -0.069 0.000 0.854 53 R HN 0.588 nan 8.270 nan 0.000 0.436 54 A N 0.582 123.329 122.820 -0.122 0.000 1.972 54 A HA -0.208 4.120 4.320 0.014 0.000 0.219 54 A C 2.348 179.845 177.584 -0.144 0.000 1.169 54 A CA 1.619 53.577 52.037 -0.132 0.000 0.635 54 A CB -0.279 18.633 19.000 -0.147 0.000 0.810 54 A HN 0.736 nan 8.150 nan 0.000 0.446 55 Q N -0.551 119.159 119.800 -0.150 0.000 2.083 55 Q HA -0.037 4.312 4.340 0.014 0.000 0.198 55 Q C 2.010 177.880 176.000 -0.217 0.000 0.969 55 Q CA 1.356 57.055 55.803 -0.173 0.000 0.838 55 Q CB -0.292 28.365 28.738 -0.135 0.000 0.900 55 Q HN 0.725 nan 8.270 nan 0.000 0.436 56 I N 0.704 121.102 120.570 -0.287 0.000 2.163 56 I HA -0.329 3.849 4.170 0.014 0.000 0.243 56 I C 2.689 178.630 176.117 -0.294 0.000 1.085 56 I CA 1.307 62.316 61.300 -0.485 0.000 1.347 56 I CB -0.322 37.296 38.000 -0.637 0.000 1.044 56 I HN 0.181 nan 8.210 nan 0.000 0.408 57 R N 1.448 121.837 120.500 -0.185 0.000 2.083 57 R HA -0.210 4.139 4.340 0.014 0.000 0.237 57 R C 2.343 178.589 176.300 -0.090 0.000 1.137 57 R CA 1.846 57.882 56.100 -0.107 0.000 0.951 57 R CB -0.337 29.913 30.300 -0.083 0.000 0.851 57 R HN 0.348 nan 8.270 nan 0.000 0.434 58 A N 1.041 123.794 122.820 -0.112 0.000 1.933 58 A HA -0.098 4.230 4.320 0.014 0.000 0.218 58 A C 2.229 179.766 177.584 -0.079 0.000 1.175 58 A CA 1.186 53.164 52.037 -0.097 0.000 0.628 58 A CB -0.483 18.441 19.000 -0.127 0.000 0.814 58 A HN 0.378 nan 8.150 nan 0.000 0.444 59 L N -0.718 120.451 121.223 -0.091 0.000 2.017 59 L HA -0.134 4.215 4.340 0.014 0.000 0.208 59 L C 2.866 179.747 176.870 0.019 0.000 1.073 59 L CA 1.172 55.995 54.840 -0.027 0.000 0.745 59 L CB -0.774 41.280 42.059 -0.007 0.000 0.894 59 L HN 0.489 nan 8.230 nan 0.000 0.432 60 G N -0.016 108.787 108.800 0.006 0.000 2.446 60 G HA2 -0.247 3.721 3.960 0.014 0.000 0.217 60 G HA3 -0.247 3.721 3.960 0.014 0.000 0.217 60 G C 1.608 176.527 174.900 0.031 0.000 1.168 60 G CA 0.754 45.882 45.100 0.047 0.000 0.771 60 G HN 0.231 nan 8.290 nan 0.000 0.551 61 L N -0.404 120.821 121.223 0.003 0.000 2.012 61 L HA -0.099 4.249 4.340 0.014 0.000 0.210 61 L C 2.729 179.599 176.870 -0.000 0.000 1.073 61 L CA 0.756 55.593 54.840 -0.004 0.000 0.748 61 L CB -0.482 41.563 42.059 -0.022 0.000 0.891 61 L HN 0.234 nan 8.230 nan 0.000 0.431 62 L N -0.208 121.014 121.223 -0.001 0.000 2.017 62 L HA -0.198 4.151 4.340 0.014 0.000 0.208 62 L C 2.546 179.437 176.870 0.035 0.000 1.073 62 L CA 1.851 56.695 54.840 0.007 0.000 0.745 62 L CB -0.637 41.428 42.059 0.010 0.000 0.894 62 L HN 0.079 nan 8.230 nan 0.000 0.432 63 K N -0.163 120.270 120.400 0.056 0.000 2.097 63 K HA 0.005 4.333 4.320 0.014 0.000 0.205 63 K C 2.061 178.701 176.600 0.066 0.000 1.050 63 K CA 1.150 57.483 56.287 0.078 0.000 0.938 63 K CB -1.110 31.445 32.500 0.092 0.000 0.718 63 K HN 0.514 nan 8.250 nan 0.000 0.442 64 G N 1.291 110.121 108.800 0.049 0.000 2.446 64 G HA2 -0.261 3.707 3.960 0.014 0.000 0.217 64 G HA3 -0.261 3.707 3.960 0.014 0.000 0.217 64 G C 1.722 176.637 174.900 0.025 0.000 1.168 64 G CA 1.349 46.472 45.100 0.038 0.000 0.771 64 G HN 0.382 nan 8.290 nan 0.000 0.551 65 A N -0.108 122.715 122.820 0.006 0.000 1.902 65 A HA -0.064 4.264 4.320 0.014 0.000 0.217 65 A C 2.597 180.162 177.584 -0.031 0.000 1.181 65 A CA 1.802 53.822 52.037 -0.028 0.000 0.623 65 A CB -1.004 17.960 19.000 -0.059 0.000 0.818 65 A HN 0.431 nan 8.150 nan 0.000 0.443 66 C N -0.980 118.332 119.300 0.020 0.000 2.413 66 C HA 0.002 4.470 4.460 0.014 0.000 0.276 66 C C 3.324 178.417 174.990 0.171 0.000 1.236 66 C CA 0.882 59.982 59.018 0.137 0.000 1.735 66 C CB -1.380 26.514 27.740 0.258 0.000 2.031 66 C HN 0.705 nan 8.230 nan 0.000 0.474 67 A N -0.061 122.826 122.820 0.112 0.000 1.902 67 A HA -0.253 4.076 4.320 0.014 0.000 0.217 67 A C 2.063 179.692 177.584 0.075 0.000 1.181 67 A CA 2.166 54.259 52.037 0.094 0.000 0.623 67 A CB -0.702 18.340 19.000 0.071 0.000 0.818 67 A HN 0.621 nan 8.150 nan 0.000 0.443 68 Q N -0.035 119.794 119.800 0.048 0.000 2.050 68 Q HA -0.120 4.228 4.340 0.014 0.000 0.202 68 Q C 1.841 177.863 176.000 0.037 0.000 0.980 68 Q CA 2.377 58.198 55.803 0.030 0.000 0.840 68 Q CB -0.565 28.176 28.738 0.005 0.000 0.898 68 Q HN 0.335 nan 8.270 nan 0.000 0.424 69 V N 1.207 121.143 119.914 0.036 0.000 2.358 69 V HA -0.221 3.907 4.120 0.014 0.000 0.246 69 V C 1.991 178.178 176.094 0.154 0.000 1.047 69 V CA 1.870 64.201 62.300 0.052 0.000 1.035 69 V CB -0.757 31.015 31.823 -0.086 0.000 0.658 69 V HN 0.440 nan 8.190 nan 0.000 0.452 70 N N -0.176 118.656 118.700 0.220 0.000 2.149 70 N HA -0.197 4.552 4.740 0.014 0.000 0.188 70 N C 1.773 177.339 175.510 0.093 0.000 1.019 70 N CA 1.874 55.027 53.050 0.171 0.000 0.857 70 N CB -0.350 38.223 38.487 0.144 0.000 0.997 70 N HN 0.500 nan 8.380 nan 0.000 0.426 71 M N 0.977 120.623 119.600 0.076 0.000 2.067 71 M HA -0.162 4.327 4.480 0.014 0.000 0.260 71 M C 0.961 177.287 176.300 0.044 0.000 1.069 71 M CA 1.676 57.007 55.300 0.050 0.000 1.117 71 M CB -0.054 32.571 32.600 0.041 0.000 1.334 71 M HN -0.110 nan 8.290 nan 0.000 0.407 72 D N 0.738 121.165 120.400 0.044 0.000 2.158 72 D HA -0.169 4.479 4.640 0.014 0.000 0.197 72 D C 1.838 178.162 176.300 0.040 0.000 0.995 72 D CA 1.435 55.456 54.000 0.035 0.000 0.846 72 D CB -0.419 40.398 40.800 0.028 0.000 0.941 72 D HN 0.437 nan 8.370 nan 0.000 0.456 73 L N -0.588 120.670 121.223 0.057 0.000 2.599 73 L HA 0.157 4.505 4.340 0.014 0.000 0.230 73 L C 1.435 178.328 176.870 0.039 0.000 1.141 73 L CA 0.296 55.169 54.840 0.055 0.000 0.877 73 L CB -0.175 41.934 42.059 0.083 0.000 1.009 73 L HN 0.084 nan 8.230 nan 0.000 0.447 74 G N 0.309 109.130 108.800 0.034 0.000 2.160 74 G HA2 -0.296 3.673 3.960 0.014 0.000 0.251 74 G HA3 -0.296 3.673 3.960 0.014 0.000 0.251 74 G C 0.701 175.614 174.900 0.021 0.000 1.008 74 G CA 0.446 45.561 45.100 0.024 0.000 0.724 74 G HN 0.385 nan 8.290 nan 0.000 0.514 75 L N -1.605 119.633 121.223 0.026 0.000 2.463 75 L HA 0.474 4.823 4.340 0.014 0.000 0.219 75 L C 0.899 177.777 176.870 0.013 0.000 1.088 75 L CA 0.186 55.035 54.840 0.014 0.000 0.849 75 L CB 0.326 42.390 42.059 0.008 0.000 1.012 75 L HN 0.281 nan 8.230 nan 0.000 0.468 76 L N 0.351 121.589 121.223 0.026 0.000 2.376 76 L HA 0.642 4.990 4.340 0.014 0.000 0.275 76 L C 0.045 176.931 176.870 0.026 0.000 0.987 76 L CA -0.671 54.185 54.840 0.027 0.000 0.828 76 L CB 1.367 43.450 42.059 0.040 0.000 1.249 76 L HN -0.078 nan 8.230 nan 0.000 0.409 77 A N 6.561 129.394 122.820 0.021 0.000 2.540 77 A HA 0.377 4.705 4.320 0.014 0.000 0.239 77 A C -1.655 175.942 177.584 0.022 0.000 1.061 77 A CA -0.530 51.518 52.037 0.019 0.000 0.758 77 A CB -0.398 18.612 19.000 0.016 0.000 0.991 77 A HN 0.795 nan 8.150 nan 0.000 0.502 78 P HA -0.221 nan 4.420 nan 0.000 0.217 78 P C 1.340 178.653 177.300 0.021 0.000 1.151 78 P CA 1.755 64.868 63.100 0.021 0.000 0.849 78 P CB 0.214 31.924 31.700 0.017 0.000 0.787 79 E N -0.020 120.191 120.200 0.019 0.000 2.077 79 E HA -0.209 4.149 4.350 0.014 0.000 0.193 79 E C 1.803 178.417 176.600 0.022 0.000 0.989 79 E CA 1.181 57.592 56.400 0.019 0.000 0.800 79 E CB -0.116 29.594 29.700 0.016 0.000 0.746 79 E HN 0.169 nan 8.360 nan 0.000 0.452 80 K N -0.020 120.395 120.400 0.024 0.000 2.025 80 K HA -0.085 4.243 4.320 0.014 0.000 0.207 80 K C 2.202 178.822 176.600 0.034 0.000 1.049 80 K CA 0.961 57.266 56.287 0.029 0.000 0.933 80 K CB -0.125 32.394 32.500 0.032 0.000 0.714 80 K HN 0.105 nan 8.250 nan 0.000 0.438 81 A N 1.832 124.672 122.820 0.034 0.000 1.902 81 A HA -0.178 4.151 4.320 0.014 0.000 0.217 81 A C 1.951 179.557 177.584 0.035 0.000 1.181 81 A CA 1.442 53.502 52.037 0.039 0.000 0.623 81 A CB -0.262 18.762 19.000 0.039 0.000 0.818 81 A HN 0.178 nan 8.150 nan 0.000 0.443 82 E N -0.054 120.163 120.200 0.029 0.000 2.106 82 E HA -0.086 4.273 4.350 0.014 0.000 0.192 82 E C 2.312 178.930 176.600 0.029 0.000 0.984 82 E CA 1.140 57.556 56.400 0.027 0.000 0.806 82 E CB -0.561 29.152 29.700 0.022 0.000 0.750 82 E HN 0.580 nan 8.360 nan 0.000 0.458 83 A N 1.202 124.039 122.820 0.028 0.000 1.898 83 A HA -0.127 4.202 4.320 0.014 0.000 0.216 83 A C 2.327 179.930 177.584 0.032 0.000 1.181 83 A CA 0.979 53.032 52.037 0.027 0.000 0.620 83 A CB -0.605 18.409 19.000 0.023 0.000 0.819 83 A HN 0.153 nan 8.150 nan 0.000 0.442 84 I N -0.296 120.296 120.570 0.036 0.000 2.179 84 I HA -0.269 3.909 4.170 0.014 0.000 0.242 84 I C 2.306 178.451 176.117 0.047 0.000 1.088 84 I CA 1.378 62.704 61.300 0.044 0.000 1.357 84 I CB -0.334 37.697 38.000 0.050 0.000 1.051 84 I HN 0.304 nan 8.210 nan 0.000 0.409 85 I N 0.733 121.328 120.570 0.043 0.000 2.163 85 I HA -0.322 3.856 4.170 0.014 0.000 0.243 85 I C 2.773 178.916 176.117 0.042 0.000 1.085 85 I CA 1.527 62.851 61.300 0.040 0.000 1.347 85 I CB -0.507 37.512 38.000 0.033 0.000 1.044 85 I HN 0.203 nan 8.210 nan 0.000 0.408 86 A N 0.570 123.414 122.820 0.041 0.000 1.898 86 A HA -0.116 4.212 4.320 0.014 0.000 0.216 86 A C 2.532 180.153 177.584 0.062 0.000 1.181 86 A CA 1.749 53.813 52.037 0.046 0.000 0.620 86 A CB -0.802 18.221 19.000 0.039 0.000 0.819 86 A HN 0.433 nan 8.150 nan 0.000 0.442 87 A N -0.084 122.771 122.820 0.058 0.000 1.898 87 A HA 0.181 4.510 4.320 0.014 0.000 0.216 87 A C 2.502 180.141 177.584 0.091 0.000 1.181 87 A CA 2.017 54.093 52.037 0.066 0.000 0.620 87 A CB -1.022 17.998 19.000 0.034 0.000 0.819 87 A HN 1.051 nan 8.150 nan 0.000 0.442 88 A N -0.159 122.709 122.820 0.079 0.000 1.933 88 A HA 0.163 4.491 4.320 0.014 0.000 0.218 88 A C 2.454 180.090 177.584 0.086 0.000 1.175 88 A CA 1.993 54.083 52.037 0.088 0.000 0.628 88 A CB -0.915 18.127 19.000 0.070 0.000 0.814 88 A HN 1.060 nan 8.150 nan 0.000 0.444 89 A N -0.227 122.637 122.820 0.072 0.000 1.972 89 A HA -0.153 4.176 4.320 0.014 0.000 0.219 89 A C 1.894 179.527 177.584 0.080 0.000 1.169 89 A CA 1.568 53.642 52.037 0.061 0.000 0.635 89 A CB -0.447 18.580 19.000 0.045 0.000 0.810 89 A HN 0.652 nan 8.150 nan 0.000 0.446 90 E N -0.258 120.017 120.200 0.125 0.000 2.077 90 E HA -0.150 4.208 4.350 0.014 0.000 0.193 90 E C 1.867 178.593 176.600 0.210 0.000 0.989 90 E CA 1.261 57.762 56.400 0.167 0.000 0.800 90 E CB -0.295 29.589 29.700 0.308 0.000 0.746 90 E HN 0.712 nan 8.360 nan 0.000 0.452 91 I N 1.248 121.983 120.570 0.275 0.000 2.179 91 I HA -0.266 3.912 4.170 0.014 0.000 0.242 91 I C 2.562 178.736 176.117 0.096 0.000 1.088 91 I CA 1.039 62.484 61.300 0.243 0.000 1.357 91 I CB -0.341 37.807 38.000 0.247 0.000 1.051 91 I HN 0.067 nan 8.210 nan 0.000 0.409 92 A N -0.058 122.800 122.820 0.064 0.000 2.019 92 A HA -0.278 4.051 4.320 0.014 0.000 0.219 92 A C 1.848 179.437 177.584 0.009 0.000 1.164 92 A CA 2.171 54.218 52.037 0.018 0.000 0.644 92 A CB -0.585 18.425 19.000 0.016 0.000 0.805 92 A HN 0.464 nan 8.150 nan 0.000 0.449 93 D N -1.719 118.693 120.400 0.021 0.000 2.328 93 D HA 0.280 4.928 4.640 0.014 0.000 0.226 93 D C 1.142 177.436 176.300 -0.010 0.000 1.066 93 D CA 0.925 54.927 54.000 0.004 0.000 0.861 93 D CB -0.289 40.515 40.800 0.007 0.000 0.912 93 D HN 0.508 nan 8.370 nan 0.000 0.521 94 G N 0.870 109.667 108.800 -0.006 0.000 2.160 94 G HA2 -0.361 3.607 3.960 0.014 0.000 0.251 94 G HA3 -0.361 3.607 3.960 0.014 0.000 0.251 94 G C 0.886 175.761 174.900 -0.043 0.000 1.008 94 G CA 0.475 45.566 45.100 -0.016 0.000 0.724 94 G HN 0.476 nan 8.290 nan 0.000 0.514 95 Q N -0.795 118.943 119.800 -0.103 0.000 2.451 95 Q HA 0.105 4.453 4.340 0.014 0.000 0.206 95 Q C 0.852 176.546 176.000 -0.511 0.000 0.947 95 Q CA 0.607 56.220 55.803 -0.318 0.000 0.937 95 Q CB 0.269 28.740 28.738 -0.445 0.000 1.025 95 Q HN 0.768 nan 8.270 nan 0.000 0.511 96 H N -0.800 118.348 119.070 0.130 0.000 2.750 96 H HA 0.117 4.681 4.556 0.014 0.000 0.239 96 H C -0.178 175.330 175.328 0.300 0.000 1.210 96 H CA -0.217 55.956 56.048 0.207 0.000 0.936 96 H CB 0.675 30.587 29.762 0.250 0.000 2.074 96 H HN 0.154 nan 8.280 nan 0.000 0.622 97 D N 0.868 121.413 120.400 0.241 0.000 2.351 97 D HA -0.113 4.535 4.640 0.014 0.000 0.216 97 D C 1.419 177.879 176.300 0.266 0.000 0.968 97 D CA 0.968 55.087 54.000 0.198 0.000 0.899 97 D CB 0.120 40.967 40.800 0.077 0.000 0.907 97 D HN 0.575 nan 8.370 nan 0.000 0.514 98 D N -0.621 119.946 120.400 0.279 0.000 2.339 98 D HA -0.060 4.588 4.640 0.014 0.000 0.217 98 D C 0.946 177.468 176.300 0.370 0.000 1.050 98 D CA 0.164 54.325 54.000 0.268 0.000 0.856 98 D CB -0.038 40.880 40.800 0.197 0.000 0.922 98 D HN 0.023 nan 8.370 nan 0.000 0.518 99 Q N -0.122 119.942 119.800 0.440 0.000 2.188 99 Q HA 0.197 4.546 4.340 0.014 0.000 0.212 99 Q C -0.662 175.303 176.000 -0.059 0.000 0.846 99 Q CA -0.181 55.832 55.803 0.351 0.000 0.989 99 Q CB 0.125 28.958 28.738 0.160 0.000 1.114 99 Q HN 0.312 nan 8.270 nan 0.000 0.488 100 F N 1.722 121.726 119.950 0.091 0.000 2.660 100 F HA 0.290 4.825 4.527 0.014 0.000 0.352 100 F C -1.561 174.138 175.800 -0.168 0.000 1.257 100 F CA -1.467 56.503 58.000 -0.050 0.000 1.200 100 F CB 1.617 40.628 39.000 0.019 0.000 1.473 100 F HN -0.074 nan 8.300 nan 0.000 0.561 101 P HA 0.089 nan 4.420 nan 0.000 0.251 101 P C 0.406 177.583 177.300 -0.205 0.000 1.223 101 P CA 0.557 63.461 63.100 -0.327 0.000 0.796 101 P CB 0.672 31.943 31.700 -0.716 0.000 1.068 102 I N 1.329 121.797 120.570 -0.171 0.000 2.648 102 I HA 0.028 4.207 4.170 0.014 0.000 0.284 102 I C 1.090 177.190 176.117 -0.029 0.000 1.153 102 I CA 0.030 61.284 61.300 -0.077 0.000 1.426 102 I CB 0.096 38.062 38.000 -0.056 0.000 1.381 102 I HN -0.097 nan 8.210 nan 0.000 0.571 103 D N 4.435 124.843 120.400 0.014 0.000 2.443 103 D HA -0.015 4.634 4.640 0.014 0.000 0.239 103 D C 1.161 177.400 176.300 -0.103 0.000 1.136 103 D CA -0.009 54.000 54.000 0.015 0.000 0.879 103 D CB 1.540 42.408 40.800 0.114 0.000 1.195 103 D HN 0.264 nan 8.370 nan 0.000 0.443 104 V N 3.925 123.757 119.914 -0.136 0.000 2.317 104 V HA -0.269 3.859 4.120 0.014 0.000 0.251 104 V C 1.124 176.878 176.094 -0.567 0.000 1.065 104 V CA 1.405 63.486 62.300 -0.365 0.000 1.049 104 V CB -0.478 31.046 31.823 -0.499 0.000 0.651 104 V HN 0.446 nan 8.190 nan 0.000 0.450 105 F N 2.013 121.861 119.950 -0.169 0.000 2.661 105 F HA 0.322 4.858 4.527 0.014 0.000 0.356 105 F C 0.812 176.280 175.800 -0.554 0.000 1.244 105 F CA -0.316 57.541 58.000 -0.237 0.000 1.290 105 F CB -0.627 38.305 39.000 -0.113 0.000 1.677 105 F HN 0.364 nan 8.300 nan 0.000 0.649 106 Q N -1.202 118.175 119.800 -0.705 0.000 2.814 106 Q HA 0.426 4.774 4.340 0.014 0.000 0.283 106 Q C -0.006 175.465 176.000 -0.882 0.000 1.071 106 Q CA -1.241 53.702 55.803 -1.434 0.000 0.849 106 Q CB 0.838 29.036 28.738 -0.900 0.000 1.437 106 Q HN 0.141 nan 8.270 nan 0.000 0.492 107 T N -0.722 113.425 114.554 -0.678 0.000 2.867 107 T HA 0.013 4.371 4.350 0.014 0.000 0.290 107 T C 1.153 175.683 174.700 -0.284 0.000 1.025 107 T CA 0.782 62.731 62.100 -0.251 0.000 1.146 107 T CB -0.032 68.807 68.868 -0.048 0.000 1.024 107 T HN 0.714 nan 8.240 nan 0.000 0.519 108 G N 2.498 111.168 108.800 -0.217 0.000 2.776 108 G HA2 -0.066 3.902 3.960 0.014 0.000 0.209 108 G HA3 -0.066 3.902 3.960 0.014 0.000 0.209 108 G C 1.579 176.393 174.900 -0.143 0.000 1.145 108 G CA 0.559 45.531 45.100 -0.213 0.000 0.791 108 G HN 0.892 nan 8.290 nan 0.000 0.530 109 S N -0.786 114.834 115.700 -0.133 0.000 2.528 109 S HA 0.316 4.794 4.470 0.014 0.000 0.219 109 S C 1.928 176.399 174.600 -0.215 0.000 0.985 109 S CA 0.885 59.041 58.200 -0.073 0.000 0.914 109 S CB -0.062 63.122 63.200 -0.025 0.000 0.776 109 S HN 1.332 nan 8.310 nan 0.000 0.526 110 G N 1.036 109.530 108.800 -0.509 0.000 2.168 110 G HA2 -0.331 3.638 3.960 0.014 0.000 0.257 110 G HA3 -0.331 3.638 3.960 0.014 0.000 0.257 110 G C 0.703 175.314 174.900 -0.482 0.000 0.997 110 G CA 0.712 45.190 45.100 -1.036 0.000 0.708 110 G HN 0.512 nan 8.290 nan 0.000 0.520 111 T N 0.687 115.114 114.554 -0.212 0.000 2.699 111 T HA -0.168 4.191 4.350 0.014 0.000 0.268 111 T C 2.642 177.313 174.700 -0.048 0.000 1.036 111 T CA 2.060 64.120 62.100 -0.067 0.000 1.147 111 T CB -0.267 68.589 68.868 -0.021 0.000 0.862 111 T HN 0.514 nan 8.240 nan 0.000 0.446 112 S N 1.381 117.033 115.700 -0.081 0.000 2.359 112 S HA -0.109 4.369 4.470 0.014 0.000 0.224 112 S C 2.513 177.104 174.600 -0.016 0.000 1.035 112 S CA 1.278 59.465 58.200 -0.020 0.000 1.018 112 S CB -0.450 62.762 63.200 0.021 0.000 0.876 112 S HN 0.456 nan 8.310 nan 0.000 0.448 113 S N 1.653 117.317 115.700 -0.060 0.000 2.383 113 S HA -0.098 4.380 4.470 0.014 0.000 0.227 113 S C 1.793 176.505 174.600 0.186 0.000 1.026 113 S CA 1.049 59.302 58.200 0.089 0.000 0.981 113 S CB -0.533 62.742 63.200 0.126 0.000 0.818 113 S HN 0.541 nan 8.310 nan 0.000 0.472 114 N N 1.681 120.471 118.700 0.150 0.000 2.043 114 N HA -0.079 4.670 4.740 0.014 0.000 0.193 114 N C 1.669 177.258 175.510 0.132 0.000 1.037 114 N CA 1.756 54.912 53.050 0.177 0.000 0.851 114 N CB -0.310 38.266 38.487 0.149 0.000 1.027 114 N HN 0.359 nan 8.380 nan 0.000 0.422 115 M N -0.152 119.498 119.600 0.084 0.000 2.159 115 M HA -0.142 4.346 4.480 0.014 0.000 0.263 115 M C 2.090 178.421 176.300 0.052 0.000 1.063 115 M CA 1.383 56.720 55.300 0.061 0.000 1.110 115 M CB -0.524 32.101 32.600 0.041 0.000 1.374 115 M HN 0.342 nan 8.290 nan 0.000 0.411 116 N N -0.367 118.360 118.700 0.046 0.000 2.061 116 N HA -0.178 4.570 4.740 0.014 0.000 0.193 116 N C 1.325 176.817 175.510 -0.029 0.000 1.030 116 N CA 1.987 55.022 53.050 -0.024 0.000 0.856 116 N CB 0.118 38.590 38.487 -0.025 0.000 1.023 116 N HN 0.286 nan 8.380 nan 0.000 0.424 117 T N 0.789 115.450 114.554 0.178 0.000 2.708 117 T HA -0.086 4.272 4.350 0.014 0.000 0.266 117 T C 1.518 176.293 174.700 0.125 0.000 1.037 117 T CA 1.119 63.379 62.100 0.268 0.000 1.146 117 T CB -0.423 68.649 68.868 0.340 0.000 0.865 117 T HN 0.311 nan 8.240 nan 0.000 0.435 118 N N 1.234 119.992 118.700 0.098 0.000 2.104 118 N HA -0.087 4.662 4.740 0.014 0.000 0.190 118 N C 1.922 177.448 175.510 0.026 0.000 1.024 118 N CA 1.126 54.216 53.050 0.067 0.000 0.853 118 N CB -0.287 38.239 38.487 0.065 0.000 1.008 118 N HN 0.586 nan 8.380 nan 0.000 0.424 119 E N 0.224 120.430 120.200 0.010 0.000 2.072 119 E HA -0.062 4.296 4.350 0.014 0.000 0.191 119 E C 1.993 178.572 176.600 -0.036 0.000 0.985 119 E CA 0.679 57.071 56.400 -0.012 0.000 0.801 119 E CB 0.056 29.765 29.700 0.015 0.000 0.750 119 E HN 0.051 nan 8.360 nan 0.000 0.452 120 V N 1.573 121.451 119.914 -0.061 0.000 2.343 120 V HA -0.261 3.867 4.120 0.014 0.000 0.247 120 V C 2.246 178.288 176.094 -0.087 0.000 1.051 120 V CA 1.496 63.729 62.300 -0.112 0.000 1.036 120 V CB -0.366 31.328 31.823 -0.215 0.000 0.654 120 V HN 0.270 nan 8.190 nan 0.000 0.451 121 I N 0.288 120.844 120.570 -0.024 0.000 2.179 121 I HA -0.255 3.923 4.170 0.014 0.000 0.242 121 I C 2.683 178.788 176.117 -0.019 0.000 1.088 121 I CA 1.481 62.778 61.300 -0.005 0.000 1.357 121 I CB -0.592 37.433 38.000 0.042 0.000 1.051 121 I HN 0.302 nan 8.210 nan 0.000 0.409 122 A N 0.192 123.000 122.820 -0.020 0.000 1.883 122 A HA -0.232 4.097 4.320 0.014 0.000 0.217 122 A C 2.486 180.045 177.584 -0.042 0.000 1.186 122 A CA 2.398 54.419 52.037 -0.026 0.000 0.624 122 A CB -0.828 18.148 19.000 -0.040 0.000 0.822 122 A HN 0.406 nan 8.150 nan 0.000 0.444 123 S N -0.149 115.513 115.700 -0.063 0.000 2.356 123 S HA -0.137 4.341 4.470 0.014 0.000 0.223 123 S C 1.814 176.371 174.600 -0.071 0.000 1.032 123 S CA 1.571 59.725 58.200 -0.077 0.000 1.005 123 S CB -0.544 62.591 63.200 -0.108 0.000 0.867 123 S HN 0.543 nan 8.310 nan 0.000 0.449 124 I N 1.842 122.362 120.570 -0.084 0.000 2.179 124 I HA -0.233 3.946 4.170 0.014 0.000 0.242 124 I C 2.738 178.841 176.117 -0.024 0.000 1.088 124 I CA 1.154 62.415 61.300 -0.065 0.000 1.357 124 I CB -0.581 37.366 38.000 -0.089 0.000 1.051 124 I HN 0.262 nan 8.210 nan 0.000 0.409 125 A N 1.050 123.860 122.820 -0.016 0.000 1.908 125 A HA -0.176 4.153 4.320 0.014 0.000 0.218 125 A C 2.455 180.036 177.584 -0.005 0.000 1.181 125 A CA 2.120 54.157 52.037 -0.001 0.000 0.627 125 A CB -1.553 17.450 19.000 0.005 0.000 0.818 125 A HN 0.481 nan 8.150 nan 0.000 0.445 126 G N -0.678 108.112 108.800 -0.016 0.000 2.418 126 G HA2 0.017 3.986 3.960 0.014 0.000 0.217 126 G HA3 0.017 3.986 3.960 0.014 0.000 0.217 126 G C 1.637 176.527 174.900 -0.016 0.000 1.158 126 G CA 1.310 46.400 45.100 -0.018 0.000 0.771 126 G HN 0.906 nan 8.290 nan 0.000 0.545 127 A N 0.399 123.208 122.820 -0.020 0.000 2.168 127 A HA 0.073 4.401 4.320 0.014 0.000 0.215 127 A C 1.832 179.414 177.584 -0.003 0.000 1.152 127 A CA 0.968 52.996 52.037 -0.014 0.000 0.716 127 A CB -0.134 18.856 19.000 -0.018 0.000 0.794 127 A HN 0.325 nan 8.150 nan 0.000 0.465 128 N N -0.704 117.996 118.700 0.000 0.000 2.235 128 N HA 0.198 4.946 4.740 0.014 0.000 0.209 128 N C 0.961 176.475 175.510 0.005 0.000 1.122 128 N CA 0.860 53.914 53.050 0.007 0.000 0.845 128 N CB 0.705 39.200 38.487 0.013 0.000 1.004 128 N HN 0.554 nan 8.380 nan 0.000 0.499 129 G N -0.014 108.787 108.800 0.001 0.000 2.141 129 G HA2 -0.244 3.724 3.960 0.014 0.000 0.242 129 G HA3 -0.244 3.724 3.960 0.014 0.000 0.242 129 G C -0.261 174.641 174.900 0.004 0.000 0.982 129 G CA 0.083 45.184 45.100 0.002 0.000 0.662 129 G HN 0.169 nan 8.290 nan 0.000 0.527 130 V N 0.738 120.656 119.914 0.005 0.000 2.378 130 V HA 0.783 4.912 4.120 0.014 0.000 0.288 130 V C 0.630 176.729 176.094 0.009 0.000 1.016 130 V CA -0.537 61.768 62.300 0.009 0.000 0.840 130 V CB 1.457 33.288 31.823 0.014 0.000 0.994 130 V HN 1.141 nan 8.190 nan 0.000 0.431 131 A N 5.321 128.148 122.820 0.012 0.000 2.404 131 A HA 0.710 5.039 4.320 0.014 0.000 0.273 131 A C -0.077 177.524 177.584 0.028 0.000 1.144 131 A CA -0.203 51.843 52.037 0.015 0.000 0.806 131 A CB 0.445 19.455 19.000 0.017 0.000 1.080 131 A HN 1.492 nan 8.150 nan 0.000 0.509 132 V N 1.064 120.995 119.914 0.030 0.000 2.876 132 V HA 0.518 4.646 4.120 0.014 0.000 0.312 132 V C -0.284 175.851 176.094 0.069 0.000 1.085 132 V CA -0.937 61.396 62.300 0.055 0.000 0.945 132 V CB 1.733 33.585 31.823 0.048 0.000 1.017 132 V HN 0.895 nan 8.190 nan 0.000 0.428 133 H N 5.346 124.420 119.070 0.008 0.000 2.620 133 H HA 0.426 4.990 4.556 0.014 0.000 0.313 133 H C -1.950 173.386 175.328 0.013 0.000 1.075 133 H CA -1.583 54.470 56.048 0.008 0.000 1.397 133 H CB 2.498 32.264 29.762 0.006 0.000 1.446 133 H HN 0.549 nan 8.280 nan 0.000 0.493 134 P HA -0.194 nan 4.420 nan 0.000 0.215 134 P C 1.232 178.607 177.300 0.124 0.000 1.153 134 P CA 1.229 64.330 63.100 0.002 0.000 0.853 134 P CB 0.541 32.200 31.700 -0.069 0.000 0.788 135 N N -0.494 118.372 118.700 0.276 0.000 2.182 135 N HA -0.102 4.646 4.740 0.014 0.000 0.186 135 N C 1.202 176.830 175.510 0.197 0.000 1.036 135 N CA 1.041 54.245 53.050 0.256 0.000 0.850 135 N CB -0.107 38.529 38.487 0.249 0.000 1.010 135 N HN -0.128 nan 8.380 nan 0.000 0.432 136 D N 0.632 121.151 120.400 0.199 0.000 2.178 136 D HA -0.085 4.564 4.640 0.014 0.000 0.202 136 D C 0.954 177.264 176.300 0.016 0.000 0.974 136 D CA 1.037 55.001 54.000 -0.060 0.000 0.841 136 D CB -0.102 40.491 40.800 -0.345 0.000 0.953 136 D HN 0.376 nan 8.370 nan 0.000 0.478 137 D N -0.443 120.015 120.400 0.096 0.000 2.735 137 D HA 0.017 4.665 4.640 0.014 0.000 0.267 137 D C 2.348 178.694 176.300 0.076 0.000 1.081 137 D CA 0.258 54.303 54.000 0.074 0.000 0.980 137 D CB -0.167 40.685 40.800 0.087 0.000 1.129 137 D HN -0.020 nan 8.370 nan 0.000 0.459 138 V N 1.362 121.330 119.914 0.090 0.000 2.407 138 V HA -0.165 3.963 4.120 0.014 0.000 0.248 138 V C 1.617 177.763 176.094 0.087 0.000 1.055 138 V CA 1.451 63.801 62.300 0.083 0.000 1.049 138 V CB -0.553 31.315 31.823 0.075 0.000 0.662 138 V HN 0.082 nan 8.190 nan 0.000 0.455 139 N N -0.663 118.088 118.700 0.084 0.000 2.268 139 N HA 0.157 4.906 4.740 0.014 0.000 0.204 139 N C 0.545 176.075 175.510 0.034 0.000 1.124 139 N CA -0.096 52.997 53.050 0.072 0.000 0.838 139 N CB -0.102 38.429 38.487 0.074 0.000 0.994 139 N HN 0.443 nan 8.380 nan 0.000 0.489 140 M N 0.467 120.081 119.600 0.023 0.000 2.261 140 M HA -0.090 4.398 4.480 0.014 0.000 0.350 140 M C 0.099 176.320 176.300 -0.131 0.000 1.343 140 M CA 0.878 56.155 55.300 -0.038 0.000 1.003 140 M CB 0.143 32.731 32.600 -0.021 0.000 1.848 140 M HN 0.280 nan 8.290 nan 0.000 0.456 141 S N 1.137 116.698 115.700 -0.232 0.000 3.084 141 S HA -0.195 4.283 4.470 0.014 0.000 0.277 141 S C -0.396 173.984 174.600 -0.368 0.000 1.295 141 S CA 1.300 59.208 58.200 -0.485 0.000 1.170 141 S CB -1.346 61.176 63.200 -1.130 0.000 1.412 141 S HN 0.915 nan 8.310 nan 0.000 0.669 142 Q N 0.147 119.867 119.800 -0.133 0.000 2.416 142 Q HA 0.760 5.108 4.340 0.014 0.000 0.279 142 Q C -0.309 175.694 176.000 0.005 0.000 1.101 142 Q CA -0.375 55.423 55.803 -0.009 0.000 0.830 142 Q CB 2.160 30.941 28.738 0.071 0.000 1.402 142 Q HN 0.260 nan 8.270 nan 0.000 0.445 143 S N -0.827 114.895 115.700 0.036 0.000 2.634 143 S HA 0.294 4.772 4.470 0.014 0.000 0.296 143 S C 0.668 175.309 174.600 0.068 0.000 1.104 143 S CA -0.047 58.178 58.200 0.041 0.000 0.920 143 S CB 1.609 64.828 63.200 0.032 0.000 1.111 143 S HN 0.721 nan 8.310 nan 0.000 0.493 144 S N 2.414 118.156 115.700 0.070 0.000 2.423 144 S HA -0.106 4.372 4.470 0.014 0.000 0.231 144 S C 1.202 175.868 174.600 0.110 0.000 1.014 144 S CA 1.334 59.590 58.200 0.094 0.000 0.965 144 S CB -0.824 62.416 63.200 0.067 0.000 0.785 144 S HN 0.743 nan 8.310 nan 0.000 0.495 145 N N 2.604 121.353 118.700 0.081 0.000 2.381 145 N HA -0.059 4.690 4.740 0.014 0.000 0.182 145 N C 1.190 176.751 175.510 0.085 0.000 1.025 145 N CA 1.519 54.619 53.050 0.083 0.000 0.888 145 N CB -0.388 38.138 38.487 0.065 0.000 0.965 145 N HN 0.853 nan 8.380 nan 0.000 0.438 146 D N -0.954 119.491 120.400 0.075 0.000 2.392 146 D HA -0.005 4.643 4.640 0.014 0.000 0.206 146 D C 1.505 177.851 176.300 0.077 0.000 1.046 146 D CA 0.681 54.716 54.000 0.060 0.000 0.865 146 D CB -0.597 40.227 40.800 0.040 0.000 0.969 146 D HN 0.212 nan 8.370 nan 0.000 0.509 147 T N -1.450 113.170 114.554 0.108 0.000 2.770 147 T HA -0.046 4.313 4.350 0.014 0.000 0.258 147 T C 1.897 176.666 174.700 0.115 0.000 1.039 147 T CA 0.423 62.591 62.100 0.113 0.000 1.143 147 T CB -1.032 67.917 68.868 0.134 0.000 0.866 147 T HN 0.036 nan 8.240 nan 0.000 0.428 148 F N 4.215 124.190 119.950 0.041 0.000 2.102 148 F HA 0.069 4.604 4.527 0.014 0.000 0.298 148 F C -0.784 175.047 175.800 0.052 0.000 1.105 148 F CA 0.717 58.739 58.000 0.037 0.000 1.239 148 F CB -0.882 38.133 39.000 0.025 0.000 0.991 148 F HN 0.146 nan 8.300 nan 0.000 0.474 149 P HA -0.103 nan 4.420 nan 0.000 0.218 149 P C 1.573 178.900 177.300 0.045 0.000 1.149 149 P CA 1.807 64.961 63.100 0.090 0.000 0.817 149 P CB -0.332 31.442 31.700 0.123 0.000 0.785 150 T N 0.413 114.962 114.554 -0.008 0.000 2.708 150 T HA -0.105 4.253 4.350 0.014 0.000 0.266 150 T C 2.053 176.722 174.700 -0.050 0.000 1.037 150 T CA 1.872 63.958 62.100 -0.024 0.000 1.146 150 T CB -0.888 67.969 68.868 -0.019 0.000 0.865 150 T HN 0.070 nan 8.240 nan 0.000 0.435 151 A N 1.133 123.876 122.820 -0.128 0.000 1.940 151 A HA -0.141 4.187 4.320 0.014 0.000 0.219 151 A C 2.536 179.978 177.584 -0.237 0.000 1.176 151 A CA 2.117 54.040 52.037 -0.190 0.000 0.631 151 A CB -1.238 17.612 19.000 -0.250 0.000 0.814 151 A HN 0.481 nan 8.150 nan 0.000 0.446 152 T N -1.004 113.364 114.554 -0.309 0.000 2.708 152 T HA -0.135 4.223 4.350 0.014 0.000 0.266 152 T C 1.784 176.394 174.700 -0.149 0.000 1.037 152 T CA 1.504 63.444 62.100 -0.267 0.000 1.146 152 T CB -0.447 68.275 68.868 -0.242 0.000 0.865 152 T HN 0.654 nan 8.240 nan 0.000 0.435 153 H N 0.087 119.084 119.070 -0.120 0.000 2.470 153 H HA 0.149 4.713 4.556 0.014 0.000 0.289 153 H C 2.323 177.599 175.328 -0.087 0.000 1.033 153 H CA 0.802 56.806 56.048 -0.074 0.000 1.331 153 H CB -0.041 29.692 29.762 -0.048 0.000 1.414 153 H HN 0.328 nan 8.280 nan 0.000 0.545 154 I N 0.802 121.375 120.570 0.004 0.000 2.142 154 I HA -0.258 3.920 4.170 0.014 0.000 0.240 154 I C 2.868 178.931 176.117 -0.089 0.000 1.078 154 I CA 1.087 62.360 61.300 -0.045 0.000 1.343 154 I CB -0.278 37.688 38.000 -0.058 0.000 1.046 154 I HN 0.161 nan 8.210 nan 0.000 0.405 155 A N 0.633 123.382 122.820 -0.119 0.000 1.902 155 A HA -0.150 4.179 4.320 0.014 0.000 0.217 155 A C 2.513 179.979 177.584 -0.197 0.000 1.181 155 A CA 1.890 53.838 52.037 -0.148 0.000 0.623 155 A CB -0.836 18.070 19.000 -0.157 0.000 0.818 155 A HN 0.447 nan 8.150 nan 0.000 0.443 156 A N -1.204 121.498 122.820 -0.198 0.000 1.930 156 A HA -0.030 4.298 4.320 0.014 0.000 0.217 156 A C 2.279 179.633 177.584 -0.384 0.000 1.175 156 A CA 2.148 54.018 52.037 -0.277 0.000 0.627 156 A CB -1.069 17.863 19.000 -0.113 0.000 0.815 156 A HN 0.422 nan 8.150 nan 0.000 0.443 157 T N -0.594 113.840 114.554 -0.200 0.000 2.777 157 T HA -0.113 4.245 4.350 0.014 0.000 0.266 157 T C 1.855 176.448 174.700 -0.178 0.000 1.040 157 T CA 1.460 63.470 62.100 -0.150 0.000 1.141 157 T CB -0.172 68.662 68.868 -0.057 0.000 0.868 157 T HN 0.713 nan 8.240 nan 0.000 0.444 158 E N 1.021 121.129 120.200 -0.154 0.000 2.085 158 E HA -0.139 4.220 4.350 0.014 0.000 0.194 158 E C 2.353 178.897 176.600 -0.093 0.000 0.994 158 E CA 1.102 57.443 56.400 -0.099 0.000 0.801 158 E CB -0.230 29.437 29.700 -0.055 0.000 0.743 158 E HN 0.460 nan 8.360 nan 0.000 0.453 159 A N 1.144 123.801 122.820 -0.272 0.000 1.877 159 A HA -0.129 4.200 4.320 0.014 0.000 0.216 159 A C 2.421 179.730 177.584 -0.459 0.000 1.186 159 A CA 1.970 53.780 52.037 -0.378 0.000 0.620 159 A CB -0.946 17.610 19.000 -0.741 0.000 0.822 159 A HN 0.434 nan 8.150 nan 0.000 0.443 160 A N -0.771 121.613 122.820 -0.727 0.000 1.858 160 A HA -0.004 4.324 4.320 0.014 0.000 0.216 160 A C 2.254 179.782 177.584 -0.093 0.000 1.190 160 A CA 1.998 53.849 52.037 -0.311 0.000 0.617 160 A CB -0.908 18.001 19.000 -0.153 0.000 0.827 160 A HN 0.418 nan 8.150 nan 0.000 0.443 161 V N -0.781 119.066 119.914 -0.111 0.000 2.446 161 V HA -0.087 4.041 4.120 0.014 0.000 0.244 161 V C 2.456 178.487 176.094 -0.105 0.000 1.039 161 V CA 2.141 64.396 62.300 -0.075 0.000 1.045 161 V CB -0.251 31.529 31.823 -0.071 0.000 0.681 161 V HN 0.508 nan 8.190 nan 0.000 0.459 162 S N -1.972 113.633 115.700 -0.159 0.000 2.517 162 S HA 0.104 4.582 4.470 0.014 0.000 0.214 162 S C 1.456 175.702 174.600 -0.589 0.000 0.991 162 S CA 0.139 58.135 58.200 -0.341 0.000 0.906 162 S CB 0.014 62.981 63.200 -0.388 0.000 0.789 162 S HN 0.656 nan 8.310 nan 0.000 0.513 163 H N -0.661 118.373 119.070 -0.059 0.000 2.179 163 H HA 0.290 4.854 4.556 0.014 0.000 0.246 163 H C 1.772 177.107 175.328 0.011 0.000 0.904 163 H CA 0.118 56.148 56.048 -0.029 0.000 1.113 163 H CB -0.645 29.091 29.762 -0.043 0.000 1.396 163 H HN 0.172 nan 8.280 nan 0.000 0.484 164 L N 1.624 122.937 121.223 0.150 0.000 2.005 164 L HA -0.008 4.340 4.340 0.014 0.000 0.207 164 L C 2.248 179.181 176.870 0.105 0.000 1.072 164 L CA 1.321 56.261 54.840 0.165 0.000 0.744 164 L CB -0.824 41.413 42.059 0.296 0.000 0.895 164 L HN 0.131 nan 8.230 nan 0.000 0.433 165 I N -0.123 120.491 120.570 0.075 0.000 2.208 165 I HA -0.231 3.947 4.170 0.014 0.000 0.245 165 I C -0.389 175.745 176.117 0.029 0.000 1.097 165 I CA 1.344 62.673 61.300 0.049 0.000 1.363 165 I CB -1.419 36.600 38.000 0.031 0.000 1.051 165 I HN 0.266 nan 8.210 nan 0.000 0.413 166 P HA -0.154 nan 4.420 nan 0.000 0.217 166 P C 1.412 178.724 177.300 0.021 0.000 1.150 166 P CA 1.686 64.785 63.100 -0.002 0.000 0.832 166 P CB 0.001 31.679 31.700 -0.036 0.000 0.787 167 A N -0.705 122.141 122.820 0.043 0.000 1.930 167 A HA -0.124 4.205 4.320 0.014 0.000 0.217 167 A C 2.151 179.770 177.584 0.059 0.000 1.175 167 A CA 1.228 53.299 52.037 0.057 0.000 0.627 167 A CB -1.576 17.472 19.000 0.079 0.000 0.815 167 A HN 0.105 nan 8.150 nan 0.000 0.443 168 L N -0.658 120.602 121.223 0.062 0.000 2.083 168 L HA -0.203 4.146 4.340 0.014 0.000 0.209 168 L C 2.521 179.419 176.870 0.046 0.000 1.083 168 L CA 1.537 56.414 54.840 0.061 0.000 0.752 168 L CB -0.623 41.473 42.059 0.063 0.000 0.899 168 L HN 0.466 nan 8.230 nan 0.000 0.433 169 E N 0.393 120.614 120.200 0.034 0.000 2.077 169 E HA -0.223 4.135 4.350 0.014 0.000 0.193 169 E C 2.281 178.892 176.600 0.018 0.000 0.989 169 E CA 1.204 57.617 56.400 0.022 0.000 0.800 169 E CB -0.109 29.598 29.700 0.012 0.000 0.746 169 E HN 0.470 nan 8.360 nan 0.000 0.452 170 I N 0.637 121.218 120.570 0.019 0.000 2.226 170 I HA -0.260 3.918 4.170 0.014 0.000 0.245 170 I C 2.411 178.535 176.117 0.012 0.000 1.100 170 I CA 0.575 61.883 61.300 0.013 0.000 1.374 170 I CB -0.112 37.899 38.000 0.017 0.000 1.057 170 I HN 0.150 nan 8.210 nan 0.000 0.413 171 L N 0.561 121.802 121.223 0.029 0.000 2.027 171 L HA -0.250 4.098 4.340 0.014 0.000 0.206 171 L C 2.541 179.426 176.870 0.025 0.000 1.074 171 L CA 1.852 56.708 54.840 0.027 0.000 0.745 171 L CB -0.863 41.239 42.059 0.073 0.000 0.898 171 L HN 0.263 nan 8.230 nan 0.000 0.433 172 Q N -0.728 119.094 119.800 0.037 0.000 2.096 172 Q HA -0.306 4.042 4.340 0.014 0.000 0.204 172 Q C 1.940 177.955 176.000 0.026 0.000 0.982 172 Q CA 2.312 58.138 55.803 0.040 0.000 0.850 172 Q CB -0.249 28.512 28.738 0.038 0.000 0.901 172 Q HN 0.737 nan 8.270 nan 0.000 0.422 173 D N -0.430 119.976 120.400 0.010 0.000 2.104 173 D HA -0.169 4.480 4.640 0.014 0.000 0.194 173 D C 1.758 178.045 176.300 -0.021 0.000 0.994 173 D CA 1.787 55.783 54.000 -0.006 0.000 0.830 173 D CB -0.168 40.624 40.800 -0.013 0.000 0.959 173 D HN 0.377 nan 8.370 nan 0.000 0.452 174 A N 0.046 122.850 122.820 -0.028 0.000 1.877 174 A HA -0.076 4.253 4.320 0.014 0.000 0.216 174 A C 2.421 179.981 177.584 -0.041 0.000 1.186 174 A CA 1.228 53.230 52.037 -0.059 0.000 0.620 174 A CB -0.906 18.047 19.000 -0.078 0.000 0.822 174 A HN 0.377 nan 8.150 nan 0.000 0.443 175 L N -0.728 120.515 121.223 0.033 0.000 2.017 175 L HA -0.203 4.145 4.340 0.014 0.000 0.208 175 L C 3.095 180.041 176.870 0.127 0.000 1.073 175 L CA 1.181 56.124 54.840 0.172 0.000 0.745 175 L CB -0.558 41.618 42.059 0.195 0.000 0.894 175 L HN 0.428 nan 8.230 nan 0.000 0.432 176 A N -0.615 122.238 122.820 0.054 0.000 1.933 176 A HA -0.189 4.139 4.320 0.014 0.000 0.218 176 A C 2.366 179.932 177.584 -0.030 0.000 1.175 176 A CA 2.231 54.282 52.037 0.024 0.000 0.628 176 A CB -0.895 18.113 19.000 0.013 0.000 0.814 176 A HN 0.389 nan 8.150 nan 0.000 0.444 177 T N 0.088 114.601 114.554 -0.069 0.000 2.684 177 T HA -0.133 4.226 4.350 0.014 0.000 0.267 177 T C 1.998 176.556 174.700 -0.238 0.000 1.036 177 T CA 1.562 63.584 62.100 -0.131 0.000 1.148 177 T CB -0.152 68.636 68.868 -0.134 0.000 0.863 177 T HN 0.318 nan 8.240 nan 0.000 0.436 178 K N 1.306 121.509 120.400 -0.328 0.000 2.097 178 K HA 0.103 4.432 4.320 0.014 0.000 0.206 178 K C 2.576 178.935 176.600 -0.400 0.000 1.049 178 K CA 1.189 57.078 56.287 -0.662 0.000 0.933 178 K CB -0.765 31.148 32.500 -0.979 0.000 0.717 178 K HN 0.368 nan 8.250 nan 0.000 0.442 179 A N 1.177 123.943 122.820 -0.090 0.000 1.940 179 A HA -0.167 4.162 4.320 0.014 0.000 0.219 179 A C 2.169 179.758 177.584 0.009 0.000 1.176 179 A CA 1.318 53.386 52.037 0.052 0.000 0.631 179 A CB -0.424 18.630 19.000 0.089 0.000 0.814 179 A HN 0.231 nan 8.150 nan 0.000 0.446 180 L N -0.256 120.936 121.223 -0.051 0.000 2.068 180 L HA -0.006 4.342 4.340 0.014 0.000 0.204 180 L C 2.243 179.087 176.870 -0.045 0.000 1.076 180 L CA 2.451 57.269 54.840 -0.036 0.000 0.753 180 L CB -0.656 41.374 42.059 -0.048 0.000 0.910 180 L HN 0.570 nan 8.230 nan 0.000 0.439 181 E N -1.247 118.866 120.200 -0.145 0.000 2.118 181 E HA -0.250 4.108 4.350 0.014 0.000 0.195 181 E C 0.815 177.447 176.600 0.053 0.000 0.992 181 E CA 1.336 57.642 56.400 -0.156 0.000 0.804 181 E CB -0.122 29.322 29.700 -0.427 0.000 0.741 181 E HN 0.563 nan 8.360 nan 0.000 0.458 182 W N 1.739 122.987 121.300 -0.086 0.000 3.194 182 W HA 0.135 4.805 4.660 0.015 0.000 0.408 182 W C 1.534 178.030 176.519 -0.040 0.000 1.072 182 W CA -0.266 57.032 57.345 -0.077 0.000 1.953 182 W CB -0.312 29.068 29.460 -0.133 0.000 1.091 182 W HN 0.314 nan 8.180 nan 0.000 0.699 183 Q N -0.506 119.390 119.800 0.161 0.000 2.234 183 Q HA -0.148 4.201 4.340 0.014 0.000 0.206 183 Q C 0.827 176.872 176.000 0.076 0.000 0.980 183 Q CA 1.879 57.740 55.803 0.097 0.000 0.869 183 Q CB -0.441 28.331 28.738 0.057 0.000 0.912 183 Q HN -0.050 nan 8.270 nan 0.000 0.436 184 S N 0.203 115.948 115.700 0.076 0.000 2.593 184 S HA 0.220 4.699 4.470 0.014 0.000 0.236 184 S C -0.098 174.515 174.600 0.022 0.000 0.991 184 S CA -0.439 57.786 58.200 0.042 0.000 0.963 184 S CB 1.159 64.379 63.200 0.034 0.000 0.865 184 S HN 0.144 nan 8.310 nan 0.000 0.488 185 V N 2.952 122.879 119.914 0.021 0.000 2.229 185 V HA 0.183 4.312 4.120 0.014 0.000 0.245 185 V C 0.453 176.511 176.094 -0.060 0.000 1.243 185 V CA -0.259 62.005 62.300 -0.061 0.000 1.176 185 V CB 0.064 31.765 31.823 -0.205 0.000 1.323 185 V HN 0.261 nan 8.190 nan 0.000 0.499 186 V N 6.535 126.423 119.914 -0.042 0.000 2.715 186 V HA 0.465 4.593 4.120 0.014 0.000 0.299 186 V C 0.257 176.318 176.094 -0.056 0.000 1.054 186 V CA 0.117 62.395 62.300 -0.035 0.000 1.077 186 V CB 1.146 32.954 31.823 -0.024 0.000 0.972 186 V HN 1.032 nan 8.190 nan 0.000 0.484 187 K N 3.297 123.669 120.400 -0.046 0.000 2.533 187 K HA 0.575 4.903 4.320 0.014 0.000 0.284 187 K C -0.993 175.584 176.600 -0.038 0.000 1.025 187 K CA -0.804 55.450 56.287 -0.055 0.000 0.900 187 K CB 1.457 33.924 32.500 -0.056 0.000 1.519 187 K HN 0.368 nan 8.250 nan 0.000 0.432 188 S N 0.344 116.018 115.700 -0.042 0.000 2.565 188 S HA 0.353 4.832 4.470 0.014 0.000 0.276 188 S C 0.346 174.937 174.600 -0.015 0.000 1.326 188 S CA -0.289 57.894 58.200 -0.028 0.000 1.045 188 S CB 0.930 64.111 63.200 -0.032 0.000 0.918 188 S HN 0.670 nan 8.310 nan 0.000 0.505 189 G N 1.883 110.677 108.800 -0.010 0.000 2.667 189 G HA2 0.399 4.367 3.960 0.014 0.000 0.250 189 G HA3 0.399 4.367 3.960 0.014 0.000 0.250 189 G C -0.491 174.405 174.900 -0.007 0.000 1.212 189 G CA -0.543 44.554 45.100 -0.005 0.000 0.874 189 G HN 0.641 nan 8.290 nan 0.000 0.561 190 R N -0.436 120.059 120.500 -0.008 0.000 2.538 190 R HA 0.520 4.868 4.340 0.014 0.000 0.292 190 R C -0.826 175.460 176.300 -0.023 0.000 1.008 190 R CA -0.603 55.487 56.100 -0.015 0.000 0.896 190 R CB 2.204 32.486 30.300 -0.031 0.000 1.187 190 R HN 0.726 nan 8.270 nan 0.000 0.440 191 T N -1.086 113.466 114.554 -0.003 0.000 2.886 191 T HA 0.286 4.645 4.350 0.014 0.000 0.292 191 T C 0.260 174.987 174.700 0.046 0.000 1.012 191 T CA -0.775 61.303 62.100 -0.036 0.000 0.982 191 T CB 1.056 69.924 68.868 0.000 0.000 1.018 191 T HN 0.852 nan 8.240 nan 0.000 0.451 192 H N 2.087 121.132 119.070 -0.041 0.000 3.047 192 H HA -0.163 4.401 4.556 0.013 0.000 0.263 192 H C 0.920 176.207 175.328 -0.068 0.000 1.168 192 H CA 0.846 56.866 56.048 -0.048 0.000 1.152 192 H CB -1.620 28.120 29.762 -0.037 0.000 1.278 192 H HN 0.886 nan 8.280 nan 0.000 0.339 193 L N -3.834 117.380 121.223 -0.015 0.000 4.937 193 L HA -0.260 4.088 4.340 0.014 0.000 0.422 193 L C 0.220 177.067 176.870 -0.038 0.000 1.059 193 L CA 0.991 55.788 54.840 -0.072 0.000 1.111 193 L CB -1.138 40.847 42.059 -0.124 0.000 2.033 193 L HN 0.113 nan 8.230 nan 0.000 0.708 194 M N -0.139 119.469 119.600 0.013 0.000 2.537 194 M HA 0.419 4.907 4.480 0.014 0.000 0.324 194 M C 0.294 176.598 176.300 0.007 0.000 1.187 194 M CA -0.625 54.680 55.300 0.008 0.000 0.993 194 M CB 0.753 33.364 32.600 0.019 0.000 1.666 194 M HN -0.125 nan 8.290 nan 0.000 0.461 195 D N 1.818 122.216 120.400 -0.003 0.000 2.571 195 D HA 0.344 4.992 4.640 0.014 0.000 0.231 195 D C -0.253 176.050 176.300 0.004 0.000 1.133 195 D CA 0.624 54.622 54.000 -0.004 0.000 0.862 195 D CB 0.454 41.250 40.800 -0.008 0.000 1.179 195 D HN 0.668 nan 8.370 nan 0.000 0.474 196 A N 1.427 124.248 122.820 0.001 0.000 2.564 196 A HA 0.650 4.978 4.320 0.014 0.000 0.288 196 A C -0.152 177.431 177.584 -0.002 0.000 1.164 196 A CA -0.758 51.282 52.037 0.005 0.000 0.712 196 A CB 0.783 19.790 19.000 0.010 0.000 1.303 196 A HN 0.415 nan 8.150 nan 0.000 0.418 197 V N -1.944 117.970 119.914 -0.000 0.000 3.287 197 V HA 0.397 4.525 4.120 0.014 0.000 0.306 197 V C -2.517 173.574 176.094 -0.007 0.000 1.103 197 V CA -1.233 61.065 62.300 -0.003 0.000 1.159 197 V CB -0.691 31.131 31.823 -0.001 0.000 1.036 197 V HN 0.656 nan 8.190 nan 0.000 0.487 198 P HA 0.380 nan 4.420 nan 0.000 0.269 198 P C -0.372 176.924 177.300 -0.007 0.000 1.209 198 P CA 0.193 63.286 63.100 -0.011 0.000 0.776 198 P CB 0.842 32.535 31.700 -0.012 0.000 0.876 199 V N -1.229 118.681 119.914 -0.007 0.000 3.165 199 V HA 0.870 4.998 4.120 0.014 0.000 0.309 199 V C -0.497 175.598 176.094 0.003 0.000 1.267 199 V CA -0.840 61.459 62.300 -0.001 0.000 1.067 199 V CB 1.669 33.492 31.823 -0.000 0.000 1.082 199 V HN 0.602 nan 8.190 nan 0.000 0.451 200 T N -1.350 113.214 114.554 0.017 0.000 2.918 200 T HA 0.595 4.953 4.350 0.014 0.000 0.286 200 T C 0.901 175.640 174.700 0.066 0.000 1.026 200 T CA -0.559 61.558 62.100 0.029 0.000 1.031 200 T CB 1.570 70.465 68.868 0.044 0.000 1.046 200 T HN 0.720 nan 8.240 nan 0.000 0.479 201 L N 1.514 122.775 121.223 0.064 0.000 2.081 201 L HA -0.012 4.336 4.340 0.014 0.000 0.212 201 L C 2.881 179.960 176.870 0.349 0.000 1.080 201 L CA 1.837 56.785 54.840 0.181 0.000 0.754 201 L CB -0.905 41.135 42.059 -0.032 0.000 0.893 201 L HN 1.038 nan 8.230 nan 0.000 0.433 202 G N -1.046 107.915 108.800 0.267 0.000 2.418 202 G HA2 -0.270 3.698 3.960 0.014 0.000 0.217 202 G HA3 -0.270 3.698 3.960 0.014 0.000 0.217 202 G C 1.447 176.442 174.900 0.159 0.000 1.158 202 G CA 0.422 45.666 45.100 0.240 0.000 0.771 202 G HN 0.398 nan 8.290 nan 0.000 0.545 203 Q N 0.075 119.930 119.800 0.091 0.000 2.096 203 Q HA -0.116 4.232 4.340 0.014 0.000 0.204 203 Q C 2.513 178.486 176.000 -0.045 0.000 0.982 203 Q CA 1.537 57.354 55.803 0.024 0.000 0.850 203 Q CB -0.147 28.596 28.738 0.008 0.000 0.901 203 Q HN 0.614 nan 8.270 nan 0.000 0.422 204 E N -0.004 120.167 120.200 -0.048 0.000 2.051 204 E HA -0.165 4.194 4.350 0.014 0.000 0.192 204 E C 1.712 177.852 176.600 -0.767 0.000 0.991 204 E CA 0.917 57.126 56.400 -0.319 0.000 0.799 204 E CB -0.142 29.456 29.700 -0.170 0.000 0.748 204 E HN 0.304 nan 8.360 nan 0.000 0.449 205 F N 1.178 120.889 119.950 -0.399 0.000 2.269 205 F HA -0.196 4.338 4.527 0.013 0.000 0.301 205 F C 2.827 178.527 175.800 -0.166 0.000 1.082 205 F CA 1.266 59.115 58.000 -0.251 0.000 1.360 205 F CB -0.190 38.848 39.000 0.064 0.000 1.041 205 F HN 0.036 nan 8.300 nan 0.000 0.512 206 S N -0.342 115.356 115.700 -0.003 0.000 2.402 206 S HA -0.088 4.391 4.470 0.014 0.000 0.229 206 S C 2.349 176.912 174.600 -0.061 0.000 1.021 206 S CA 1.087 59.284 58.200 -0.006 0.000 0.974 206 S CB -1.187 62.016 63.200 0.004 0.000 0.800 206 S HN 0.336 nan 8.310 nan 0.000 0.484 207 G N 0.344 109.037 108.800 -0.179 0.000 2.402 207 G HA2 -0.071 3.897 3.960 0.014 0.000 0.216 207 G HA3 -0.071 3.897 3.960 0.014 0.000 0.216 207 G C 1.217 176.088 174.900 -0.048 0.000 1.162 207 G CA 0.845 45.857 45.100 -0.145 0.000 0.777 207 G HN 0.574 nan 8.290 nan 0.000 0.539 208 Y N 1.405 121.667 120.300 -0.063 0.000 2.181 208 Y HA 0.070 4.628 4.550 0.013 0.000 0.288 208 Y C 3.112 179.001 175.900 -0.019 0.000 1.146 208 Y CA 0.088 58.141 58.100 -0.078 0.000 1.164 208 Y CB -1.218 37.121 38.460 -0.201 0.000 0.982 208 Y HN 0.260 nan 8.280 nan 0.000 0.515 209 A N 0.330 123.233 122.820 0.138 0.000 1.902 209 A HA -0.230 4.098 4.320 0.014 0.000 0.217 209 A C 2.338 179.963 177.584 0.069 0.000 1.181 209 A CA 2.009 54.105 52.037 0.099 0.000 0.623 209 A CB -0.633 18.414 19.000 0.078 0.000 0.818 209 A HN 0.329 nan 8.150 nan 0.000 0.443 210 R N 0.111 120.642 120.500 0.051 0.000 2.081 210 R HA -0.131 4.217 4.340 0.014 0.000 0.235 210 R C 2.163 178.492 176.300 0.048 0.000 1.131 210 R CA 2.169 58.292 56.100 0.039 0.000 0.960 210 R CB -0.743 29.571 30.300 0.023 0.000 0.856 210 R HN 0.676 nan 8.270 nan 0.000 0.436 211 Q N -0.390 119.451 119.800 0.068 0.000 2.135 211 Q HA -0.134 4.215 4.340 0.014 0.000 0.204 211 Q C 1.797 177.833 176.000 0.060 0.000 0.981 211 Q CA 1.457 57.300 55.803 0.066 0.000 0.856 211 Q CB -0.090 28.703 28.738 0.090 0.000 0.902 211 Q HN 0.336 nan 8.270 nan 0.000 0.425 212 I N 0.563 121.176 120.570 0.071 0.000 2.353 212 I HA -0.185 3.994 4.170 0.014 0.000 0.248 212 I C 2.256 178.403 176.117 0.050 0.000 1.119 212 I CA 1.195 62.533 61.300 0.064 0.000 1.417 212 I CB -1.140 36.905 38.000 0.075 0.000 1.078 212 I HN 0.323 nan 8.210 nan 0.000 0.421 213 E N 1.396 121.624 120.200 0.046 0.000 2.085 213 E HA -0.223 4.135 4.350 0.014 0.000 0.194 213 E C 2.285 178.904 176.600 0.032 0.000 0.994 213 E CA 1.596 58.017 56.400 0.035 0.000 0.801 213 E CB 0.095 29.813 29.700 0.031 0.000 0.743 213 E HN 0.412 nan 8.360 nan 0.000 0.453 214 A N 0.639 123.478 122.820 0.032 0.000 1.972 214 A HA -0.079 4.250 4.320 0.014 0.000 0.219 214 A C 2.382 179.983 177.584 0.028 0.000 1.169 214 A CA 1.597 53.650 52.037 0.027 0.000 0.635 214 A CB -1.055 17.960 19.000 0.025 0.000 0.810 214 A HN 0.459 nan 8.150 nan 0.000 0.446 215 G N 0.107 108.926 108.800 0.033 0.000 2.418 215 G HA2 -0.192 3.776 3.960 0.014 0.000 0.217 215 G HA3 -0.192 3.776 3.960 0.014 0.000 0.217 215 G C 1.505 176.427 174.900 0.037 0.000 1.158 215 G CA 1.130 46.249 45.100 0.032 0.000 0.771 215 G HN 0.484 nan 8.290 nan 0.000 0.545 216 I N 0.529 121.123 120.570 0.040 0.000 2.226 216 I HA -0.146 4.032 4.170 0.014 0.000 0.245 216 I C 2.766 178.905 176.117 0.036 0.000 1.100 216 I CA 1.258 62.583 61.300 0.041 0.000 1.374 216 I CB -0.231 37.791 38.000 0.036 0.000 1.057 216 I HN 0.247 nan 8.210 nan 0.000 0.413 217 E N 0.536 120.754 120.200 0.030 0.000 2.085 217 E HA -0.236 4.122 4.350 0.014 0.000 0.194 217 E C 2.334 178.950 176.600 0.027 0.000 0.994 217 E CA 1.081 57.496 56.400 0.025 0.000 0.801 217 E CB -0.107 29.605 29.700 0.021 0.000 0.743 217 E HN 0.416 nan 8.360 nan 0.000 0.453 218 R N 0.372 120.889 120.500 0.027 0.000 2.083 218 R HA -0.133 4.216 4.340 0.014 0.000 0.237 218 R C 2.462 178.783 176.300 0.036 0.000 1.137 218 R CA 1.324 57.439 56.100 0.025 0.000 0.951 218 R CB -0.455 29.856 30.300 0.018 0.000 0.851 218 R HN 0.049 nan 8.270 nan 0.000 0.434 219 V N 0.951 120.894 119.914 0.049 0.000 2.295 219 V HA -0.256 3.873 4.120 0.014 0.000 0.246 219 V C 2.285 178.421 176.094 0.070 0.000 1.049 219 V CA 1.762 64.109 62.300 0.078 0.000 1.024 219 V CB -0.498 31.393 31.823 0.113 0.000 0.648 219 V HN 0.302 nan 8.190 nan 0.000 0.447 220 R N 0.178 120.709 120.500 0.051 0.000 2.105 220 R HA -0.161 4.187 4.340 0.014 0.000 0.239 220 R C 2.356 178.677 176.300 0.035 0.000 1.135 220 R CA 1.512 57.635 56.100 0.039 0.000 0.967 220 R CB -0.607 29.710 30.300 0.027 0.000 0.861 220 R HN 0.544 nan 8.270 nan 0.000 0.442 221 A N 0.544 123.384 122.820 0.033 0.000 2.070 221 A HA -0.143 4.186 4.320 0.014 0.000 0.220 221 A C 2.126 179.730 177.584 0.033 0.000 1.159 221 A CA 1.833 53.887 52.037 0.028 0.000 0.656 221 A CB -0.590 18.424 19.000 0.023 0.000 0.800 221 A HN 0.514 nan 8.150 nan 0.000 0.453 222 T N -2.607 111.974 114.554 0.045 0.000 3.067 222 T HA 0.151 4.510 4.350 0.014 0.000 0.257 222 T C 1.694 176.430 174.700 0.060 0.000 1.105 222 T CA 0.690 62.823 62.100 0.054 0.000 1.104 222 T CB -0.441 68.468 68.868 0.067 0.000 0.925 222 T HN 0.301 nan 8.240 nan 0.000 0.498 223 L N 0.939 122.194 121.223 0.053 0.000 2.079 223 L HA 0.030 4.378 4.340 0.014 0.000 0.210 223 L C -0.399 176.494 176.870 0.039 0.000 1.081 223 L CA 1.206 56.074 54.840 0.046 0.000 0.752 223 L CB -1.637 40.440 42.059 0.030 0.000 0.896 223 L HN 0.241 nan 8.230 nan 0.000 0.433 224 P HA -0.145 nan 4.420 nan 0.000 0.218 224 P C 1.408 178.726 177.300 0.030 0.000 1.148 224 P CA 1.447 64.561 63.100 0.024 0.000 0.822 224 P CB 0.041 31.753 31.700 0.019 0.000 0.784 225 R N -1.884 118.642 120.500 0.044 0.000 2.206 225 R HA 0.143 4.491 4.340 0.014 0.000 0.198 225 R C 2.030 178.391 176.300 0.101 0.000 0.986 225 R CA 0.043 56.175 56.100 0.054 0.000 1.029 225 R CB -0.845 29.485 30.300 0.051 0.000 0.966 225 R HN 0.101 nan 8.270 nan 0.000 0.487 226 L N 0.413 121.706 121.223 0.117 0.000 2.083 226 L HA 0.018 4.366 4.340 0.014 0.000 0.209 226 L C 1.860 178.860 176.870 0.218 0.000 1.083 226 L CA 1.875 56.824 54.840 0.180 0.000 0.752 226 L CB -0.626 41.503 42.059 0.118 0.000 0.899 226 L HN 0.180 nan 8.230 nan 0.000 0.433 227 G N -1.318 107.544 108.800 0.104 0.000 2.744 227 G HA2 -0.085 3.883 3.960 0.014 0.000 0.211 227 G HA3 -0.085 3.883 3.960 0.014 0.000 0.211 227 G C 0.455 175.371 174.900 0.026 0.000 1.143 227 G CA -0.277 44.860 45.100 0.062 0.000 0.788 227 G HN 0.447 nan 8.290 nan 0.000 0.534 228 E N 0.299 120.502 120.200 0.006 0.000 2.366 228 E HA 0.280 4.638 4.350 0.014 0.000 0.266 228 E C -0.369 176.127 176.600 -0.174 0.000 1.015 228 E CA 0.113 56.469 56.400 -0.073 0.000 0.906 228 E CB 0.903 30.556 29.700 -0.078 0.000 0.979 228 E HN 0.172 nan 8.360 nan 0.000 0.443 229 L N 1.793 122.937 121.223 -0.132 0.000 2.346 229 L HA 0.379 4.727 4.340 0.014 0.000 0.274 229 L C 0.851 177.646 176.870 -0.125 0.000 1.007 229 L CA -0.598 54.159 54.840 -0.138 0.000 0.818 229 L CB 1.668 43.681 42.059 -0.077 0.000 1.284 229 L HN 0.607 nan 8.230 nan 0.000 0.424 230 A N 2.728 125.475 122.820 -0.122 0.000 2.169 230 A HA 0.060 4.389 4.320 0.014 0.000 0.212 230 A C 0.823 178.381 177.584 -0.043 0.000 1.153 230 A CA 0.085 52.069 52.037 -0.088 0.000 0.756 230 A CB -0.165 18.793 19.000 -0.070 0.000 0.813 230 A HN 0.565 nan 8.150 nan 0.000 0.471 231 I N 0.430 120.986 120.570 -0.023 0.000 2.826 231 I HA 0.299 4.477 4.170 0.014 0.000 0.295 231 I C 1.376 177.531 176.117 0.063 0.000 1.213 231 I CA 1.467 62.786 61.300 0.032 0.000 1.436 231 I CB 0.109 38.115 38.000 0.009 0.000 1.348 231 I HN 0.570 nan 8.210 nan 0.000 0.570 232 G N 4.450 113.349 108.800 0.165 0.000 2.232 232 G HA2 -0.212 3.756 3.960 0.014 0.000 0.226 232 G HA3 -0.212 3.756 3.960 0.014 0.000 0.226 232 G C 1.020 175.957 174.900 0.061 0.000 0.996 232 G CA 0.225 45.450 45.100 0.208 0.000 0.626 232 G HN 1.220 nan 8.290 nan 0.000 0.509 233 G N 0.513 109.310 108.800 -0.005 0.000 2.572 233 G HA2 0.403 4.372 3.960 0.014 0.000 0.216 233 G HA3 0.403 4.372 3.960 0.014 0.000 0.216 233 G C 1.475 176.344 174.900 -0.052 0.000 1.133 233 G CA 2.551 47.600 45.100 -0.085 0.000 0.791 233 G HN 2.169 nan 8.290 nan 0.000 0.538 234 T N -1.424 113.126 114.554 -0.007 0.000 14.043 234 T HA -0.397 3.961 4.350 0.014 0.000 0.422 234 T C 1.906 176.612 174.700 0.010 0.000 1.438 234 T CA 2.087 64.187 62.100 0.000 0.000 2.348 234 T CB -1.390 67.468 68.868 -0.018 0.000 2.748 234 T HN 1.272 nan 8.240 nan 0.000 0.266 235 A N 1.002 123.833 122.820 0.018 0.000 1.930 235 A HA 0.308 4.636 4.320 0.014 0.000 0.217 235 A C 2.676 180.291 177.584 0.052 0.000 1.175 235 A CA 3.553 55.610 52.037 0.035 0.000 0.627 235 A CB -0.744 18.276 19.000 0.033 0.000 0.815 235 A HN 2.039 nan 8.150 nan 0.000 0.443 236 V N -6.019 113.933 119.914 0.062 0.000 3.398 236 V HA 0.623 4.751 4.120 0.014 0.000 0.298 236 V C 1.140 177.305 176.094 0.119 0.000 1.496 236 V CA 0.713 63.084 62.300 0.118 0.000 1.044 236 V CB -0.324 31.593 31.823 0.156 0.000 0.880 236 V HN 1.467 nan 8.190 nan 0.000 0.443 237 G N 1.418 110.186 108.800 -0.054 0.000 2.218 237 G HA2 -0.297 3.671 3.960 0.014 0.000 0.216 237 G HA3 -0.297 3.671 3.960 0.014 0.000 0.216 237 G C 1.007 175.573 174.900 -0.557 0.000 0.994 237 G CA 0.905 45.756 45.100 -0.415 0.000 0.637 237 G HN 1.079 nan 8.290 nan 0.000 0.505 238 T N -1.229 113.267 114.554 -0.098 0.000 3.055 238 T HA 0.377 4.735 4.350 0.014 0.000 0.265 238 T C 2.536 177.233 174.700 -0.005 0.000 1.111 238 T CA 1.878 64.010 62.100 0.054 0.000 1.118 238 T CB -0.061 68.916 68.868 0.181 0.000 0.909 238 T HN 2.254 nan 8.240 nan 0.000 0.501 239 G N 0.833 109.612 108.800 -0.036 0.000 2.159 239 G HA2 -0.218 3.750 3.960 0.014 0.000 0.256 239 G HA3 -0.218 3.750 3.960 0.014 0.000 0.256 239 G C -0.073 174.822 174.900 -0.009 0.000 0.977 239 G CA 0.067 45.157 45.100 -0.017 0.000 0.652 239 G HN 0.767 nan 8.290 nan 0.000 0.531 240 L N 0.736 121.961 121.223 0.004 0.000 2.540 240 L HA 0.387 4.735 4.340 0.014 0.000 0.276 240 L C 1.169 178.023 176.870 -0.027 0.000 1.212 240 L CA 1.459 56.299 54.840 -0.000 0.000 0.893 240 L CB -0.071 41.997 42.059 0.015 0.000 1.138 240 L HN 0.393 nan 8.230 nan 0.000 0.491 241 N N 1.309 119.985 118.700 -0.039 0.000 2.878 241 N HA -0.195 4.554 4.740 0.014 0.000 0.247 241 N C -0.343 175.092 175.510 -0.125 0.000 1.021 241 N CA 1.209 54.218 53.050 -0.067 0.000 0.873 241 N CB -1.542 36.911 38.487 -0.057 0.000 1.128 241 N HN 0.784 nan 8.380 nan 0.000 0.571 242 A N 0.313 123.054 122.820 -0.131 0.000 2.337 242 A HA 0.774 5.102 4.320 0.014 0.000 0.331 242 A C -2.121 175.386 177.584 -0.128 0.000 1.137 242 A CA -1.163 50.732 52.037 -0.236 0.000 0.807 242 A CB 1.367 20.225 19.000 -0.236 0.000 1.250 242 A HN -0.049 nan 8.150 nan 0.000 0.468 243 P HA 0.430 nan 4.420 nan 0.000 0.272 243 P C 0.085 177.427 177.300 0.070 0.000 1.230 243 P CA 0.077 63.176 63.100 -0.002 0.000 0.788 243 P CB 0.155 31.879 31.700 0.041 0.000 0.949 244 E N 0.216 120.450 120.200 0.056 0.000 2.465 244 E HA 0.326 4.684 4.350 0.014 0.000 0.260 244 E C 1.337 177.988 176.600 0.085 0.000 0.980 244 E CA 0.184 56.620 56.400 0.060 0.000 0.927 244 E CB -1.279 28.445 29.700 0.040 0.000 0.934 244 E HN 0.887 nan 8.360 nan 0.000 0.459 245 G N 1.387 110.236 108.800 0.080 0.000 2.168 245 G HA2 -0.309 3.660 3.960 0.014 0.000 0.257 245 G HA3 -0.309 3.660 3.960 0.014 0.000 0.257 245 G C 0.856 175.812 174.900 0.093 0.000 0.997 245 G CA 0.810 45.950 45.100 0.066 0.000 0.708 245 G HN 1.217 nan 8.290 nan 0.000 0.520 246 F N 1.512 121.455 119.950 -0.011 0.000 2.091 246 F HA 0.015 4.550 4.527 0.014 0.000 0.299 246 F C 2.420 178.211 175.800 -0.014 0.000 1.103 246 F CA 2.909 60.903 58.000 -0.010 0.000 1.228 246 F CB -0.602 38.392 39.000 -0.009 0.000 0.984 246 F HN 0.155 nan 8.300 nan 0.000 0.477 247 G N -0.256 108.549 108.800 0.009 0.000 2.446 247 G HA2 -0.230 3.739 3.960 0.014 0.000 0.217 247 G HA3 -0.230 3.739 3.960 0.014 0.000 0.217 247 G C 1.811 176.630 174.900 -0.135 0.000 1.168 247 G CA 1.189 46.234 45.100 -0.092 0.000 0.771 247 G HN 0.347 nan 8.290 nan 0.000 0.551 248 V N 0.739 120.603 119.914 -0.083 0.000 2.343 248 V HA -0.188 3.940 4.120 0.014 0.000 0.247 248 V C 2.846 178.877 176.094 -0.106 0.000 1.051 248 V CA 2.341 64.596 62.300 -0.075 0.000 1.036 248 V CB -0.389 31.410 31.823 -0.040 0.000 0.654 248 V HN 0.383 nan 8.190 nan 0.000 0.451 249 K N -0.494 119.825 120.400 -0.134 0.000 2.026 249 K HA -0.124 4.204 4.320 0.014 0.000 0.208 249 K C 2.065 178.536 176.600 -0.215 0.000 1.048 249 K CA 1.391 57.587 56.287 -0.151 0.000 0.929 249 K CB -0.439 31.981 32.500 -0.133 0.000 0.713 249 K HN 0.317 nan 8.250 nan 0.000 0.439 250 V N 1.192 120.889 119.914 -0.361 0.000 2.295 250 V HA -0.230 3.898 4.120 0.014 0.000 0.246 250 V C 2.289 178.267 176.094 -0.192 0.000 1.049 250 V CA 1.529 63.621 62.300 -0.346 0.000 1.024 250 V CB -0.323 31.191 31.823 -0.515 0.000 0.648 250 V HN 0.098 nan 8.190 nan 0.000 0.447 251 V N -0.260 119.557 119.914 -0.161 0.000 2.343 251 V HA -0.272 3.856 4.120 0.014 0.000 0.247 251 V C 2.703 178.747 176.094 -0.083 0.000 1.051 251 V CA 2.343 64.581 62.300 -0.103 0.000 1.036 251 V CB -0.720 31.052 31.823 -0.085 0.000 0.654 251 V HN 0.658 nan 8.190 nan 0.000 0.451 252 S N -0.289 115.361 115.700 -0.084 0.000 2.365 252 S HA -0.203 4.275 4.470 0.014 0.000 0.225 252 S C 1.978 176.543 174.600 -0.059 0.000 1.039 252 S CA 2.170 60.332 58.200 -0.063 0.000 1.033 252 S CB -0.277 62.888 63.200 -0.060 0.000 0.887 252 S HN 0.341 nan 8.310 nan 0.000 0.447 253 V N 1.922 121.793 119.914 -0.072 0.000 2.358 253 V HA -0.120 4.008 4.120 0.014 0.000 0.246 253 V C 2.464 178.527 176.094 -0.051 0.000 1.047 253 V CA 1.861 64.126 62.300 -0.059 0.000 1.035 253 V CB -0.724 31.058 31.823 -0.068 0.000 0.658 253 V HN 0.476 nan 8.190 nan 0.000 0.452 254 L N -0.488 120.698 121.223 -0.061 0.000 2.046 254 L HA -0.166 4.182 4.340 0.014 0.000 0.208 254 L C 2.494 179.338 176.870 -0.042 0.000 1.077 254 L CA 1.223 56.033 54.840 -0.050 0.000 0.747 254 L CB -0.686 41.339 42.059 -0.056 0.000 0.896 254 L HN 0.191 nan 8.230 nan 0.000 0.432 255 V N -1.079 118.809 119.914 -0.043 0.000 2.295 255 V HA -0.318 3.810 4.120 0.014 0.000 0.246 255 V C 2.696 178.771 176.094 -0.032 0.000 1.049 255 V CA 2.083 64.361 62.300 -0.037 0.000 1.024 255 V CB -0.412 31.389 31.823 -0.035 0.000 0.648 255 V HN 0.455 nan 8.190 nan 0.000 0.447 256 S N -1.069 114.612 115.700 -0.032 0.000 2.368 256 S HA -0.270 4.209 4.470 0.014 0.000 0.225 256 S C 2.045 176.630 174.600 -0.024 0.000 1.030 256 S CA 1.971 60.155 58.200 -0.026 0.000 0.999 256 S CB -0.172 63.013 63.200 -0.026 0.000 0.844 256 S HN 0.701 nan 8.310 nan 0.000 0.459 257 Q N -0.327 119.458 119.800 -0.025 0.000 2.083 257 Q HA -0.058 4.290 4.340 0.014 0.000 0.198 257 Q C 2.353 178.340 176.000 -0.022 0.000 0.969 257 Q CA 1.776 57.567 55.803 -0.021 0.000 0.838 257 Q CB -0.254 28.472 28.738 -0.020 0.000 0.900 257 Q HN 0.821 nan 8.270 nan 0.000 0.436 258 T N -3.966 110.572 114.554 -0.027 0.000 3.057 258 T HA 0.200 4.558 4.350 0.014 0.000 0.254 258 T C 1.419 176.100 174.700 -0.031 0.000 1.094 258 T CA 0.482 62.565 62.100 -0.029 0.000 1.088 258 T CB 0.343 69.192 68.868 -0.033 0.000 0.934 258 T HN 0.417 nan 8.240 nan 0.000 0.497 259 G N 1.621 110.403 108.800 -0.030 0.000 2.179 259 G HA2 -0.223 3.746 3.960 0.014 0.000 0.257 259 G HA3 -0.223 3.746 3.960 0.014 0.000 0.257 259 G C -0.050 174.830 174.900 -0.033 0.000 1.010 259 G CA 0.340 45.421 45.100 -0.030 0.000 0.736 259 G HN 0.645 nan 8.290 nan 0.000 0.513 260 L N 0.981 122.183 121.223 -0.034 0.000 2.287 260 L HA 0.310 4.659 4.340 0.014 0.000 0.280 260 L C -0.660 176.192 176.870 -0.030 0.000 1.055 260 L CA -1.993 52.826 54.840 -0.035 0.000 0.863 260 L CB 1.327 43.362 42.059 -0.040 0.000 1.245 260 L HN -0.055 nan 8.230 nan 0.000 0.432 261 P HA -0.126 nan 4.420 nan 0.000 0.230 261 P C 0.766 178.054 177.300 -0.019 0.000 1.158 261 P CA 0.745 63.832 63.100 -0.022 0.000 0.769 261 P CB 0.441 32.130 31.700 -0.019 0.000 0.807 262 Q N -0.270 119.519 119.800 -0.019 0.000 2.369 262 Q HA 0.047 4.395 4.340 0.014 0.000 0.206 262 Q C 0.954 176.947 176.000 -0.012 0.000 0.963 262 Q CA 0.481 56.277 55.803 -0.012 0.000 0.894 262 Q CB -0.642 28.090 28.738 -0.010 0.000 0.965 262 Q HN 0.337 nan 8.270 nan 0.000 0.475 263 L N 2.415 123.627 121.223 -0.020 0.000 2.410 263 L HA 0.263 4.612 4.340 0.014 0.000 0.273 263 L C 0.177 177.031 176.870 -0.027 0.000 1.152 263 L CA -0.060 54.766 54.840 -0.022 0.000 0.855 263 L CB 0.312 42.352 42.059 -0.031 0.000 1.129 263 L HN 0.205 nan 8.230 nan 0.000 0.463 264 R N 0.306 120.789 120.500 -0.030 0.000 2.710 264 R HA 0.521 4.870 4.340 0.014 0.000 0.270 264 R C -0.792 175.481 176.300 -0.045 0.000 1.021 264 R CA -0.942 55.138 56.100 -0.034 0.000 0.889 264 R CB 0.958 31.244 30.300 -0.024 0.000 1.243 264 R HN 0.512 nan 8.270 nan 0.000 0.464 265 T N -0.437 114.090 114.554 -0.046 0.000 2.926 265 T HA 0.424 4.782 4.350 0.014 0.000 0.307 265 T C 0.804 175.474 174.700 -0.050 0.000 1.059 265 T CA -0.268 61.801 62.100 -0.052 0.000 1.122 265 T CB 0.845 69.685 68.868 -0.046 0.000 0.972 265 T HN 0.751 nan 8.240 nan 0.000 0.545 266 A N 1.827 124.608 122.820 -0.064 0.000 2.483 266 A HA 0.574 4.903 4.320 0.014 0.000 0.238 266 A C 1.814 179.375 177.584 -0.038 0.000 1.070 266 A CA -0.150 51.850 52.037 -0.062 0.000 0.770 266 A CB -0.567 18.382 19.000 -0.085 0.000 1.008 266 A HN 1.403 nan 8.150 nan 0.000 0.497 267 A N 1.807 124.614 122.820 -0.022 0.000 1.908 267 A HA -0.086 4.242 4.320 0.014 0.000 0.218 267 A C 1.142 178.730 177.584 0.007 0.000 1.181 267 A CA 1.793 53.828 52.037 -0.004 0.000 0.627 267 A CB -0.266 18.737 19.000 0.005 0.000 0.818 267 A HN 0.854 nan 8.150 nan 0.000 0.445 268 N N -1.047 117.657 118.700 0.006 0.000 2.480 268 N HA 0.163 4.911 4.740 0.014 0.000 0.289 268 N C 0.597 176.092 175.510 -0.025 0.000 1.073 268 N CA 0.559 53.632 53.050 0.038 0.000 0.885 268 N CB 1.875 40.417 38.487 0.092 0.000 1.421 268 N HN 0.168 nan 8.380 nan 0.000 0.503 269 S N 2.782 118.399 115.700 -0.138 0.000 2.447 269 S HA -0.037 4.441 4.470 0.014 0.000 0.233 269 S C 1.432 175.762 174.600 -0.449 0.000 1.006 269 S CA 0.612 58.612 58.200 -0.334 0.000 0.957 269 S CB -0.409 62.509 63.200 -0.470 0.000 0.773 269 S HN 0.499 nan 8.310 nan 0.000 0.507 270 F N 2.145 122.105 119.950 0.016 0.000 2.149 270 F HA 0.156 4.691 4.527 0.014 0.000 0.294 270 F C 2.897 178.708 175.800 0.017 0.000 1.095 270 F CA 1.016 59.030 58.000 0.022 0.000 1.276 270 F CB -0.553 38.462 39.000 0.025 0.000 1.023 270 F HN 0.176 nan 8.300 nan 0.000 0.480 271 E N 1.315 121.613 120.200 0.165 0.000 2.118 271 E HA -0.230 4.128 4.350 0.014 0.000 0.195 271 E C 2.147 178.770 176.600 0.038 0.000 0.992 271 E CA 1.300 57.754 56.400 0.089 0.000 0.804 271 E CB -0.248 29.492 29.700 0.067 0.000 0.741 271 E HN 0.329 nan 8.360 nan 0.000 0.458 272 A N 0.124 122.939 122.820 -0.009 0.000 2.168 272 A HA -0.106 4.222 4.320 0.014 0.000 0.215 272 A C 1.904 179.468 177.584 -0.034 0.000 1.152 272 A CA 1.070 53.074 52.037 -0.055 0.000 0.716 272 A CB -0.068 18.869 19.000 -0.105 0.000 0.794 272 A HN 0.313 nan 8.150 nan 0.000 0.465 273 Q N -1.942 117.861 119.800 0.004 0.000 2.477 273 Q HA 0.280 4.628 4.340 0.014 0.000 0.252 273 Q C 2.124 178.174 176.000 0.083 0.000 0.869 273 Q CA 0.540 56.367 55.803 0.039 0.000 0.969 273 Q CB 0.127 28.878 28.738 0.023 0.000 1.144 273 Q HN 0.534 nan 8.270 nan 0.000 0.577 274 A N 0.947 123.827 122.820 0.099 0.000 2.067 274 A HA 0.304 4.632 4.320 0.014 0.000 0.219 274 A C 0.946 178.579 177.584 0.082 0.000 1.158 274 A CA 1.195 53.296 52.037 0.106 0.000 0.661 274 A CB 0.005 19.073 19.000 0.113 0.000 0.801 274 A HN 0.295 nan 8.150 nan 0.000 0.452 275 A N -1.511 121.352 122.820 0.073 0.000 2.566 275 A HA 0.746 5.074 4.320 0.014 0.000 0.292 275 A C -0.149 177.486 177.584 0.085 0.000 1.112 275 A CA -0.733 51.344 52.037 0.066 0.000 0.707 275 A CB 0.923 19.948 19.000 0.041 0.000 1.302 275 A HN 0.064 nan 8.150 nan 0.000 0.409 276 R N 0.730 121.290 120.500 0.101 0.000 2.776 276 R HA 0.160 4.509 4.340 0.014 0.000 0.391 276 R C -0.742 175.633 176.300 0.126 0.000 1.116 276 R CA -0.244 55.950 56.100 0.156 0.000 1.056 276 R CB 0.421 30.824 30.300 0.172 0.000 1.369 276 R HN 0.735 nan 8.270 nan 0.000 0.590 277 D N 0.334 120.788 120.400 0.089 0.000 2.218 277 D HA -0.094 4.554 4.640 0.014 0.000 0.204 277 D C 1.852 178.202 176.300 0.084 0.000 0.976 277 D CA 1.404 55.442 54.000 0.064 0.000 0.853 277 D CB 0.105 40.929 40.800 0.040 0.000 0.939 277 D HN 0.431 nan 8.370 nan 0.000 0.481 278 G N 0.451 109.336 108.800 0.142 0.000 2.422 278 G HA2 -0.163 3.806 3.960 0.014 0.000 0.218 278 G HA3 -0.163 3.806 3.960 0.014 0.000 0.218 278 G C 1.697 176.672 174.900 0.125 0.000 1.140 278 G CA 0.164 45.365 45.100 0.168 0.000 0.775 278 G HN 0.267 nan 8.290 nan 0.000 0.545 279 L N 0.289 121.571 121.223 0.097 0.000 2.109 279 L HA -0.037 4.311 4.340 0.014 0.000 0.207 279 L C 2.919 179.797 176.870 0.013 0.000 1.086 279 L CA 0.309 55.148 54.840 -0.001 0.000 0.760 279 L CB -0.497 41.541 42.059 -0.035 0.000 0.910 279 L HN 0.071 nan 8.230 nan 0.000 0.437 280 V N 0.177 120.108 119.914 0.028 0.000 2.343 280 V HA -0.292 3.836 4.120 0.014 0.000 0.247 280 V C 2.497 178.595 176.094 0.006 0.000 1.051 280 V CA 2.040 64.347 62.300 0.013 0.000 1.036 280 V CB -0.505 31.325 31.823 0.012 0.000 0.654 280 V HN 0.521 nan 8.190 nan 0.000 0.451 281 E N 0.521 120.733 120.200 0.021 0.000 2.051 281 E HA -0.233 4.125 4.350 0.014 0.000 0.192 281 E C 2.227 178.835 176.600 0.012 0.000 0.991 281 E CA 1.517 57.929 56.400 0.020 0.000 0.799 281 E CB -0.247 29.475 29.700 0.036 0.000 0.748 281 E HN 0.540 nan 8.360 nan 0.000 0.449 282 A N 0.513 123.348 122.820 0.023 0.000 1.898 282 A HA -0.153 4.175 4.320 0.014 0.000 0.216 282 A C 2.350 179.891 177.584 -0.071 0.000 1.181 282 A CA 1.723 53.774 52.037 0.023 0.000 0.620 282 A CB -0.832 18.232 19.000 0.107 0.000 0.819 282 A HN 0.350 nan 8.150 nan 0.000 0.442 283 S N -0.415 115.233 115.700 -0.086 0.000 2.370 283 S HA -0.084 4.394 4.470 0.014 0.000 0.226 283 S C 2.054 176.595 174.600 -0.098 0.000 1.033 283 S CA 1.795 59.915 58.200 -0.132 0.000 1.011 283 S CB -0.731 62.418 63.200 -0.084 0.000 0.852 283 S HN 0.727 nan 8.310 nan 0.000 0.457 284 G N 0.659 109.427 108.800 -0.053 0.000 2.469 284 G HA2 -0.119 3.849 3.960 0.014 0.000 0.220 284 G HA3 -0.119 3.849 3.960 0.014 0.000 0.220 284 G C 1.629 176.503 174.900 -0.043 0.000 1.136 284 G CA 1.058 46.135 45.100 -0.038 0.000 0.759 284 G HN 0.702 nan 8.290 nan 0.000 0.562 285 A N 0.508 123.301 122.820 -0.045 0.000 1.930 285 A HA 0.153 4.481 4.320 0.014 0.000 0.217 285 A C 2.424 179.968 177.584 -0.067 0.000 1.175 285 A CA 1.149 53.164 52.037 -0.037 0.000 0.627 285 A CB -0.324 18.670 19.000 -0.010 0.000 0.815 285 A HN 0.356 nan 8.150 nan 0.000 0.443 286 L N -1.007 120.137 121.223 -0.133 0.000 2.083 286 L HA -0.157 4.191 4.340 0.014 0.000 0.209 286 L C 2.816 179.620 176.870 -0.110 0.000 1.083 286 L CA 1.342 56.079 54.840 -0.171 0.000 0.752 286 L CB -0.620 41.246 42.059 -0.322 0.000 0.899 286 L HN 0.390 nan 8.230 nan 0.000 0.433 287 R N 0.458 120.903 120.500 -0.091 0.000 2.081 287 R HA -0.136 4.213 4.340 0.014 0.000 0.235 287 R C 2.090 178.365 176.300 -0.042 0.000 1.131 287 R CA 2.160 58.223 56.100 -0.061 0.000 0.960 287 R CB -0.664 29.608 30.300 -0.048 0.000 0.856 287 R HN 0.283 nan 8.270 nan 0.000 0.436 288 T N 1.524 116.057 114.554 -0.035 0.000 2.788 288 T HA -0.077 4.281 4.350 0.014 0.000 0.268 288 T C 1.994 176.684 174.700 -0.017 0.000 1.044 288 T CA 1.464 63.552 62.100 -0.020 0.000 1.139 288 T CB -0.126 68.735 68.868 -0.011 0.000 0.867 288 T HN 0.215 nan 8.240 nan 0.000 0.454 289 I N 1.350 121.906 120.570 -0.023 0.000 2.226 289 I HA -0.177 4.002 4.170 0.014 0.000 0.245 289 I C 2.928 179.032 176.117 -0.021 0.000 1.100 289 I CA 1.024 62.316 61.300 -0.013 0.000 1.374 289 I CB -0.500 37.492 38.000 -0.013 0.000 1.057 289 I HN 0.191 nan 8.210 nan 0.000 0.413 290 A N 0.480 123.277 122.820 -0.038 0.000 1.892 290 A HA -0.194 4.134 4.320 0.014 0.000 0.218 290 A C 2.455 180.016 177.584 -0.038 0.000 1.188 290 A CA 2.039 54.049 52.037 -0.045 0.000 0.631 290 A CB -1.084 17.884 19.000 -0.053 0.000 0.822 290 A HN 0.244 nan 8.150 nan 0.000 0.447 291 V N -0.121 119.776 119.914 -0.028 0.000 2.287 291 V HA -0.254 3.874 4.120 0.014 0.000 0.248 291 V C 2.843 178.928 176.094 -0.015 0.000 1.053 291 V CA 2.443 64.731 62.300 -0.020 0.000 1.027 291 V CB -0.827 30.988 31.823 -0.013 0.000 0.646 291 V HN 0.594 nan 8.190 nan 0.000 0.447 292 S N -0.095 115.601 115.700 -0.007 0.000 2.356 292 S HA -0.134 4.345 4.470 0.014 0.000 0.223 292 S C 1.909 176.504 174.600 -0.009 0.000 1.032 292 S CA 1.538 59.741 58.200 0.006 0.000 1.005 292 S CB -0.405 62.808 63.200 0.022 0.000 0.867 292 S HN 0.455 nan 8.310 nan 0.000 0.449 293 L N 1.137 122.350 121.223 -0.017 0.000 2.127 293 L HA -0.143 4.206 4.340 0.014 0.000 0.211 293 L C 2.633 179.451 176.870 -0.087 0.000 1.089 293 L CA 1.124 55.941 54.840 -0.040 0.000 0.757 293 L CB -1.054 40.968 42.059 -0.061 0.000 0.899 293 L HN 0.337 nan 8.230 nan 0.000 0.434 294 T N -0.702 113.809 114.554 -0.071 0.000 2.708 294 T HA -0.236 4.122 4.350 0.014 0.000 0.266 294 T C 1.887 176.554 174.700 -0.054 0.000 1.037 294 T CA 1.671 63.730 62.100 -0.068 0.000 1.146 294 T CB -0.119 68.724 68.868 -0.043 0.000 0.865 294 T HN 0.121 nan 8.240 nan 0.000 0.435 295 K N 1.456 121.831 120.400 -0.041 0.000 2.026 295 K HA 0.016 4.345 4.320 0.014 0.000 0.208 295 K C 2.026 178.555 176.600 -0.118 0.000 1.048 295 K CA 1.410 57.676 56.287 -0.035 0.000 0.929 295 K CB -0.822 31.677 32.500 -0.002 0.000 0.713 295 K HN 0.385 nan 8.250 nan 0.000 0.439 296 I N 0.564 121.015 120.570 -0.199 0.000 2.179 296 I HA -0.253 3.925 4.170 0.014 0.000 0.242 296 I C 2.372 178.346 176.117 -0.239 0.000 1.088 296 I CA 1.379 62.398 61.300 -0.468 0.000 1.357 296 I CB -0.490 37.309 38.000 -0.335 0.000 1.051 296 I HN 0.285 nan 8.210 nan 0.000 0.409 297 A N 0.722 123.487 122.820 -0.092 0.000 1.930 297 A HA -0.189 4.139 4.320 0.014 0.000 0.217 297 A C 2.094 179.665 177.584 -0.021 0.000 1.175 297 A CA 1.728 53.726 52.037 -0.065 0.000 0.627 297 A CB -0.624 18.192 19.000 -0.307 0.000 0.815 297 A HN 0.390 nan 8.150 nan 0.000 0.443 298 N N 0.584 119.276 118.700 -0.012 0.000 2.084 298 N HA -0.139 4.609 4.740 0.014 0.000 0.190 298 N C 1.203 176.830 175.510 0.196 0.000 1.030 298 N CA 1.649 54.758 53.050 0.097 0.000 0.849 298 N CB -0.483 38.079 38.487 0.124 0.000 1.012 298 N HN 0.415 nan 8.380 nan 0.000 0.423 299 D N 0.645 121.106 120.400 0.102 0.000 2.123 299 D HA -0.067 4.581 4.640 0.014 0.000 0.196 299 D C 2.101 178.511 176.300 0.183 0.000 0.992 299 D CA 0.570 54.661 54.000 0.151 0.000 0.833 299 D CB -0.283 40.561 40.800 0.073 0.000 0.954 299 D HN 0.287 nan 8.370 nan 0.000 0.455 300 I N 0.916 121.549 120.570 0.104 0.000 2.226 300 I HA -0.254 3.924 4.170 0.014 0.000 0.245 300 I C 2.487 178.706 176.117 0.170 0.000 1.100 300 I CA 1.097 62.511 61.300 0.190 0.000 1.374 300 I CB -0.153 37.986 38.000 0.231 0.000 1.057 300 I HN 0.044 nan 8.210 nan 0.000 0.413 301 R N -0.023 120.533 120.500 0.094 0.000 2.090 301 R HA -0.152 4.197 4.340 0.014 0.000 0.228 301 R C 1.973 178.230 176.300 -0.071 0.000 1.110 301 R CA 1.189 57.278 56.100 -0.019 0.000 0.973 301 R CB -0.987 29.241 30.300 -0.120 0.000 0.869 301 R HN 0.310 nan 8.270 nan 0.000 0.440 302 W N 1.483 122.815 121.300 0.053 0.000 2.358 302 W HA 0.045 4.708 4.660 0.004 0.000 0.303 302 W C 2.399 178.960 176.519 0.070 0.000 1.208 302 W CA 0.936 58.312 57.345 0.053 0.000 1.274 302 W CB -0.123 29.364 29.460 0.045 0.000 1.138 302 W HN -0.006 nan 8.180 nan 0.000 0.515 303 M N -0.461 119.330 119.600 0.319 0.000 2.149 303 M HA -0.098 4.391 4.480 0.014 0.000 0.261 303 M C 2.090 178.497 176.300 0.178 0.000 1.064 303 M CA 1.931 57.376 55.300 0.243 0.000 1.102 303 M CB -0.883 31.871 32.600 0.256 0.000 1.369 303 M HN 0.111 nan 8.290 nan 0.000 0.408 304 G N -0.313 108.572 108.800 0.142 0.000 2.985 304 G HA2 0.054 4.022 3.960 0.014 0.000 0.209 304 G HA3 0.054 4.022 3.960 0.014 0.000 0.209 304 G C 0.458 175.383 174.900 0.041 0.000 1.165 304 G CA 0.045 45.197 45.100 0.088 0.000 0.776 304 G HN 0.506 nan 8.290 nan 0.000 0.541 305 S N -0.663 115.063 115.700 0.044 0.000 2.584 305 S HA 0.623 5.102 4.470 0.014 0.000 0.270 305 S C 1.025 175.636 174.600 0.019 0.000 1.346 305 S CA 0.429 58.616 58.200 -0.021 0.000 1.018 305 S CB 1.629 64.798 63.200 -0.052 0.000 0.899 305 S HN 1.513 nan 8.310 nan 0.000 0.542 306 G N 1.884 110.676 108.800 -0.013 0.000 2.964 306 G HA2 -0.174 3.794 3.960 0.014 0.000 0.229 306 G HA3 -0.174 3.794 3.960 0.014 0.000 0.229 306 G C -1.741 173.152 174.900 -0.011 0.000 1.395 306 G CA -0.054 45.048 45.100 0.004 0.000 1.060 306 G HN 0.718 nan 8.290 nan 0.000 0.568 307 P HA 0.118 nan 4.420 nan 0.000 0.217 307 P C 2.236 179.527 177.300 -0.015 0.000 1.154 307 P CA 1.511 64.599 63.100 -0.020 0.000 0.841 307 P CB -0.034 31.641 31.700 -0.041 0.000 0.788 308 L N 0.950 122.166 121.223 -0.010 0.000 2.046 308 L HA -0.081 4.268 4.340 0.014 0.000 0.208 308 L C 2.138 179.022 176.870 0.024 0.000 1.077 308 L CA 2.718 57.557 54.840 -0.001 0.000 0.747 308 L CB -1.610 40.448 42.059 -0.000 0.000 0.896 308 L HN 0.091 nan 8.230 nan 0.000 0.432 309 T N -3.611 110.963 114.554 0.033 0.000 3.107 309 T HA 0.405 4.763 4.350 0.014 0.000 0.249 309 T C 0.852 175.611 174.700 0.098 0.000 1.096 309 T CA 0.128 62.262 62.100 0.055 0.000 1.012 309 T CB -0.282 68.613 68.868 0.044 0.000 0.977 309 T HN 0.402 nan 8.240 nan 0.000 0.527 310 G N 0.543 109.403 108.800 0.101 0.000 3.211 310 G HA2 0.585 4.553 3.960 0.014 0.000 0.167 310 G HA3 0.585 4.553 3.960 0.014 0.000 0.167 310 G C 0.326 175.335 174.900 0.181 0.000 1.212 310 G CA -0.760 44.446 45.100 0.176 0.000 0.928 310 G HN 0.249 nan 8.290 nan 0.000 0.607 311 L N 0.234 121.591 121.223 0.224 0.000 2.354 311 L HA 0.302 4.650 4.340 0.014 0.000 0.212 311 L C 2.049 179.035 176.870 0.194 0.000 1.091 311 L CA 0.842 55.810 54.840 0.214 0.000 0.828 311 L CB -0.300 41.905 42.059 0.244 0.000 0.973 311 L HN 0.730 nan 8.230 nan 0.000 0.461 312 A N 0.814 123.708 122.820 0.124 0.000 2.704 312 A HA -0.251 4.078 4.320 0.014 0.000 0.299 312 A C 1.387 179.028 177.584 0.095 0.000 1.507 312 A CA 1.199 53.263 52.037 0.046 0.000 0.776 312 A CB -1.694 17.250 19.000 -0.092 0.000 1.027 312 A HN 0.611 nan 8.150 nan 0.000 0.475 313 E N -0.936 119.339 120.200 0.126 0.000 2.102 313 E HA 0.179 4.537 4.350 0.014 0.000 0.190 313 E C 1.171 177.781 176.600 0.017 0.000 0.971 313 E CA 1.224 57.685 56.400 0.102 0.000 0.821 313 E CB 0.069 29.822 29.700 0.089 0.000 0.777 313 E HN 1.077 nan 8.360 nan 0.000 0.460 314 I N -2.114 118.480 120.570 0.040 0.000 3.174 314 I HA 0.378 4.556 4.170 0.014 0.000 0.313 314 I C -1.248 174.909 176.117 0.066 0.000 1.155 314 I CA -1.177 60.141 61.300 0.029 0.000 0.977 314 I CB 2.077 40.127 38.000 0.083 0.000 1.248 314 I HN -0.277 nan 8.210 nan 0.000 0.453 315 Q N 2.627 122.475 119.800 0.079 0.000 2.331 315 Q HA 0.555 4.904 4.340 0.014 0.000 0.267 315 Q C -1.460 174.600 176.000 0.100 0.000 1.006 315 Q CA -0.922 54.925 55.803 0.074 0.000 0.818 315 Q CB 2.757 31.526 28.738 0.052 0.000 1.276 315 Q HN 0.442 nan 8.270 nan 0.000 0.450 316 L N 3.765 125.041 121.223 0.088 0.000 2.395 316 L HA 0.344 4.693 4.340 0.014 0.000 0.269 316 L C -2.080 174.830 176.870 0.066 0.000 1.133 316 L CA -1.528 53.366 54.840 0.091 0.000 0.812 316 L CB -0.060 42.052 42.059 0.088 0.000 1.125 316 L HN 0.425 nan 8.230 nan 0.000 0.452 317 P HA 0.005 nan 4.420 nan 0.000 0.265 317 P C -0.845 176.478 177.300 0.038 0.000 1.193 317 P CA -0.271 62.855 63.100 0.044 0.000 0.765 317 P CB 0.335 32.058 31.700 0.038 0.000 0.823 318 D N 2.605 123.022 120.400 0.029 0.000 2.390 318 D HA 0.197 4.845 4.640 0.014 0.000 0.249 318 D C -0.297 176.015 176.300 0.021 0.000 1.144 318 D CA 0.355 54.368 54.000 0.022 0.000 0.880 318 D CB 0.365 41.175 40.800 0.016 0.000 1.182 318 D HN 0.185 nan 8.370 nan 0.000 0.451 330 V N 3.106 123.019 119.914 -0.002 0.000 2.498 330 V HA 0.231 4.360 4.120 0.014 0.000 0.279 330 V C 0.454 176.543 176.094 -0.009 0.000 1.048 330 V CA -0.809 61.491 62.300 0.001 0.000 0.967 330 V CB 1.139 32.969 31.823 0.013 0.000 0.988 330 V HN 0.546 nan 8.190 nan 0.000 0.473 331 N N 6.141 124.833 118.700 -0.014 0.000 2.492 331 N HA 0.191 4.940 4.740 0.014 0.000 0.260 331 N C -2.147 173.353 175.510 -0.018 0.000 1.215 331 N CA -1.257 51.777 53.050 -0.027 0.000 0.923 331 N CB 0.774 39.243 38.487 -0.030 0.000 1.092 331 N HN 0.451 nan 8.380 nan 0.000 0.448 332 P HA 0.033 nan 4.420 nan 0.000 0.225 332 P C 1.115 178.406 177.300 -0.016 0.000 1.813 332 P CA -0.206 62.886 63.100 -0.012 0.000 1.013 332 P CB -0.158 31.519 31.700 -0.037 0.000 1.961 333 V N 0.116 120.027 119.914 -0.004 0.000 2.427 333 V HA -0.204 3.924 4.120 0.014 0.000 0.248 333 V C 2.032 178.118 176.094 -0.013 0.000 1.051 333 V CA 1.136 63.429 62.300 -0.013 0.000 1.048 333 V CB -1.363 30.458 31.823 -0.004 0.000 0.666 333 V HN 0.120 nan 8.190 nan 0.000 0.456 334 L N -0.163 121.073 121.223 0.023 0.000 2.072 334 L HA 0.029 4.377 4.340 0.014 0.000 0.205 334 L C 0.337 177.145 176.870 -0.102 0.000 1.079 334 L CA 1.557 56.410 54.840 0.021 0.000 0.752 334 L CB -1.722 40.430 42.059 0.154 0.000 0.906 334 L HN 0.331 nan 8.230 nan 0.000 0.436 335 P HA -0.194 nan 4.420 nan 0.000 0.216 335 P C 1.221 178.413 177.300 -0.180 0.000 1.150 335 P CA 1.365 64.352 63.100 -0.188 0.000 0.843 335 P CB 0.058 31.727 31.700 -0.051 0.000 0.787 336 E N -0.610 119.521 120.200 -0.115 0.000 2.077 336 E HA -0.147 4.211 4.350 0.014 0.000 0.193 336 E C 2.106 178.642 176.600 -0.107 0.000 0.989 336 E CA 1.218 57.557 56.400 -0.101 0.000 0.800 336 E CB -0.536 29.120 29.700 -0.073 0.000 0.746 336 E HN 0.157 nan 8.360 nan 0.000 0.452 337 A N 0.797 123.553 122.820 -0.107 0.000 1.930 337 A HA -0.128 4.201 4.320 0.014 0.000 0.217 337 A C 2.473 179.971 177.584 -0.143 0.000 1.175 337 A CA 1.015 52.993 52.037 -0.099 0.000 0.627 337 A CB -0.554 18.404 19.000 -0.070 0.000 0.815 337 A HN 0.109 nan 8.150 nan 0.000 0.443 338 V N 0.695 120.465 119.914 -0.240 0.000 2.295 338 V HA -0.253 3.875 4.120 0.014 0.000 0.246 338 V C 3.023 178.988 176.094 -0.216 0.000 1.049 338 V CA 2.531 64.643 62.300 -0.313 0.000 1.024 338 V CB -1.433 29.999 31.823 -0.652 0.000 0.648 338 V HN 0.834 nan 8.190 nan 0.000 0.447 339 T N -2.127 112.313 114.554 -0.191 0.000 2.867 339 T HA -0.227 4.131 4.350 0.014 0.000 0.268 339 T C 1.779 176.424 174.700 -0.092 0.000 1.057 339 T CA 1.412 63.435 62.100 -0.128 0.000 1.136 339 T CB -0.309 68.497 68.868 -0.105 0.000 0.874 339 T HN 0.517 nan 8.240 nan 0.000 0.466 340 Q N 0.464 120.212 119.800 -0.088 0.000 2.079 340 Q HA 0.003 4.351 4.340 0.014 0.000 0.200 340 Q C 2.631 178.594 176.000 -0.061 0.000 0.974 340 Q CA 1.212 56.977 55.803 -0.065 0.000 0.840 340 Q CB -0.403 28.301 28.738 -0.057 0.000 0.898 340 Q HN 0.404 nan 8.270 nan 0.000 0.430 341 V N 1.068 120.939 119.914 -0.072 0.000 2.287 341 V HA -0.321 3.807 4.120 0.014 0.000 0.248 341 V C 2.271 178.327 176.094 -0.064 0.000 1.053 341 V CA 1.959 64.221 62.300 -0.064 0.000 1.027 341 V CB -0.944 30.838 31.823 -0.068 0.000 0.646 341 V HN 0.422 nan 8.190 nan 0.000 0.447 342 A N -0.219 122.556 122.820 -0.076 0.000 1.902 342 A HA -0.133 4.195 4.320 0.014 0.000 0.217 342 A C 2.430 179.982 177.584 -0.054 0.000 1.181 342 A CA 2.107 54.104 52.037 -0.067 0.000 0.623 342 A CB -0.782 18.173 19.000 -0.074 0.000 0.818 342 A HN 0.593 nan 8.150 nan 0.000 0.443 343 A N -0.980 121.810 122.820 -0.050 0.000 1.908 343 A HA -0.227 4.101 4.320 0.014 0.000 0.218 343 A C 2.151 179.713 177.584 -0.036 0.000 1.181 343 A CA 2.174 54.187 52.037 -0.039 0.000 0.627 343 A CB -0.552 18.426 19.000 -0.037 0.000 0.818 343 A HN 0.533 nan 8.150 nan 0.000 0.445 344 Q N -0.200 119.577 119.800 -0.038 0.000 2.084 344 Q HA -0.112 4.236 4.340 0.014 0.000 0.202 344 Q C 1.900 177.877 176.000 -0.037 0.000 0.978 344 Q CA 2.102 57.885 55.803 -0.034 0.000 0.844 344 Q CB -0.560 28.159 28.738 -0.031 0.000 0.898 344 Q HN 0.363 nan 8.270 nan 0.000 0.426 345 V N 0.347 120.233 119.914 -0.048 0.000 2.343 345 V HA -0.242 3.886 4.120 0.014 0.000 0.247 345 V C 2.149 178.212 176.094 -0.052 0.000 1.051 345 V CA 1.348 63.612 62.300 -0.060 0.000 1.036 345 V CB -0.589 31.189 31.823 -0.075 0.000 0.654 345 V HN 0.387 nan 8.190 nan 0.000 0.451 346 I N 1.172 121.717 120.570 -0.042 0.000 2.163 346 I HA -0.190 3.988 4.170 0.014 0.000 0.243 346 I C 2.640 178.743 176.117 -0.023 0.000 1.085 346 I CA 2.173 63.454 61.300 -0.031 0.000 1.347 346 I CB -1.976 36.009 38.000 -0.026 0.000 1.044 346 I HN 0.383 nan 8.210 nan 0.000 0.408 347 G N 1.052 109.838 108.800 -0.024 0.000 2.433 347 G HA2 -0.268 3.701 3.960 0.014 0.000 0.216 347 G HA3 -0.268 3.701 3.960 0.014 0.000 0.216 347 G C 1.475 176.366 174.900 -0.015 0.000 1.186 347 G CA 0.700 45.787 45.100 -0.021 0.000 0.779 347 G HN 0.330 nan 8.290 nan 0.000 0.543 348 N N 0.800 119.489 118.700 -0.018 0.000 2.149 348 N HA -0.101 4.647 4.740 0.014 0.000 0.188 348 N C 1.796 177.300 175.510 -0.010 0.000 1.019 348 N CA 1.517 54.559 53.050 -0.013 0.000 0.857 348 N CB -0.430 38.041 38.487 -0.027 0.000 0.997 348 N HN 0.516 nan 8.380 nan 0.000 0.426 349 D N -0.028 120.359 120.400 -0.022 0.000 2.144 349 D HA 0.007 4.655 4.640 0.014 0.000 0.200 349 D C 1.772 178.081 176.300 0.015 0.000 0.978 349 D CA 1.213 55.202 54.000 -0.018 0.000 0.833 349 D CB -0.080 40.700 40.800 -0.034 0.000 0.961 349 D HN 0.223 nan 8.370 nan 0.000 0.470 350 A N 0.546 123.380 122.820 0.022 0.000 1.908 350 A HA -0.000 4.328 4.320 0.014 0.000 0.218 350 A C 2.394 180.037 177.584 0.098 0.000 1.181 350 A CA 2.105 54.177 52.037 0.059 0.000 0.627 350 A CB -1.133 17.890 19.000 0.040 0.000 0.818 350 A HN 0.357 nan 8.150 nan 0.000 0.445 351 A N -0.655 122.199 122.820 0.057 0.000 1.902 351 A HA 0.015 4.344 4.320 0.014 0.000 0.217 351 A C 2.234 179.893 177.584 0.125 0.000 1.181 351 A CA 1.736 53.819 52.037 0.077 0.000 0.623 351 A CB -0.904 18.125 19.000 0.047 0.000 0.818 351 A HN 0.378 nan 8.150 nan 0.000 0.443 352 V N -0.156 119.806 119.914 0.079 0.000 2.295 352 V HA -0.254 3.874 4.120 0.014 0.000 0.246 352 V C 3.060 179.196 176.094 0.070 0.000 1.049 352 V CA 1.999 64.339 62.300 0.067 0.000 1.024 352 V CB -1.175 30.663 31.823 0.025 0.000 0.648 352 V HN 0.615 nan 8.190 nan 0.000 0.447 353 A N -0.620 122.243 122.820 0.071 0.000 1.933 353 A HA -0.252 4.077 4.320 0.014 0.000 0.218 353 A C 2.129 179.740 177.584 0.046 0.000 1.175 353 A CA 1.705 53.770 52.037 0.046 0.000 0.628 353 A CB -0.746 18.281 19.000 0.045 0.000 0.814 353 A HN 0.743 nan 8.150 nan 0.000 0.444 354 W N 0.853 122.103 121.300 -0.082 0.000 2.354 354 W HA -0.162 4.506 4.660 0.014 0.000 0.315 354 W C 2.133 178.493 176.519 -0.266 0.000 1.206 354 W CA 2.069 59.339 57.345 -0.124 0.000 1.290 354 W CB -0.902 28.517 29.460 -0.068 0.000 1.152 354 W HN 0.350 nan 8.180 nan 0.000 0.489 355 G N 0.496 109.332 108.800 0.059 0.000 2.476 355 G HA2 -0.276 3.693 3.960 0.014 0.000 0.218 355 G HA3 -0.276 3.693 3.960 0.014 0.000 0.218 355 G C 1.743 176.451 174.900 -0.321 0.000 1.164 355 G CA 1.550 46.486 45.100 -0.274 0.000 0.768 355 G HN 0.442 nan 8.290 nan 0.000 0.560 356 G N 0.931 109.663 108.800 -0.114 0.000 2.442 356 G HA2 0.048 4.016 3.960 0.014 0.000 0.219 356 G HA3 0.048 4.016 3.960 0.014 0.000 0.219 356 G C 1.939 176.759 174.900 -0.133 0.000 1.141 356 G CA 1.443 46.500 45.100 -0.072 0.000 0.763 356 G HN 0.704 nan 8.290 nan 0.000 0.554 357 A N 0.226 122.916 122.820 -0.217 0.000 2.119 357 A HA 0.106 4.434 4.320 0.014 0.000 0.216 357 A C 1.803 179.233 177.584 -0.256 0.000 1.152 357 A CA 0.774 52.673 52.037 -0.230 0.000 0.708 357 A CB -0.068 18.763 19.000 -0.282 0.000 0.805 357 A HN 0.317 nan 8.150 nan 0.000 0.460 358 N N 0.495 118.984 118.700 -0.352 0.000 2.273 358 N HA 0.119 4.867 4.740 0.014 0.000 0.231 358 N C 0.698 176.195 175.510 -0.021 0.000 1.134 358 N CA 0.416 53.289 53.050 -0.295 0.000 0.856 358 N CB 0.509 38.666 38.487 -0.549 0.000 1.068 358 N HN 0.398 nan 8.380 nan 0.000 0.510 359 G N 0.271 109.075 108.800 0.007 0.000 2.664 359 G HA2 0.434 4.402 3.960 0.014 0.000 0.242 359 G HA3 0.434 4.402 3.960 0.014 0.000 0.242 359 G C -0.527 174.415 174.900 0.070 0.000 1.225 359 G CA -0.189 44.976 45.100 0.109 0.000 0.849 359 G HN 0.197 nan 8.290 nan 0.000 0.581 360 A N -0.041 122.844 122.820 0.109 0.000 2.381 360 A HA 0.760 5.088 4.320 0.014 0.000 0.299 360 A C 0.024 177.713 177.584 0.175 0.000 1.049 360 A CA -0.493 51.597 52.037 0.088 0.000 0.715 360 A CB 0.641 19.776 19.000 0.225 0.000 1.222 360 A HN 1.118 nan 8.150 nan 0.000 0.428 361 F N 0.216 120.196 119.950 0.049 0.000 2.756 361 F HA -0.343 4.192 4.527 0.014 0.000 0.240 361 F C 1.647 177.490 175.800 0.071 0.000 1.487 361 F CA 2.303 60.332 58.000 0.049 0.000 1.859 361 F CB -0.814 38.210 39.000 0.041 0.000 1.319 361 F HN 0.600 nan 8.300 nan 0.000 0.230 362 E N 0.316 120.698 120.200 0.305 0.000 2.489 362 E HA 0.330 4.689 4.350 0.014 0.000 0.193 362 E C -0.509 176.196 176.600 0.174 0.000 1.057 362 E CA 0.409 56.945 56.400 0.226 0.000 0.866 362 E CB 0.232 30.060 29.700 0.213 0.000 0.916 362 E HN 0.286 nan 8.360 nan 0.000 0.500 363 L N 0.500 121.822 121.223 0.164 0.000 2.543 363 L HA 0.364 4.712 4.340 0.014 0.000 0.265 363 L C -1.584 175.372 176.870 0.144 0.000 0.945 363 L CA -0.561 54.361 54.840 0.136 0.000 0.869 363 L CB 1.783 43.912 42.059 0.117 0.000 1.294 363 L HN -0.197 nan 8.230 nan 0.000 0.405 364 N N 3.713 122.500 118.700 0.145 0.000 2.422 364 N HA 0.246 4.995 4.740 0.014 0.000 0.264 364 N C -0.174 175.455 175.510 0.199 0.000 1.063 364 N CA -0.064 53.100 53.050 0.192 0.000 0.959 364 N CB 1.557 40.150 38.487 0.176 0.000 1.087 364 N HN 0.547 nan 8.380 nan 0.000 0.483 365 V N 2.612 122.651 119.914 0.208 0.000 2.908 365 V HA 0.353 4.482 4.120 0.014 0.000 0.369 365 V C -0.612 175.394 176.094 -0.148 0.000 1.259 365 V CA -0.331 61.984 62.300 0.025 0.000 1.406 365 V CB -1.308 30.482 31.823 -0.054 0.000 1.475 365 V HN 0.489 nan 8.190 nan 0.000 0.587 366 Y N -0.484 119.855 120.300 0.065 0.000 2.682 366 Y HA 0.506 5.064 4.550 0.014 0.000 0.251 366 Y C 1.613 177.551 175.900 0.064 0.000 1.172 366 Y CA -0.659 57.483 58.100 0.070 0.000 1.186 366 Y CB 0.147 38.669 38.460 0.104 0.000 1.216 366 Y HN 0.287 nan 8.280 nan 0.000 0.540 367 I N 0.743 121.419 120.570 0.177 0.000 2.179 367 I HA -0.172 4.006 4.170 0.014 0.000 0.242 367 I C -0.637 175.617 176.117 0.228 0.000 1.088 367 I CA 1.036 62.474 61.300 0.230 0.000 1.357 367 I CB -1.414 36.790 38.000 0.340 0.000 1.051 367 I HN 0.084 nan 8.210 nan 0.000 0.409 368 P HA -0.195 nan 4.420 nan 0.000 0.217 368 P C 1.906 179.154 177.300 -0.086 0.000 1.150 368 P CA 1.371 64.486 63.100 0.025 0.000 0.832 368 P CB -0.125 31.412 31.700 -0.271 0.000 0.787 369 M N -1.160 118.366 119.600 -0.123 0.000 2.099 369 M HA -0.121 4.368 4.480 0.014 0.000 0.262 369 M C 1.928 178.237 176.300 0.014 0.000 1.067 369 M CA 2.017 57.245 55.300 -0.121 0.000 1.124 369 M CB -1.096 31.533 32.600 0.048 0.000 1.353 369 M HN -0.075 nan 8.290 nan 0.000 0.410 370 M N 0.058 119.713 119.600 0.090 0.000 2.108 370 M HA -0.192 4.296 4.480 0.014 0.000 0.261 370 M C 2.289 178.614 176.300 0.042 0.000 1.066 370 M CA 2.058 57.409 55.300 0.084 0.000 1.107 370 M CB -0.800 31.868 32.600 0.113 0.000 1.356 370 M HN 0.442 nan 8.290 nan 0.000 0.406 371 A N 0.343 123.190 122.820 0.046 0.000 1.877 371 A HA -0.204 4.124 4.320 0.014 0.000 0.216 371 A C 2.168 179.751 177.584 -0.002 0.000 1.186 371 A CA 1.923 53.967 52.037 0.012 0.000 0.620 371 A CB -0.826 18.188 19.000 0.024 0.000 0.822 371 A HN 0.496 nan 8.150 nan 0.000 0.443 372 R N -0.097 120.392 120.500 -0.019 0.000 2.094 372 R HA -0.198 4.151 4.340 0.014 0.000 0.239 372 R C 1.903 178.199 176.300 -0.008 0.000 1.137 372 R CA 2.047 58.126 56.100 -0.036 0.000 0.943 372 R CB -0.468 29.773 30.300 -0.097 0.000 0.850 372 R HN 0.615 nan 8.270 nan 0.000 0.433 373 N N 0.652 119.352 118.700 0.001 0.000 2.106 373 N HA -0.169 4.580 4.740 0.014 0.000 0.188 373 N C 2.004 177.508 175.510 -0.011 0.000 1.029 373 N CA 1.454 54.507 53.050 0.004 0.000 0.848 373 N CB -0.183 38.315 38.487 0.018 0.000 1.007 373 N HN 0.330 nan 8.380 nan 0.000 0.423 374 I N 1.440 122.006 120.570 -0.006 0.000 2.252 374 I HA -0.200 3.978 4.170 0.014 0.000 0.245 374 I C 2.000 178.161 176.117 0.074 0.000 1.102 374 I CA 0.866 62.152 61.300 -0.023 0.000 1.385 374 I CB 0.066 38.065 38.000 -0.001 0.000 1.064 374 I HN 0.062 nan 8.210 nan 0.000 0.414 375 L N 0.351 121.643 121.223 0.114 0.000 2.093 375 L HA -0.213 4.135 4.340 0.014 0.000 0.208 375 L C 2.505 179.443 176.870 0.114 0.000 1.085 375 L CA 1.411 56.351 54.840 0.167 0.000 0.755 375 L CB -0.667 41.420 42.059 0.048 0.000 0.904 375 L HN 0.347 nan 8.230 nan 0.000 0.435 376 E N 0.082 120.309 120.200 0.044 0.000 2.077 376 E HA -0.201 4.157 4.350 0.014 0.000 0.193 376 E C 2.223 178.831 176.600 0.013 0.000 0.989 376 E CA 1.506 57.919 56.400 0.022 0.000 0.800 376 E CB 0.139 29.842 29.700 0.006 0.000 0.746 376 E HN 0.351 nan 8.360 nan 0.000 0.452 377 S N 0.070 115.752 115.700 -0.031 0.000 2.370 377 S HA -0.147 4.332 4.470 0.014 0.000 0.226 377 S C 1.549 176.095 174.600 -0.091 0.000 1.033 377 S CA 1.160 59.300 58.200 -0.099 0.000 1.011 377 S CB -0.405 62.679 63.200 -0.193 0.000 0.852 377 S HN 0.273 nan 8.310 nan 0.000 0.457 378 F N 2.080 122.016 119.950 -0.024 0.000 2.095 378 F HA -0.147 4.389 4.527 0.014 0.000 0.298 378 F C 2.842 178.632 175.800 -0.017 0.000 1.104 378 F CA 1.341 59.331 58.000 -0.017 0.000 1.232 378 F CB -1.357 37.628 39.000 -0.024 0.000 0.987 378 F HN 0.140 nan 8.300 nan 0.000 0.475 379 T N 0.695 115.348 114.554 0.166 0.000 2.674 379 T HA -0.155 4.203 4.350 0.014 0.000 0.265 379 T C 2.253 176.982 174.700 0.049 0.000 1.039 379 T CA 1.371 63.513 62.100 0.071 0.000 1.150 379 T CB -0.619 68.263 68.868 0.022 0.000 0.864 379 T HN 0.129 nan 8.240 nan 0.000 0.427 380 L N 0.437 121.678 121.223 0.029 0.000 2.012 380 L HA -0.098 4.250 4.340 0.014 0.000 0.210 380 L C 2.546 179.425 176.870 0.014 0.000 1.073 380 L CA 1.298 56.143 54.840 0.009 0.000 0.748 380 L CB -0.687 41.366 42.059 -0.011 0.000 0.891 380 L HN 0.255 nan 8.230 nan 0.000 0.431 381 L N -1.010 120.225 121.223 0.019 0.000 2.056 381 L HA -0.170 4.178 4.340 0.014 0.000 0.207 381 L C 2.652 179.560 176.870 0.062 0.000 1.078 381 L CA 1.319 56.175 54.840 0.025 0.000 0.749 381 L CB -0.784 41.280 42.059 0.009 0.000 0.901 381 L HN 0.263 nan 8.230 nan 0.000 0.433 382 T N -0.247 114.362 114.554 0.092 0.000 2.652 382 T HA -0.153 4.205 4.350 0.014 0.000 0.267 382 T C 1.701 176.448 174.700 0.079 0.000 1.039 382 T CA 1.665 63.827 62.100 0.103 0.000 1.153 382 T CB -0.237 68.706 68.868 0.125 0.000 0.863 382 T HN 0.300 nan 8.240 nan 0.000 0.428 383 N N 0.633 119.369 118.700 0.060 0.000 2.142 383 N HA -0.023 4.726 4.740 0.014 0.000 0.186 383 N C 1.892 177.433 175.510 0.052 0.000 1.023 383 N CA 0.547 53.627 53.050 0.049 0.000 0.852 383 N CB -0.780 37.726 38.487 0.032 0.000 0.998 383 N HN 0.155 nan 8.380 nan 0.000 0.424 384 V N 0.499 120.438 119.914 0.041 0.000 2.719 384 V HA -0.075 4.053 4.120 0.014 0.000 0.252 384 V C 1.996 178.146 176.094 0.093 0.000 1.065 384 V CA 1.249 63.571 62.300 0.037 0.000 1.086 384 V CB -0.352 31.460 31.823 -0.019 0.000 0.700 384 V HN 0.199 nan 8.190 nan 0.000 0.467 385 S N -0.354 115.406 115.700 0.101 0.000 2.356 385 S HA -0.185 4.293 4.470 0.014 0.000 0.223 385 S C 1.939 176.634 174.600 0.157 0.000 1.032 385 S CA 1.568 59.863 58.200 0.158 0.000 1.005 385 S CB -0.225 63.047 63.200 0.120 0.000 0.867 385 S HN 0.573 nan 8.310 nan 0.000 0.449 386 K N 0.789 121.253 120.400 0.107 0.000 2.032 386 K HA -0.040 4.288 4.320 0.014 0.000 0.209 386 K C 2.061 178.716 176.600 0.090 0.000 1.048 386 K CA 1.084 57.421 56.287 0.082 0.000 0.927 386 K CB -0.407 32.132 32.500 0.064 0.000 0.712 386 K HN 0.292 nan 8.250 nan 0.000 0.441 387 L N -0.073 121.213 121.223 0.106 0.000 2.017 387 L HA -0.197 4.151 4.340 0.014 0.000 0.208 387 L C 2.425 179.399 176.870 0.173 0.000 1.073 387 L CA 0.950 55.855 54.840 0.109 0.000 0.745 387 L CB -0.445 41.668 42.059 0.090 0.000 0.894 387 L HN 0.113 nan 8.230 nan 0.000 0.432 388 F N 0.942 120.900 119.950 0.014 0.000 2.095 388 F HA -0.244 4.291 4.527 0.013 0.000 0.298 388 F C 2.422 178.238 175.800 0.027 0.000 1.104 388 F CA 1.142 59.152 58.000 0.017 0.000 1.232 388 F CB -0.666 38.340 39.000 0.010 0.000 0.987 388 F HN 0.019 nan 8.300 nan 0.000 0.475 389 A N -0.202 122.629 122.820 0.018 0.000 1.858 389 A HA -0.231 4.098 4.320 0.014 0.000 0.216 389 A C 2.166 179.710 177.584 -0.068 0.000 1.190 389 A CA 1.963 53.940 52.037 -0.100 0.000 0.617 389 A CB -0.815 18.170 19.000 -0.026 0.000 0.827 389 A HN 0.593 nan 8.150 nan 0.000 0.443 390 Q N -1.508 118.287 119.800 -0.008 0.000 2.250 390 Q HA 0.069 4.418 4.340 0.014 0.000 0.200 390 Q C 1.765 177.764 176.000 -0.001 0.000 0.941 390 Q CA 0.727 56.525 55.803 -0.008 0.000 0.872 390 Q CB 0.147 28.890 28.738 0.008 0.000 0.965 390 Q HN 0.566 nan 8.270 nan 0.000 0.480 391 R N -1.433 119.082 120.500 0.026 0.000 2.437 391 R HA 0.194 4.542 4.340 0.014 0.000 0.257 391 R C 1.214 177.544 176.300 0.050 0.000 0.927 391 R CA 0.010 56.132 56.100 0.037 0.000 1.078 391 R CB 0.618 30.949 30.300 0.051 0.000 1.161 391 R HN 0.180 nan 8.270 nan 0.000 0.529 392 C N -0.724 118.600 119.300 0.040 0.000 2.857 392 C HA 0.304 4.772 4.460 0.014 0.000 0.328 392 C C 2.180 177.148 174.990 -0.036 0.000 1.957 392 C CA -0.154 58.892 59.018 0.048 0.000 2.134 392 C CB -0.431 27.417 27.740 0.180 0.000 1.814 392 C HN 0.298 nan 8.230 nan 0.000 0.703 393 I N 2.508 122.974 120.570 -0.173 0.000 2.179 393 I HA -0.119 4.060 4.170 0.014 0.000 0.242 393 I C 2.843 178.874 176.117 -0.144 0.000 1.088 393 I CA 1.871 63.068 61.300 -0.172 0.000 1.357 393 I CB -0.479 37.355 38.000 -0.277 0.000 1.051 393 I HN 0.503 nan 8.210 nan 0.000 0.409 394 A N 0.623 123.366 122.820 -0.127 0.000 1.940 394 A HA -0.158 4.171 4.320 0.014 0.000 0.219 394 A C 2.274 179.785 177.584 -0.120 0.000 1.176 394 A CA 2.051 54.010 52.037 -0.130 0.000 0.631 394 A CB -1.293 17.654 19.000 -0.088 0.000 0.814 394 A HN 0.499 nan 8.150 nan 0.000 0.446 395 G N -1.079 107.681 108.800 -0.066 0.000 3.042 395 G HA2 0.391 4.359 3.960 0.014 0.000 0.212 395 G HA3 0.391 4.359 3.960 0.014 0.000 0.212 395 G C 0.430 175.338 174.900 0.012 0.000 1.166 395 G CA -0.464 44.619 45.100 -0.028 0.000 0.767 395 G HN 0.389 nan 8.290 nan 0.000 0.546 396 L N 2.093 123.325 121.223 0.014 0.000 2.514 396 L HA 0.260 4.608 4.340 0.014 0.000 0.280 396 L C 0.880 177.904 176.870 0.257 0.000 1.223 396 L CA 0.160 55.090 54.840 0.150 0.000 0.864 396 L CB 0.467 42.670 42.059 0.242 0.000 1.118 396 L HN 0.147 nan 8.230 nan 0.000 0.494 397 T N 0.012 114.741 114.554 0.292 0.000 2.887 397 T HA 0.780 5.138 4.350 0.014 0.000 0.288 397 T C -0.463 174.351 174.700 0.190 0.000 1.021 397 T CA -0.861 61.420 62.100 0.303 0.000 1.000 397 T CB 2.052 71.008 68.868 0.147 0.000 1.034 397 T HN 0.678 nan 8.240 nan 0.000 0.467 398 A N 2.442 125.291 122.820 0.048 0.000 2.317 398 A HA 0.660 4.988 4.320 0.014 0.000 0.327 398 A C 0.095 177.589 177.584 -0.151 0.000 1.178 398 A CA -1.005 50.842 52.037 -0.317 0.000 0.817 398 A CB 0.502 18.907 19.000 -0.991 0.000 1.189 398 A HN 0.798 nan 8.150 nan 0.000 0.489 399 N N 2.225 120.856 118.700 -0.116 0.000 3.124 399 N HA 0.258 5.006 4.740 0.014 0.000 0.284 399 N C 1.152 176.639 175.510 -0.038 0.000 1.209 399 N CA 0.571 53.601 53.050 -0.033 0.000 1.149 399 N CB 1.045 39.545 38.487 0.021 0.000 1.434 399 N HN 0.716 nan 8.380 nan 0.000 0.529 400 A N 1.329 124.104 122.820 -0.075 0.000 1.902 400 A HA -0.196 4.132 4.320 0.014 0.000 0.217 400 A C 2.207 179.766 177.584 -0.040 0.000 1.181 400 A CA 2.115 54.099 52.037 -0.088 0.000 0.623 400 A CB -0.515 18.435 19.000 -0.083 0.000 0.818 400 A HN 0.536 nan 8.150 nan 0.000 0.443 401 E N -0.738 119.460 120.200 -0.004 0.000 2.051 401 E HA -0.279 4.079 4.350 0.014 0.000 0.192 401 E C 2.039 178.659 176.600 0.032 0.000 0.991 401 E CA 1.524 57.931 56.400 0.011 0.000 0.799 401 E CB -1.245 28.469 29.700 0.023 0.000 0.748 401 E HN 0.888 nan 8.360 nan 0.000 0.449 402 H N 0.291 119.341 119.070 -0.032 0.000 2.353 402 H HA -0.074 4.490 4.556 0.013 0.000 0.298 402 H C 2.355 177.666 175.328 -0.030 0.000 1.103 402 H CA 1.727 57.760 56.048 -0.025 0.000 1.293 402 H CB -0.093 29.657 29.762 -0.021 0.000 1.372 402 H HN 0.368 nan 8.280 nan 0.000 0.501 403 L N 0.252 121.401 121.223 -0.123 0.000 1.994 403 L HA -0.182 4.167 4.340 0.014 0.000 0.208 403 L C 3.082 179.867 176.870 -0.142 0.000 1.071 403 L CA 1.605 56.343 54.840 -0.170 0.000 0.745 403 L CB -0.513 41.475 42.059 -0.118 0.000 0.892 403 L HN 0.241 nan 8.230 nan 0.000 0.431 404 R N 0.415 120.859 120.500 -0.094 0.000 2.081 404 R HA -0.220 4.129 4.340 0.014 0.000 0.235 404 R C 2.234 178.492 176.300 -0.070 0.000 1.131 404 R CA 1.776 57.835 56.100 -0.069 0.000 0.960 404 R CB -0.193 30.080 30.300 -0.046 0.000 0.856 404 R HN 0.394 nan 8.270 nan 0.000 0.436 405 E N 0.613 120.769 120.200 -0.074 0.000 2.051 405 E HA -0.218 4.141 4.350 0.014 0.000 0.192 405 E C 2.109 178.658 176.600 -0.084 0.000 0.991 405 E CA 1.297 57.660 56.400 -0.061 0.000 0.799 405 E CB -0.106 29.573 29.700 -0.036 0.000 0.748 405 E HN 0.427 nan 8.360 nan 0.000 0.449 406 L N 0.447 121.578 121.223 -0.153 0.000 2.012 406 L HA -0.212 4.136 4.340 0.014 0.000 0.210 406 L C 2.724 179.539 176.870 -0.092 0.000 1.073 406 L CA 1.316 56.068 54.840 -0.148 0.000 0.748 406 L CB -0.473 41.441 42.059 -0.241 0.000 0.891 406 L HN 0.243 nan 8.230 nan 0.000 0.431 407 A N -0.380 122.388 122.820 -0.087 0.000 1.902 407 A HA -0.222 4.107 4.320 0.014 0.000 0.217 407 A C 2.041 179.601 177.584 -0.040 0.000 1.181 407 A CA 1.575 53.578 52.037 -0.057 0.000 0.623 407 A CB -0.464 18.505 19.000 -0.052 0.000 0.818 407 A HN 0.468 nan 8.150 nan 0.000 0.443 408 E N 0.074 120.250 120.200 -0.039 0.000 2.472 408 E HA -0.026 4.332 4.350 0.014 0.000 0.200 408 E C 1.054 177.641 176.600 -0.023 0.000 1.046 408 E CA 0.764 57.148 56.400 -0.027 0.000 0.871 408 E CB -0.019 29.666 29.700 -0.024 0.000 0.806 408 E HN 0.539 nan 8.360 nan 0.000 0.533 409 S N -0.118 115.565 115.700 -0.029 0.000 2.539 409 S HA 0.052 4.530 4.470 0.014 0.000 0.221 409 S C 0.428 175.017 174.600 -0.019 0.000 0.987 409 S CA -0.309 57.877 58.200 -0.022 0.000 0.929 409 S CB 0.800 63.985 63.200 -0.024 0.000 0.832 409 S HN -0.003 nan 8.310 nan 0.000 0.492 410 S N 2.692 118.380 115.700 -0.020 0.000 2.499 410 S HA 0.273 4.751 4.470 0.014 0.000 0.275 410 S C -1.903 172.692 174.600 -0.008 0.000 1.257 410 S CA -1.709 56.481 58.200 -0.016 0.000 1.050 410 S CB 0.863 64.052 63.200 -0.019 0.000 0.937 410 S HN -0.018 nan 8.310 nan 0.000 0.490 411 P HA -0.062 nan 4.420 nan 0.000 0.220 411 P C 1.147 178.449 177.300 0.002 0.000 1.144 411 P CA 0.910 64.010 63.100 0.001 0.000 0.800 411 P CB 0.077 31.778 31.700 0.002 0.000 0.772 412 S N -0.429 115.271 115.700 -0.001 0.000 2.442 412 S HA -0.098 4.381 4.470 0.014 0.000 0.236 412 S C 1.606 176.207 174.600 0.001 0.000 1.007 412 S CA 0.983 59.183 58.200 0.000 0.000 0.965 412 S CB -0.915 62.283 63.200 -0.003 0.000 0.773 412 S HN 0.385 nan 8.310 nan 0.000 0.504 413 I N -0.717 119.853 120.570 -0.001 0.000 3.928 413 I HA 0.205 4.383 4.170 0.014 0.000 0.335 413 I C 1.550 177.670 176.117 0.004 0.000 1.325 413 I CA -0.020 61.280 61.300 -0.000 0.000 1.107 413 I CB 0.036 38.033 38.000 -0.005 0.000 1.014 413 I HN 0.110 nan 8.210 nan 0.000 0.400 414 V N -1.840 118.079 119.914 0.008 0.000 2.871 414 V HA -0.080 4.048 4.120 0.014 0.000 0.256 414 V C 2.197 178.304 176.094 0.021 0.000 1.082 414 V CA 1.865 64.173 62.300 0.014 0.000 1.105 414 V CB -1.474 30.359 31.823 0.016 0.000 0.713 414 V HN 0.457 nan 8.190 nan 0.000 0.473 415 T N 1.744 116.310 114.554 0.020 0.000 2.653 415 T HA -0.098 4.260 4.350 0.014 0.000 0.268 415 T C -0.037 174.676 174.700 0.022 0.000 1.035 415 T CA 2.462 64.577 62.100 0.024 0.000 1.154 415 T CB -1.562 67.315 68.868 0.014 0.000 0.862 415 T HN 0.549 nan 8.240 nan 0.000 0.441 416 P HA 0.077 nan 4.420 nan 0.000 0.231 416 P C 1.046 178.355 177.300 0.015 0.000 1.158 416 P CA 0.704 63.811 63.100 0.012 0.000 0.763 416 P CB -0.359 31.345 31.700 0.007 0.000 0.805 417 L N -1.653 119.581 121.223 0.018 0.000 2.446 417 L HA 0.028 4.376 4.340 0.014 0.000 0.219 417 L C 1.888 178.774 176.870 0.027 0.000 1.116 417 L CA 0.344 55.195 54.840 0.018 0.000 0.844 417 L CB -0.735 41.332 42.059 0.014 0.000 0.970 417 L HN -0.066 nan 8.230 nan 0.000 0.457 418 N N 0.624 119.349 118.700 0.041 0.000 2.061 418 N HA -0.207 4.541 4.740 0.014 0.000 0.193 418 N C 2.041 177.581 175.510 0.051 0.000 1.030 418 N CA 1.946 55.035 53.050 0.064 0.000 0.856 418 N CB -0.424 38.113 38.487 0.083 0.000 1.023 418 N HN 0.353 nan 8.380 nan 0.000 0.424 419 S N -0.925 114.796 115.700 0.035 0.000 2.555 419 S HA 0.205 4.684 4.470 0.014 0.000 0.230 419 S C 1.621 176.233 174.600 0.021 0.000 0.978 419 S CA 0.690 58.907 58.200 0.028 0.000 0.934 419 S CB 0.072 63.284 63.200 0.020 0.000 0.766 419 S HN 0.365 nan 8.310 nan 0.000 0.533 420 A N 1.843 124.674 122.820 0.018 0.000 1.984 420 A HA 0.507 4.835 4.320 0.014 0.000 0.203 420 A C 1.970 179.559 177.584 0.008 0.000 1.292 420 A CA 0.493 52.537 52.037 0.011 0.000 0.782 420 A CB -0.221 18.783 19.000 0.008 0.000 0.924 420 A HN 0.792 nan 8.150 nan 0.000 0.475 421 I N -4.776 115.799 120.570 0.009 0.000 4.227 421 I HA 0.564 4.742 4.170 0.014 0.000 0.334 421 I C 0.760 176.871 176.117 -0.010 0.000 1.341 421 I CA 0.198 61.496 61.300 -0.003 0.000 1.123 421 I CB 0.521 38.517 38.000 -0.007 0.000 1.097 421 I HN 0.441 nan 8.210 nan 0.000 0.399 422 G N 2.274 111.082 108.800 0.014 0.000 2.721 422 G HA2 -0.328 3.641 3.960 0.014 0.000 0.686 422 G HA3 -0.328 3.641 3.960 0.014 0.000 0.686 422 G C -0.020 174.886 174.900 0.011 0.000 1.236 422 G CA 0.012 45.123 45.100 0.019 0.000 0.786 422 G HN 0.631 nan 8.290 nan 0.000 0.616 423 Y N -1.012 119.286 120.300 -0.004 0.000 2.333 423 Y HA 0.049 4.607 4.550 0.013 0.000 0.290 423 Y C 2.197 178.094 175.900 -0.004 0.000 1.144 423 Y CA 1.889 59.987 58.100 -0.004 0.000 1.228 423 Y CB -0.140 38.317 38.460 -0.004 0.000 0.985 423 Y HN 0.676 nan 8.280 nan 0.000 0.542 424 E N 0.522 120.299 120.200 -0.704 0.000 2.046 424 E HA -0.198 4.160 4.350 0.014 0.000 0.190 424 E C 1.942 178.418 176.600 -0.206 0.000 0.982 424 E CA 1.280 57.383 56.400 -0.496 0.000 0.800 424 E CB -0.137 29.243 29.700 -0.533 0.000 0.756 424 E HN 0.488 nan 8.360 nan 0.000 0.449 425 E N 1.318 121.424 120.200 -0.155 0.000 2.077 425 E HA -0.155 4.204 4.350 0.014 0.000 0.193 425 E C 1.869 178.442 176.600 -0.045 0.000 0.989 425 E CA 1.348 57.700 56.400 -0.080 0.000 0.800 425 E CB -0.224 29.440 29.700 -0.060 0.000 0.746 425 E HN 0.231 nan 8.360 nan 0.000 0.452 426 A N 0.777 123.580 122.820 -0.029 0.000 1.908 426 A HA -0.110 4.218 4.320 0.014 0.000 0.218 426 A C 2.452 180.041 177.584 0.009 0.000 1.181 426 A CA 2.179 54.220 52.037 0.005 0.000 0.627 426 A CB -1.075 17.948 19.000 0.038 0.000 0.818 426 A HN 0.391 nan 8.150 nan 0.000 0.445 427 A N -0.177 122.648 122.820 0.008 0.000 1.908 427 A HA 0.116 4.444 4.320 0.014 0.000 0.218 427 A C 2.499 180.080 177.584 -0.005 0.000 1.181 427 A CA 2.235 54.280 52.037 0.012 0.000 0.627 427 A CB -0.994 18.017 19.000 0.018 0.000 0.818 427 A HN 1.099 nan 8.150 nan 0.000 0.445 428 A N -0.786 122.020 122.820 -0.022 0.000 1.930 428 A HA 0.077 4.405 4.320 0.014 0.000 0.217 428 A C 2.213 179.789 177.584 -0.014 0.000 1.175 428 A CA 1.556 53.581 52.037 -0.021 0.000 0.627 428 A CB -0.806 18.174 19.000 -0.033 0.000 0.815 428 A HN 0.353 nan 8.150 nan 0.000 0.443 429 V N -0.056 119.851 119.914 -0.012 0.000 2.295 429 V HA -0.277 3.851 4.120 0.014 0.000 0.246 429 V C 3.078 179.170 176.094 -0.004 0.000 1.049 429 V CA 2.017 64.312 62.300 -0.007 0.000 1.024 429 V CB -1.192 30.628 31.823 -0.006 0.000 0.648 429 V HN 0.614 nan 8.190 nan 0.000 0.447 430 A N 0.140 122.960 122.820 -0.000 0.000 1.883 430 A HA -0.244 4.084 4.320 0.014 0.000 0.217 430 A C 2.466 180.050 177.584 0.000 0.000 1.186 430 A CA 2.829 54.868 52.037 0.002 0.000 0.624 430 A CB -0.766 18.238 19.000 0.007 0.000 0.822 430 A HN 0.540 nan 8.150 nan 0.000 0.444 431 K N -0.354 120.045 120.400 -0.001 0.000 2.026 431 K HA -0.160 4.168 4.320 0.014 0.000 0.208 431 K C 2.102 178.700 176.600 -0.002 0.000 1.048 431 K CA 1.905 58.191 56.287 -0.001 0.000 0.929 431 K CB -0.876 31.622 32.500 -0.003 0.000 0.713 431 K HN 0.731 nan 8.250 nan 0.000 0.439 432 Q N -0.707 119.090 119.800 -0.004 0.000 2.167 432 Q HA -0.008 4.341 4.340 0.014 0.000 0.202 432 Q C 2.349 178.347 176.000 -0.003 0.000 0.970 432 Q CA 1.307 57.108 55.803 -0.004 0.000 0.855 432 Q CB -0.287 28.448 28.738 -0.006 0.000 0.911 432 Q HN 0.584 nan 8.270 nan 0.000 0.438 433 A N 0.904 123.723 122.820 -0.003 0.000 1.877 433 A HA -0.172 4.156 4.320 0.014 0.000 0.216 433 A C 2.038 179.622 177.584 -0.001 0.000 1.186 433 A CA 1.285 53.320 52.037 -0.002 0.000 0.620 433 A CB -0.810 18.188 19.000 -0.003 0.000 0.822 433 A HN 0.458 nan 8.150 nan 0.000 0.443 434 L N -0.624 120.599 121.223 -0.001 0.000 2.042 434 L HA -0.239 4.109 4.340 0.014 0.000 0.210 434 L C 3.229 180.101 176.870 0.002 0.000 1.076 434 L CA 1.956 56.796 54.840 0.000 0.000 0.749 434 L CB -0.719 41.340 42.059 0.000 0.000 0.893 434 L HN 0.557 nan 8.230 nan 0.000 0.432 435 K N 0.409 120.809 120.400 0.001 0.000 2.097 435 K HA -0.166 4.162 4.320 0.014 0.000 0.205 435 K C 1.789 178.390 176.600 0.003 0.000 1.050 435 K CA 1.774 58.062 56.287 0.002 0.000 0.938 435 K CB -0.598 31.902 32.500 0.000 0.000 0.718 435 K HN 0.496 nan 8.250 nan 0.000 0.442 436 E N -1.632 118.569 120.200 0.002 0.000 2.474 436 E HA 0.203 4.561 4.350 0.014 0.000 0.195 436 E C 0.503 177.106 176.600 0.004 0.000 1.039 436 E CA 0.338 56.740 56.400 0.003 0.000 0.881 436 E CB 0.453 30.153 29.700 0.001 0.000 0.970 436 E HN 0.512 nan 8.360 nan 0.000 0.486 437 R N 1.408 121.911 120.500 0.005 0.000 3.267 437 R HA -0.239 4.109 4.340 0.014 0.000 0.254 437 R C -0.497 175.806 176.300 0.005 0.000 0.993 437 R CA 1.482 57.585 56.100 0.006 0.000 0.670 437 R CB -3.229 27.077 30.300 0.011 0.000 1.125 437 R HN 0.135 nan 8.270 nan 0.000 0.434 438 K N 0.180 120.580 120.400 0.001 0.000 2.295 438 K HA 0.654 4.983 4.320 0.014 0.000 0.239 438 K C 0.839 177.437 176.600 -0.004 0.000 0.991 438 K CA -0.219 56.068 56.287 -0.000 0.000 0.845 438 K CB 1.725 34.225 32.500 -0.001 0.000 1.197 438 K HN 0.520 nan 8.250 nan 0.000 0.441 439 T N -1.285 113.266 114.554 -0.005 0.000 2.856 439 T HA 0.083 4.441 4.350 0.014 0.000 0.306 439 T C 1.615 176.311 174.700 -0.006 0.000 1.062 439 T CA -0.625 61.470 62.100 -0.008 0.000 1.083 439 T CB 0.309 69.172 68.868 -0.008 0.000 0.984 439 T HN 0.308 nan 8.240 nan 0.000 0.542 440 I N 0.750 121.316 120.570 -0.007 0.000 2.163 440 I HA -0.137 4.041 4.170 0.014 0.000 0.243 440 I C 2.752 178.866 176.117 -0.004 0.000 1.085 440 I CA 1.549 62.846 61.300 -0.005 0.000 1.347 440 I CB -1.411 36.587 38.000 -0.005 0.000 1.044 440 I HN 0.854 nan 8.210 nan 0.000 0.408 441 R N 0.736 121.234 120.500 -0.005 0.000 2.112 441 R HA -0.290 4.058 4.340 0.014 0.000 0.242 441 R C 2.353 178.651 176.300 -0.004 0.000 1.137 441 R CA 2.382 58.479 56.100 -0.004 0.000 0.944 441 R CB -0.303 29.995 30.300 -0.004 0.000 0.857 441 R HN 0.268 nan 8.270 nan 0.000 0.435 442 Q N -0.065 119.732 119.800 -0.004 0.000 2.124 442 Q HA -0.096 4.252 4.340 0.014 0.000 0.202 442 Q C 1.811 177.809 176.000 -0.003 0.000 0.977 442 Q CA 2.502 58.303 55.803 -0.003 0.000 0.850 442 Q CB -0.324 28.413 28.738 -0.002 0.000 0.901 442 Q HN 0.407 nan 8.270 nan 0.000 0.429 443 T N -0.450 114.102 114.554 -0.004 0.000 2.746 443 T HA -0.112 4.247 4.350 0.014 0.000 0.267 443 T C 1.790 176.487 174.700 -0.005 0.000 1.039 443 T CA 1.371 63.468 62.100 -0.004 0.000 1.142 443 T CB -0.401 68.465 68.868 -0.004 0.000 0.866 443 T HN 0.100 nan 8.240 nan 0.000 0.444 444 V N 1.486 121.397 119.914 -0.005 0.000 2.287 444 V HA -0.174 3.954 4.120 0.014 0.000 0.248 444 V C 2.388 178.479 176.094 -0.005 0.000 1.053 444 V CA 1.557 63.854 62.300 -0.005 0.000 1.027 444 V CB -0.654 31.166 31.823 -0.004 0.000 0.646 444 V HN 0.490 nan 8.190 nan 0.000 0.447 445 I N 0.108 120.676 120.570 -0.004 0.000 2.179 445 I HA -0.241 3.937 4.170 0.014 0.000 0.242 445 I C 2.205 178.319 176.117 -0.004 0.000 1.088 445 I CA 1.723 63.021 61.300 -0.004 0.000 1.357 445 I CB -0.560 37.438 38.000 -0.003 0.000 1.051 445 I HN 0.291 nan 8.210 nan 0.000 0.409 446 D N 0.690 121.088 120.400 -0.004 0.000 2.263 446 D HA -0.122 4.526 4.640 0.014 0.000 0.208 446 D C 1.976 178.272 176.300 -0.005 0.000 0.971 446 D CA 1.011 55.008 54.000 -0.004 0.000 0.867 446 D CB -0.156 40.642 40.800 -0.004 0.000 0.929 446 D HN 0.288 nan 8.370 nan 0.000 0.492 447 R N -0.632 119.864 120.500 -0.007 0.000 2.334 447 R HA 0.236 4.585 4.340 0.014 0.000 0.220 447 R C 0.941 177.236 176.300 -0.009 0.000 0.917 447 R CA 0.378 56.473 56.100 -0.009 0.000 1.073 447 R CB 0.510 30.804 30.300 -0.011 0.000 1.056 447 R HN 0.063 nan 8.270 nan 0.000 0.506 448 G N 1.312 110.108 108.800 -0.007 0.000 2.198 448 G HA2 -0.259 3.710 3.960 0.014 0.000 0.257 448 G HA3 -0.259 3.710 3.960 0.014 0.000 0.257 448 G C 0.484 175.379 174.900 -0.007 0.000 1.042 448 G CA -0.041 45.055 45.100 -0.007 0.000 0.791 448 G HN 0.315 nan 8.290 nan 0.000 0.502 449 L N -0.460 120.759 121.223 -0.007 0.000 2.446 449 L HA 0.261 4.609 4.340 0.014 0.000 0.219 449 L C 1.325 178.192 176.870 -0.005 0.000 1.116 449 L CA -0.130 54.705 54.840 -0.007 0.000 0.844 449 L CB -0.097 41.957 42.059 -0.008 0.000 0.970 449 L HN 0.215 nan 8.230 nan 0.000 0.457 450 I N 0.517 121.085 120.570 -0.004 0.000 2.529 450 I HA 0.318 4.496 4.170 0.014 0.000 0.284 450 I C 0.997 177.112 176.117 -0.003 0.000 1.082 450 I CA 0.719 62.017 61.300 -0.003 0.000 1.406 450 I CB 0.265 38.263 38.000 -0.003 0.000 1.405 450 I HN 0.231 nan 8.210 nan 0.000 0.548 451 G N 4.240 113.038 108.800 -0.002 0.000 2.061 451 G HA2 -0.093 3.876 3.960 0.014 0.000 0.059 451 G HA3 -0.093 3.876 3.960 0.014 0.000 0.059 451 G C 0.405 175.304 174.900 -0.002 0.000 1.013 451 G CA 0.466 45.564 45.100 -0.002 0.000 1.185 451 G HN 0.470 nan 8.290 nan 0.000 0.410 452 D N 0.424 120.822 120.400 -0.002 0.000 2.162 452 D HA 0.135 4.783 4.640 0.014 0.000 0.203 452 D C 2.150 178.449 176.300 -0.002 0.000 0.967 452 D CA 2.150 56.149 54.000 -0.002 0.000 0.840 452 D CB -0.273 40.526 40.800 -0.002 0.000 0.972 452 D HN 0.429 nan 8.370 nan 0.000 0.482 453 K N -1.010 119.388 120.400 -0.002 0.000 2.020 453 K HA 0.078 4.407 4.320 0.014 0.000 0.212 453 K C 1.014 177.614 176.600 -0.001 0.000 1.050 453 K CA 1.262 57.548 56.287 -0.002 0.000 0.929 453 K CB -0.345 32.152 32.500 -0.004 0.000 0.714 453 K HN 0.704 nan 8.250 nan 0.000 0.443 454 L N -3.675 117.548 121.223 -0.001 0.000 2.653 454 L HA 0.461 4.809 4.340 0.014 0.000 0.257 454 L C -0.722 176.147 176.870 -0.001 0.000 0.969 454 L CA -1.027 53.813 54.840 -0.000 0.000 0.869 454 L CB 1.997 44.056 42.059 0.001 0.000 1.439 454 L HN 0.012 nan 8.230 nan 0.000 0.414 455 S N 1.345 117.045 115.700 -0.000 0.000 2.652 455 S HA 0.384 4.862 4.470 0.014 0.000 0.270 455 S C 0.805 175.405 174.600 -0.000 0.000 1.243 455 S CA -0.683 57.517 58.200 -0.000 0.000 0.999 455 S CB 1.623 64.823 63.200 -0.000 0.000 0.973 455 S HN 0.759 nan 8.310 nan 0.000 0.544 456 L N 1.821 123.043 121.223 -0.001 0.000 2.042 456 L HA 0.009 4.357 4.340 0.014 0.000 0.210 456 L C 3.102 179.971 176.870 -0.000 0.000 1.076 456 L CA 2.710 57.550 54.840 -0.001 0.000 0.749 456 L CB -1.897 40.162 42.059 -0.001 0.000 0.893 456 L HN 1.056 nan 8.230 nan 0.000 0.432 457 E N -0.673 119.527 120.200 -0.000 0.000 2.058 457 E HA -0.307 4.051 4.350 0.014 0.000 0.194 457 E C 2.084 178.685 176.600 0.000 0.000 0.997 457 E CA 1.458 57.858 56.400 0.000 0.000 0.801 457 E CB -0.878 28.822 29.700 0.000 0.000 0.746 457 E HN 0.621 nan 8.360 nan 0.000 0.450 458 E N -0.274 119.926 120.200 0.001 0.000 2.110 458 E HA -0.084 4.274 4.350 0.014 0.000 0.193 458 E C 1.967 178.567 176.600 0.001 0.000 0.988 458 E CA 1.141 57.541 56.400 0.001 0.000 0.804 458 E CB -0.315 29.386 29.700 0.001 0.000 0.745 458 E HN 0.454 nan 8.360 nan 0.000 0.458 459 L N 0.731 121.955 121.223 0.001 0.000 2.046 459 L HA -0.135 4.213 4.340 0.014 0.000 0.208 459 L C 1.413 178.283 176.870 -0.000 0.000 1.077 459 L CA 2.083 56.923 54.840 0.000 0.000 0.747 459 L CB -0.508 41.551 42.059 -0.001 0.000 0.896 459 L HN 0.073 nan 8.230 nan 0.000 0.432 460 D N -0.823 119.577 120.400 -0.001 0.000 2.183 460 D HA -0.161 4.487 4.640 0.014 0.000 0.203 460 D C 2.230 178.530 176.300 -0.001 0.000 0.969 460 D CA 0.847 54.846 54.000 -0.001 0.000 0.842 460 D CB -0.085 40.715 40.800 -0.001 0.000 0.957 460 D HN 0.370 nan 8.370 nan 0.000 0.484 461 R N 0.886 121.386 120.500 0.000 0.000 2.070 461 R HA -0.049 4.300 4.340 0.014 0.000 0.233 461 R C 2.155 178.456 176.300 0.001 0.000 1.137 461 R CA 1.092 57.192 56.100 0.001 0.000 0.945 461 R CB 0.092 30.393 30.300 0.001 0.000 0.845 461 R HN 0.044 nan 8.270 nan 0.000 0.430 462 R N -0.087 120.414 120.500 0.001 0.000 2.148 462 R HA -0.009 4.339 4.340 0.014 0.000 0.227 462 R C 1.492 177.793 176.300 0.001 0.000 1.103 462 R CA 0.888 56.990 56.100 0.002 0.000 0.983 462 R CB 0.022 30.324 30.300 0.004 0.000 0.874 462 R HN 0.275 nan 8.270 nan 0.000 0.451 463 L N 0.886 122.109 121.223 -0.000 0.000 2.791 463 L HA 0.141 4.489 4.340 0.014 0.000 0.239 463 L C -0.001 176.867 176.870 -0.004 0.000 1.203 463 L CA -0.379 54.460 54.840 -0.002 0.000 1.002 463 L CB 0.193 42.251 42.059 -0.003 0.000 1.295 463 L HN -0.013 nan 8.230 nan 0.000 0.504 464 D N 1.258 121.656 120.400 -0.003 0.000 2.367 464 D HA 0.025 4.673 4.640 0.014 0.000 0.255 464 D C 1.337 177.634 176.300 -0.005 0.000 1.300 464 D CA 0.007 54.005 54.000 -0.004 0.000 0.959 464 D CB 1.325 42.124 40.800 -0.002 0.000 1.064 464 D HN 0.122 nan 8.370 nan 0.000 0.509 465 V N 2.811 122.720 119.914 -0.008 0.000 2.548 465 V HA -0.150 3.978 4.120 0.014 0.000 0.249 465 V C 2.240 178.329 176.094 -0.008 0.000 1.055 465 V CA 0.629 62.923 62.300 -0.010 0.000 1.065 465 V CB -0.763 31.050 31.823 -0.016 0.000 0.681 465 V HN 0.421 nan 8.190 nan 0.000 0.462 466 L N 1.856 123.074 121.223 -0.007 0.000 2.046 466 L HA 0.063 4.412 4.340 0.014 0.000 0.208 466 L C 2.653 179.522 176.870 -0.001 0.000 1.077 466 L CA 2.306 57.144 54.840 -0.004 0.000 0.747 466 L CB -1.172 40.886 42.059 -0.002 0.000 0.896 466 L HN 0.311 nan 8.230 nan 0.000 0.432 467 A N -0.834 121.985 122.820 -0.001 0.000 1.933 467 A HA -0.247 4.081 4.320 0.014 0.000 0.218 467 A C 2.291 179.875 177.584 -0.000 0.000 1.175 467 A CA 2.118 54.156 52.037 0.000 0.000 0.628 467 A CB -0.589 18.411 19.000 0.000 0.000 0.814 467 A HN 0.549 nan 8.150 nan 0.000 0.444 468 M N -0.684 118.916 119.600 -0.002 0.000 2.213 468 M HA -0.140 4.349 4.480 0.014 0.000 0.263 468 M C 2.378 178.677 176.300 -0.002 0.000 1.062 468 M CA 1.259 56.558 55.300 -0.002 0.000 1.105 468 M CB -0.316 32.282 32.600 -0.003 0.000 1.385 468 M HN 0.487 nan 8.290 nan 0.000 0.417 469 A N -0.002 122.817 122.820 -0.001 0.000 2.067 469 A HA -0.103 4.226 4.320 0.014 0.000 0.219 469 A C 1.023 178.608 177.584 0.002 0.000 1.158 469 A CA 0.851 52.888 52.037 -0.000 0.000 0.661 469 A CB -0.364 18.637 19.000 0.001 0.000 0.801 469 A HN 0.521 nan 8.150 nan 0.000 0.452 470 K N -0.926 119.475 120.400 0.002 0.000 3.150 470 K HA -0.118 4.211 4.320 0.014 0.000 0.267 470 K C -0.518 176.085 176.600 0.004 0.000 1.028 470 K CA 0.375 56.663 56.287 0.003 0.000 0.753 470 K CB -2.071 30.430 32.500 0.001 0.000 1.288 470 K HN 0.272 nan 8.250 nan 0.000 0.473 471 V N 0.880 120.798 119.914 0.007 0.000 2.557 471 V HA 0.165 4.294 4.120 0.014 0.000 0.301 471 V C 1.200 177.299 176.094 0.008 0.000 1.026 471 V CA 1.296 63.602 62.300 0.010 0.000 1.137 471 V CB 0.583 32.415 31.823 0.015 0.000 0.917 471 V HN 0.501 nan 8.190 nan 0.000 0.484 472 E N 0.000 120.204 120.200 0.007 0.000 2.725 472 E HA 0.000 4.358 4.350 0.014 0.000 0.291 472 E CA 0.000 56.403 56.400 0.006 0.000 0.976 472 E CB 0.000 29.702 29.700 0.004 0.000 0.812 472 E HN 0.000 nan 8.360 nan 0.000 0.440