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 3oee_1_L DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAS AQXXSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.480 175.510 -0.050 0.000 1.280 26 N CA 0.000 53.033 53.050 -0.028 0.000 0.885 26 N CB 0.000 38.473 38.487 -0.024 0.000 1.341 27 L N -0.154 121.027 121.223 -0.069 0.000 2.610 27 L HA 0.200 4.540 4.340 -0.000 0.000 0.232 27 L C 1.359 178.148 176.870 -0.135 0.000 1.149 27 L CA 0.095 54.860 54.840 -0.124 0.000 0.872 27 L CB -0.158 41.788 42.059 -0.190 0.000 0.992 27 L HN 0.312 nan 8.230 nan 0.000 0.447 28 N N 0.111 118.755 118.700 -0.093 0.000 2.300 28 N HA -0.093 4.647 4.740 -0.000 0.000 0.179 28 N C 1.465 176.930 175.510 -0.075 0.000 1.016 28 N CA 1.008 54.009 53.050 -0.082 0.000 0.876 28 N CB 0.262 38.714 38.487 -0.058 0.000 0.979 28 N HN 0.323 nan 8.380 nan 0.000 0.432 29 E N -0.594 119.565 120.200 -0.068 0.000 2.514 29 E HA 0.095 4.445 4.350 -0.000 0.000 0.215 29 E C 0.389 176.947 176.600 -0.071 0.000 0.946 29 E CA 0.237 56.601 56.400 -0.060 0.000 1.038 29 E CB 0.893 30.567 29.700 -0.044 0.000 1.069 29 E HN 0.330 nan 8.360 nan 0.000 0.503 30 T N -1.934 112.572 114.554 -0.080 0.000 2.916 30 T HA 0.785 5.135 4.350 -0.000 0.000 0.292 30 T C 0.234 174.869 174.700 -0.107 0.000 1.064 30 T CA -0.699 61.348 62.100 -0.088 0.000 1.011 30 T CB 2.580 71.410 68.868 -0.064 0.000 1.152 30 T HN -0.016 nan 8.240 nan 0.000 0.510 31 G N 0.523 109.255 108.800 -0.112 0.000 2.642 31 G HA2 0.674 4.634 3.960 -0.000 0.000 0.293 31 G HA3 0.674 4.634 3.960 -0.000 0.000 0.293 31 G C -1.379 173.494 174.900 -0.044 0.000 1.341 31 G CA -1.069 43.973 45.100 -0.098 0.000 0.916 31 G HN 0.688 nan 8.290 nan 0.000 0.474 32 R N 0.299 120.822 120.500 0.039 0.000 2.562 32 R HA 0.436 4.776 4.340 -0.000 0.000 0.298 32 R C -0.559 175.807 176.300 0.110 0.000 0.961 32 R CA -0.793 55.353 56.100 0.077 0.000 0.881 32 R CB 2.045 32.412 30.300 0.112 0.000 1.159 32 R HN 0.319 nan 8.270 nan 0.000 0.450 33 V N 5.136 125.113 119.914 0.104 0.000 2.485 33 V HA -0.028 4.092 4.120 -0.000 0.000 0.287 33 V C 1.855 178.010 176.094 0.103 0.000 1.022 33 V CA 0.370 62.750 62.300 0.133 0.000 1.067 33 V CB 0.307 32.241 31.823 0.184 0.000 0.967 33 V HN 0.662 nan 8.190 nan 0.000 0.479 34 L N 4.358 125.639 121.223 0.098 0.000 2.209 34 L HA 0.351 4.690 4.340 -0.000 0.000 0.207 34 L C 0.935 177.829 176.870 0.040 0.000 1.094 34 L CA 1.200 56.073 54.840 0.055 0.000 0.790 34 L CB -0.034 42.054 42.059 0.049 0.000 0.932 34 L HN 0.797 nan 8.230 nan 0.000 0.447 35 A N -0.902 121.949 122.820 0.052 0.000 2.582 35 A HA 0.615 4.935 4.320 -0.000 0.000 0.297 35 A C -1.721 175.885 177.584 0.037 0.000 1.059 35 A CA -0.390 51.667 52.037 0.033 0.000 0.705 35 A CB 1.689 20.700 19.000 0.019 0.000 1.279 35 A HN -0.229 nan 8.150 nan 0.000 0.404 36 V N 0.898 120.822 119.914 0.015 0.000 2.808 36 V HA 0.956 5.076 4.120 -0.000 0.000 0.308 36 V C -0.139 175.940 176.094 -0.025 0.000 1.099 36 V CA 0.842 63.138 62.300 -0.008 0.000 0.920 36 V CB 1.945 33.756 31.823 -0.020 0.000 1.014 36 V HN 2.461 nan 8.190 nan 0.000 0.425 37 G N 3.328 112.105 108.800 -0.038 0.000 2.442 37 G HA2 0.492 4.452 3.960 -0.000 0.000 0.296 37 G HA3 0.492 4.452 3.960 -0.000 0.000 0.296 37 G C -0.941 173.932 174.900 -0.044 0.000 1.564 37 G CA 0.067 45.144 45.100 -0.039 0.000 0.828 37 G HN 0.918 nan 8.290 nan 0.000 0.571 38 D N -0.470 119.905 120.400 -0.042 0.000 2.723 38 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 38 D C 1.620 177.889 176.300 -0.052 0.000 1.138 38 D CA 2.672 56.648 54.000 -0.041 0.000 0.676 38 D CB -1.211 39.568 40.800 -0.036 0.000 1.069 38 D HN 2.278 nan 8.370 nan 0.000 0.430 39 G N -0.906 107.854 108.800 -0.067 0.000 2.187 39 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.261 39 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.261 39 G C 0.244 175.084 174.900 -0.101 0.000 1.000 39 G CA 0.550 45.596 45.100 -0.089 0.000 0.718 39 G HN 0.503 nan 8.290 nan 0.000 0.519 40 I N 0.456 120.978 120.570 -0.081 0.000 2.474 40 I HA 0.741 4.911 4.170 -0.000 0.000 0.294 40 I C 0.342 176.435 176.117 -0.040 0.000 1.005 40 I CA -1.323 59.940 61.300 -0.062 0.000 1.113 40 I CB 1.565 39.538 38.000 -0.045 0.000 1.289 40 I HN 0.349 nan 8.210 nan 0.000 0.436 41 A N 6.913 129.736 122.820 0.005 0.000 2.330 41 A HA 0.729 5.049 4.320 -0.000 0.000 0.313 41 A C -0.260 177.383 177.584 0.100 0.000 1.124 41 A CA -0.732 51.353 52.037 0.081 0.000 0.774 41 A CB 0.908 20.035 19.000 0.212 0.000 1.198 41 A HN 0.682 nan 8.150 nan 0.000 0.465 42 R N 1.212 121.760 120.500 0.080 0.000 2.221 42 R HA 0.530 4.870 4.340 -0.000 0.000 0.327 42 R C -1.002 175.361 176.300 0.104 0.000 1.033 42 R CA -0.140 56.006 56.100 0.076 0.000 0.887 42 R CB 1.363 31.695 30.300 0.054 0.000 1.057 42 R HN 0.466 nan 8.270 nan 0.000 0.455 43 V N 4.434 124.408 119.914 0.100 0.000 2.540 43 V HA 0.347 4.467 4.120 -0.000 0.000 0.302 43 V C -0.734 175.440 176.094 0.133 0.000 1.035 43 V CA -0.903 61.458 62.300 0.101 0.000 0.873 43 V CB 1.581 33.425 31.823 0.034 0.000 0.992 43 V HN 0.530 nan 8.190 nan 0.000 0.428 44 F N 3.811 123.757 119.950 -0.007 0.000 2.404 44 F HA 0.807 5.334 4.527 -0.000 0.000 0.345 44 F C 0.780 176.568 175.800 -0.021 0.000 1.110 44 F CA 1.143 59.137 58.000 -0.011 0.000 1.130 44 F CB 1.057 40.053 39.000 -0.005 0.000 1.129 44 F HN 0.929 nan 8.300 nan 0.000 0.500 45 G N 4.241 112.584 108.800 -0.762 0.000 2.501 45 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.213 45 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.213 45 G C 0.032 174.755 174.900 -0.295 0.000 1.158 45 G CA -0.468 44.289 45.100 -0.573 0.000 1.079 45 G HN 1.260 nan 8.290 nan 0.000 0.586 46 L N 0.217 121.320 121.223 -0.200 0.000 3.941 46 L HA -0.236 4.104 4.340 -0.000 0.000 0.455 46 L C 1.620 178.415 176.870 -0.125 0.000 1.179 46 L CA 0.538 55.295 54.840 -0.138 0.000 0.782 46 L CB -1.363 40.627 42.059 -0.115 0.000 1.679 46 L HN 0.600 nan 8.230 nan 0.000 0.871 47 N N 0.389 119.004 118.700 -0.141 0.000 2.205 47 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 47 N C 1.240 176.705 175.510 -0.074 0.000 1.015 47 N CA 1.538 54.520 53.050 -0.114 0.000 0.862 47 N CB -0.125 38.294 38.487 -0.115 0.000 0.986 47 N HN 0.582 nan 8.380 nan 0.000 0.429 48 N N 0.393 119.053 118.700 -0.066 0.000 2.230 48 N HA 0.145 4.885 4.740 -0.000 0.000 0.202 48 N C 0.406 175.893 175.510 -0.038 0.000 1.119 48 N CA -0.166 52.857 53.050 -0.046 0.000 0.851 48 N CB 0.849 39.311 38.487 -0.040 0.000 0.990 48 N HN 0.292 nan 8.380 nan 0.000 0.497 49 I N 1.083 121.627 120.570 -0.043 0.000 2.938 49 I HA -0.087 4.083 4.170 -0.000 0.000 0.285 49 I C 0.070 176.175 176.117 -0.019 0.000 1.182 49 I CA 0.033 61.314 61.300 -0.032 0.000 1.388 49 I CB 0.650 38.627 38.000 -0.039 0.000 1.390 49 I HN 0.021 nan 8.210 nan 0.000 0.600 50 Q N 4.686 124.481 119.800 -0.008 0.000 2.266 50 Q HA 0.562 4.901 4.340 -0.000 0.000 0.261 50 Q C -0.398 175.606 176.000 0.007 0.000 0.985 50 Q CA -0.969 54.834 55.803 -0.000 0.000 0.873 50 Q CB 1.697 30.438 28.738 0.004 0.000 1.306 50 Q HN 0.753 nan 8.270 nan 0.000 0.447 51 A N 2.342 125.167 122.820 0.009 0.000 2.545 51 A HA 0.008 4.328 4.320 -0.000 0.000 0.253 51 A C 0.026 177.624 177.584 0.024 0.000 1.074 51 A CA 0.517 52.563 52.037 0.016 0.000 0.760 51 A CB -0.364 18.646 19.000 0.017 0.000 1.005 51 A HN 0.933 nan 8.150 nan 0.000 0.506 52 E N -0.174 120.046 120.200 0.033 0.000 3.169 52 E HA -0.155 4.195 4.350 -0.000 0.000 0.305 52 E C -0.072 176.566 176.600 0.064 0.000 0.912 52 E CA 0.975 57.406 56.400 0.051 0.000 1.029 52 E CB -1.467 28.260 29.700 0.045 0.000 1.514 52 E HN 0.937 nan 8.360 nan 0.000 0.412 53 E N 1.160 121.391 120.200 0.052 0.000 2.249 53 E HA 0.365 4.715 4.350 -0.000 0.000 0.280 53 E C -0.384 176.268 176.600 0.086 0.000 1.016 53 E CA -0.655 55.779 56.400 0.056 0.000 0.830 53 E CB 0.903 30.619 29.700 0.028 0.000 1.081 53 E HN 0.132 nan 8.360 nan 0.000 0.395 54 L N 5.694 126.986 121.223 0.114 0.000 2.455 54 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 54 L C -0.682 176.251 176.870 0.105 0.000 1.174 54 L CA 0.121 55.061 54.840 0.167 0.000 0.869 54 L CB 0.914 43.070 42.059 0.162 0.000 1.130 54 L HN 0.393 nan 8.230 nan 0.000 0.474 55 V N 1.521 121.505 119.914 0.117 0.000 2.960 55 V HA 0.670 4.790 4.120 -0.000 0.000 0.315 55 V C -0.566 175.581 176.094 0.089 0.000 1.087 55 V CA -0.831 61.490 62.300 0.035 0.000 0.982 55 V CB 1.905 33.677 31.823 -0.086 0.000 1.039 55 V HN 0.809 nan 8.190 nan 0.000 0.437 56 E N 2.015 122.223 120.200 0.014 0.000 2.145 56 E HA 0.532 4.882 4.350 -0.000 0.000 0.270 56 E C -1.528 175.074 176.600 0.003 0.000 0.906 56 E CA -0.361 56.086 56.400 0.079 0.000 0.761 56 E CB 1.819 31.553 29.700 0.056 0.000 1.116 56 E HN 0.639 nan 8.360 nan 0.000 0.408 57 F N 1.304 121.277 119.950 0.039 0.000 2.389 57 F HA 0.024 4.551 4.527 -0.000 0.000 0.337 57 F C 1.932 177.748 175.800 0.027 0.000 1.112 57 F CA 0.017 58.035 58.000 0.029 0.000 1.192 57 F CB 1.344 40.361 39.000 0.028 0.000 1.185 57 F HN 0.493 nan 8.300 nan 0.000 0.552 58 S N -0.182 115.623 115.700 0.176 0.000 2.402 58 S HA -0.177 4.293 4.470 -0.000 0.000 0.229 58 S C 2.042 176.707 174.600 0.108 0.000 1.021 58 S CA 1.059 59.322 58.200 0.105 0.000 0.974 58 S CB -0.894 62.347 63.200 0.069 0.000 0.800 58 S HN 0.694 nan 8.310 nan 0.000 0.484 59 S N 0.808 116.588 115.700 0.132 0.000 2.442 59 S HA 0.289 4.759 4.470 -0.000 0.000 0.236 59 S C 1.676 176.324 174.600 0.081 0.000 1.007 59 S CA 1.170 59.424 58.200 0.090 0.000 0.965 59 S CB -0.739 62.506 63.200 0.075 0.000 0.773 59 S HN 1.309 nan 8.310 nan 0.000 0.504 60 G N 0.019 108.887 108.800 0.113 0.000 3.465 60 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.196 60 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.196 60 G C 0.088 175.061 174.900 0.121 0.000 1.170 60 G CA -0.224 44.934 45.100 0.096 0.000 0.887 60 G HN 0.865 nan 8.290 nan 0.000 0.444 61 V N 2.658 122.636 119.914 0.108 0.000 2.901 61 V HA 0.454 4.574 4.120 -0.000 0.000 0.307 61 V C 0.380 176.613 176.094 0.231 0.000 1.084 61 V CA 0.603 62.966 62.300 0.105 0.000 1.184 61 V CB 0.957 32.767 31.823 -0.021 0.000 0.941 61 V HN 0.412 nan 8.190 nan 0.000 0.493 62 K N 4.130 124.685 120.400 0.259 0.000 2.166 62 K HA 0.791 5.111 4.320 -0.000 0.000 0.245 62 K C -0.017 176.821 176.600 0.397 0.000 0.967 62 K CA -0.126 56.383 56.287 0.370 0.000 0.863 62 K CB 1.899 34.607 32.500 0.347 0.000 1.107 62 K HN 0.931 nan 8.250 nan 0.000 0.436 63 G N 0.424 109.449 108.800 0.375 0.000 2.788 63 G HA2 0.604 4.564 3.960 -0.000 0.000 0.293 63 G HA3 0.604 4.564 3.960 -0.000 0.000 0.293 63 G C -1.779 173.133 174.900 0.021 0.000 1.392 63 G CA -0.712 44.412 45.100 0.040 0.000 0.810 63 G HN 0.476 nan 8.290 nan 0.000 0.508 64 M N 0.748 120.229 119.600 -0.199 0.000 2.326 64 M HA 0.680 5.160 4.480 -0.000 0.000 0.306 64 M C -0.395 175.892 176.300 -0.022 0.000 1.054 64 M CA -0.853 54.431 55.300 -0.027 0.000 0.922 64 M CB 1.992 34.568 32.600 -0.040 0.000 1.632 64 M HN 0.730 nan 8.290 nan 0.000 0.436 65 A N 5.328 128.160 122.820 0.019 0.000 2.354 65 A HA 0.501 4.821 4.320 -0.000 0.000 0.281 65 A C -0.058 177.530 177.584 0.006 0.000 1.174 65 A CA -0.419 51.623 52.037 0.008 0.000 0.828 65 A CB 0.098 19.102 19.000 0.007 0.000 1.099 65 A HN 1.079 nan 8.150 nan 0.000 0.516 66 L N 1.482 122.701 121.223 -0.005 0.000 2.694 66 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 66 L C -0.022 176.849 176.870 0.002 0.000 1.048 66 L CA 0.091 54.929 54.840 -0.004 0.000 0.887 66 L CB 0.103 42.145 42.059 -0.027 0.000 1.265 66 L HN 0.562 nan 8.230 nan 0.000 0.492 67 N N 1.430 120.129 118.700 -0.002 0.000 2.457 67 N HA 0.384 5.124 4.740 -0.000 0.000 0.250 67 N C -0.911 174.602 175.510 0.005 0.000 0.982 67 N CA 0.014 53.066 53.050 0.002 0.000 0.941 67 N CB 1.344 39.831 38.487 -0.000 0.000 1.120 67 N HN 0.039 nan 8.380 nan 0.000 0.505 68 L N 2.635 123.861 121.223 0.005 0.000 2.264 68 L HA 0.385 4.725 4.340 -0.000 0.000 0.287 68 L C 0.372 177.245 176.870 0.006 0.000 1.039 68 L CA -0.377 54.465 54.840 0.003 0.000 0.829 68 L CB 0.520 42.579 42.059 -0.001 0.000 1.211 68 L HN 0.316 nan 8.230 nan 0.000 0.427 69 E N 3.351 123.558 120.200 0.011 0.000 2.263 69 E HA 0.352 4.702 4.350 -0.000 0.000 0.264 69 E C -1.816 174.798 176.600 0.023 0.000 0.923 69 E CA -1.888 54.522 56.400 0.017 0.000 0.802 69 E CB 1.533 31.246 29.700 0.022 0.000 1.228 69 E HN 0.232 nan 8.360 nan 0.000 0.417 70 P HA -0.247 nan 4.420 nan 0.000 0.214 70 P C 1.110 178.442 177.300 0.054 0.000 1.164 70 P CA 1.860 64.979 63.100 0.031 0.000 0.942 70 P CB 0.021 31.740 31.700 0.032 0.000 0.791 71 G N -2.160 106.691 108.800 0.084 0.000 2.986 71 G HA2 0.071 4.031 3.960 -0.000 0.000 0.213 71 G HA3 0.071 4.031 3.960 -0.000 0.000 0.213 71 G C 0.353 175.386 174.900 0.221 0.000 1.156 71 G CA 0.046 45.247 45.100 0.169 0.000 0.763 71 G HN 0.491 nan 8.290 nan 0.000 0.547 72 Q N -1.186 118.687 119.800 0.121 0.000 2.565 72 Q HA 0.669 5.009 4.340 -0.000 0.000 0.294 72 Q C -2.028 174.002 176.000 0.050 0.000 1.005 72 Q CA -0.914 54.957 55.803 0.115 0.000 0.771 72 Q CB 2.128 30.934 28.738 0.113 0.000 1.486 72 Q HN -0.093 nan 8.270 nan 0.000 0.422 73 V N 0.263 120.202 119.914 0.043 0.000 2.604 73 V HA 0.680 4.800 4.120 -0.000 0.000 0.305 73 V C 0.046 176.158 176.094 0.031 0.000 1.043 73 V CA -0.409 61.904 62.300 0.020 0.000 0.888 73 V CB 1.752 33.574 31.823 -0.002 0.000 0.995 73 V HN 0.867 nan 8.190 nan 0.000 0.429 74 G N 4.612 113.423 108.800 0.019 0.000 2.327 74 G HA2 0.666 4.626 3.960 -0.000 0.000 0.302 74 G HA3 0.666 4.626 3.960 -0.000 0.000 0.302 74 G C -0.715 174.192 174.900 0.011 0.000 1.113 74 G CA -0.241 44.867 45.100 0.015 0.000 0.921 74 G HN 0.600 nan 8.290 nan 0.000 0.425 75 I N 2.907 123.496 120.570 0.032 0.000 2.418 75 I HA 0.235 4.405 4.170 -0.000 0.000 0.287 75 I C 0.170 176.278 176.117 -0.015 0.000 1.008 75 I CA -1.192 60.130 61.300 0.036 0.000 1.104 75 I CB 2.253 40.338 38.000 0.142 0.000 1.264 75 I HN 0.351 nan 8.210 nan 0.000 0.438 76 V N 5.522 125.372 119.914 -0.107 0.000 2.498 76 V HA 0.486 4.606 4.120 -0.000 0.000 0.279 76 V C 0.009 175.923 176.094 -0.299 0.000 1.048 76 V CA -0.648 61.539 62.300 -0.188 0.000 0.967 76 V CB 0.978 32.668 31.823 -0.222 0.000 0.988 76 V HN 0.496 nan 8.190 nan 0.000 0.473 77 L N 3.953 125.024 121.223 -0.252 0.000 2.375 77 L HA 0.428 4.768 4.340 -0.000 0.000 0.271 77 L C 0.251 176.979 176.870 -0.237 0.000 1.107 77 L CA -0.367 54.321 54.840 -0.254 0.000 0.806 77 L CB 0.824 42.746 42.059 -0.227 0.000 1.146 77 L HN 0.582 nan 8.230 nan 0.000 0.447 78 F N 1.202 121.169 119.950 0.027 0.000 2.701 78 F HA 0.365 4.892 4.527 -0.000 0.000 0.295 78 F C 1.064 176.877 175.800 0.022 0.000 1.165 78 F CA -0.284 57.741 58.000 0.043 0.000 1.399 78 F CB 0.029 39.068 39.000 0.064 0.000 0.996 78 F HN 0.580 nan 8.300 nan 0.000 0.513 79 G N -1.289 107.583 108.800 0.121 0.000 2.450 79 G HA2 0.287 4.247 3.960 -0.000 0.000 0.273 79 G HA3 0.287 4.247 3.960 -0.000 0.000 0.273 79 G C -1.186 173.713 174.900 -0.001 0.000 1.221 79 G CA -0.597 44.543 45.100 0.066 0.000 0.900 79 G HN -0.068 nan 8.290 nan 0.000 0.483 80 S N -0.421 115.270 115.700 -0.014 0.000 2.601 80 S HA 0.403 4.873 4.470 -0.000 0.000 0.271 80 S C 0.948 175.496 174.600 -0.085 0.000 1.305 80 S CA 0.578 58.756 58.200 -0.037 0.000 1.022 80 S CB 1.113 64.301 63.200 -0.020 0.000 0.940 80 S HN 0.623 nan 8.310 nan 0.000 0.525 81 D N 2.269 122.613 120.400 -0.092 0.000 2.350 81 D HA 0.069 4.709 4.640 -0.000 0.000 0.213 81 D C 1.589 177.839 176.300 -0.083 0.000 1.031 81 D CA 0.040 53.966 54.000 -0.124 0.000 0.861 81 D CB -0.117 40.612 40.800 -0.118 0.000 0.926 81 D HN 0.439 nan 8.370 nan 0.000 0.520 82 R N -0.010 120.458 120.500 -0.053 0.000 2.234 82 R HA -0.194 4.146 4.340 -0.000 0.000 0.262 82 R C 1.174 177.457 176.300 -0.028 0.000 1.150 82 R CA 1.822 57.904 56.100 -0.032 0.000 0.981 82 R CB -0.301 29.987 30.300 -0.020 0.000 0.899 82 R HN 0.360 nan 8.270 nan 0.000 0.458 83 L N -0.322 120.880 121.223 -0.035 0.000 2.858 83 L HA 0.211 4.551 4.340 -0.000 0.000 0.251 83 L C -0.014 176.847 176.870 -0.015 0.000 1.149 83 L CA -0.400 54.431 54.840 -0.016 0.000 0.955 83 L CB 0.969 43.026 42.059 -0.002 0.000 1.289 83 L HN -0.164 nan 8.230 nan 0.000 0.542 84 V N 1.336 121.215 119.914 -0.058 0.000 2.715 84 V HA 0.169 4.289 4.120 -0.000 0.000 0.299 84 V C 0.132 176.224 176.094 -0.004 0.000 1.054 84 V CA 0.089 62.361 62.300 -0.046 0.000 1.077 84 V CB 1.088 32.795 31.823 -0.192 0.000 0.972 84 V HN 0.238 nan 8.190 nan 0.000 0.484 85 K N 2.222 122.647 120.400 0.042 0.000 2.508 85 K HA 0.379 4.699 4.320 -0.000 0.000 0.260 85 K C -0.561 176.076 176.600 0.062 0.000 0.949 85 K CA -0.880 55.431 56.287 0.039 0.000 0.834 85 K CB 2.488 35.008 32.500 0.034 0.000 1.365 85 K HN 0.778 nan 8.250 nan 0.000 0.437 86 E N 0.375 120.602 120.200 0.046 0.000 2.452 86 E HA -0.025 4.324 4.350 -0.000 0.000 0.261 86 E C 0.597 177.229 176.600 0.054 0.000 0.987 86 E CA 1.490 57.920 56.400 0.051 0.000 0.926 86 E CB 0.226 29.944 29.700 0.030 0.000 0.934 86 E HN 0.759 nan 8.360 nan 0.000 0.452 87 G N 3.720 112.559 108.800 0.065 0.000 2.253 87 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.251 87 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.251 87 G C 0.252 175.191 174.900 0.064 0.000 0.998 87 G CA 0.444 45.579 45.100 0.059 0.000 0.621 87 G HN 0.711 nan 8.290 nan 0.000 0.524 88 E N 0.548 120.796 120.200 0.081 0.000 2.502 88 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 88 E C 0.676 177.321 176.600 0.076 0.000 0.974 88 E CA -0.415 56.040 56.400 0.091 0.000 0.936 88 E CB 0.236 30.019 29.700 0.138 0.000 0.926 88 E HN 0.499 nan 8.360 nan 0.000 0.459 89 L N 4.819 126.068 121.223 0.044 0.000 2.416 89 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 89 L C -1.019 175.810 176.870 -0.069 0.000 1.161 89 L CA -0.195 54.642 54.840 -0.005 0.000 0.845 89 L CB 0.874 42.931 42.059 -0.003 0.000 1.119 89 L HN 0.346 nan 8.230 nan 0.000 0.464 90 V N 4.131 123.946 119.914 -0.165 0.000 2.656 90 V HA 0.518 4.638 4.120 -0.000 0.000 0.307 90 V C -0.613 175.338 176.094 -0.238 0.000 1.051 90 V CA -0.784 61.298 62.300 -0.363 0.000 0.893 90 V CB 1.840 33.324 31.823 -0.566 0.000 0.999 90 V HN 0.730 nan 8.190 nan 0.000 0.426 91 K N 4.057 124.327 120.400 -0.217 0.000 2.324 91 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 91 K C -0.209 176.329 176.600 -0.103 0.000 0.932 91 K CA -0.557 55.656 56.287 -0.123 0.000 0.799 91 K CB 1.554 34.011 32.500 -0.071 0.000 1.154 91 K HN 0.609 nan 8.250 nan 0.000 0.425 92 R N 1.650 122.104 120.500 -0.077 0.000 2.784 92 R HA 0.092 4.432 4.340 -0.000 0.000 0.266 92 R C 0.161 176.446 176.300 -0.026 0.000 1.044 92 R CA 0.263 56.332 56.100 -0.051 0.000 1.151 92 R CB 0.550 30.823 30.300 -0.045 0.000 1.037 92 R HN 0.764 nan 8.270 nan 0.000 0.478 93 T N -0.232 114.317 114.554 -0.008 0.000 2.969 93 T HA 0.149 4.499 4.350 -0.000 0.000 0.250 93 T C 1.118 175.821 174.700 0.005 0.000 1.021 93 T CA 0.671 62.775 62.100 0.006 0.000 1.003 93 T CB 0.338 69.222 68.868 0.028 0.000 1.040 93 T HN 0.918 nan 8.240 nan 0.000 0.492 94 G N 1.951 110.752 108.800 0.001 0.000 2.212 94 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.266 94 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.266 94 G C -0.069 174.836 174.900 0.007 0.000 0.978 94 G CA 0.202 45.302 45.100 0.001 0.000 0.632 94 G HN 0.581 nan 8.290 nan 0.000 0.537 95 N N 0.613 119.322 118.700 0.016 0.000 2.342 95 N HA 0.607 5.347 4.740 -0.000 0.000 0.293 95 N C 0.309 175.839 175.510 0.033 0.000 1.026 95 N CA -1.118 51.944 53.050 0.021 0.000 0.857 95 N CB 1.525 40.025 38.487 0.020 0.000 1.256 95 N HN 0.073 nan 8.380 nan 0.000 0.484 96 I N 1.431 122.018 120.570 0.030 0.000 2.948 96 I HA -0.030 4.140 4.170 -0.000 0.000 0.290 96 I C 0.721 176.867 176.117 0.049 0.000 1.226 96 I CA -0.144 61.180 61.300 0.039 0.000 1.413 96 I CB 0.145 38.161 38.000 0.027 0.000 1.352 96 I HN 0.275 nan 8.210 nan 0.000 0.597 97 V N 5.710 125.669 119.914 0.075 0.000 2.540 97 V HA 0.004 4.124 4.120 -0.000 0.000 0.297 97 V C 0.169 176.285 176.094 0.037 0.000 1.024 97 V CA 0.286 62.634 62.300 0.080 0.000 1.105 97 V CB 0.350 32.266 31.823 0.156 0.000 0.938 97 V HN 0.945 nan 8.190 nan 0.000 0.482 98 D N 3.797 124.204 120.400 0.013 0.000 2.579 98 D HA 0.670 5.310 4.640 -0.000 0.000 0.257 98 D C -0.765 175.526 176.300 -0.016 0.000 1.176 98 D CA -0.600 53.402 54.000 0.004 0.000 0.914 98 D CB 2.083 42.887 40.800 0.006 0.000 1.431 98 D HN 0.423 nan 8.370 nan 0.000 0.454 99 V N -4.299 115.608 119.914 -0.011 0.000 3.001 99 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 99 V C -2.736 173.341 176.094 -0.029 0.000 1.099 99 V CA -2.366 59.919 62.300 -0.024 0.000 0.989 99 V CB 1.761 33.574 31.823 -0.016 0.000 1.040 99 V HN 0.567 nan 8.190 nan 0.000 0.434 100 P HA 0.245 nan 4.420 nan 0.000 0.271 100 P C -0.338 176.909 177.300 -0.089 0.000 1.226 100 P CA 0.288 63.346 63.100 -0.069 0.000 0.765 100 P CB 1.183 32.839 31.700 -0.075 0.000 0.835 101 V N 0.768 120.607 119.914 -0.124 0.000 3.019 101 V HA 1.036 5.156 4.120 -0.000 0.000 0.317 101 V C 0.108 175.921 176.094 -0.467 0.000 1.094 101 V CA -0.331 61.849 62.300 -0.199 0.000 1.000 101 V CB 1.415 33.196 31.823 -0.069 0.000 1.060 101 V HN 0.933 nan 8.190 nan 0.000 0.443 102 G N 1.910 110.239 108.800 -0.785 0.000 2.359 102 G HA2 0.260 4.220 3.960 -0.000 0.000 0.314 102 G HA3 0.260 4.220 3.960 -0.000 0.000 0.314 102 G C -2.706 171.498 174.900 -1.160 0.000 1.364 102 G CA 0.038 44.266 45.100 -1.453 0.000 0.978 102 G HN 0.656 nan 8.290 nan 0.000 0.615 103 P HA 0.056 nan 4.420 nan 0.000 0.226 103 P C 1.686 178.813 177.300 -0.287 0.000 1.153 103 P CA 1.515 64.240 63.100 -0.625 0.000 0.777 103 P CB -0.033 31.389 31.700 -0.463 0.000 0.794 104 G N -0.202 108.414 108.800 -0.307 0.000 2.776 104 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.209 104 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.209 104 G C 1.198 176.030 174.900 -0.114 0.000 1.145 104 G CA 0.112 45.112 45.100 -0.168 0.000 0.791 104 G HN 0.191 nan 8.290 nan 0.000 0.530 105 L N 0.095 121.246 121.223 -0.121 0.000 2.446 105 L HA 0.324 4.664 4.340 -0.000 0.000 0.219 105 L C 1.378 178.256 176.870 0.014 0.000 1.116 105 L CA 0.107 54.918 54.840 -0.049 0.000 0.844 105 L CB -0.166 41.865 42.059 -0.046 0.000 0.970 105 L HN 0.096 nan 8.230 nan 0.000 0.457 106 L N 0.114 121.362 121.223 0.043 0.000 2.540 106 L HA 0.113 4.452 4.340 -0.000 0.000 0.276 106 L C 1.533 178.438 176.870 0.058 0.000 1.212 106 L CA 0.909 55.809 54.840 0.100 0.000 0.893 106 L CB -0.130 42.021 42.059 0.154 0.000 1.138 106 L HN 0.481 nan 8.230 nan 0.000 0.491 107 G N 2.186 111.014 108.800 0.047 0.000 2.284 107 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.247 107 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.247 107 G C 0.400 175.302 174.900 0.004 0.000 1.012 107 G CA -0.386 44.721 45.100 0.012 0.000 0.618 107 G HN 0.469 nan 8.290 nan 0.000 0.521 108 R N 0.206 120.713 120.500 0.012 0.000 2.457 108 R HA 0.632 4.972 4.340 -0.000 0.000 0.284 108 R C 0.002 176.309 176.300 0.013 0.000 1.024 108 R CA -0.583 55.520 56.100 0.006 0.000 1.025 108 R CB 1.422 31.721 30.300 -0.001 0.000 1.063 108 R HN 0.226 nan 8.270 nan 0.000 0.493 109 V N 3.231 123.151 119.914 0.011 0.000 2.398 109 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 109 V C 0.196 176.299 176.094 0.016 0.000 1.026 109 V CA -0.715 61.597 62.300 0.020 0.000 0.868 109 V CB 1.471 33.307 31.823 0.020 0.000 0.982 109 V HN 0.592 nan 8.190 nan 0.000 0.443 110 V N 1.257 121.183 119.914 0.020 0.000 2.962 110 V HA 0.791 4.911 4.120 -0.000 0.000 0.313 110 V C -0.404 175.697 176.094 0.011 0.000 1.099 110 V CA -0.922 61.384 62.300 0.009 0.000 0.971 110 V CB 2.070 33.892 31.823 0.000 0.000 1.028 110 V HN 0.807 nan 8.190 nan 0.000 0.430 111 D N 2.753 123.154 120.400 0.002 0.000 2.414 111 D HA 0.448 5.088 4.640 -0.000 0.000 0.259 111 D C 1.172 177.464 176.300 -0.014 0.000 1.269 111 D CA 0.258 54.258 54.000 -0.000 0.000 1.028 111 D CB 1.085 41.883 40.800 -0.003 0.000 1.093 111 D HN 0.870 nan 8.370 nan 0.000 0.545 112 A N -0.659 122.149 122.820 -0.019 0.000 2.066 112 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 112 A C 2.156 179.695 177.584 -0.074 0.000 1.157 112 A CA 0.598 52.619 52.037 -0.027 0.000 0.670 112 A CB -0.685 18.317 19.000 0.002 0.000 0.804 112 A HN 0.536 nan 8.150 nan 0.000 0.453 113 L N -1.321 119.830 121.223 -0.120 0.000 2.592 113 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 113 L C 1.515 178.332 176.870 -0.088 0.000 1.127 113 L CA 0.526 55.274 54.840 -0.153 0.000 0.884 113 L CB 0.040 41.956 42.059 -0.238 0.000 1.065 113 L HN 0.546 nan 8.230 nan 0.000 0.457 114 G N -0.120 108.646 108.800 -0.057 0.000 2.132 114 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.234 114 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.234 114 G C -0.008 174.869 174.900 -0.038 0.000 0.989 114 G CA -0.395 44.681 45.100 -0.041 0.000 0.676 114 G HN 0.353 nan 8.290 nan 0.000 0.522 115 N N 2.131 120.809 118.700 -0.037 0.000 2.470 115 N HA 0.355 5.095 4.740 -0.000 0.000 0.268 115 N C -2.332 173.169 175.510 -0.016 0.000 1.136 115 N CA -0.912 52.122 53.050 -0.026 0.000 0.961 115 N CB 1.372 39.845 38.487 -0.024 0.000 1.067 115 N HN 0.219 nan 8.380 nan 0.000 0.468 116 P HA 0.079 nan 4.420 nan 0.000 0.268 116 P C 0.418 177.716 177.300 -0.003 0.000 1.204 116 P CA 0.021 63.116 63.100 -0.009 0.000 0.768 116 P CB 0.459 32.152 31.700 -0.012 0.000 0.842 117 I N -0.552 120.019 120.570 0.002 0.000 3.966 117 I HA 0.258 4.428 4.170 -0.000 0.000 0.324 117 I C 0.197 176.318 176.117 0.007 0.000 1.517 117 I CA -0.248 61.056 61.300 0.006 0.000 1.117 117 I CB 0.088 38.095 38.000 0.011 0.000 1.190 117 I HN 0.007 nan 8.210 nan 0.000 0.466 118 D N 0.588 120.990 120.400 0.004 0.000 2.369 118 D HA 0.237 4.877 4.640 -0.000 0.000 0.211 118 D C 1.671 177.971 176.300 0.000 0.000 1.077 118 D CA 0.421 54.423 54.000 0.003 0.000 0.842 118 D CB 0.361 41.162 40.800 0.001 0.000 0.947 118 D HN 0.401 nan 8.370 nan 0.000 0.509 119 G N 0.986 109.786 108.800 -0.000 0.000 2.184 119 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.264 119 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.264 119 G C 0.892 175.790 174.900 -0.003 0.000 0.975 119 G CA 0.401 45.501 45.100 -0.001 0.000 0.642 119 G HN 0.440 nan 8.290 nan 0.000 0.536 120 K N 0.870 121.267 120.400 -0.004 0.000 2.504 120 K HA 0.433 4.753 4.320 -0.000 0.000 0.199 120 K C 1.349 177.944 176.600 -0.008 0.000 1.028 120 K CA 0.492 56.775 56.287 -0.006 0.000 1.164 120 K CB 0.063 32.559 32.500 -0.006 0.000 0.877 120 K HN 1.431 nan 8.250 nan 0.000 0.508 121 G N 2.099 110.894 108.800 -0.008 0.000 2.631 121 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.504 121 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.504 121 G C -2.866 172.026 174.900 -0.014 0.000 1.306 121 G CA -1.301 43.794 45.100 -0.010 0.000 0.897 121 G HN -0.031 nan 8.290 nan 0.000 0.520 122 P HA 0.432 nan 4.420 nan 0.000 0.270 122 P C 0.155 177.438 177.300 -0.028 0.000 1.223 122 P CA -0.381 62.706 63.100 -0.021 0.000 0.785 122 P CB 0.413 32.100 31.700 -0.021 0.000 0.923 123 I N 2.077 122.626 120.570 -0.036 0.000 2.315 123 I HA 0.146 4.316 4.170 -0.000 0.000 0.291 123 I C 0.065 176.145 176.117 -0.062 0.000 1.006 123 I CA -0.360 60.911 61.300 -0.049 0.000 1.265 123 I CB 0.775 38.744 38.000 -0.051 0.000 1.387 123 I HN 0.194 nan 8.210 nan 0.000 0.475 124 D N 5.819 126.175 120.400 -0.073 0.000 2.336 124 D HA 0.372 5.012 4.640 -0.000 0.000 0.249 124 D C 0.277 176.499 176.300 -0.129 0.000 1.213 124 D CA 0.148 54.096 54.000 -0.087 0.000 0.870 124 D CB 1.211 41.962 40.800 -0.082 0.000 1.076 124 D HN 0.587 nan 8.370 nan 0.000 0.483 125 A N 2.005 124.752 122.820 -0.121 0.000 2.309 125 A HA 0.579 4.899 4.320 -0.000 0.000 0.298 125 A C 1.099 178.581 177.584 -0.169 0.000 1.165 125 A CA -0.382 51.560 52.037 -0.158 0.000 0.821 125 A CB 1.162 20.093 19.000 -0.115 0.000 1.102 125 A HN 0.545 nan 8.150 nan 0.000 0.500 126 A N 1.701 124.368 122.820 -0.256 0.000 2.119 126 A HA 0.500 4.820 4.320 -0.000 0.000 0.216 126 A C 1.184 178.713 177.584 -0.091 0.000 1.152 126 A CA 1.512 53.428 52.037 -0.202 0.000 0.708 126 A CB -0.433 18.353 19.000 -0.356 0.000 0.805 126 A HN 2.338 nan 8.150 nan 0.000 0.460 127 G N -1.501 107.241 108.800 -0.095 0.000 2.333 127 G HA2 0.451 4.411 3.960 -0.000 0.000 0.288 127 G HA3 0.451 4.411 3.960 -0.000 0.000 0.288 127 G C -1.428 173.447 174.900 -0.041 0.000 1.286 127 G CA -1.036 44.042 45.100 -0.037 0.000 0.865 127 G HN 0.262 nan 8.290 nan 0.000 0.506 128 R N -0.412 120.081 120.500 -0.013 0.000 2.628 128 R HA 0.733 5.073 4.340 -0.000 0.000 0.288 128 R C -1.040 175.266 176.300 0.011 0.000 0.980 128 R CA -0.664 55.430 56.100 -0.010 0.000 0.891 128 R CB 2.267 32.560 30.300 -0.012 0.000 1.188 128 R HN 0.486 nan 8.270 nan 0.000 0.450 129 S N 1.525 117.234 115.700 0.015 0.000 2.536 129 S HA 0.454 4.924 4.470 -0.000 0.000 0.298 129 S C -0.373 174.240 174.600 0.022 0.000 1.083 129 S CA -0.913 57.304 58.200 0.029 0.000 0.995 129 S CB 1.886 65.115 63.200 0.049 0.000 1.058 129 S HN 0.397 nan 8.310 nan 0.000 0.488 130 R N 0.908 121.421 120.500 0.021 0.000 2.643 130 R HA 0.272 4.612 4.340 -0.000 0.000 0.270 130 R C 1.541 177.853 176.300 0.020 0.000 1.061 130 R CA 0.189 56.299 56.100 0.016 0.000 1.107 130 R CB 0.172 30.478 30.300 0.009 0.000 0.999 130 R HN 0.828 nan 8.270 nan 0.000 0.460 131 A N 2.809 125.640 122.820 0.018 0.000 1.896 131 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 131 A C 0.848 178.429 177.584 -0.004 0.000 1.206 131 A CA 1.555 53.609 52.037 0.028 0.000 0.647 131 A CB -0.196 18.816 19.000 0.020 0.000 0.828 131 A HN 0.650 nan 8.150 nan 0.000 0.455 132 Q N -1.248 118.509 119.800 -0.072 0.000 2.290 132 Q HA 0.596 4.936 4.340 -0.000 0.000 0.259 132 Q C -1.424 174.550 176.000 -0.043 0.000 0.941 132 Q CA -0.044 55.684 55.803 -0.126 0.000 0.912 132 Q CB 1.793 30.409 28.738 -0.205 0.000 1.244 132 Q HN 0.202 nan 8.270 nan 0.000 0.441 133 V N 3.442 123.344 119.914 -0.019 0.000 2.851 133 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 133 V C -0.728 175.375 176.094 0.014 0.000 1.129 133 V CA -1.168 61.137 62.300 0.008 0.000 0.932 133 V CB 2.228 34.068 31.823 0.028 0.000 1.024 133 V HN 0.721 nan 8.190 nan 0.000 0.426 134 K N 2.484 122.896 120.400 0.020 0.000 2.524 134 K HA 0.379 4.699 4.320 -0.000 0.000 0.279 134 K C 0.521 177.140 176.600 0.032 0.000 0.993 134 K CA 0.292 56.596 56.287 0.030 0.000 1.030 134 K CB 0.620 33.139 32.500 0.031 0.000 0.891 134 K HN 0.905 nan 8.250 nan 0.000 0.488 135 A N 5.178 128.020 122.820 0.037 0.000 2.425 135 A HA 0.214 4.534 4.320 -0.000 0.000 0.242 135 A C -2.072 175.533 177.584 0.034 0.000 1.077 135 A CA -1.155 50.904 52.037 0.037 0.000 0.781 135 A CB -0.344 18.680 19.000 0.039 0.000 1.020 135 A HN 0.468 nan 8.150 nan 0.000 0.494 136 P HA 0.218 nan 4.420 nan 0.000 0.265 136 P C 0.734 178.051 177.300 0.029 0.000 1.193 136 P CA 0.593 63.709 63.100 0.026 0.000 0.765 136 P CB 0.557 32.272 31.700 0.024 0.000 0.823 137 G N 1.598 110.413 108.800 0.026 0.000 2.486 137 G HA2 0.075 4.035 3.960 -0.000 0.000 0.272 137 G HA3 0.075 4.035 3.960 -0.000 0.000 0.272 137 G C 0.988 175.902 174.900 0.025 0.000 1.426 137 G CA -0.365 44.751 45.100 0.027 0.000 1.058 137 G HN 0.328 nan 8.290 nan 0.000 0.531 138 I N -0.799 119.785 120.570 0.023 0.000 2.133 138 I HA -0.065 4.105 4.170 -0.000 0.000 0.238 138 I C 2.680 178.807 176.117 0.017 0.000 1.074 138 I CA 0.715 62.027 61.300 0.021 0.000 1.342 138 I CB -0.592 37.419 38.000 0.020 0.000 1.053 138 I HN 0.331 nan 8.210 nan 0.000 0.404 139 L N 1.497 122.729 121.223 0.014 0.000 1.989 139 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 139 L C -0.809 176.066 176.870 0.009 0.000 1.071 139 L CA 1.934 56.779 54.840 0.010 0.000 0.749 139 L CB -1.596 40.468 42.059 0.008 0.000 0.890 139 L HN 0.197 nan 8.230 nan 0.000 0.431 140 P HA -0.007 nan 4.420 nan 0.000 0.269 140 P C -0.736 176.571 177.300 0.013 0.000 1.601 140 P CA 0.551 63.656 63.100 0.009 0.000 0.831 140 P CB -0.256 31.448 31.700 0.008 0.000 1.688 141 R N -0.293 120.216 120.500 0.015 0.000 2.725 141 R HA 0.545 4.885 4.340 -0.000 0.000 0.277 141 R C -0.146 176.166 176.300 0.021 0.000 0.987 141 R CA -0.855 55.258 56.100 0.022 0.000 0.901 141 R CB 2.605 32.920 30.300 0.024 0.000 1.207 141 R HN -0.044 nan 8.270 nan 0.000 0.463 142 R N 0.672 121.191 120.500 0.032 0.000 2.778 142 R HA 0.392 4.732 4.340 -0.000 0.000 0.277 142 R C -0.768 175.558 176.300 0.044 0.000 0.977 142 R CA -0.522 55.594 56.100 0.027 0.000 0.950 142 R CB 2.030 32.347 30.300 0.029 0.000 1.165 142 R HN 0.676 nan 8.270 nan 0.000 0.474 143 S N 1.480 117.197 115.700 0.028 0.000 2.537 143 S HA 0.023 4.493 4.470 -0.000 0.000 0.286 143 S C 0.143 174.804 174.600 0.102 0.000 1.299 143 S CA -0.486 57.739 58.200 0.042 0.000 1.067 143 S CB 0.748 63.958 63.200 0.017 0.000 0.864 143 S HN 0.352 nan 8.310 nan 0.000 0.494 144 V N 5.464 125.428 119.914 0.083 0.000 2.557 144 V HA 0.012 4.132 4.120 -0.000 0.000 0.301 144 V C 1.358 177.525 176.094 0.122 0.000 1.026 144 V CA 0.678 63.025 62.300 0.077 0.000 1.137 144 V CB -0.382 31.451 31.823 0.015 0.000 0.917 144 V HN 1.097 nan 8.190 nan 0.000 0.484 145 H N 1.942 120.981 119.070 -0.051 0.000 3.566 145 H HA 0.383 4.939 4.556 -0.000 0.000 0.259 145 H C -0.106 175.175 175.328 -0.078 0.000 1.184 145 H CA -0.472 55.544 56.048 -0.053 0.000 1.107 145 H CB 0.488 30.227 29.762 -0.040 0.000 1.726 145 H HN 0.631 nan 8.280 nan 0.000 0.743 146 E N 2.601 122.514 120.200 -0.479 0.000 2.222 146 E HA 0.418 4.767 4.350 -0.000 0.000 0.267 146 E C -2.918 173.496 176.600 -0.310 0.000 0.884 146 E CA -2.184 53.938 56.400 -0.463 0.000 0.764 146 E CB 2.509 31.852 29.700 -0.595 0.000 1.169 146 E HN 0.133 nan 8.360 nan 0.000 0.413 147 P HA 0.053 nan 4.420 nan 0.000 0.275 147 P C -0.841 176.293 177.300 -0.277 0.000 1.227 147 P CA -0.357 62.611 63.100 -0.221 0.000 0.781 147 P CB 0.650 32.239 31.700 -0.184 0.000 0.906 148 V N 4.485 124.274 119.914 -0.208 0.000 2.294 148 V HA 0.162 4.282 4.120 -0.000 0.000 0.272 148 V C 0.336 176.346 176.094 -0.141 0.000 1.027 148 V CA -0.251 61.925 62.300 -0.207 0.000 0.823 148 V CB 0.383 32.115 31.823 -0.150 0.000 1.030 148 V HN 0.478 nan 8.190 nan 0.000 0.457 149 Q N 2.301 122.007 119.800 -0.155 0.000 2.307 149 Q HA 0.181 4.521 4.340 -0.000 0.000 0.259 149 Q C 1.284 177.315 176.000 0.051 0.000 0.998 149 Q CA 0.107 55.900 55.803 -0.018 0.000 0.923 149 Q CB 1.359 30.149 28.738 0.087 0.000 1.196 149 Q HN 0.936 nan 8.270 nan 0.000 0.416 150 T N -1.058 113.515 114.554 0.032 0.000 3.009 150 T HA 0.127 4.477 4.350 -0.000 0.000 0.258 150 T C 1.375 176.103 174.700 0.047 0.000 1.063 150 T CA 0.632 62.751 62.100 0.032 0.000 1.139 150 T CB 0.109 68.981 68.868 0.007 0.000 0.890 150 T HN 0.855 nan 8.240 nan 0.000 0.471 151 G N 1.314 110.146 108.800 0.054 0.000 2.176 151 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.253 151 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.253 151 G C -0.049 174.866 174.900 0.025 0.000 0.979 151 G CA 0.157 45.284 45.100 0.046 0.000 0.641 151 G HN 0.652 nan 8.290 nan 0.000 0.530 152 L N 0.808 122.042 121.223 0.018 0.000 2.260 152 L HA 0.379 4.719 4.340 -0.000 0.000 0.289 152 L C 1.779 178.658 176.870 0.015 0.000 1.057 152 L CA -0.736 54.109 54.840 0.010 0.000 0.811 152 L CB 1.056 43.115 42.059 0.000 0.000 1.184 152 L HN 0.061 nan 8.230 nan 0.000 0.429 153 K N 2.586 122.997 120.400 0.018 0.000 2.059 153 K HA -0.265 4.055 4.320 -0.000 0.000 0.212 153 K C 2.023 178.634 176.600 0.018 0.000 1.050 153 K CA 1.904 58.204 56.287 0.022 0.000 0.927 153 K CB -0.195 32.320 32.500 0.025 0.000 0.714 153 K HN 0.812 nan 8.250 nan 0.000 0.447 154 A N 0.876 123.705 122.820 0.015 0.000 1.933 154 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 154 A C 2.378 179.975 177.584 0.021 0.000 1.175 154 A CA 1.512 53.560 52.037 0.019 0.000 0.628 154 A CB -0.488 18.524 19.000 0.019 0.000 0.814 154 A HN 0.097 nan 8.150 nan 0.000 0.444 155 V N 0.227 120.150 119.914 0.015 0.000 2.302 155 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 155 V C 2.079 178.178 176.094 0.010 0.000 1.036 155 V CA 2.017 64.324 62.300 0.012 0.000 1.020 155 V CB -0.745 31.081 31.823 0.004 0.000 0.657 155 V HN 0.452 nan 8.190 nan 0.000 0.453 156 D N 0.545 120.951 120.400 0.011 0.000 2.178 156 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 156 D C 2.142 178.449 176.300 0.012 0.000 0.974 156 D CA 1.538 55.543 54.000 0.009 0.000 0.841 156 D CB -0.224 40.584 40.800 0.015 0.000 0.953 156 D HN 0.426 nan 8.370 nan 0.000 0.478 157 A N 0.203 123.033 122.820 0.017 0.000 1.872 157 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 157 A C 2.210 179.806 177.584 0.020 0.000 1.187 157 A CA 0.992 53.040 52.037 0.018 0.000 0.614 157 A CB -0.404 18.606 19.000 0.017 0.000 0.826 157 A HN 0.226 nan 8.150 nan 0.000 0.442 158 L N -1.197 120.040 121.223 0.024 0.000 2.500 158 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 158 L C 0.083 176.972 176.870 0.031 0.000 1.057 158 L CA 0.234 55.093 54.840 0.032 0.000 0.854 158 L CB 0.591 42.675 42.059 0.041 0.000 1.078 158 L HN 0.210 nan 8.230 nan 0.000 0.480 159 V N -2.481 117.448 119.914 0.024 0.000 2.464 159 V HA 0.430 4.550 4.120 -0.000 0.000 0.255 159 V C -2.886 173.212 176.094 0.006 0.000 0.946 159 V CA -1.723 60.589 62.300 0.020 0.000 0.988 159 V CB -0.094 31.745 31.823 0.028 0.000 1.210 159 V HN -0.089 nan 8.190 nan 0.000 0.523 160 P HA 0.477 nan 4.420 nan 0.000 0.276 160 P C -0.305 176.980 177.300 -0.025 0.000 1.230 160 P CA 0.139 63.232 63.100 -0.012 0.000 0.776 160 P CB 1.118 32.811 31.700 -0.012 0.000 0.888 161 I N 2.056 122.602 120.570 -0.039 0.000 2.359 161 I HA 0.535 4.705 4.170 -0.000 0.000 0.294 161 I C 1.045 177.114 176.117 -0.080 0.000 0.987 161 I CA -0.294 60.975 61.300 -0.052 0.000 1.225 161 I CB 1.689 39.658 38.000 -0.052 0.000 1.366 161 I HN 0.336 nan 8.210 nan 0.000 0.466 162 G N 4.025 112.777 108.800 -0.080 0.000 2.454 162 G HA2 0.542 4.502 3.960 -0.000 0.000 0.329 162 G HA3 0.542 4.502 3.960 -0.000 0.000 0.329 162 G C -0.577 174.249 174.900 -0.124 0.000 1.177 162 G CA -0.881 44.152 45.100 -0.112 0.000 0.951 162 G HN 0.517 nan 8.290 nan 0.000 0.485 163 R N 0.057 120.447 120.500 -0.184 0.000 2.483 163 R HA 0.361 4.701 4.340 -0.000 0.000 0.329 163 R C 1.372 177.618 176.300 -0.090 0.000 0.961 163 R CA 1.847 57.839 56.100 -0.181 0.000 1.041 163 R CB 0.104 30.209 30.300 -0.325 0.000 0.930 163 R HN 1.192 nan 8.270 nan 0.000 0.413 164 G N 1.828 110.600 108.800 -0.046 0.000 2.179 164 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 164 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 164 G C 0.096 174.991 174.900 -0.009 0.000 0.990 164 G CA -0.063 45.033 45.100 -0.008 0.000 0.646 164 G HN 0.583 nan 8.290 nan 0.000 0.517 165 Q N -0.036 119.748 119.800 -0.026 0.000 2.312 165 Q HA 0.652 4.992 4.340 -0.000 0.000 0.236 165 Q C -0.062 175.926 176.000 -0.021 0.000 0.965 165 Q CA -0.469 55.321 55.803 -0.021 0.000 0.894 165 Q CB 0.415 29.135 28.738 -0.030 0.000 1.225 165 Q HN 0.306 nan 8.270 nan 0.000 0.478 166 R N 2.178 122.668 120.500 -0.016 0.000 2.320 166 R HA 0.248 4.588 4.340 -0.000 0.000 0.319 166 R C -1.412 174.870 176.300 -0.030 0.000 0.969 166 R CA -0.459 55.629 56.100 -0.019 0.000 0.857 166 R CB 1.365 31.659 30.300 -0.010 0.000 1.160 166 R HN 0.431 nan 8.270 nan 0.000 0.491 167 E N 2.921 123.097 120.200 -0.041 0.000 2.145 167 E HA 0.259 4.609 4.350 -0.000 0.000 0.270 167 E C -1.341 175.220 176.600 -0.065 0.000 0.906 167 E CA -0.934 55.438 56.400 -0.047 0.000 0.761 167 E CB 0.926 30.600 29.700 -0.043 0.000 1.116 167 E HN 0.346 nan 8.360 nan 0.000 0.408 168 L N 5.607 126.779 121.223 -0.084 0.000 2.326 168 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 168 L C -0.992 175.796 176.870 -0.138 0.000 1.092 168 L CA -0.009 54.761 54.840 -0.117 0.000 0.810 168 L CB 0.636 42.608 42.059 -0.146 0.000 1.153 168 L HN 0.645 nan 8.230 nan 0.000 0.439 169 I N 6.946 127.441 120.570 -0.126 0.000 2.328 169 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 169 I C -0.340 175.685 176.117 -0.154 0.000 1.012 169 I CA -0.137 61.089 61.300 -0.124 0.000 1.195 169 I CB 1.180 39.137 38.000 -0.072 0.000 1.350 169 I HN 0.589 nan 8.210 nan 0.000 0.464 170 I N 5.298 125.729 120.570 -0.231 0.000 2.608 170 I HA 0.907 5.077 4.170 -0.000 0.000 0.295 170 I C -0.147 175.884 176.117 -0.144 0.000 1.049 170 I CA 0.005 61.154 61.300 -0.251 0.000 1.063 170 I CB 1.967 39.694 38.000 -0.455 0.000 1.248 170 I HN 0.693 nan 8.210 nan 0.000 0.424 171 G N 4.784 113.563 108.800 -0.035 0.000 2.316 171 G HA2 0.153 4.113 3.960 -0.000 0.000 0.296 171 G HA3 0.153 4.113 3.960 -0.000 0.000 0.296 171 G C -1.875 173.047 174.900 0.035 0.000 1.399 171 G CA -0.814 44.320 45.100 0.056 0.000 0.833 171 G HN 0.499 nan 8.290 nan 0.000 0.565 172 D N 0.070 120.497 120.400 0.044 0.000 2.372 172 D HA 0.352 4.992 4.640 -0.000 0.000 0.243 172 D C 1.331 177.627 176.300 -0.006 0.000 1.297 172 D CA -0.018 53.996 54.000 0.025 0.000 0.958 172 D CB 0.341 41.159 40.800 0.030 0.000 1.114 172 D HN 0.695 nan 8.370 nan 0.000 0.496 173 R N 0.283 120.779 120.500 -0.006 0.000 2.679 173 R HA 0.049 4.389 4.340 -0.000 0.000 0.268 173 R C -0.201 176.060 176.300 -0.064 0.000 1.044 173 R CA -0.301 55.786 56.100 -0.021 0.000 1.105 173 R CB 0.138 30.435 30.300 -0.004 0.000 0.989 173 R HN 0.148 nan 8.270 nan 0.000 0.447 174 Q N 0.171 119.919 119.800 -0.086 0.000 2.451 174 Q HA -0.155 4.185 4.340 -0.000 0.000 0.305 174 Q C 0.185 175.996 176.000 -0.316 0.000 1.345 174 Q CA 1.718 57.421 55.803 -0.167 0.000 0.854 174 Q CB -1.742 26.909 28.738 -0.146 0.000 1.162 174 Q HN 1.022 nan 8.270 nan 0.000 0.440 175 T N -5.610 108.806 114.554 -0.230 0.000 3.023 175 T HA 0.451 4.801 4.350 -0.000 0.000 0.253 175 T C 1.180 175.800 174.700 -0.133 0.000 1.038 175 T CA 0.801 62.746 62.100 -0.257 0.000 0.962 175 T CB 1.099 69.911 68.868 -0.094 0.000 1.018 175 T HN 0.832 nan 8.240 nan 0.000 0.521 176 G N 1.652 110.397 108.800 -0.092 0.000 2.154 176 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.186 176 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.186 176 G C 0.769 175.668 174.900 -0.001 0.000 1.000 176 G CA 0.167 45.271 45.100 0.007 0.000 0.664 176 G HN 0.452 nan 8.290 nan 0.000 0.513 177 K N -0.152 120.239 120.400 -0.016 0.000 2.000 177 K HA -0.141 4.179 4.320 -0.000 0.000 0.218 177 K C 2.534 179.133 176.600 -0.002 0.000 1.053 177 K CA 2.167 58.447 56.287 -0.012 0.000 0.946 177 K CB -0.486 32.003 32.500 -0.018 0.000 0.723 177 K HN 0.311 nan 8.250 nan 0.000 0.446 178 T N 1.068 115.628 114.554 0.011 0.000 2.759 178 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 178 T C 1.953 176.648 174.700 -0.008 0.000 1.042 178 T CA 1.362 63.484 62.100 0.036 0.000 1.140 178 T CB -0.292 68.613 68.868 0.061 0.000 0.864 178 T HN 0.388 nan 8.240 nan 0.000 0.455 179 A N 0.996 123.790 122.820 -0.044 0.000 1.902 179 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 179 A C 2.547 180.079 177.584 -0.087 0.000 1.181 179 A CA 1.337 53.309 52.037 -0.107 0.000 0.623 179 A CB -1.054 17.867 19.000 -0.131 0.000 0.818 179 A HN 0.363 nan 8.150 nan 0.000 0.443 180 V N -0.493 119.394 119.914 -0.045 0.000 2.568 180 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 180 V C 2.804 178.882 176.094 -0.027 0.000 1.072 180 V CA 1.947 64.227 62.300 -0.034 0.000 1.084 180 V CB -0.897 30.915 31.823 -0.018 0.000 0.676 180 V HN 0.643 nan 8.190 nan 0.000 0.469 181 A N -1.109 121.702 122.820 -0.015 0.000 1.997 181 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 181 A C 1.975 179.557 177.584 -0.004 0.000 1.178 181 A CA 0.700 52.740 52.037 0.005 0.000 0.698 181 A CB -0.267 18.761 19.000 0.046 0.000 0.842 181 A HN 0.393 nan 8.150 nan 0.000 0.458 182 L N 0.426 121.626 121.223 -0.039 0.000 2.017 182 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 182 L C 1.582 178.418 176.870 -0.056 0.000 1.073 182 L CA 2.228 57.026 54.840 -0.070 0.000 0.745 182 L CB -0.581 41.417 42.059 -0.102 0.000 0.894 182 L HN 0.334 nan 8.230 nan 0.000 0.432 183 D N -1.300 119.052 120.400 -0.080 0.000 2.182 183 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 183 D C 1.949 178.245 176.300 -0.006 0.000 0.986 183 D CA 1.722 55.688 54.000 -0.058 0.000 0.847 183 D CB -0.049 40.701 40.800 -0.082 0.000 0.942 183 D HN 0.411 nan 8.370 nan 0.000 0.467 184 T N 0.973 115.528 114.554 0.002 0.000 2.732 184 T HA -0.011 4.339 4.350 -0.000 0.000 0.261 184 T C 2.298 177.035 174.700 0.062 0.000 1.040 184 T CA 0.335 62.451 62.100 0.027 0.000 1.145 184 T CB -0.090 68.783 68.868 0.009 0.000 0.866 184 T HN 0.137 nan 8.240 nan 0.000 0.427 185 I N 1.029 121.638 120.570 0.065 0.000 2.163 185 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 185 I C 2.358 178.595 176.117 0.200 0.000 1.085 185 I CA 1.289 62.670 61.300 0.134 0.000 1.347 185 I CB -0.472 37.577 38.000 0.082 0.000 1.044 185 I HN 0.195 nan 8.210 nan 0.000 0.408 186 L N 0.390 121.674 121.223 0.102 0.000 2.042 186 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 186 L C 2.276 179.225 176.870 0.132 0.000 1.076 186 L CA 1.574 56.477 54.840 0.105 0.000 0.749 186 L CB -0.770 41.290 42.059 0.002 0.000 0.893 186 L HN 0.346 nan 8.230 nan 0.000 0.432 187 N N -0.336 118.424 118.700 0.099 0.000 2.364 187 N HA -0.185 4.555 4.740 -0.000 0.000 0.183 187 N C 1.688 177.270 175.510 0.120 0.000 1.022 187 N CA 0.811 53.916 53.050 0.091 0.000 0.883 187 N CB 0.075 38.630 38.487 0.112 0.000 0.965 187 N HN 0.230 nan 8.380 nan 0.000 0.438 188 Q N 0.282 120.164 119.800 0.137 0.000 2.488 188 Q HA 0.018 4.358 4.340 -0.000 0.000 0.211 188 Q C 1.425 177.331 176.000 -0.156 0.000 0.967 188 Q CA 0.338 56.198 55.803 0.094 0.000 0.926 188 Q CB -0.091 28.552 28.738 -0.157 0.000 0.992 188 Q HN 0.431 nan 8.270 nan 0.000 0.506 189 K N 0.820 121.165 120.400 -0.092 0.000 2.173 189 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 189 K C 1.775 178.225 176.600 -0.249 0.000 1.046 189 K CA 1.321 57.561 56.287 -0.078 0.000 0.929 189 K CB 0.034 32.544 32.500 0.017 0.000 0.720 189 K HN 0.280 nan 8.250 nan 0.000 0.453 190 R N -1.020 119.179 120.500 -0.502 0.000 2.148 190 R HA -0.096 4.244 4.340 -0.000 0.000 0.223 190 R C 1.672 177.446 176.300 -0.878 0.000 1.088 190 R CA 1.072 56.657 56.100 -0.859 0.000 0.985 190 R CB -0.027 29.397 30.300 -1.460 0.000 0.880 190 R HN 0.374 nan 8.270 nan 0.000 0.451 191 W N 0.029 121.230 121.300 -0.165 0.000 2.968 191 W HA 0.224 4.884 4.660 -0.000 0.000 0.253 191 W C 0.862 177.252 176.519 -0.214 0.000 1.150 191 W CA -0.581 56.663 57.345 -0.168 0.000 1.463 191 W CB -0.296 29.059 29.460 -0.176 0.000 0.906 191 W HN 0.036 nan 8.180 nan 0.000 0.650 192 N N 1.386 120.022 118.700 -0.107 0.000 2.573 192 N HA -0.105 4.635 4.740 -0.000 0.000 0.187 192 N C 0.882 176.333 175.510 -0.098 0.000 1.107 192 N CA 0.836 53.737 53.050 -0.248 0.000 0.918 192 N CB -0.477 37.623 38.487 -0.646 0.000 0.966 192 N HN 0.102 nan 8.380 nan 0.000 0.448 193 N N -0.430 118.225 118.700 -0.075 0.000 2.299 193 N HA 0.094 4.834 4.740 -0.000 0.000 0.187 193 N C 0.976 176.474 175.510 -0.020 0.000 1.099 193 N CA 0.103 53.134 53.050 -0.033 0.000 0.867 193 N CB 0.404 38.861 38.487 -0.050 0.000 0.974 193 N HN 0.175 nan 8.380 nan 0.000 0.477 194 G N -0.447 108.345 108.800 -0.013 0.000 2.543 194 G HA2 0.313 4.273 3.960 -0.000 0.000 0.267 194 G HA3 0.313 4.273 3.960 -0.000 0.000 0.267 194 G C 0.415 175.334 174.900 0.031 0.000 1.406 194 G CA -0.204 44.902 45.100 0.010 0.000 1.048 194 G HN 0.185 nan 8.290 nan 0.000 0.548 195 S N -1.232 114.492 115.700 0.040 0.000 2.666 195 S HA 0.157 4.627 4.470 -0.000 0.000 0.239 195 S C -0.034 174.600 174.600 0.057 0.000 1.031 195 S CA -0.187 58.043 58.200 0.050 0.000 1.015 195 S CB 0.571 63.796 63.200 0.041 0.000 0.981 195 S HN 0.502 nan 8.310 nan 0.000 0.547 196 D N 2.621 123.056 120.400 0.058 0.000 2.393 196 D HA 0.196 4.836 4.640 -0.000 0.000 0.232 196 D C 0.892 177.230 176.300 0.063 0.000 1.192 196 D CA -0.044 53.991 54.000 0.058 0.000 0.882 196 D CB 0.711 41.545 40.800 0.058 0.000 1.038 196 D HN -0.038 nan 8.370 nan 0.000 0.499 197 E N 1.732 121.977 120.200 0.074 0.000 2.038 197 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 197 E C 1.853 178.505 176.600 0.086 0.000 1.000 197 E CA 1.269 57.727 56.400 0.098 0.000 0.803 197 E CB -0.396 29.374 29.700 0.116 0.000 0.750 197 E HN 0.631 nan 8.360 nan 0.000 0.448 198 S N 0.723 116.469 115.700 0.076 0.000 2.465 198 S HA -0.113 4.357 4.470 -0.000 0.000 0.241 198 S C 1.660 176.339 174.600 0.130 0.000 1.000 198 S CA 1.023 59.300 58.200 0.129 0.000 0.964 198 S CB -0.149 63.116 63.200 0.108 0.000 0.763 198 S HN 0.153 nan 8.310 nan 0.000 0.512 199 K N 0.776 121.189 120.400 0.021 0.000 2.361 199 K HA 0.173 4.492 4.320 -0.000 0.000 0.196 199 K C 0.667 177.163 176.600 -0.173 0.000 1.039 199 K CA 0.223 56.438 56.287 -0.120 0.000 1.001 199 K CB 0.163 32.624 32.500 -0.065 0.000 0.795 199 K HN 0.439 nan 8.250 nan 0.000 0.495 200 K N 0.886 121.246 120.400 -0.067 0.000 2.136 200 K HA 0.216 4.536 4.320 -0.000 0.000 0.237 200 K C -0.396 176.071 176.600 -0.223 0.000 1.048 200 K CA -0.297 55.881 56.287 -0.183 0.000 0.880 200 K CB 0.436 32.734 32.500 -0.336 0.000 1.105 200 K HN -0.161 nan 8.250 nan 0.000 0.507 201 L N 1.522 122.518 121.223 -0.379 0.000 2.752 201 L HA 0.230 4.570 4.340 -0.000 0.000 0.257 201 L C -1.864 174.807 176.870 -0.331 0.000 0.968 201 L CA -0.210 54.475 54.840 -0.258 0.000 0.953 201 L CB 0.581 42.513 42.059 -0.212 0.000 1.286 201 L HN 0.434 nan 8.230 nan 0.000 0.443 202 Y N 2.901 123.074 120.300 -0.210 0.000 2.359 202 Y HA 0.440 4.990 4.550 -0.000 0.000 0.330 202 Y C 0.690 176.480 175.900 -0.183 0.000 1.143 202 Y CA 0.062 58.008 58.100 -0.257 0.000 1.318 202 Y CB 0.822 38.825 38.460 -0.762 0.000 1.234 202 Y HN 0.521 nan 8.280 nan 0.000 0.522 203 C N 3.221 122.624 119.300 0.172 0.000 2.358 203 C HA 0.686 5.146 4.460 -0.000 0.000 0.342 203 C C -0.173 174.862 174.990 0.076 0.000 1.234 203 C CA -1.123 57.963 59.018 0.113 0.000 1.969 203 C CB 0.527 28.378 27.740 0.186 0.000 2.346 203 C HN 0.551 nan 8.230 nan 0.000 0.525 204 V N 3.186 123.126 119.914 0.043 0.000 2.407 204 V HA 0.291 4.411 4.120 -0.000 0.000 0.291 204 V C -1.001 175.120 176.094 0.047 0.000 1.018 204 V CA -0.489 61.841 62.300 0.050 0.000 0.842 204 V CB 1.013 32.856 31.823 0.033 0.000 0.996 204 V HN 0.810 nan 8.190 nan 0.000 0.426 205 Y N 5.157 125.432 120.300 -0.042 0.000 2.331 205 Y HA 0.658 5.208 4.550 -0.000 0.000 0.338 205 Y C -0.324 175.556 175.900 -0.033 0.000 0.976 205 Y CA -0.669 57.399 58.100 -0.053 0.000 1.137 205 Y CB 1.724 40.162 38.460 -0.038 0.000 1.172 205 Y HN 0.407 nan 8.280 nan 0.000 0.478 206 V N 6.438 125.986 119.914 -0.611 0.000 2.333 206 V HA 0.592 4.712 4.120 -0.000 0.000 0.274 206 V C 0.000 175.761 176.094 -0.556 0.000 1.028 206 V CA -0.722 61.337 62.300 -0.402 0.000 0.851 206 V CB 0.715 32.442 31.823 -0.160 0.000 1.000 206 V HN 0.930 nan 8.190 nan 0.000 0.456 207 A N 5.433 128.089 122.820 -0.274 0.000 2.294 207 A HA 0.681 5.000 4.320 -0.000 0.000 0.316 207 A C -0.336 177.217 177.584 -0.051 0.000 1.359 207 A CA -0.352 51.615 52.037 -0.117 0.000 0.956 207 A CB 0.432 19.494 19.000 0.103 0.000 1.155 207 A HN 0.668 nan 8.150 nan 0.000 0.544 208 V N 2.886 122.767 119.914 -0.056 0.000 2.328 208 V HA 0.582 4.702 4.120 -0.000 0.000 0.278 208 V C 1.282 177.386 176.094 0.017 0.000 1.021 208 V CA 0.684 62.976 62.300 -0.014 0.000 0.838 208 V CB 0.404 32.211 31.823 -0.027 0.000 0.999 208 V HN 1.683 nan 8.190 nan 0.000 0.447 209 G N 3.904 112.726 108.800 0.037 0.000 2.179 209 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.260 209 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.260 209 G C 0.273 175.201 174.900 0.046 0.000 0.977 209 G CA 0.352 45.480 45.100 0.047 0.000 0.641 209 G HN 0.623 nan 8.290 nan 0.000 0.533 210 Q N 0.370 120.200 119.800 0.048 0.000 2.535 210 Q HA 0.435 4.775 4.340 -0.000 0.000 0.228 210 Q C 0.748 176.780 176.000 0.053 0.000 1.062 210 Q CA 0.349 56.186 55.803 0.057 0.000 0.967 210 Q CB 0.381 29.167 28.738 0.080 0.000 1.273 210 Q HN 0.649 nan 8.270 nan 0.000 0.554 211 K N 0.303 120.733 120.400 0.049 0.000 2.143 211 K HA 0.281 4.601 4.320 -0.000 0.000 0.272 211 K C 0.342 176.968 176.600 0.044 0.000 1.001 211 K CA -0.630 55.683 56.287 0.043 0.000 0.915 211 K CB 1.251 33.773 32.500 0.036 0.000 1.047 211 K HN 0.402 nan 8.250 nan 0.000 0.458 212 R N 0.799 121.323 120.500 0.039 0.000 2.133 212 R HA -0.225 4.115 4.340 -0.000 0.000 0.247 212 R C 2.289 178.609 176.300 0.032 0.000 1.151 212 R CA 2.370 58.492 56.100 0.037 0.000 0.971 212 R CB -0.428 29.891 30.300 0.031 0.000 0.866 212 R HN 0.956 nan 8.270 nan 0.000 0.447 213 S N -0.469 115.248 115.700 0.029 0.000 2.356 213 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 213 S C 2.000 176.616 174.600 0.027 0.000 1.032 213 S CA 1.765 59.979 58.200 0.024 0.000 1.005 213 S CB -0.616 62.597 63.200 0.022 0.000 0.867 213 S HN 0.202 nan 8.310 nan 0.000 0.449 214 T N 2.251 116.825 114.554 0.034 0.000 2.720 214 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 214 T C 1.897 176.620 174.700 0.038 0.000 1.037 214 T CA 1.595 63.718 62.100 0.038 0.000 1.144 214 T CB -0.612 68.285 68.868 0.048 0.000 0.864 214 T HN 0.320 nan 8.240 nan 0.000 0.444 215 V N 1.748 121.693 119.914 0.052 0.000 2.270 215 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 215 V C 2.897 179.004 176.094 0.021 0.000 1.043 215 V CA 1.610 63.944 62.300 0.056 0.000 1.014 215 V CB -1.432 30.444 31.823 0.088 0.000 0.645 215 V HN 0.523 nan 8.190 nan 0.000 0.447 216 A N -0.123 122.710 122.820 0.021 0.000 1.929 216 A HA -0.429 3.891 4.320 -0.000 0.000 0.221 216 A C 2.203 179.786 177.584 -0.002 0.000 1.211 216 A CA 2.947 54.989 52.037 0.008 0.000 0.657 216 A CB -0.746 18.260 19.000 0.011 0.000 0.827 216 A HN 0.595 nan 8.150 nan 0.000 0.462 217 Q N -0.782 119.019 119.800 0.002 0.000 2.079 217 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 217 Q C 1.900 177.889 176.000 -0.017 0.000 0.974 217 Q CA 1.750 57.552 55.803 -0.002 0.000 0.840 217 Q CB -0.467 28.277 28.738 0.010 0.000 0.898 217 Q HN 0.620 nan 8.270 nan 0.000 0.430 218 L N -0.744 120.458 121.223 -0.034 0.000 2.012 218 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 218 L C 2.097 178.910 176.870 -0.094 0.000 1.073 218 L CA 1.474 56.261 54.840 -0.089 0.000 0.748 218 L CB -0.534 41.417 42.059 -0.180 0.000 0.891 218 L HN 0.146 nan 8.230 nan 0.000 0.431 219 V N -0.344 119.527 119.914 -0.072 0.000 2.392 219 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 219 V C 2.545 178.611 176.094 -0.046 0.000 1.059 219 V CA 2.143 64.406 62.300 -0.062 0.000 1.051 219 V CB -0.633 31.169 31.823 -0.035 0.000 0.658 219 V HN 0.638 nan 8.190 nan 0.000 0.455 220 Q N -0.697 119.083 119.800 -0.033 0.000 2.167 220 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 220 Q C 2.216 178.204 176.000 -0.019 0.000 0.970 220 Q CA 1.887 57.674 55.803 -0.027 0.000 0.855 220 Q CB -0.027 28.697 28.738 -0.023 0.000 0.911 220 Q HN 0.669 nan 8.270 nan 0.000 0.438 221 T N 1.198 115.742 114.554 -0.017 0.000 2.737 221 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 221 T C 1.813 176.554 174.700 0.068 0.000 1.038 221 T CA 0.840 62.950 62.100 0.018 0.000 1.144 221 T CB -0.160 68.699 68.868 -0.015 0.000 0.866 221 T HN 0.244 nan 8.240 nan 0.000 0.434 222 L N 0.706 121.916 121.223 -0.022 0.000 2.079 222 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 222 L C 2.690 179.540 176.870 -0.034 0.000 1.081 222 L CA 1.515 56.322 54.840 -0.055 0.000 0.752 222 L CB -0.536 41.447 42.059 -0.126 0.000 0.896 222 L HN 0.379 nan 8.230 nan 0.000 0.433 223 E N -0.418 119.763 120.200 -0.031 0.000 2.072 223 E HA -0.252 4.098 4.350 -0.000 0.000 0.191 223 E C 2.200 178.785 176.600 -0.026 0.000 0.985 223 E CA 0.982 57.361 56.400 -0.036 0.000 0.801 223 E CB -0.007 29.671 29.700 -0.037 0.000 0.750 223 E HN 0.511 nan 8.360 nan 0.000 0.452 224 Q N -0.440 119.350 119.800 -0.016 0.000 2.297 224 Q HA -0.075 4.265 4.340 -0.000 0.000 0.204 224 Q C 0.978 176.844 176.000 -0.223 0.000 0.962 224 Q CA 0.724 56.460 55.803 -0.111 0.000 0.879 224 Q CB 0.243 28.891 28.738 -0.149 0.000 0.947 224 Q HN 0.436 nan 8.270 nan 0.000 0.462 225 H N -0.436 118.596 119.070 -0.064 0.000 2.505 225 H HA 0.044 4.600 4.556 -0.000 0.000 0.289 225 H C -0.372 174.940 175.328 -0.026 0.000 1.052 225 H CA -0.105 55.920 56.048 -0.038 0.000 1.156 225 H CB 0.417 30.166 29.762 -0.020 0.000 1.507 225 H HN 0.178 nan 8.280 nan 0.000 0.548 226 D N 1.103 121.522 120.400 0.031 0.000 2.697 226 D HA -0.196 4.444 4.640 -0.000 0.000 0.235 226 D C 0.808 177.106 176.300 -0.003 0.000 1.167 226 D CA 0.695 54.701 54.000 0.011 0.000 0.656 226 D CB -0.870 39.944 40.800 0.024 0.000 1.025 226 D HN 0.580 nan 8.370 nan 0.000 0.419 227 A N 0.002 122.747 122.820 -0.125 0.000 2.287 227 A HA 0.181 4.501 4.320 -0.000 0.000 0.214 227 A C 1.765 178.916 177.584 -0.722 0.000 1.228 227 A CA 0.642 52.392 52.037 -0.480 0.000 0.939 227 A CB 0.050 18.898 19.000 -0.252 0.000 0.992 227 A HN 0.296 nan 8.150 nan 0.000 0.502 228 M N 1.391 120.791 119.600 -0.334 0.000 2.374 228 M HA -0.077 4.403 4.480 -0.000 0.000 0.264 228 M C 1.859 178.038 176.300 -0.202 0.000 1.067 228 M CA 1.797 56.954 55.300 -0.238 0.000 1.103 228 M CB -0.499 32.029 32.600 -0.119 0.000 1.402 228 M HN 0.477 nan 8.290 nan 0.000 0.444 229 K N -0.560 119.731 120.400 -0.181 0.000 2.288 229 K HA -0.148 4.172 4.320 -0.000 0.000 0.201 229 K C 0.629 177.287 176.600 0.097 0.000 1.048 229 K CA 1.444 57.721 56.287 -0.017 0.000 0.956 229 K CB -0.659 31.871 32.500 0.050 0.000 0.746 229 K HN 0.593 nan 8.250 nan 0.000 0.461 230 Y N -0.564 119.790 120.300 0.091 0.000 2.636 230 Y HA 0.510 5.060 4.550 -0.000 0.000 0.260 230 Y C -0.342 175.630 175.900 0.120 0.000 1.177 230 Y CA -1.139 57.048 58.100 0.144 0.000 1.209 230 Y CB 0.260 38.757 38.460 0.062 0.000 1.166 230 Y HN -0.154 nan 8.280 nan 0.000 0.531 231 S N 1.184 116.862 115.700 -0.036 0.000 2.578 231 S HA 0.730 5.200 4.470 -0.000 0.000 0.301 231 S C -0.725 173.904 174.600 0.049 0.000 1.091 231 S CA -0.623 57.569 58.200 -0.013 0.000 1.032 231 S CB 1.640 64.757 63.200 -0.138 0.000 1.064 231 S HN 0.271 nan 8.310 nan 0.000 0.508 232 I N 2.680 123.297 120.570 0.078 0.000 2.466 232 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 232 I C -0.996 175.176 176.117 0.092 0.000 1.026 232 I CA -0.552 60.797 61.300 0.083 0.000 1.078 232 I CB 1.480 39.547 38.000 0.112 0.000 1.249 232 I HN 0.378 nan 8.210 nan 0.000 0.429 233 I N 6.921 127.541 120.570 0.084 0.000 2.321 233 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 233 I C -0.134 176.033 176.117 0.082 0.000 0.998 233 I CA -0.745 60.628 61.300 0.123 0.000 1.227 233 I CB 1.374 39.446 38.000 0.120 0.000 1.368 233 I HN 0.138 nan 8.210 nan 0.000 0.466 234 V N 5.803 125.757 119.914 0.067 0.000 2.347 234 V HA 0.679 4.799 4.120 -0.000 0.000 0.280 234 V C 0.389 176.499 176.094 0.026 0.000 1.021 234 V CA -0.556 61.765 62.300 0.034 0.000 0.847 234 V CB 1.416 33.251 31.823 0.019 0.000 0.990 234 V HN 0.881 nan 8.190 nan 0.000 0.444 235 A N 4.273 127.113 122.820 0.033 0.000 2.330 235 A HA 0.901 5.221 4.320 -0.000 0.000 0.313 235 A C -0.061 177.544 177.584 0.034 0.000 1.124 235 A CA -0.375 51.685 52.037 0.039 0.000 0.774 235 A CB 1.418 20.452 19.000 0.057 0.000 1.198 235 A HN 1.287 nan 8.150 nan 0.000 0.465 236 A N 2.921 125.761 122.820 0.034 0.000 2.483 236 A HA 0.655 4.975 4.320 -0.000 0.000 0.308 236 A C 0.351 177.966 177.584 0.051 0.000 1.291 236 A CA 0.063 52.129 52.037 0.048 0.000 0.774 236 A CB -0.104 18.930 19.000 0.057 0.000 1.134 236 A HN 1.305 nan 8.150 nan 0.000 0.471 237 T N -1.154 113.431 114.554 0.052 0.000 2.849 237 T HA 0.606 4.956 4.350 -0.000 0.000 0.276 237 T C 1.575 176.306 174.700 0.051 0.000 0.971 237 T CA 0.051 62.181 62.100 0.050 0.000 0.949 237 T CB 1.200 70.096 68.868 0.047 0.000 1.093 237 T HN 1.115 nan 8.240 nan 0.000 0.545 238 A N 1.113 123.962 122.820 0.047 0.000 1.892 238 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 238 A C 2.586 180.196 177.584 0.043 0.000 1.188 238 A CA 2.640 54.704 52.037 0.045 0.000 0.631 238 A CB -1.637 17.387 19.000 0.040 0.000 0.822 238 A HN 1.236 nan 8.150 nan 0.000 0.447 239 S N -0.189 115.535 115.700 0.040 0.000 2.481 239 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 239 S C 0.577 175.202 174.600 0.042 0.000 0.996 239 S CA 0.327 58.548 58.200 0.036 0.000 0.942 239 S CB -0.355 62.864 63.200 0.031 0.000 0.768 239 S HN 0.636 nan 8.310 nan 0.000 0.520 240 E N 1.480 121.711 120.200 0.052 0.000 2.390 240 E HA 0.493 4.843 4.350 -0.000 0.000 0.261 240 E C 0.236 176.882 176.600 0.075 0.000 1.076 240 E CA -0.174 56.265 56.400 0.065 0.000 0.905 240 E CB 0.761 30.505 29.700 0.074 0.000 0.984 240 E HN 0.482 nan 8.360 nan 0.000 0.427 241 A N 1.737 124.609 122.820 0.086 0.000 2.555 241 A HA 0.150 4.470 4.320 -0.000 0.000 0.233 241 A C 1.251 178.901 177.584 0.110 0.000 1.060 241 A CA 0.699 52.786 52.037 0.082 0.000 0.759 241 A CB 0.301 19.351 19.000 0.083 0.000 0.995 241 A HN 0.803 nan 8.150 nan 0.000 0.506 242 A N 3.032 125.903 122.820 0.086 0.000 1.908 242 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 242 A C -0.128 177.568 177.584 0.186 0.000 1.181 242 A CA 2.011 54.117 52.037 0.116 0.000 0.627 242 A CB -1.632 17.413 19.000 0.075 0.000 0.818 242 A HN 0.640 nan 8.150 nan 0.000 0.445 243 P HA -0.152 nan 4.420 nan 0.000 0.216 243 P C 1.444 179.034 177.300 0.483 0.000 1.150 243 P CA 0.882 64.134 63.100 0.253 0.000 0.843 243 P CB -0.127 31.568 31.700 -0.007 0.000 0.787 244 L N -0.977 120.491 121.223 0.408 0.000 1.994 244 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 244 L C 2.678 179.681 176.870 0.222 0.000 1.071 244 L CA 1.674 56.704 54.840 0.317 0.000 0.745 244 L CB -1.140 41.052 42.059 0.222 0.000 0.892 244 L HN -0.009 nan 8.230 nan 0.000 0.431 245 Q N -0.857 119.059 119.800 0.193 0.000 2.096 245 Q HA -0.311 4.029 4.340 -0.000 0.000 0.208 245 Q C 2.133 178.236 176.000 0.173 0.000 0.993 245 Q CA 2.483 58.377 55.803 0.151 0.000 0.862 245 Q CB -0.507 28.314 28.738 0.138 0.000 0.915 245 Q HN 0.528 nan 8.270 nan 0.000 0.416 246 Y N 0.755 121.136 120.300 0.135 0.000 2.181 246 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 246 Y C 1.941 177.959 175.900 0.196 0.000 1.146 246 Y CA 1.241 59.434 58.100 0.155 0.000 1.164 246 Y CB -0.201 38.383 38.460 0.208 0.000 0.982 246 Y HN 0.081 nan 8.280 nan 0.000 0.515 247 L N 0.600 121.916 121.223 0.155 0.000 2.156 247 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 247 L C 2.556 179.442 176.870 0.026 0.000 1.095 247 L CA 1.607 56.503 54.840 0.092 0.000 0.770 247 L CB -1.233 40.985 42.059 0.264 0.000 0.914 247 L HN 0.359 nan 8.230 nan 0.000 0.439 248 A N 0.509 123.324 122.820 -0.008 0.000 1.859 248 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 248 A C 0.095 177.620 177.584 -0.099 0.000 1.209 248 A CA 2.336 54.353 52.037 -0.034 0.000 0.639 248 A CB -2.159 16.828 19.000 -0.021 0.000 0.835 248 A HN 0.375 nan 8.150 nan 0.000 0.450 249 P HA -0.176 nan 4.420 nan 0.000 0.216 249 P C 1.047 178.141 177.300 -0.343 0.000 1.154 249 P CA 1.427 64.309 63.100 -0.363 0.000 0.865 249 P CB -0.227 30.959 31.700 -0.856 0.000 0.789 250 F N -0.275 119.562 119.950 -0.189 0.000 2.134 250 F HA -0.174 4.353 4.527 -0.000 0.000 0.299 250 F C 2.433 178.197 175.800 -0.060 0.000 1.097 250 F CA 1.944 59.851 58.000 -0.155 0.000 1.264 250 F CB -2.141 36.720 39.000 -0.232 0.000 1.001 250 F HN -0.002 nan 8.300 nan 0.000 0.479 251 T N -2.158 112.465 114.554 0.115 0.000 2.942 251 T HA 0.056 4.406 4.350 -0.000 0.000 0.265 251 T C 2.172 176.913 174.700 0.069 0.000 1.062 251 T CA 0.765 62.910 62.100 0.075 0.000 1.139 251 T CB -0.822 68.066 68.868 0.034 0.000 0.883 251 T HN 0.187 nan 8.240 nan 0.000 0.468 252 A N 2.047 124.907 122.820 0.066 0.000 1.902 252 A HA 0.324 4.644 4.320 -0.000 0.000 0.217 252 A C 2.822 180.477 177.584 0.118 0.000 1.181 252 A CA 1.770 53.856 52.037 0.081 0.000 0.623 252 A CB -1.419 17.619 19.000 0.063 0.000 0.818 252 A HN 0.695 nan 8.150 nan 0.000 0.443 253 A N -0.388 122.520 122.820 0.147 0.000 1.917 253 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 253 A C 2.452 180.121 177.584 0.142 0.000 1.182 253 A CA 2.292 54.428 52.037 0.165 0.000 0.633 253 A CB -0.937 18.161 19.000 0.164 0.000 0.819 253 A HN 0.464 nan 8.150 nan 0.000 0.448 254 S N -0.433 115.341 115.700 0.124 0.000 2.368 254 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 254 S C 1.797 176.474 174.600 0.130 0.000 1.029 254 S CA 1.365 59.631 58.200 0.110 0.000 0.988 254 S CB -0.473 62.777 63.200 0.083 0.000 0.838 254 S HN 0.533 nan 8.310 nan 0.000 0.462 255 I N 1.338 121.984 120.570 0.126 0.000 2.163 255 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 255 I C 2.557 178.840 176.117 0.277 0.000 1.085 255 I CA 1.358 62.744 61.300 0.143 0.000 1.347 255 I CB -0.538 37.535 38.000 0.121 0.000 1.044 255 I HN 0.383 nan 8.210 nan 0.000 0.408 256 G N -0.519 108.456 108.800 0.292 0.000 2.511 256 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 256 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 256 G C 1.445 176.565 174.900 0.366 0.000 1.133 256 G CA 0.109 45.458 45.100 0.414 0.000 0.792 256 G HN 0.378 nan 8.290 nan 0.000 0.539 257 E N -0.714 119.622 120.200 0.226 0.000 2.338 257 E HA -0.098 4.252 4.350 -0.000 0.000 0.197 257 E C 1.795 178.456 176.600 0.101 0.000 1.007 257 E CA 0.184 56.670 56.400 0.144 0.000 0.849 257 E CB -0.118 29.642 29.700 0.101 0.000 0.774 257 E HN 0.678 nan 8.360 nan 0.000 0.506 258 W N 0.330 121.593 121.300 -0.063 0.000 2.358 258 W HA -0.187 4.473 4.660 -0.000 0.000 0.303 258 W C 1.255 177.607 176.519 -0.280 0.000 1.208 258 W CA 1.378 58.585 57.345 -0.230 0.000 1.274 258 W CB -0.211 29.012 29.460 -0.395 0.000 1.138 258 W HN -0.019 nan 8.180 nan 0.000 0.515 259 F N 0.263 120.232 119.950 0.031 0.000 2.113 259 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 259 F C 2.760 178.417 175.800 -0.238 0.000 1.103 259 F CA 2.103 60.011 58.000 -0.153 0.000 1.248 259 F CB -1.382 37.660 39.000 0.070 0.000 0.999 259 F HN -0.245 nan 8.300 nan 0.000 0.475 260 R N 0.783 121.327 120.500 0.073 0.000 2.094 260 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 260 R C 1.625 177.850 176.300 -0.124 0.000 1.137 260 R CA 2.238 58.332 56.100 -0.009 0.000 0.943 260 R CB -0.557 29.769 30.300 0.043 0.000 0.850 260 R HN 0.204 nan 8.270 nan 0.000 0.433 261 D N 0.088 120.381 120.400 -0.179 0.000 2.350 261 D HA -0.085 4.555 4.640 -0.000 0.000 0.216 261 D C 0.208 176.319 176.300 -0.316 0.000 0.968 261 D CA 0.810 54.681 54.000 -0.215 0.000 0.894 261 D CB -0.137 40.543 40.800 -0.201 0.000 0.909 261 D HN 0.261 nan 8.370 nan 0.000 0.520 262 N N 0.200 118.619 118.700 -0.469 0.000 2.635 262 N HA 0.178 4.917 4.740 -0.000 0.000 0.307 262 N C 0.637 175.941 175.510 -0.343 0.000 1.433 262 N CA -0.034 52.713 53.050 -0.504 0.000 0.973 262 N CB 1.139 39.061 38.487 -0.942 0.000 1.304 262 N HN 0.022 nan 8.380 nan 0.000 0.507 263 G N 1.277 109.928 108.800 -0.249 0.000 2.361 263 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.294 263 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.294 263 G C 0.152 174.878 174.900 -0.290 0.000 1.004 263 G CA 0.997 45.966 45.100 -0.218 0.000 0.870 263 G HN 0.355 nan 8.290 nan 0.000 0.510 264 K N -0.799 119.422 120.400 -0.300 0.000 2.346 264 K HA 0.722 5.042 4.320 -0.000 0.000 0.238 264 K C -0.220 176.172 176.600 -0.347 0.000 1.039 264 K CA -1.009 55.139 56.287 -0.232 0.000 0.861 264 K CB 1.306 33.892 32.500 0.142 0.000 1.278 264 K HN 0.304 nan 8.250 nan 0.000 0.460 265 H N -0.325 118.844 119.070 0.164 0.000 2.538 265 H HA 0.642 5.198 4.556 -0.000 0.000 0.353 265 H C -1.079 174.285 175.328 0.060 0.000 1.109 265 H CA -0.931 55.159 56.048 0.069 0.000 1.192 265 H CB 1.978 31.718 29.762 -0.037 0.000 1.555 265 H HN 0.677 nan 8.280 nan 0.000 0.518 266 A N 2.843 125.745 122.820 0.137 0.000 2.413 266 A HA 0.611 4.931 4.320 -0.000 0.000 0.307 266 A C -1.025 176.559 177.584 -0.000 0.000 1.087 266 A CA -0.809 51.234 52.037 0.010 0.000 0.750 266 A CB 1.791 20.781 19.000 -0.017 0.000 1.296 266 A HN 0.630 nan 8.150 nan 0.000 0.423 267 L N 1.734 122.936 121.223 -0.036 0.000 2.365 267 L HA 0.880 5.220 4.340 -0.000 0.000 0.273 267 L C -1.227 175.590 176.870 -0.088 0.000 1.000 267 L CA -0.612 54.194 54.840 -0.058 0.000 0.819 267 L CB 1.354 43.378 42.059 -0.057 0.000 1.284 267 L HN 0.729 nan 8.230 nan 0.000 0.418 268 I N 4.895 125.359 120.570 -0.177 0.000 2.433 268 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 268 I C -1.149 174.680 176.117 -0.480 0.000 1.001 268 I CA -0.805 60.297 61.300 -0.329 0.000 1.119 268 I CB 1.889 39.626 38.000 -0.438 0.000 1.289 268 I HN 0.504 nan 8.210 nan 0.000 0.438 269 V N 7.965 127.637 119.914 -0.403 0.000 2.370 269 V HA 0.294 4.414 4.120 -0.000 0.000 0.283 269 V C -1.066 174.726 176.094 -0.504 0.000 1.023 269 V CA -0.460 61.631 62.300 -0.348 0.000 0.857 269 V CB 1.060 32.851 31.823 -0.053 0.000 0.985 269 V HN 0.469 nan 8.190 nan 0.000 0.443 270 Y N 2.566 122.733 120.300 -0.222 0.000 2.504 270 Y HA 0.483 5.033 4.550 -0.000 0.000 0.339 270 Y C 0.285 176.028 175.900 -0.261 0.000 0.974 270 Y CA -1.152 56.786 58.100 -0.271 0.000 1.232 270 Y CB 0.802 39.105 38.460 -0.260 0.000 1.108 270 Y HN 0.551 nan 8.280 nan 0.000 0.509 271 D N 3.557 123.837 120.400 -0.200 0.000 2.404 271 D HA 0.188 4.828 4.640 -0.000 0.000 0.267 271 D C -1.292 174.946 176.300 -0.104 0.000 1.194 271 D CA -0.396 53.506 54.000 -0.163 0.000 0.910 271 D CB 0.237 40.894 40.800 -0.238 0.000 1.090 271 D HN 0.669 nan 8.370 nan 0.000 0.511 272 D N 0.221 120.588 120.400 -0.055 0.000 2.531 272 D HA 0.248 4.888 4.640 -0.000 0.000 0.244 272 D C 0.916 177.177 176.300 -0.066 0.000 1.090 272 D CA -0.747 53.220 54.000 -0.056 0.000 0.989 272 D CB 1.106 41.883 40.800 -0.038 0.000 1.433 272 D HN 0.065 nan 8.370 nan 0.000 0.492 273 L N 0.151 121.302 121.223 -0.121 0.000 2.492 273 L HA 0.021 4.361 4.340 -0.000 0.000 0.223 273 L C 1.735 178.594 176.870 -0.018 0.000 1.132 273 L CA 0.298 55.033 54.840 -0.175 0.000 0.850 273 L CB -0.265 41.457 42.059 -0.561 0.000 0.966 273 L HN 0.413 nan 8.230 nan 0.000 0.454 274 S N 0.322 116.014 115.700 -0.013 0.000 2.345 274 S HA -0.160 4.309 4.470 -0.000 0.000 0.220 274 S C 1.963 176.626 174.600 0.105 0.000 1.031 274 S CA 1.357 59.586 58.200 0.048 0.000 0.996 274 S CB 0.035 63.254 63.200 0.030 0.000 0.882 274 S HN 0.354 nan 8.310 nan 0.000 0.445 275 K N 0.971 121.417 120.400 0.077 0.000 2.097 275 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 275 K C 2.444 179.115 176.600 0.119 0.000 1.050 275 K CA 0.823 57.166 56.287 0.093 0.000 0.938 275 K CB -0.153 32.383 32.500 0.061 0.000 0.718 275 K HN 0.311 nan 8.250 nan 0.000 0.442 276 Q N 0.640 120.501 119.800 0.102 0.000 2.135 276 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 276 Q C 1.927 178.055 176.000 0.213 0.000 0.981 276 Q CA 1.673 57.550 55.803 0.124 0.000 0.856 276 Q CB -0.076 28.681 28.738 0.030 0.000 0.902 276 Q HN 0.338 nan 8.270 nan 0.000 0.425 277 A N -0.165 122.794 122.820 0.232 0.000 1.969 277 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 277 A C 2.186 180.019 177.584 0.415 0.000 1.169 277 A CA 1.179 53.388 52.037 0.287 0.000 0.635 277 A CB -0.475 18.632 19.000 0.179 0.000 0.810 277 A HN 0.289 nan 8.150 nan 0.000 0.445 278 V N -0.261 119.848 119.914 0.324 0.000 2.358 278 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 278 V C 3.036 179.229 176.094 0.165 0.000 1.047 278 V CA 1.905 64.339 62.300 0.223 0.000 1.035 278 V CB -0.978 30.940 31.823 0.158 0.000 0.658 278 V HN 0.612 nan 8.190 nan 0.000 0.452 279 A N -1.042 121.896 122.820 0.198 0.000 1.898 279 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 279 A C 2.180 179.905 177.584 0.235 0.000 1.181 279 A CA 1.902 54.054 52.037 0.191 0.000 0.620 279 A CB -0.799 18.331 19.000 0.217 0.000 0.819 279 A HN 0.585 nan 8.150 nan 0.000 0.442 280 Y N 0.658 121.062 120.300 0.172 0.000 2.165 280 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 280 Y C 2.476 178.411 175.900 0.059 0.000 1.155 280 Y CA 2.013 60.192 58.100 0.132 0.000 1.164 280 Y CB -0.630 37.970 38.460 0.234 0.000 0.978 280 Y HN 0.361 nan 8.280 nan 0.000 0.513 281 R N 0.126 120.649 120.500 0.039 0.000 2.096 281 R HA -0.279 4.061 4.340 -0.000 0.000 0.240 281 R C 2.523 178.745 176.300 -0.129 0.000 1.139 281 R CA 2.154 58.183 56.100 -0.118 0.000 0.952 281 R CB -0.470 29.735 30.300 -0.158 0.000 0.854 281 R HN 0.585 nan 8.270 nan 0.000 0.436 282 Q N 0.449 120.215 119.800 -0.057 0.000 2.061 282 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 282 Q C 2.235 178.189 176.000 -0.076 0.000 0.984 282 Q CA 1.970 57.740 55.803 -0.054 0.000 0.846 282 Q CB -0.224 28.508 28.738 -0.011 0.000 0.902 282 Q HN 0.535 nan 8.270 nan 0.000 0.421 283 L N 0.188 121.364 121.223 -0.079 0.000 2.017 283 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 283 L C 2.191 178.968 176.870 -0.155 0.000 1.073 283 L CA 1.838 56.610 54.840 -0.113 0.000 0.745 283 L CB -0.309 41.675 42.059 -0.126 0.000 0.894 283 L HN 0.208 nan 8.230 nan 0.000 0.432 284 S N 0.305 115.863 115.700 -0.236 0.000 2.368 284 S HA -0.123 4.347 4.470 -0.000 0.000 0.224 284 S C 1.903 176.410 174.600 -0.155 0.000 1.029 284 S CA 1.440 59.495 58.200 -0.242 0.000 0.988 284 S CB -0.398 62.562 63.200 -0.400 0.000 0.838 284 S HN 0.410 nan 8.310 nan 0.000 0.462 285 L N 0.848 121.986 121.223 -0.141 0.000 2.083 285 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 285 L C 2.163 178.986 176.870 -0.077 0.000 1.083 285 L CA 1.029 55.808 54.840 -0.100 0.000 0.752 285 L CB -0.489 41.512 42.059 -0.096 0.000 0.899 285 L HN 0.291 nan 8.230 nan 0.000 0.433 286 L N -0.766 120.410 121.223 -0.078 0.000 2.156 286 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 286 L C 2.139 178.975 176.870 -0.057 0.000 1.095 286 L CA 0.714 55.517 54.840 -0.061 0.000 0.770 286 L CB -0.230 41.793 42.059 -0.060 0.000 0.914 286 L HN 0.238 nan 8.230 nan 0.000 0.439 287 L N -0.161 121.022 121.223 -0.067 0.000 2.622 287 L HA -0.029 4.311 4.340 -0.000 0.000 0.233 287 L C 0.703 177.547 176.870 -0.044 0.000 1.156 287 L CA 0.244 55.051 54.840 -0.054 0.000 0.866 287 L CB -0.399 41.622 42.059 -0.063 0.000 0.980 287 L HN 0.290 nan 8.230 nan 0.000 0.448 288 R N -0.016 120.456 120.500 -0.047 0.000 3.641 288 R HA -0.183 4.157 4.340 -0.000 0.000 0.286 288 R C -0.030 176.248 176.300 -0.037 0.000 1.153 288 R CA 0.471 56.548 56.100 -0.039 0.000 0.775 288 R CB -1.759 28.525 30.300 -0.027 0.000 1.215 288 R HN 0.423 nan 8.270 nan 0.000 0.474 289 R N 1.395 121.866 120.500 -0.049 0.000 2.296 289 R HA 0.149 4.489 4.340 -0.000 0.000 0.323 289 R C -2.081 174.195 176.300 -0.041 0.000 1.067 289 R CA -1.678 54.396 56.100 -0.043 0.000 0.946 289 R CB 0.421 30.688 30.300 -0.056 0.000 0.991 289 R HN -0.108 nan 8.270 nan 0.000 0.448 290 P HA -0.064 nan 4.420 nan 0.000 0.255 290 P C -2.094 175.197 177.300 -0.015 0.000 1.161 290 P CA -0.391 62.698 63.100 -0.018 0.000 0.768 290 P CB 0.052 31.748 31.700 -0.008 0.000 0.746 291 P HA 0.282 nan 4.420 nan 0.000 0.279 291 P C 0.228 177.543 177.300 0.025 0.000 1.282 291 P CA -0.161 62.935 63.100 -0.005 0.000 0.788 291 P CB 1.084 32.768 31.700 -0.026 0.000 1.139 292 G N -0.663 108.177 108.800 0.066 0.000 3.286 292 G HA2 0.286 4.246 3.960 -0.000 0.000 0.166 292 G HA3 0.286 4.246 3.960 -0.000 0.000 0.166 292 G C -0.530 174.408 174.900 0.063 0.000 1.155 292 G CA -0.615 44.527 45.100 0.070 0.000 0.871 292 G HN 0.552 nan 8.290 nan 0.000 0.637 293 R N 0.992 121.505 120.500 0.021 0.000 2.522 293 R HA 0.095 4.435 4.340 -0.000 0.000 0.284 293 R C 0.061 176.431 176.300 0.117 0.000 1.032 293 R CA 0.792 56.834 56.100 -0.097 0.000 1.049 293 R CB -0.176 29.797 30.300 -0.544 0.000 0.956 293 R HN 0.710 nan 8.270 nan 0.000 0.422 294 E N 2.588 122.840 120.200 0.087 0.000 2.604 294 E HA -0.341 4.009 4.350 -0.000 0.000 0.255 294 E C 0.394 177.020 176.600 0.043 0.000 1.164 294 E CA 0.532 57.023 56.400 0.152 0.000 0.737 294 E CB -1.271 28.636 29.700 0.345 0.000 1.317 294 E HN 0.868 nan 8.360 nan 0.000 0.417 295 A N -2.658 120.172 122.820 0.018 0.000 3.383 295 A HA -0.311 4.009 4.320 -0.000 0.000 0.264 295 A C 0.263 177.778 177.584 -0.114 0.000 1.154 295 A CA 1.642 53.632 52.037 -0.079 0.000 1.179 295 A CB -1.978 16.934 19.000 -0.147 0.000 1.133 295 A HN 0.426 nan 8.150 nan 0.000 0.933 296 Y N -0.084 120.273 120.300 0.096 0.000 2.330 296 Y HA 0.429 4.979 4.550 -0.000 0.000 0.341 296 Y C -1.567 174.366 175.900 0.054 0.000 1.278 296 Y CA -1.086 57.072 58.100 0.097 0.000 1.453 296 Y CB -0.029 38.565 38.460 0.223 0.000 1.342 296 Y HN 0.154 nan 8.280 nan 0.000 0.590 297 P HA 0.077 nan 4.420 nan 0.000 0.274 297 P C 0.559 177.973 177.300 0.190 0.000 1.237 297 P CA 0.190 63.319 63.100 0.048 0.000 0.793 297 P CB 0.820 32.406 31.700 -0.191 0.000 0.977 298 G N 1.673 110.563 108.800 0.149 0.000 2.475 298 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 298 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 298 G C 0.526 175.563 174.900 0.227 0.000 1.125 298 G CA 0.794 45.998 45.100 0.172 0.000 0.755 298 G HN 0.636 nan 8.290 nan 0.000 0.565 299 D N 0.223 120.781 120.400 0.265 0.000 2.722 299 D HA 0.142 4.782 4.640 -0.000 0.000 0.239 299 D C 1.538 178.078 176.300 0.400 0.000 1.249 299 D CA -0.538 53.664 54.000 0.337 0.000 0.830 299 D CB 0.285 41.289 40.800 0.340 0.000 1.025 299 D HN 0.086 nan 8.370 nan 0.000 0.486 300 V N -0.198 119.919 119.914 0.339 0.000 2.626 300 V HA -0.114 4.006 4.120 -0.000 0.000 0.252 300 V C 1.656 177.773 176.094 0.038 0.000 1.067 300 V CA 1.212 63.642 62.300 0.216 0.000 1.081 300 V CB -0.737 31.153 31.823 0.113 0.000 0.686 300 V HN 0.311 nan 8.190 nan 0.000 0.468 301 F N -0.023 119.929 119.950 0.004 0.000 2.146 301 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 301 F C 2.113 177.962 175.800 0.082 0.000 1.096 301 F CA 2.196 60.201 58.000 0.008 0.000 1.275 301 F CB -0.527 38.508 39.000 0.058 0.000 1.008 301 F HN 0.346 nan 8.300 nan 0.000 0.480 302 Y N 0.793 121.174 120.300 0.134 0.000 2.352 302 Y HA -0.159 4.391 4.550 -0.000 0.000 0.292 302 Y C 2.045 177.900 175.900 -0.075 0.000 1.136 302 Y CA 1.496 59.616 58.100 0.034 0.000 1.227 302 Y CB -0.698 37.850 38.460 0.145 0.000 0.991 302 Y HN 0.258 nan 8.280 nan 0.000 0.545 303 L N -0.436 120.671 121.223 -0.193 0.000 2.042 303 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 303 L C 1.942 178.637 176.870 -0.292 0.000 1.076 303 L CA 2.283 56.929 54.840 -0.324 0.000 0.749 303 L CB -0.678 41.105 42.059 -0.459 0.000 0.893 303 L HN 0.321 nan 8.230 nan 0.000 0.432 304 H N -1.966 116.910 119.070 -0.322 0.000 2.562 304 H HA 0.056 4.612 4.556 -0.000 0.000 0.267 304 H C 2.238 177.307 175.328 -0.431 0.000 0.959 304 H CA 0.597 56.407 56.048 -0.397 0.000 1.204 304 H CB 0.281 29.818 29.762 -0.375 0.000 1.430 304 H HN 0.545 nan 8.280 nan 0.000 0.545 305 S N 1.058 116.521 115.700 -0.394 0.000 2.421 305 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 305 S C 2.103 176.581 174.600 -0.203 0.000 1.035 305 S CA 0.189 58.168 58.200 -0.368 0.000 0.953 305 S CB -0.022 62.867 63.200 -0.518 0.000 0.810 305 S HN 0.449 nan 8.310 nan 0.000 0.497 306 R N 1.059 121.387 120.500 -0.287 0.000 2.096 306 R HA -0.014 4.326 4.340 -0.000 0.000 0.235 306 R C 2.206 178.455 176.300 -0.084 0.000 1.127 306 R CA 1.447 57.410 56.100 -0.228 0.000 0.968 306 R CB -0.932 29.043 30.300 -0.541 0.000 0.861 306 R HN 0.463 nan 8.270 nan 0.000 0.440 307 L N 1.341 122.517 121.223 -0.079 0.000 2.005 307 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 307 L C 2.291 179.089 176.870 -0.120 0.000 1.072 307 L CA 1.569 56.333 54.840 -0.127 0.000 0.744 307 L CB -0.326 41.442 42.059 -0.485 0.000 0.895 307 L HN 0.193 nan 8.230 nan 0.000 0.433 308 L N -0.548 120.589 121.223 -0.144 0.000 2.376 308 L HA -0.053 4.287 4.340 -0.000 0.000 0.219 308 L C 2.247 179.106 176.870 -0.019 0.000 1.133 308 L CA 0.414 55.212 54.840 -0.069 0.000 0.816 308 L CB -0.463 41.530 42.059 -0.110 0.000 0.933 308 L HN 0.307 nan 8.230 nan 0.000 0.449 309 E N 0.176 120.362 120.200 -0.024 0.000 2.427 309 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 309 E C 2.030 178.646 176.600 0.026 0.000 1.028 309 E CA 0.417 56.822 56.400 0.008 0.000 0.864 309 E CB 0.144 29.854 29.700 0.016 0.000 0.813 309 E HN 0.505 nan 8.360 nan 0.000 0.514 310 R N 0.697 121.216 120.500 0.033 0.000 2.153 310 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 310 R C 1.047 177.384 176.300 0.062 0.000 1.072 310 R CA 0.478 56.610 56.100 0.053 0.000 0.990 310 R CB 0.005 30.347 30.300 0.070 0.000 0.889 310 R HN -0.082 nan 8.270 nan 0.000 0.452 311 A N 1.368 124.226 122.820 0.064 0.000 2.454 311 A HA 0.564 4.884 4.320 -0.000 0.000 0.260 311 A C -0.138 177.469 177.584 0.039 0.000 1.106 311 A CA 0.215 52.284 52.037 0.053 0.000 0.780 311 A CB 0.295 19.323 19.000 0.048 0.000 1.044 311 A HN 0.338 nan 8.150 nan 0.000 0.498 312 A N 2.250 125.093 122.820 0.039 0.000 2.567 312 A HA 0.659 4.979 4.320 -0.000 0.000 0.291 312 A C -0.905 176.704 177.584 0.042 0.000 1.048 312 A CA -0.705 51.353 52.037 0.036 0.000 0.661 312 A CB 0.840 19.861 19.000 0.035 0.000 1.288 312 A HN 0.984 nan 8.150 nan 0.000 0.424 313 K N 1.477 121.902 120.400 0.042 0.000 2.293 313 K HA 0.684 5.004 4.320 -0.000 0.000 0.267 313 K C -0.996 175.637 176.600 0.054 0.000 1.010 313 K CA -0.301 56.020 56.287 0.056 0.000 0.875 313 K CB 0.384 32.917 32.500 0.055 0.000 1.106 313 K HN 0.601 nan 8.250 nan 0.000 0.450 314 L N 3.024 124.279 121.223 0.054 0.000 2.453 314 L HA 0.296 4.636 4.340 -0.000 0.000 0.261 314 L C 0.747 177.639 176.870 0.037 0.000 1.179 314 L CA -0.642 54.218 54.840 0.034 0.000 0.813 314 L CB 1.189 43.257 42.059 0.014 0.000 1.110 314 L HN 0.897 nan 8.230 nan 0.000 0.466 315 S N -0.073 115.640 115.700 0.021 0.000 2.617 315 S HA 0.028 4.498 4.470 -0.000 0.000 0.255 315 S C 0.830 175.439 174.600 0.015 0.000 1.318 315 S CA -0.440 57.770 58.200 0.017 0.000 0.978 315 S CB 0.936 64.140 63.200 0.007 0.000 0.961 315 S HN 0.683 nan 8.310 nan 0.000 0.582 316 E N 0.603 120.809 120.200 0.009 0.000 2.047 316 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 316 E C 2.084 178.683 176.600 -0.002 0.000 0.987 316 E CA 1.320 57.723 56.400 0.006 0.000 0.799 316 E CB -0.219 29.481 29.700 0.000 0.000 0.752 316 E HN 0.770 nan 8.360 nan 0.000 0.449 317 K N 0.868 121.265 120.400 -0.005 0.000 2.089 317 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 317 K C 1.612 178.204 176.600 -0.013 0.000 1.048 317 K CA 1.667 57.949 56.287 -0.008 0.000 0.926 317 K CB 0.076 32.572 32.500 -0.007 0.000 0.714 317 K HN -0.051 nan 8.250 nan 0.000 0.448 318 E N -1.012 119.181 120.200 -0.012 0.000 2.489 318 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 318 E C 0.910 177.491 176.600 -0.031 0.000 1.057 318 E CA 0.773 57.161 56.400 -0.020 0.000 0.866 318 E CB 0.851 30.543 29.700 -0.013 0.000 0.916 318 E HN 0.659 nan 8.360 nan 0.000 0.500 319 G N 0.469 109.253 108.800 -0.026 0.000 2.195 319 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.224 319 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.224 319 G C 0.655 175.539 174.900 -0.027 0.000 0.990 319 G CA 0.315 45.391 45.100 -0.039 0.000 0.639 319 G HN 0.145 nan 8.290 nan 0.000 0.514 320 S N -1.474 114.228 115.700 0.004 0.000 2.929 320 S HA -0.161 4.309 4.470 -0.000 0.000 0.271 320 S C 1.801 176.443 174.600 0.070 0.000 1.295 320 S CA 1.530 59.764 58.200 0.055 0.000 1.277 320 S CB -1.557 61.692 63.200 0.081 0.000 1.557 320 S HN 2.258 nan 8.310 nan 0.000 0.666 321 G N 1.387 110.162 108.800 -0.041 0.000 2.690 321 G HA2 0.451 4.411 3.960 -0.000 0.000 0.239 321 G HA3 0.451 4.411 3.960 -0.000 0.000 0.239 321 G C -0.055 174.894 174.900 0.083 0.000 1.233 321 G CA 0.577 45.613 45.100 -0.105 0.000 0.847 321 G HN 1.318 nan 8.290 nan 0.000 0.588 322 S N -0.721 115.087 115.700 0.181 0.000 2.556 322 S HA 0.623 5.093 4.470 -0.000 0.000 0.271 322 S C -1.463 173.219 174.600 0.137 0.000 1.135 322 S CA -0.852 57.464 58.200 0.193 0.000 0.858 322 S CB 2.010 65.349 63.200 0.232 0.000 1.114 322 S HN 1.027 nan 8.310 nan 0.000 0.468 323 L N 2.232 123.505 121.223 0.083 0.000 2.376 323 L HA 0.725 5.065 4.340 -0.000 0.000 0.275 323 L C -0.715 176.168 176.870 0.021 0.000 0.987 323 L CA 0.231 55.107 54.840 0.061 0.000 0.828 323 L CB 1.947 44.048 42.059 0.071 0.000 1.249 323 L HN 0.917 nan 8.230 nan 0.000 0.409 324 T N 4.213 118.761 114.554 -0.010 0.000 2.794 324 T HA 0.844 5.194 4.350 -0.000 0.000 0.280 324 T C -0.418 174.238 174.700 -0.073 0.000 0.987 324 T CA -0.317 61.758 62.100 -0.041 0.000 0.993 324 T CB 1.464 70.295 68.868 -0.061 0.000 0.939 324 T HN 0.776 nan 8.240 nan 0.000 0.449 325 A N 3.276 126.055 122.820 -0.069 0.000 2.331 325 A HA 0.773 5.093 4.320 -0.000 0.000 0.320 325 A C -0.563 176.960 177.584 -0.102 0.000 1.138 325 A CA -0.736 51.229 52.037 -0.120 0.000 0.790 325 A CB 0.596 19.595 19.000 -0.002 0.000 1.206 325 A HN 0.863 nan 8.150 nan 0.000 0.470 326 L N 4.398 125.529 121.223 -0.154 0.000 2.435 326 L HA 0.321 4.661 4.340 -0.000 0.000 0.253 326 L C -2.334 174.480 176.870 -0.093 0.000 1.087 326 L CA -1.743 53.036 54.840 -0.102 0.000 0.950 326 L CB 1.379 43.388 42.059 -0.084 0.000 1.304 326 L HN 0.477 nan 8.230 nan 0.000 0.453 327 P HA 0.114 nan 4.420 nan 0.000 0.275 327 P C -0.346 176.914 177.300 -0.065 0.000 1.227 327 P CA -0.065 63.047 63.100 0.021 0.000 0.781 327 P CB 1.818 33.516 31.700 -0.004 0.000 0.906 328 V N 4.713 124.586 119.914 -0.068 0.000 2.532 328 V HA 0.422 4.542 4.120 -0.000 0.000 0.295 328 V C 0.523 176.556 176.094 -0.101 0.000 1.041 328 V CA -0.529 61.724 62.300 -0.078 0.000 0.926 328 V CB 1.533 33.327 31.823 -0.047 0.000 0.992 328 V HN 0.428 nan 8.190 nan 0.000 0.457 329 I N 3.030 123.539 120.570 -0.102 0.000 2.569 329 I HA 0.397 4.566 4.170 -0.000 0.000 0.290 329 I C -0.181 175.902 176.117 -0.056 0.000 1.088 329 I CA -0.349 60.895 61.300 -0.093 0.000 1.047 329 I CB 2.122 40.048 38.000 -0.123 0.000 1.237 329 I HN 0.757 nan 8.210 nan 0.000 0.421 330 E N 5.018 125.203 120.200 -0.024 0.000 2.174 330 E HA 0.401 4.751 4.350 -0.000 0.000 0.282 330 E C -0.534 176.078 176.600 0.019 0.000 0.992 330 E CA -0.311 56.089 56.400 0.000 0.000 0.803 330 E CB 1.248 30.955 29.700 0.012 0.000 1.090 330 E HN 0.695 nan 8.360 nan 0.000 0.396 331 T N 1.789 116.363 114.554 0.032 0.000 2.912 331 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 331 T C -0.133 174.603 174.700 0.060 0.000 0.989 331 T CA -1.012 61.122 62.100 0.057 0.000 0.995 331 T CB 1.495 70.415 68.868 0.087 0.000 1.077 331 T HN 0.339 nan 8.240 nan 0.000 0.531 332 Q N 0.224 120.065 119.800 0.069 0.000 2.327 332 Q HA 0.488 4.828 4.340 -0.000 0.000 0.270 332 Q C 0.783 176.821 176.000 0.063 0.000 1.022 332 Q CA -0.175 55.666 55.803 0.063 0.000 0.773 332 Q CB 1.410 30.188 28.738 0.068 0.000 1.251 332 Q HN 1.321 nan 8.270 nan 0.000 0.457 333 G N 1.647 110.481 108.800 0.056 0.000 2.198 333 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.260 333 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.260 333 G C 0.837 175.771 174.900 0.057 0.000 1.025 333 G CA 0.690 45.821 45.100 0.053 0.000 0.769 333 G HN 1.299 nan 8.290 nan 0.000 0.507 334 G N -0.658 108.183 108.800 0.068 0.000 2.212 334 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.266 334 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.266 334 G C 0.421 175.375 174.900 0.089 0.000 0.978 334 G CA 0.997 46.144 45.100 0.078 0.000 0.632 334 G HN 1.410 nan 8.290 nan 0.000 0.537 335 D N 1.230 121.679 120.400 0.082 0.000 2.542 335 D HA 0.266 4.906 4.640 -0.000 0.000 0.242 335 D C 1.918 178.284 176.300 0.111 0.000 1.207 335 D CA 0.643 54.694 54.000 0.085 0.000 1.172 335 D CB 0.009 40.855 40.800 0.077 0.000 1.126 335 D HN 0.794 nan 8.370 nan 0.000 0.500 336 V N 0.455 120.452 119.914 0.139 0.000 3.636 336 V HA 0.117 4.237 4.120 -0.000 0.000 0.279 336 V C 1.383 177.568 176.094 0.152 0.000 1.263 336 V CA 0.256 62.672 62.300 0.193 0.000 1.182 336 V CB 0.079 32.129 31.823 0.377 0.000 0.955 336 V HN 0.218 nan 8.190 nan 0.000 0.443 337 S N 0.387 116.156 115.700 0.115 0.000 2.540 337 S HA 0.605 5.075 4.470 -0.000 0.000 0.218 337 S C 1.257 175.924 174.600 0.112 0.000 0.977 337 S CA 0.305 58.566 58.200 0.102 0.000 0.918 337 S CB 0.123 63.369 63.200 0.077 0.000 0.806 337 S HN 0.904 nan 8.310 nan 0.000 0.496 338 A N 0.592 123.482 122.820 0.118 0.000 2.366 338 A HA 0.357 4.677 4.320 -0.000 0.000 0.250 338 A C 0.891 178.586 177.584 0.186 0.000 1.099 338 A CA -0.129 51.991 52.037 0.140 0.000 0.794 338 A CB -0.199 18.878 19.000 0.128 0.000 1.056 338 A HN 0.352 nan 8.150 nan 0.000 0.499 339 Y N 0.690 121.015 120.300 0.042 0.000 2.006 339 Y HA -0.239 4.311 4.550 -0.000 0.000 0.266 339 Y C 2.042 177.944 175.900 0.004 0.000 1.133 339 Y CA 2.254 60.367 58.100 0.022 0.000 1.098 339 Y CB -0.440 38.026 38.460 0.011 0.000 0.969 339 Y HN 0.469 nan 8.280 nan 0.000 0.482 340 I N 0.585 121.056 120.570 -0.164 0.000 2.264 340 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 340 I C -0.528 175.534 176.117 -0.091 0.000 1.111 340 I CA 1.454 62.592 61.300 -0.271 0.000 1.382 340 I CB -2.755 35.077 38.000 -0.280 0.000 1.060 340 I HN 0.245 nan 8.210 nan 0.000 0.418 341 P HA -0.053 nan 4.420 nan 0.000 0.220 341 P C 1.649 178.961 177.300 0.020 0.000 1.152 341 P CA 1.459 64.554 63.100 -0.008 0.000 0.812 341 P CB -0.148 31.569 31.700 0.028 0.000 0.792 342 T N -3.538 111.055 114.554 0.064 0.000 3.023 342 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 342 T C 1.684 176.452 174.700 0.113 0.000 1.093 342 T CA 0.697 62.855 62.100 0.097 0.000 1.129 342 T CB -0.829 68.113 68.868 0.125 0.000 0.899 342 T HN -0.023 nan 8.240 nan 0.000 0.491 343 N N 1.571 120.327 118.700 0.094 0.000 2.025 343 N HA -0.065 4.675 4.740 -0.000 0.000 0.194 343 N C 1.952 177.548 175.510 0.143 0.000 1.044 343 N CA 1.200 54.362 53.050 0.187 0.000 0.851 343 N CB -0.732 37.792 38.487 0.062 0.000 1.036 343 N HN 0.283 nan 8.380 nan 0.000 0.422 344 V N 1.445 121.364 119.914 0.008 0.000 2.515 344 V HA -0.104 4.016 4.120 -0.000 0.000 0.250 344 V C 2.232 178.302 176.094 -0.041 0.000 1.058 344 V CA 0.881 63.135 62.300 -0.078 0.000 1.064 344 V CB -0.352 31.364 31.823 -0.177 0.000 0.675 344 V HN 0.223 nan 8.190 nan 0.000 0.461 345 I N 1.232 121.800 120.570 -0.002 0.000 2.179 345 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 345 I C 2.554 178.704 176.117 0.055 0.000 1.088 345 I CA 1.877 63.184 61.300 0.012 0.000 1.357 345 I CB -0.442 37.582 38.000 0.040 0.000 1.051 345 I HN 0.468 nan 8.210 nan 0.000 0.409 346 S N 0.255 116.022 115.700 0.111 0.000 2.595 346 S HA 0.012 4.482 4.470 -0.000 0.000 0.235 346 S C 1.601 176.304 174.600 0.172 0.000 0.974 346 S CA 0.649 58.942 58.200 0.155 0.000 0.942 346 S CB -0.514 62.809 63.200 0.206 0.000 0.766 346 S HN 0.451 nan 8.310 nan 0.000 0.536 347 I N 1.234 121.860 120.570 0.093 0.000 3.194 347 I HA 0.054 4.224 4.170 -0.000 0.000 0.271 347 I C 1.428 177.546 176.117 0.001 0.000 1.150 347 I CA 0.614 61.929 61.300 0.024 0.000 1.440 347 I CB -0.328 37.600 38.000 -0.120 0.000 1.276 347 I HN 0.354 nan 8.210 nan 0.000 0.457 348 T N -1.537 113.006 114.554 -0.019 0.000 2.754 348 T HA 0.104 4.454 4.350 -0.000 0.000 0.286 348 T C 0.164 174.862 174.700 -0.003 0.000 0.997 348 T CA -0.445 61.641 62.100 -0.024 0.000 0.982 348 T CB 0.662 69.500 68.868 -0.050 0.000 1.027 348 T HN 0.034 nan 8.240 nan 0.000 0.529 349 D N 0.935 121.331 120.400 -0.006 0.000 3.072 349 D HA 0.436 5.076 4.640 -0.000 0.000 0.250 349 D C 0.892 177.194 176.300 0.002 0.000 1.304 349 D CA 0.223 54.226 54.000 0.005 0.000 0.861 349 D CB -0.415 40.387 40.800 0.003 0.000 1.062 349 D HN 1.023 nan 8.370 nan 0.000 0.481 350 G N 1.139 109.940 108.800 0.001 0.000 2.497 350 G HA2 0.015 3.974 3.960 -0.000 0.000 0.686 350 G HA3 0.015 3.974 3.960 -0.000 0.000 0.686 350 G C -1.374 173.508 174.900 -0.030 0.000 1.288 350 G CA -1.089 44.013 45.100 0.003 0.000 0.899 350 G HN 0.136 nan 8.290 nan 0.000 0.608 351 Q N -1.040 118.740 119.800 -0.032 0.000 2.423 351 Q HA 0.805 5.145 4.340 -0.000 0.000 0.278 351 Q C -0.331 175.632 176.000 -0.062 0.000 1.097 351 Q CA -0.703 55.030 55.803 -0.117 0.000 0.809 351 Q CB 2.160 30.721 28.738 -0.294 0.000 1.391 351 Q HN 0.731 nan 8.270 nan 0.000 0.428 352 I N 1.474 121.983 120.570 -0.103 0.000 2.354 352 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 352 I C -0.920 175.137 176.117 -0.099 0.000 0.989 352 I CA -0.472 60.809 61.300 -0.030 0.000 1.188 352 I CB 0.765 38.754 38.000 -0.019 0.000 1.342 352 I HN 0.472 nan 8.210 nan 0.000 0.457 353 F N 6.747 126.704 119.950 0.013 0.000 2.385 353 F HA 0.471 4.998 4.527 -0.000 0.000 0.360 353 F C -0.138 175.673 175.800 0.019 0.000 1.122 353 F CA -0.471 57.538 58.000 0.015 0.000 1.090 353 F CB 0.952 39.964 39.000 0.018 0.000 1.150 353 F HN 0.152 nan 8.300 nan 0.000 0.472 354 L N 4.329 125.668 121.223 0.193 0.000 2.322 354 L HA 0.563 4.903 4.340 -0.000 0.000 0.279 354 L C -0.631 176.327 176.870 0.146 0.000 1.036 354 L CA -0.652 54.272 54.840 0.141 0.000 0.807 354 L CB 1.709 43.815 42.059 0.078 0.000 1.226 354 L HN 0.546 nan 8.230 nan 0.000 0.433 355 E N 0.598 120.869 120.200 0.118 0.000 2.290 355 E HA 0.351 4.701 4.350 -0.000 0.000 0.274 355 E C 0.012 176.654 176.600 0.070 0.000 0.889 355 E CA -0.515 55.940 56.400 0.092 0.000 0.760 355 E CB 2.320 32.071 29.700 0.085 0.000 1.206 355 E HN 0.699 nan 8.360 nan 0.000 0.419 356 A N 2.858 125.697 122.820 0.032 0.000 1.883 356 A HA -0.282 4.037 4.320 -0.000 0.000 0.217 356 A C 1.977 179.613 177.584 0.087 0.000 1.186 356 A CA 2.277 54.306 52.037 -0.014 0.000 0.624 356 A CB -0.500 18.533 19.000 0.055 0.000 0.822 356 A HN 0.863 nan 8.150 nan 0.000 0.444 357 E N 0.036 120.326 120.200 0.149 0.000 2.065 357 E HA -0.249 4.101 4.350 -0.000 0.000 0.201 357 E C 1.894 178.581 176.600 0.143 0.000 1.016 357 E CA 1.754 58.258 56.400 0.175 0.000 0.818 357 E CB -0.412 29.356 29.700 0.113 0.000 0.749 357 E HN 0.597 nan 8.360 nan 0.000 0.453 358 L N -0.344 120.939 121.223 0.100 0.000 2.046 358 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 358 L C 2.580 179.478 176.870 0.048 0.000 1.077 358 L CA 1.380 56.264 54.840 0.074 0.000 0.747 358 L CB -0.503 41.597 42.059 0.068 0.000 0.896 358 L HN 0.251 nan 8.230 nan 0.000 0.432 359 F N -0.588 119.279 119.950 -0.138 0.000 2.202 359 F HA -0.296 4.231 4.527 -0.000 0.000 0.301 359 F C 2.008 177.636 175.800 -0.287 0.000 1.082 359 F CA 1.591 59.428 58.000 -0.271 0.000 1.313 359 F CB -0.032 38.694 39.000 -0.458 0.000 1.024 359 F HN 0.022 nan 8.300 nan 0.000 0.495 360 Y N -0.518 119.906 120.300 0.207 0.000 2.503 360 Y HA 0.117 4.667 4.550 -0.000 0.000 0.278 360 Y C 1.989 177.915 175.900 0.043 0.000 1.111 360 Y CA 0.319 58.499 58.100 0.132 0.000 1.270 360 Y CB -0.583 37.965 38.460 0.148 0.000 1.063 360 Y HN -0.108 nan 8.280 nan 0.000 0.548 361 K N -0.369 120.125 120.400 0.157 0.000 2.442 361 K HA 0.022 4.342 4.320 -0.000 0.000 0.198 361 K C 1.407 178.022 176.600 0.026 0.000 1.042 361 K CA 0.960 57.297 56.287 0.084 0.000 0.958 361 K CB -0.251 32.290 32.500 0.069 0.000 0.766 361 K HN 0.476 nan 8.250 nan 0.000 0.474 362 G N 1.080 109.859 108.800 -0.036 0.000 2.184 362 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 362 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 362 G C 0.176 174.996 174.900 -0.133 0.000 0.995 362 G CA -0.415 44.628 45.100 -0.095 0.000 0.651 362 G HN 0.205 nan 8.290 nan 0.000 0.511 363 I N 2.068 122.571 120.570 -0.112 0.000 2.278 363 I HA 0.319 4.489 4.170 -0.000 0.000 0.300 363 I C 0.654 176.683 176.117 -0.147 0.000 1.174 363 I CA 0.125 61.374 61.300 -0.085 0.000 1.347 363 I CB -0.030 37.960 38.000 -0.017 0.000 1.473 363 I HN 0.056 nan 8.210 nan 0.000 0.595 364 R N 6.713 127.104 120.500 -0.182 0.000 2.561 364 R HA 0.442 4.782 4.340 -0.000 0.000 0.297 364 R C -2.562 173.678 176.300 -0.099 0.000 0.969 364 R CA -1.871 54.105 56.100 -0.207 0.000 0.879 364 R CB 1.514 31.578 30.300 -0.393 0.000 1.178 364 R HN 0.179 nan 8.270 nan 0.000 0.445 365 P HA -0.097 nan 4.420 nan 0.000 0.264 365 P C -0.398 176.907 177.300 0.009 0.000 1.179 365 P CA 0.139 63.234 63.100 -0.008 0.000 0.763 365 P CB 0.612 32.316 31.700 0.007 0.000 0.806 366 A N 4.617 127.482 122.820 0.075 0.000 3.033 366 A HA 0.172 4.492 4.320 -0.000 0.000 0.250 366 A C 0.775 178.415 177.584 0.094 0.000 1.633 366 A CA -0.341 51.752 52.037 0.093 0.000 1.290 366 A CB -1.419 17.706 19.000 0.208 0.000 1.048 366 A HN 0.472 nan 8.150 nan 0.000 0.648 367 I N 1.258 121.871 120.570 0.072 0.000 2.471 367 I HA 0.010 4.180 4.170 -0.000 0.000 0.286 367 I C 0.516 176.689 176.117 0.093 0.000 1.079 367 I CA -0.341 61.012 61.300 0.088 0.000 1.398 367 I CB 0.601 38.642 38.000 0.069 0.000 1.403 367 I HN 0.384 nan 8.210 nan 0.000 0.530 368 N N 6.641 125.416 118.700 0.125 0.000 2.415 368 N HA 0.057 4.797 4.740 -0.000 0.000 0.250 368 N C 0.728 176.294 175.510 0.092 0.000 1.127 368 N CA 0.008 53.111 53.050 0.088 0.000 0.945 368 N CB 1.337 39.852 38.487 0.047 0.000 1.196 368 N HN 0.412 nan 8.380 nan 0.000 0.499 369 V N 3.525 123.484 119.914 0.075 0.000 2.407 369 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 369 V C 2.287 178.420 176.094 0.066 0.000 1.055 369 V CA 2.156 64.502 62.300 0.077 0.000 1.049 369 V CB -0.726 31.146 31.823 0.081 0.000 0.662 369 V HN 0.733 nan 8.190 nan 0.000 0.455 370 G N -0.498 108.326 108.800 0.040 0.000 2.421 370 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 370 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 370 G C 1.408 176.316 174.900 0.012 0.000 1.143 370 G CA 0.446 45.557 45.100 0.018 0.000 0.784 370 G HN 0.508 nan 8.290 nan 0.000 0.541 371 L N 0.892 122.112 121.223 -0.005 0.000 2.607 371 L HA 0.274 4.614 4.340 -0.000 0.000 0.228 371 L C 0.345 177.372 176.870 0.261 0.000 1.123 371 L CA -0.151 54.677 54.840 -0.021 0.000 0.890 371 L CB 0.557 42.352 42.059 -0.440 0.000 1.103 371 L HN -0.017 nan 8.230 nan 0.000 0.468 372 S N 0.335 116.165 115.700 0.217 0.000 2.451 372 S HA 0.631 5.101 4.470 -0.000 0.000 0.301 372 S C -0.379 174.299 174.600 0.130 0.000 1.116 372 S CA -0.557 57.778 58.200 0.225 0.000 1.093 372 S CB 2.284 65.588 63.200 0.174 0.000 1.017 372 S HN 0.055 nan 8.310 nan 0.000 0.482 373 V N 0.745 120.721 119.914 0.104 0.000 3.114 373 V HA 0.932 5.052 4.120 -0.000 0.000 0.308 373 V C -0.633 175.485 176.094 0.041 0.000 1.168 373 V CA -0.710 61.630 62.300 0.067 0.000 1.015 373 V CB 1.993 33.856 31.823 0.066 0.000 1.050 373 V HN 0.744 nan 8.190 nan 0.000 0.433 374 S N 2.328 118.046 115.700 0.030 0.000 2.482 374 S HA 0.601 5.071 4.470 -0.000 0.000 0.303 374 S C 0.330 174.942 174.600 0.020 0.000 1.091 374 S CA -0.806 57.404 58.200 0.017 0.000 1.057 374 S CB 1.786 64.991 63.200 0.009 0.000 1.031 374 S HN 0.879 nan 8.310 nan 0.000 0.485 375 R N 3.145 123.655 120.500 0.017 0.000 2.388 375 R HA 0.224 4.564 4.340 -0.000 0.000 0.247 375 R C 0.464 176.774 176.300 0.016 0.000 0.931 375 R CA 0.123 56.235 56.100 0.020 0.000 1.082 375 R CB 0.136 30.450 30.300 0.023 0.000 1.135 375 R HN 0.502 nan 8.270 nan 0.000 0.525 376 V N -0.514 119.407 119.914 0.011 0.000 3.621 376 V HA 0.171 4.291 4.120 -0.000 0.000 0.263 376 V C 1.369 177.470 176.094 0.011 0.000 1.272 376 V CA 0.806 63.112 62.300 0.009 0.000 1.080 376 V CB 0.407 32.230 31.823 0.000 0.000 0.816 376 V HN 0.624 nan 8.190 nan 0.000 0.451 377 G N 1.753 110.559 108.800 0.011 0.000 2.582 377 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.288 377 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.288 377 G C 1.144 176.049 174.900 0.009 0.000 1.247 377 G CA 0.930 46.038 45.100 0.013 0.000 0.972 377 G HN 0.849 nan 8.290 nan 0.000 0.557 378 S N 0.119 115.826 115.700 0.012 0.000 2.453 378 S HA 0.291 4.761 4.470 -0.000 0.000 0.231 378 S C 2.604 177.209 174.600 0.009 0.000 1.005 378 S CA 1.563 59.769 58.200 0.009 0.000 0.949 378 S CB -0.357 62.851 63.200 0.013 0.000 0.774 378 S HN 2.083 nan 8.310 nan 0.000 0.510 379 A N 1.469 124.297 122.820 0.014 0.000 2.093 379 A HA 0.202 4.522 4.320 -0.000 0.000 0.222 379 A C 2.075 179.667 177.584 0.013 0.000 1.162 379 A CA 1.570 53.622 52.037 0.025 0.000 0.655 379 A CB -0.883 18.136 19.000 0.032 0.000 0.805 379 A HN 0.963 nan 8.150 nan 0.000 0.461 380 A N -1.825 120.989 122.820 -0.011 0.000 2.503 380 A HA 0.422 4.742 4.320 -0.000 0.000 0.263 380 A C 0.580 178.132 177.584 -0.053 0.000 1.258 380 A CA 0.012 52.021 52.037 -0.045 0.000 0.936 380 A CB 0.004 18.976 19.000 -0.046 0.000 1.070 380 A HN 0.542 nan 8.150 nan 0.000 0.522 381 Q N 0.269 120.050 119.800 -0.031 0.000 2.274 381 Q HA 0.539 4.879 4.340 -0.000 0.000 0.260 381 Q C -0.913 175.071 176.000 -0.026 0.000 0.974 381 Q CA -0.599 55.189 55.803 -0.025 0.000 0.876 381 Q CB 1.926 30.660 28.738 -0.007 0.000 1.297 381 Q HN 0.148 nan 8.270 nan 0.000 0.446 382 V N 4.308 124.207 119.914 -0.026 0.000 2.617 382 V HA -0.113 4.007 4.120 -0.000 0.000 0.304 382 V C 1.350 177.442 176.094 -0.002 0.000 1.040 382 V CA 0.511 62.799 62.300 -0.019 0.000 1.149 382 V CB 0.770 32.590 31.823 -0.006 0.000 0.914 382 V HN 0.881 nan 8.190 nan 0.000 0.487 383 K N 5.205 125.605 120.400 -0.001 0.000 2.063 383 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 383 K C 2.044 178.653 176.600 0.016 0.000 1.048 383 K CA 1.981 58.273 56.287 0.008 0.000 0.928 383 K CB -0.426 32.079 32.500 0.009 0.000 0.713 383 K HN 0.821 nan 8.250 nan 0.000 0.442 384 A N 0.636 123.465 122.820 0.015 0.000 1.892 384 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 384 A C 2.110 179.714 177.584 0.034 0.000 1.188 384 A CA 1.795 53.845 52.037 0.022 0.000 0.631 384 A CB -0.812 18.198 19.000 0.016 0.000 0.822 384 A HN 0.373 nan 8.150 nan 0.000 0.447 385 L N -0.063 121.177 121.223 0.029 0.000 2.056 385 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 385 L C 2.333 179.221 176.870 0.030 0.000 1.078 385 L CA 2.527 57.387 54.840 0.033 0.000 0.749 385 L CB -0.689 41.385 42.059 0.025 0.000 0.901 385 L HN 0.520 nan 8.230 nan 0.000 0.433 386 K N -0.835 119.578 120.400 0.022 0.000 2.059 386 K HA -0.286 4.034 4.320 -0.000 0.000 0.212 386 K C 1.996 178.612 176.600 0.026 0.000 1.050 386 K CA 2.264 58.563 56.287 0.021 0.000 0.927 386 K CB -0.118 32.392 32.500 0.017 0.000 0.714 386 K HN 0.534 nan 8.250 nan 0.000 0.447 387 Q N -0.007 119.813 119.800 0.034 0.000 2.079 387 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 387 Q C 2.206 178.237 176.000 0.051 0.000 0.974 387 Q CA 1.759 57.587 55.803 0.042 0.000 0.840 387 Q CB -0.074 28.693 28.738 0.049 0.000 0.898 387 Q HN 0.381 nan 8.270 nan 0.000 0.430 388 V N -1.513 118.443 119.914 0.070 0.000 2.427 388 V HA 0.057 4.176 4.120 -0.000 0.000 0.248 388 V C 1.136 177.239 176.094 0.014 0.000 1.051 388 V CA 1.080 63.427 62.300 0.079 0.000 1.048 388 V CB -0.777 31.134 31.823 0.148 0.000 0.666 388 V HN 0.196 nan 8.190 nan 0.000 0.456 389 A N 0.926 123.754 122.820 0.013 0.000 2.736 389 A HA 0.749 5.069 4.320 -0.000 0.000 0.335 389 A C 1.085 178.669 177.584 -0.000 0.000 1.446 389 A CA 0.230 52.262 52.037 -0.008 0.000 1.028 389 A CB 0.075 19.075 19.000 0.001 0.000 1.154 389 A HN 0.462 nan 8.150 nan 0.000 0.507 390 G N 1.153 109.947 108.800 -0.010 0.000 2.561 390 G HA2 0.104 4.064 3.960 -0.000 0.000 0.208 390 G HA3 0.104 4.064 3.960 -0.000 0.000 0.208 390 G C 1.097 176.008 174.900 0.017 0.000 1.510 390 G CA 0.895 45.997 45.100 0.004 0.000 0.941 390 G HN 1.234 nan 8.290 nan 0.000 0.478 391 S N 0.551 116.267 115.700 0.026 0.000 3.266 391 S HA 0.298 4.768 4.470 -0.000 0.000 0.209 391 S C 1.375 176.027 174.600 0.087 0.000 1.409 391 S CA -0.439 57.797 58.200 0.060 0.000 1.179 391 S CB 0.633 63.878 63.200 0.076 0.000 1.218 391 S HN 0.262 nan 8.310 nan 0.000 0.514 392 L N 1.691 122.939 121.223 0.041 0.000 2.005 392 L HA 0.166 4.506 4.340 -0.000 0.000 0.207 392 L C 2.413 179.355 176.870 0.120 0.000 1.072 392 L CA 1.978 56.837 54.840 0.032 0.000 0.744 392 L CB -0.823 41.224 42.059 -0.020 0.000 0.895 392 L HN 0.476 nan 8.230 nan 0.000 0.433 393 K N -0.199 120.254 120.400 0.087 0.000 2.020 393 K HA -0.204 4.116 4.320 -0.000 0.000 0.212 393 K C 2.046 178.713 176.600 0.113 0.000 1.050 393 K CA 2.277 58.619 56.287 0.092 0.000 0.929 393 K CB -0.763 31.775 32.500 0.064 0.000 0.714 393 K HN 0.397 nan 8.250 nan 0.000 0.443 394 L N -0.251 121.036 121.223 0.107 0.000 2.156 394 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 394 L C 2.214 179.157 176.870 0.121 0.000 1.095 394 L CA 0.928 55.824 54.840 0.093 0.000 0.770 394 L CB -0.416 41.685 42.059 0.069 0.000 0.914 394 L HN 0.229 nan 8.230 nan 0.000 0.439 395 F N 0.722 120.685 119.950 0.021 0.000 2.095 395 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 395 F C 2.059 177.898 175.800 0.066 0.000 1.104 395 F CA 1.731 59.748 58.000 0.027 0.000 1.232 395 F CB -0.286 38.714 39.000 0.000 0.000 0.987 395 F HN -0.112 nan 8.300 nan 0.000 0.475 396 L N -0.001 121.411 121.223 0.315 0.000 2.265 396 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 396 L C 2.708 179.652 176.870 0.123 0.000 1.117 396 L CA 0.862 55.860 54.840 0.263 0.000 0.782 396 L CB -1.085 41.140 42.059 0.276 0.000 0.914 396 L HN 0.327 nan 8.230 nan 0.000 0.441 397 A N -0.482 122.366 122.820 0.046 0.000 1.841 397 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 397 A C 2.147 179.687 177.584 -0.073 0.000 1.195 397 A CA 1.059 53.094 52.037 -0.004 0.000 0.611 397 A CB -0.410 18.590 19.000 0.001 0.000 0.835 397 A HN 0.375 nan 8.150 nan 0.000 0.443 398 Q N -1.678 118.047 119.800 -0.124 0.000 2.515 398 Q HA -0.186 4.154 4.340 -0.000 0.000 0.215 398 Q C 1.567 177.407 176.000 -0.267 0.000 0.983 398 Q CA 1.391 57.079 55.803 -0.192 0.000 0.905 398 Q CB -0.350 28.265 28.738 -0.206 0.000 0.961 398 Q HN 0.906 nan 8.270 nan 0.000 0.503 399 Y N 0.721 120.771 120.300 -0.416 0.000 2.230 399 Y HA 0.040 4.590 4.550 -0.000 0.000 0.294 399 Y C 2.260 178.065 175.900 -0.159 0.000 1.120 399 Y CA 0.957 58.851 58.100 -0.344 0.000 1.129 399 Y CB -0.108 38.163 38.460 -0.314 0.000 1.040 399 Y HN -0.145 nan 8.280 nan 0.000 0.519 400 R N 0.565 120.864 120.500 -0.334 0.000 2.237 400 R HA -0.154 4.186 4.340 -0.000 0.000 0.219 400 R C 1.942 178.086 176.300 -0.259 0.000 1.080 400 R CA 1.307 57.187 56.100 -0.367 0.000 0.995 400 R CB -0.084 30.130 30.300 -0.144 0.000 0.875 400 R HN 0.505 nan 8.270 nan 0.000 0.462 401 E N -0.306 119.773 120.200 -0.202 0.000 2.072 401 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 401 E C 1.560 178.061 176.600 -0.165 0.000 0.982 401 E CA 1.319 57.629 56.400 -0.150 0.000 0.803 401 E CB 0.045 29.676 29.700 -0.115 0.000 0.755 401 E HN 0.097 nan 8.360 nan 0.000 0.453 402 V N 0.715 120.502 119.914 -0.211 0.000 2.649 402 V HA 0.012 4.132 4.120 -0.000 0.000 0.248 402 V C 2.331 178.296 176.094 -0.215 0.000 1.054 402 V CA 1.252 63.444 62.300 -0.178 0.000 1.073 402 V CB -0.474 31.266 31.823 -0.139 0.000 0.699 402 V HN 0.456 nan 8.190 nan 0.000 0.463 403 A N 0.131 122.728 122.820 -0.371 0.000 2.019 403 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 403 A C 2.299 179.763 177.584 -0.200 0.000 1.164 403 A CA 2.054 53.880 52.037 -0.351 0.000 0.644 403 A CB -0.413 18.232 19.000 -0.593 0.000 0.805 403 A HN 0.550 nan 8.150 nan 0.000 0.449 404 A N -1.304 121.410 122.820 -0.178 0.000 1.956 404 A HA 0.166 4.486 4.320 -0.000 0.000 0.212 404 A C 2.105 179.638 177.584 -0.086 0.000 1.188 404 A CA 1.289 53.256 52.037 -0.116 0.000 0.675 404 A CB -0.337 18.599 19.000 -0.107 0.000 0.845 404 A HN 0.371 nan 8.150 nan 0.000 0.455 405 S N 0.338 115.985 115.700 -0.088 0.000 2.603 405 S HA 0.260 4.730 4.470 -0.000 0.000 0.220 405 S C 1.745 176.312 174.600 -0.055 0.000 0.967 405 S CA 0.485 58.646 58.200 -0.065 0.000 0.920 405 S CB -0.018 63.145 63.200 -0.062 0.000 0.773 405 S HN 0.692 nan 8.310 nan 0.000 0.529 406 A N 0.989 123.773 122.820 -0.061 0.000 2.066 406 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 406 A C 1.429 178.992 177.584 -0.034 0.000 1.157 406 A CA 0.639 52.648 52.037 -0.047 0.000 0.670 406 A CB -0.046 18.924 19.000 -0.051 0.000 0.804 406 A HN 0.373 nan 8.150 nan 0.000 0.453 411 D N 1.463 121.857 120.400 -0.010 0.000 2.788 411 D HA 0.567 5.207 4.640 -0.000 0.000 0.247 411 D C -1.183 175.112 176.300 -0.009 0.000 1.236 411 D CA -0.337 53.658 54.000 -0.008 0.000 0.898 411 D CB 0.818 41.614 40.800 -0.007 0.000 1.401 411 D HN 0.518 nan 8.370 nan 0.000 0.549 412 L N 2.187 123.406 121.223 -0.008 0.000 2.325 412 L HA 0.312 4.652 4.340 -0.000 0.000 0.281 412 L C 0.830 177.697 176.870 -0.005 0.000 1.004 412 L CA -1.103 53.732 54.840 -0.008 0.000 0.823 412 L CB 1.639 43.693 42.059 -0.009 0.000 1.236 412 L HN 0.401 nan 8.230 nan 0.000 0.415 413 D N 2.679 123.076 120.400 -0.006 0.000 2.335 413 D HA -0.021 4.619 4.640 -0.000 0.000 0.236 413 D C 1.064 177.363 176.300 -0.002 0.000 1.297 413 D CA 0.135 54.133 54.000 -0.004 0.000 0.906 413 D CB 1.423 42.220 40.800 -0.006 0.000 1.164 413 D HN 0.562 nan 8.370 nan 0.000 0.469 414 A N 1.031 123.850 122.820 -0.001 0.000 1.883 414 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 414 A C 2.399 179.985 177.584 0.003 0.000 1.186 414 A CA 2.864 54.901 52.037 -0.000 0.000 0.624 414 A CB -1.016 17.983 19.000 -0.002 0.000 0.822 414 A HN 0.703 nan 8.150 nan 0.000 0.444 415 S N -1.808 113.894 115.700 0.003 0.000 2.371 415 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 415 S C 1.952 176.560 174.600 0.013 0.000 1.029 415 S CA 1.672 59.877 58.200 0.008 0.000 0.978 415 S CB -1.098 62.106 63.200 0.006 0.000 0.833 415 S HN 0.502 nan 8.310 nan 0.000 0.466 416 T N 1.284 115.841 114.554 0.005 0.000 2.915 416 T HA 0.010 4.360 4.350 -0.000 0.000 0.269 416 T C 1.711 176.420 174.700 0.015 0.000 1.071 416 T CA 1.420 63.521 62.100 0.002 0.000 1.132 416 T CB -0.329 68.533 68.868 -0.010 0.000 0.878 416 T HN 0.515 nan 8.240 nan 0.000 0.479 417 K N -0.134 120.276 120.400 0.015 0.000 2.228 417 K HA 0.060 4.380 4.320 -0.000 0.000 0.202 417 K C 2.391 179.012 176.600 0.035 0.000 1.051 417 K CA 0.750 57.050 56.287 0.022 0.000 0.960 417 K CB 0.069 32.576 32.500 0.013 0.000 0.743 417 K HN 0.375 nan 8.250 nan 0.000 0.458 418 Q N -0.654 119.165 119.800 0.032 0.000 2.083 418 Q HA -0.119 4.221 4.340 -0.000 0.000 0.198 418 Q C 1.976 178.023 176.000 0.078 0.000 0.969 418 Q CA 1.776 57.602 55.803 0.037 0.000 0.838 418 Q CB 0.030 28.781 28.738 0.022 0.000 0.900 418 Q HN 0.251 nan 8.270 nan 0.000 0.436 419 T N 0.271 114.881 114.554 0.093 0.000 2.881 419 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 419 T C 1.625 176.448 174.700 0.206 0.000 1.068 419 T CA 0.768 62.959 62.100 0.153 0.000 1.131 419 T CB -0.039 68.864 68.868 0.057 0.000 0.871 419 T HN 0.284 nan 8.240 nan 0.000 0.479 420 L N 0.129 121.454 121.223 0.170 0.000 2.162 420 L HA 0.186 4.526 4.340 -0.000 0.000 0.205 420 L C 2.458 179.452 176.870 0.207 0.000 1.086 420 L CA 0.718 55.714 54.840 0.259 0.000 0.778 420 L CB -0.246 41.898 42.059 0.141 0.000 0.928 420 L HN 0.063 nan 8.230 nan 0.000 0.446 421 V N 0.452 120.431 119.914 0.109 0.000 2.343 421 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 421 V C 2.792 178.894 176.094 0.013 0.000 1.051 421 V CA 2.258 64.589 62.300 0.051 0.000 1.036 421 V CB -0.585 31.251 31.823 0.021 0.000 0.654 421 V HN 0.494 nan 8.190 nan 0.000 0.451 422 R N -0.285 120.231 120.500 0.028 0.000 2.057 422 R HA -0.083 4.257 4.340 -0.000 0.000 0.229 422 R C 2.419 178.654 176.300 -0.109 0.000 1.136 422 R CA 1.477 57.551 56.100 -0.044 0.000 0.952 422 R CB -0.865 29.409 30.300 -0.044 0.000 0.848 422 R HN 0.534 nan 8.270 nan 0.000 0.430 423 G N 0.665 109.430 108.800 -0.059 0.000 2.547 423 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.221 423 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.221 423 G C 1.258 175.706 174.900 -0.753 0.000 1.140 423 G CA 1.263 45.989 45.100 -0.623 0.000 0.760 423 G HN 0.471 nan 8.290 nan 0.000 0.583 424 E N -0.392 119.581 120.200 -0.378 0.000 2.204 424 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 424 E C 2.711 179.244 176.600 -0.112 0.000 0.989 424 E CA 0.572 56.902 56.400 -0.116 0.000 0.824 424 E CB 0.074 29.800 29.700 0.044 0.000 0.756 424 E HN 0.312 nan 8.360 nan 0.000 0.477 425 R N -0.394 120.021 120.500 -0.140 0.000 2.093 425 R HA 0.055 4.395 4.340 -0.000 0.000 0.224 425 R C 2.193 178.398 176.300 -0.157 0.000 1.101 425 R CA 0.594 56.609 56.100 -0.142 0.000 0.979 425 R CB -0.142 30.060 30.300 -0.163 0.000 0.877 425 R HN 0.162 nan 8.270 nan 0.000 0.441 426 L N -0.347 120.760 121.223 -0.194 0.000 2.046 426 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 426 L C 2.058 178.858 176.870 -0.116 0.000 1.077 426 L CA 1.503 56.237 54.840 -0.176 0.000 0.747 426 L CB -0.607 41.314 42.059 -0.230 0.000 0.896 426 L HN 0.248 nan 8.230 nan 0.000 0.432 427 T N -1.062 113.418 114.554 -0.123 0.000 2.595 427 T HA -0.326 4.024 4.350 -0.000 0.000 0.264 427 T C 1.793 176.473 174.700 -0.033 0.000 1.058 427 T CA 1.897 63.966 62.100 -0.052 0.000 1.166 427 T CB -0.244 68.612 68.868 -0.019 0.000 0.863 427 T HN 0.242 nan 8.240 nan 0.000 0.415 428 Q N 0.511 120.287 119.800 -0.040 0.000 2.234 428 Q HA -0.066 4.274 4.340 -0.000 0.000 0.206 428 Q C 1.962 177.947 176.000 -0.025 0.000 0.980 428 Q CA 1.229 57.015 55.803 -0.028 0.000 0.869 428 Q CB -0.618 28.102 28.738 -0.030 0.000 0.912 428 Q HN 0.451 nan 8.270 nan 0.000 0.436 429 L N -0.715 120.484 121.223 -0.040 0.000 2.240 429 L HA 0.073 4.413 4.340 -0.000 0.000 0.211 429 L C 1.628 178.496 176.870 -0.003 0.000 1.106 429 L CA 1.155 55.983 54.840 -0.021 0.000 0.793 429 L CB -0.060 41.972 42.059 -0.046 0.000 0.927 429 L HN 0.332 nan 8.230 nan 0.000 0.446 430 L N -0.900 120.315 121.223 -0.012 0.000 2.478 430 L HA -0.039 4.301 4.340 -0.000 0.000 0.223 430 L C 1.089 177.957 176.870 -0.003 0.000 1.140 430 L CA 0.136 54.975 54.840 -0.002 0.000 0.842 430 L CB -0.471 41.589 42.059 0.000 0.000 0.953 430 L HN 0.117 nan 8.230 nan 0.000 0.452 431 K N 0.925 121.320 120.400 -0.009 0.000 2.397 431 K HA 0.158 4.478 4.320 -0.000 0.000 0.265 431 K C -0.099 176.494 176.600 -0.012 0.000 0.982 431 K CA 0.453 56.727 56.287 -0.020 0.000 0.931 431 K CB 0.475 32.960 32.500 -0.024 0.000 0.943 431 K HN 0.003 nan 8.250 nan 0.000 0.501 432 Q N 0.762 120.547 119.800 -0.025 0.000 2.617 432 Q HA 0.151 4.491 4.340 -0.000 0.000 0.270 432 Q C -1.695 174.287 176.000 -0.029 0.000 0.967 432 Q CA -0.717 55.078 55.803 -0.014 0.000 0.887 432 Q CB 1.477 30.208 28.738 -0.011 0.000 1.516 432 Q HN 0.496 nan 8.270 nan 0.000 0.395 433 N N 1.779 120.473 118.700 -0.009 0.000 2.515 433 N HA 0.176 4.916 4.740 -0.000 0.000 0.279 433 N C -0.760 174.734 175.510 -0.026 0.000 1.164 433 N CA -0.287 52.759 53.050 -0.006 0.000 0.982 433 N CB 1.195 39.701 38.487 0.032 0.000 1.170 433 N HN 0.521 nan 8.380 nan 0.000 0.474 434 Q N 0.288 120.051 119.800 -0.062 0.000 2.492 434 Q HA -0.020 4.320 4.340 -0.000 0.000 0.238 434 Q C -0.360 175.575 176.000 -0.107 0.000 1.045 434 Q CA 0.054 55.722 55.803 -0.225 0.000 0.934 434 Q CB 0.220 28.696 28.738 -0.437 0.000 1.276 434 Q HN 0.594 nan 8.270 nan 0.000 0.521 435 Y N -0.762 119.517 120.300 -0.035 0.000 4.079 435 Y HA -0.270 4.280 4.550 -0.000 0.000 0.223 435 Y C -0.241 175.651 175.900 -0.013 0.000 1.155 435 Y CA 0.945 59.004 58.100 -0.069 0.000 1.805 435 Y CB -2.299 36.129 38.460 -0.053 0.000 1.571 435 Y HN 0.403 nan 8.280 nan 0.000 0.654 436 S N -1.048 114.700 115.700 0.080 0.000 2.407 436 S HA 0.335 4.805 4.470 -0.000 0.000 0.166 436 S C -2.438 172.182 174.600 0.033 0.000 1.445 436 S CA -0.936 57.306 58.200 0.070 0.000 1.260 436 S CB 1.457 64.699 63.200 0.070 0.000 1.401 436 S HN 0.114 nan 8.310 nan 0.000 0.379 437 P HA 0.484 nan 4.420 nan 0.000 0.276 437 P C -0.769 176.539 177.300 0.014 0.000 1.244 437 P CA -0.559 62.551 63.100 0.017 0.000 0.801 437 P CB 0.978 32.690 31.700 0.019 0.000 1.006 438 L N 0.714 121.947 121.223 0.016 0.000 2.346 438 L HA 0.625 4.965 4.340 -0.000 0.000 0.274 438 L C 0.701 177.578 176.870 0.011 0.000 1.007 438 L CA -1.294 53.551 54.840 0.008 0.000 0.818 438 L CB 1.715 43.784 42.059 0.017 0.000 1.284 438 L HN 0.386 nan 8.230 nan 0.000 0.424 439 A N 1.289 124.101 122.820 -0.013 0.000 2.466 439 A HA 0.236 4.556 4.320 -0.000 0.000 0.238 439 A C 1.217 178.815 177.584 0.023 0.000 1.074 439 A CA 0.002 52.035 52.037 -0.006 0.000 0.774 439 A CB 0.223 19.191 19.000 -0.054 0.000 1.015 439 A HN 0.884 nan 8.150 nan 0.000 0.498 440 T N 0.915 115.502 114.554 0.056 0.000 2.759 440 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 440 T C 1.775 176.487 174.700 0.020 0.000 1.042 440 T CA 1.815 63.944 62.100 0.047 0.000 1.140 440 T CB -0.192 68.713 68.868 0.062 0.000 0.864 440 T HN 0.887 nan 8.240 nan 0.000 0.455 441 E N 1.909 122.110 120.200 0.002 0.000 2.208 441 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 441 E C 1.626 178.198 176.600 -0.046 0.000 0.988 441 E CA 1.077 57.461 56.400 -0.027 0.000 0.828 441 E CB -0.302 29.372 29.700 -0.042 0.000 0.763 441 E HN 0.588 nan 8.360 nan 0.000 0.478 442 E N 0.742 120.918 120.200 -0.040 0.000 2.152 442 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 442 E C 2.263 178.865 176.600 0.003 0.000 0.983 442 E CA 0.724 57.098 56.400 -0.043 0.000 0.818 442 E CB -0.007 29.669 29.700 -0.039 0.000 0.758 442 E HN 0.382 nan 8.360 nan 0.000 0.467 443 Q N 0.389 120.202 119.800 0.021 0.000 2.046 443 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 443 Q C 2.412 178.451 176.000 0.065 0.000 0.975 443 Q CA 1.053 56.884 55.803 0.047 0.000 0.836 443 Q CB 0.059 28.822 28.738 0.041 0.000 0.896 443 Q HN 0.128 nan 8.270 nan 0.000 0.428 444 V N 1.489 121.434 119.914 0.051 0.000 2.332 444 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 444 V C -0.938 175.227 176.094 0.119 0.000 1.055 444 V CA 2.039 64.381 62.300 0.069 0.000 1.038 444 V CB -1.313 30.533 31.823 0.039 0.000 0.651 444 V HN 0.296 nan 8.190 nan 0.000 0.450 445 P HA -0.059 nan 4.420 nan 0.000 0.218 445 P C 1.892 179.427 177.300 0.392 0.000 1.152 445 P CA 1.146 64.367 63.100 0.203 0.000 0.826 445 P CB -0.032 31.695 31.700 0.045 0.000 0.790 446 L N -1.120 120.297 121.223 0.324 0.000 2.083 446 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 446 L C 2.203 179.185 176.870 0.187 0.000 1.083 446 L CA 1.199 56.228 54.840 0.315 0.000 0.752 446 L CB -0.903 41.297 42.059 0.234 0.000 0.899 446 L HN -0.040 nan 8.230 nan 0.000 0.433 447 I N -1.044 119.615 120.570 0.148 0.000 2.315 447 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 447 I C 2.470 178.647 176.117 0.100 0.000 1.117 447 I CA 1.514 62.866 61.300 0.085 0.000 1.404 447 I CB -1.022 37.017 38.000 0.064 0.000 1.071 447 I HN 0.247 nan 8.210 nan 0.000 0.419 448 Y N 2.146 122.484 120.300 0.062 0.000 2.114 448 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 448 Y C 2.683 178.630 175.900 0.078 0.000 1.143 448 Y CA 2.237 60.376 58.100 0.065 0.000 1.135 448 Y CB -0.238 38.271 38.460 0.082 0.000 0.980 448 Y HN 0.120 nan 8.280 nan 0.000 0.499 449 A N 0.014 122.997 122.820 0.272 0.000 1.940 449 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 449 A C 2.415 179.991 177.584 -0.013 0.000 1.176 449 A CA 1.912 54.038 52.037 0.149 0.000 0.631 449 A CB -1.712 17.314 19.000 0.043 0.000 0.814 449 A HN 0.630 nan 8.150 nan 0.000 0.446 450 G N -0.790 107.965 108.800 -0.074 0.000 2.404 450 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.214 450 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.214 450 G C 1.479 176.244 174.900 -0.225 0.000 1.189 450 G CA 1.177 46.179 45.100 -0.163 0.000 0.789 450 G HN 0.332 nan 8.290 nan 0.000 0.533 451 V N 1.634 121.413 119.914 -0.225 0.000 2.515 451 V HA -0.088 4.032 4.120 -0.000 0.000 0.250 451 V C 1.785 177.707 176.094 -0.287 0.000 1.058 451 V CA 1.417 63.544 62.300 -0.288 0.000 1.064 451 V CB -0.347 31.335 31.823 -0.235 0.000 0.675 451 V HN 0.329 nan 8.190 nan 0.000 0.461 452 N N 0.244 118.770 118.700 -0.290 0.000 2.276 452 N HA 0.162 4.902 4.740 -0.000 0.000 0.212 452 N C 1.391 176.717 175.510 -0.308 0.000 1.127 452 N CA 0.896 53.772 53.050 -0.290 0.000 0.834 452 N CB 0.884 39.130 38.487 -0.402 0.000 1.014 452 N HN 0.564 nan 8.380 nan 0.000 0.491 453 G N 0.760 109.401 108.800 -0.266 0.000 2.176 453 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 453 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 453 G C 0.411 175.118 174.900 -0.323 0.000 1.024 453 G CA 0.301 45.233 45.100 -0.281 0.000 0.755 453 G HN 0.524 nan 8.290 nan 0.000 0.507 454 H N -0.934 118.053 119.070 -0.138 0.000 2.548 454 H HA 0.388 4.944 4.556 -0.000 0.000 0.265 454 H C 2.452 177.673 175.328 -0.177 0.000 0.969 454 H CA 1.007 56.991 56.048 -0.107 0.000 1.155 454 H CB 0.229 29.966 29.762 -0.042 0.000 1.394 454 H HN 0.470 nan 8.280 nan 0.000 0.570 455 L N -0.433 120.687 121.223 -0.172 0.000 2.616 455 L HA 0.053 4.393 4.340 -0.000 0.000 0.229 455 L C 1.189 177.946 176.870 -0.187 0.000 1.110 455 L CA 0.001 54.673 54.840 -0.279 0.000 0.884 455 L CB 0.330 42.151 42.059 -0.397 0.000 1.115 455 L HN 0.084 nan 8.230 nan 0.000 0.481 456 D N 1.336 121.644 120.400 -0.155 0.000 2.190 456 D HA -0.155 4.485 4.640 -0.000 0.000 0.200 456 D C 1.761 178.008 176.300 -0.088 0.000 0.992 456 D CA 1.569 55.498 54.000 -0.119 0.000 0.854 456 D CB -0.059 40.671 40.800 -0.118 0.000 0.936 456 D HN 0.323 nan 8.370 nan 0.000 0.462 457 G N -0.401 108.350 108.800 -0.082 0.000 3.959 457 G HA2 0.408 4.368 3.960 -0.000 0.000 0.298 457 G HA3 0.408 4.368 3.960 -0.000 0.000 0.298 457 G C 0.025 174.894 174.900 -0.053 0.000 1.211 457 G CA -0.302 44.764 45.100 -0.057 0.000 1.001 457 G HN 0.109 nan 8.290 nan 0.000 0.561 458 I N 0.071 120.598 120.570 -0.071 0.000 2.433 458 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 458 I C 0.190 176.278 176.117 -0.047 0.000 1.001 458 I CA -0.870 60.395 61.300 -0.060 0.000 1.119 458 I CB 2.451 40.392 38.000 -0.097 0.000 1.289 458 I HN 0.062 nan 8.210 nan 0.000 0.438 459 E N 3.680 123.866 120.200 -0.023 0.000 2.652 459 E HA -0.116 4.234 4.350 -0.000 0.000 0.255 459 E C 0.806 177.398 176.600 -0.014 0.000 0.952 459 E CA -0.062 56.330 56.400 -0.013 0.000 0.947 459 E CB 0.751 30.449 29.700 -0.002 0.000 0.912 459 E HN 0.463 nan 8.360 nan 0.000 0.489 460 L N 4.229 125.445 121.223 -0.012 0.000 2.187 460 L HA -0.185 4.155 4.340 -0.000 0.000 0.213 460 L C 1.900 178.768 176.870 -0.005 0.000 1.100 460 L CA 2.202 57.033 54.840 -0.014 0.000 0.765 460 L CB -0.227 41.829 42.059 -0.005 0.000 0.904 460 L HN 0.580 nan 8.230 nan 0.000 0.437 461 S N -2.354 113.350 115.700 0.006 0.000 2.634 461 S HA 0.132 4.602 4.470 -0.000 0.000 0.221 461 S C 1.592 176.209 174.600 0.029 0.000 0.952 461 S CA -0.307 57.902 58.200 0.016 0.000 0.930 461 S CB -0.224 62.987 63.200 0.017 0.000 0.780 461 S HN 0.458 nan 8.310 nan 0.000 0.498 462 R N 0.086 120.605 120.500 0.032 0.000 2.437 462 R HA 0.421 4.761 4.340 -0.000 0.000 0.257 462 R C 0.942 177.307 176.300 0.108 0.000 0.927 462 R CA -0.121 56.018 56.100 0.065 0.000 1.078 462 R CB 0.142 30.479 30.300 0.062 0.000 1.161 462 R HN 0.369 nan 8.270 nan 0.000 0.529 463 I N -0.138 120.465 120.570 0.055 0.000 2.493 463 I HA -0.083 4.087 4.170 -0.000 0.000 0.254 463 I C 2.164 178.367 176.117 0.143 0.000 1.160 463 I CA 1.293 62.621 61.300 0.047 0.000 1.445 463 I CB -1.047 36.918 38.000 -0.058 0.000 1.086 463 I HN 0.220 nan 8.210 nan 0.000 0.433 464 G N 1.988 110.852 108.800 0.106 0.000 2.433 464 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.216 464 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.216 464 G C 1.499 176.486 174.900 0.145 0.000 1.186 464 G CA 0.979 46.143 45.100 0.108 0.000 0.779 464 G HN 0.612 nan 8.290 nan 0.000 0.543 465 E N -0.744 119.545 120.200 0.148 0.000 2.208 465 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 465 E C 2.026 178.754 176.600 0.213 0.000 0.988 465 E CA 0.401 56.889 56.400 0.147 0.000 0.828 465 E CB -0.430 29.335 29.700 0.109 0.000 0.763 465 E HN 0.351 nan 8.360 nan 0.000 0.478 466 F N 2.351 122.369 119.950 0.113 0.000 2.026 466 F HA -0.190 4.337 4.527 -0.000 0.000 0.296 466 F C 2.332 178.270 175.800 0.229 0.000 1.133 466 F CA 2.304 60.411 58.000 0.178 0.000 1.188 466 F CB -0.468 38.589 39.000 0.095 0.000 0.968 466 F HN 0.106 nan 8.300 nan 0.000 0.476 467 E N 0.066 120.594 120.200 0.547 0.000 2.108 467 E HA -0.303 4.046 4.350 -0.000 0.000 0.203 467 E C 2.120 178.857 176.600 0.227 0.000 1.022 467 E CA 2.433 59.086 56.400 0.423 0.000 0.823 467 E CB -0.341 29.526 29.700 0.278 0.000 0.744 467 E HN 0.565 nan 8.360 nan 0.000 0.456 468 S N -0.372 115.420 115.700 0.153 0.000 2.395 468 S HA -0.034 4.436 4.470 -0.000 0.000 0.225 468 S C 2.224 176.850 174.600 0.043 0.000 1.027 468 S CA 0.948 59.196 58.200 0.079 0.000 0.965 468 S CB -0.026 63.217 63.200 0.072 0.000 0.812 468 S HN 0.146 nan 8.310 nan 0.000 0.482 469 S N 1.592 117.336 115.700 0.074 0.000 2.368 469 S HA 0.045 4.515 4.470 -0.000 0.000 0.224 469 S C 1.407 175.924 174.600 -0.138 0.000 1.029 469 S CA 1.054 59.303 58.200 0.082 0.000 0.988 469 S CB -0.597 62.754 63.200 0.252 0.000 0.838 469 S HN 0.516 nan 8.310 nan 0.000 0.462 470 F N 2.479 122.123 119.950 -0.510 0.000 2.126 470 F HA -0.050 4.477 4.527 -0.000 0.000 0.299 470 F C 1.791 177.297 175.800 -0.490 0.000 1.096 470 F CA 1.058 58.480 58.000 -0.962 0.000 1.255 470 F CB -0.652 37.942 39.000 -0.676 0.000 0.997 470 F HN 0.108 nan 8.300 nan 0.000 0.479 471 L N -0.973 120.073 121.223 -0.295 0.000 2.093 471 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 471 L C 2.515 179.234 176.870 -0.252 0.000 1.085 471 L CA 1.287 55.944 54.840 -0.305 0.000 0.755 471 L CB -0.916 41.061 42.059 -0.138 0.000 0.904 471 L HN 0.045 nan 8.230 nan 0.000 0.435 472 S N -0.721 114.880 115.700 -0.164 0.000 2.353 472 S HA -0.271 4.199 4.470 -0.000 0.000 0.222 472 S C 1.860 176.387 174.600 -0.122 0.000 1.035 472 S CA 1.682 59.820 58.200 -0.104 0.000 1.025 472 S CB -0.517 62.664 63.200 -0.032 0.000 0.902 472 S HN 0.428 nan 8.310 nan 0.000 0.440 473 Y N 2.278 122.395 120.300 -0.304 0.000 2.114 473 Y HA -0.096 4.454 4.550 -0.000 0.000 0.284 473 Y C 1.939 177.685 175.900 -0.257 0.000 1.143 473 Y CA 1.285 59.216 58.100 -0.280 0.000 1.135 473 Y CB -0.633 37.552 38.460 -0.459 0.000 0.980 473 Y HN 0.126 nan 8.280 nan 0.000 0.499 474 L N 0.295 121.212 121.223 -0.510 0.000 2.079 474 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 474 L C 2.414 179.078 176.870 -0.344 0.000 1.081 474 L CA 1.806 56.350 54.840 -0.493 0.000 0.752 474 L CB -0.517 41.185 42.059 -0.596 0.000 0.896 474 L HN 0.190 nan 8.230 nan 0.000 0.433 475 K N -0.891 119.337 120.400 -0.285 0.000 2.217 475 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 475 K C 2.186 178.666 176.600 -0.199 0.000 1.051 475 K CA 1.224 57.388 56.287 -0.205 0.000 0.952 475 K CB 0.064 32.470 32.500 -0.157 0.000 0.736 475 K HN 0.221 nan 8.250 nan 0.000 0.453 476 S N 1.121 116.681 115.700 -0.235 0.000 2.355 476 S HA -0.008 4.462 4.470 -0.000 0.000 0.216 476 S C 1.392 175.820 174.600 -0.286 0.000 1.037 476 S CA 0.925 59.001 58.200 -0.206 0.000 0.955 476 S CB -0.102 63.014 63.200 -0.140 0.000 0.877 476 S HN 0.309 nan 8.310 nan 0.000 0.488 477 N N 0.664 119.080 118.700 -0.473 0.000 2.424 477 N HA 0.060 4.800 4.740 -0.000 0.000 0.178 477 N C 0.119 175.105 175.510 -0.874 0.000 1.060 477 N CA 0.680 53.341 53.050 -0.648 0.000 0.901 477 N CB 0.141 38.148 38.487 -0.800 0.000 0.979 477 N HN 0.407 nan 8.380 nan 0.000 0.451 478 H N -0.827 118.010 119.070 -0.388 0.000 2.676 478 H HA 0.229 4.785 4.556 -0.000 0.000 0.238 478 H C 0.315 175.499 175.328 -0.240 0.000 1.276 478 H CA -0.232 55.642 56.048 -0.289 0.000 0.983 478 H CB 0.040 29.614 29.762 -0.314 0.000 2.000 478 H HN 0.271 nan 8.280 nan 0.000 0.584 479 N N 1.268 119.877 118.700 -0.150 0.000 2.223 479 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 479 N C 1.165 176.620 175.510 -0.090 0.000 1.016 479 N CA 0.783 53.759 53.050 -0.123 0.000 0.863 479 N CB 0.455 38.868 38.487 -0.123 0.000 0.983 479 N HN 0.528 nan 8.380 nan 0.000 0.429 480 E N 0.616 120.768 120.200 -0.079 0.000 2.097 480 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 480 E C 1.966 178.536 176.600 -0.051 0.000 1.000 480 E CA 0.699 57.065 56.400 -0.057 0.000 0.804 480 E CB -0.023 29.649 29.700 -0.047 0.000 0.740 480 E HN 0.306 nan 8.360 nan 0.000 0.454 481 L N 0.870 122.065 121.223 -0.047 0.000 2.005 481 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 481 L C 2.381 179.200 176.870 -0.084 0.000 1.072 481 L CA 1.445 56.245 54.840 -0.065 0.000 0.744 481 L CB -0.898 41.111 42.059 -0.083 0.000 0.895 481 L HN 0.236 nan 8.230 nan 0.000 0.433 482 L N -0.893 120.270 121.223 -0.099 0.000 2.013 482 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 482 L C 2.426 179.253 176.870 -0.072 0.000 1.073 482 L CA 1.816 56.597 54.840 -0.099 0.000 0.753 482 L CB -1.268 40.720 42.059 -0.117 0.000 0.890 482 L HN 0.274 nan 8.230 nan 0.000 0.432 483 T N -0.877 113.637 114.554 -0.066 0.000 2.720 483 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 483 T C 1.815 176.492 174.700 -0.038 0.000 1.037 483 T CA 1.272 63.341 62.100 -0.051 0.000 1.144 483 T CB -0.173 68.665 68.868 -0.050 0.000 0.864 483 T HN 0.349 nan 8.240 nan 0.000 0.444 484 E N 0.460 120.636 120.200 -0.040 0.000 2.085 484 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 484 E C 2.225 178.810 176.600 -0.026 0.000 0.994 484 E CA 1.107 57.488 56.400 -0.031 0.000 0.801 484 E CB -0.287 29.392 29.700 -0.035 0.000 0.743 484 E HN 0.540 nan 8.360 nan 0.000 0.453 485 I N 0.355 120.905 120.570 -0.034 0.000 2.163 485 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 485 I C 2.798 178.910 176.117 -0.008 0.000 1.081 485 I CA 1.038 62.324 61.300 -0.024 0.000 1.353 485 I CB -0.393 37.586 38.000 -0.034 0.000 1.054 485 I HN 0.003 nan 8.210 nan 0.000 0.407 486 R N 1.070 121.563 120.500 -0.011 0.000 2.117 486 R HA -0.225 4.115 4.340 -0.000 0.000 0.243 486 R C 2.023 178.335 176.300 0.020 0.000 1.143 486 R CA 1.927 58.031 56.100 0.007 0.000 0.968 486 R CB -0.049 30.242 30.300 -0.014 0.000 0.863 486 R HN 0.466 nan 8.270 nan 0.000 0.444 487 E N -0.928 119.275 120.200 0.006 0.000 2.127 487 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 487 E C 1.711 178.317 176.600 0.009 0.000 0.964 487 E CA 0.441 56.846 56.400 0.009 0.000 0.832 487 E CB 0.345 30.044 29.700 -0.001 0.000 0.790 487 E HN 0.142 nan 8.360 nan 0.000 0.465 488 K N -0.251 120.150 120.400 0.002 0.000 2.262 488 K HA 0.067 4.387 4.320 -0.000 0.000 0.200 488 K C 1.266 177.868 176.600 0.004 0.000 1.049 488 K CA 0.791 57.080 56.287 0.002 0.000 0.979 488 K CB 0.293 32.792 32.500 -0.003 0.000 0.773 488 K HN 0.243 nan 8.250 nan 0.000 0.474 489 G N 2.473 111.277 108.800 0.006 0.000 2.296 489 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.282 489 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.282 489 G C -0.159 174.744 174.900 0.005 0.000 1.014 489 G CA 1.128 46.232 45.100 0.008 0.000 0.812 489 G HN 0.418 nan 8.290 nan 0.000 0.508 490 E N -1.438 118.764 120.200 0.004 0.000 2.392 490 E HA 0.649 4.998 4.350 -0.000 0.000 0.279 490 E C -0.817 175.785 176.600 0.003 0.000 0.964 490 E CA -0.974 55.429 56.400 0.006 0.000 0.777 490 E CB 1.286 30.989 29.700 0.005 0.000 1.249 490 E HN 0.125 nan 8.360 nan 0.000 0.449 491 L N 3.196 124.423 121.223 0.008 0.000 2.388 491 L HA 0.381 4.721 4.340 -0.000 0.000 0.267 491 L C -0.357 176.520 176.870 0.010 0.000 0.995 491 L CA -0.645 54.198 54.840 0.005 0.000 0.864 491 L CB 1.539 43.605 42.059 0.013 0.000 1.216 491 L HN 0.537 nan 8.230 nan 0.000 0.430 492 S N 1.313 117.014 115.700 0.003 0.000 2.624 492 S HA 0.284 4.754 4.470 -0.000 0.000 0.263 492 S C 0.928 175.533 174.600 0.009 0.000 1.287 492 S CA -0.832 57.372 58.200 0.007 0.000 0.990 492 S CB 1.507 64.708 63.200 0.003 0.000 0.950 492 S HN 0.521 nan 8.310 nan 0.000 0.561 493 K N 0.724 121.133 120.400 0.015 0.000 2.147 493 K HA -0.115 4.205 4.320 -0.000 0.000 0.205 493 K C 1.916 178.524 176.600 0.012 0.000 1.049 493 K CA 1.488 57.788 56.287 0.021 0.000 0.936 493 K CB -0.204 32.310 32.500 0.024 0.000 0.722 493 K HN 0.607 nan 8.250 nan 0.000 0.446 494 E N 1.120 121.322 120.200 0.003 0.000 2.031 494 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 494 E C 1.901 178.489 176.600 -0.020 0.000 0.994 494 E CA 0.963 57.361 56.400 -0.004 0.000 0.800 494 E CB -0.233 29.465 29.700 -0.004 0.000 0.752 494 E HN 0.135 nan 8.360 nan 0.000 0.447 495 L N 0.377 121.583 121.223 -0.027 0.000 2.013 495 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 495 L C 2.334 179.151 176.870 -0.088 0.000 1.073 495 L CA 1.143 55.951 54.840 -0.053 0.000 0.753 495 L CB -0.326 41.706 42.059 -0.044 0.000 0.890 495 L HN 0.194 nan 8.230 nan 0.000 0.432 496 L N -0.823 120.367 121.223 -0.055 0.000 1.989 496 L HA -0.256 4.084 4.340 -0.000 0.000 0.211 496 L C 2.736 179.560 176.870 -0.078 0.000 1.071 496 L CA 1.476 56.280 54.840 -0.060 0.000 0.749 496 L CB -0.775 41.322 42.059 0.063 0.000 0.890 496 L HN 0.278 nan 8.230 nan 0.000 0.431 497 A N -1.479 121.329 122.820 -0.019 0.000 2.067 497 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 497 A C 2.488 180.047 177.584 -0.042 0.000 1.158 497 A CA 1.731 53.765 52.037 -0.004 0.000 0.661 497 A CB -0.411 18.599 19.000 0.017 0.000 0.801 497 A HN 0.346 nan 8.150 nan 0.000 0.452 498 S N -0.691 114.965 115.700 -0.074 0.000 2.345 498 S HA -0.101 4.369 4.470 -0.000 0.000 0.220 498 S C 1.865 176.350 174.600 -0.192 0.000 1.031 498 S CA 1.396 59.535 58.200 -0.101 0.000 0.996 498 S CB -0.343 62.803 63.200 -0.089 0.000 0.882 498 S HN 0.484 nan 8.310 nan 0.000 0.445 499 L N 2.223 123.285 121.223 -0.269 0.000 2.046 499 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 499 L C 2.214 178.847 176.870 -0.394 0.000 1.077 499 L CA 1.879 56.469 54.840 -0.415 0.000 0.747 499 L CB -0.582 41.099 42.059 -0.631 0.000 0.896 499 L HN 0.181 nan 8.230 nan 0.000 0.432 500 K N -1.506 118.712 120.400 -0.303 0.000 2.103 500 K HA -0.195 4.125 4.320 -0.000 0.000 0.207 500 K C 2.343 178.936 176.600 -0.010 0.000 1.048 500 K CA 1.549 57.826 56.287 -0.016 0.000 0.930 500 K CB -0.195 32.404 32.500 0.165 0.000 0.716 500 K HN 0.392 nan 8.250 nan 0.000 0.444 501 S N -0.237 115.443 115.700 -0.033 0.000 2.368 501 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 501 S C 1.940 176.547 174.600 0.013 0.000 1.029 501 S CA 1.116 59.321 58.200 0.007 0.000 0.988 501 S CB -0.209 62.998 63.200 0.013 0.000 0.838 501 S HN 0.457 nan 8.310 nan 0.000 0.462 502 A N 0.709 123.468 122.820 -0.102 0.000 1.898 502 A HA -0.027 4.293 4.320 -0.000 0.000 0.216 502 A C 2.326 180.018 177.584 0.181 0.000 1.181 502 A CA 2.163 54.129 52.037 -0.118 0.000 0.620 502 A CB -1.469 17.090 19.000 -0.735 0.000 0.819 502 A HN 0.622 nan 8.150 nan 0.000 0.442 503 T N -0.046 114.575 114.554 0.111 0.000 2.668 503 T HA -0.151 4.199 4.350 -0.000 0.000 0.262 503 T C 1.763 176.491 174.700 0.046 0.000 1.045 503 T CA 1.465 63.656 62.100 0.152 0.000 1.152 503 T CB -0.414 68.435 68.868 -0.032 0.000 0.864 503 T HN 0.605 nan 8.240 nan 0.000 0.419 504 E N 0.825 120.995 120.200 -0.050 0.000 2.086 504 E HA -0.195 4.155 4.350 -0.000 0.000 0.200 504 E C 2.500 179.153 176.600 0.088 0.000 1.012 504 E CA 1.354 57.781 56.400 0.045 0.000 0.812 504 E CB -0.252 29.504 29.700 0.094 0.000 0.743 504 E HN 0.353 nan 8.360 nan 0.000 0.453 505 S N -0.071 115.702 115.700 0.121 0.000 2.359 505 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 505 S C 1.730 176.380 174.600 0.083 0.000 1.039 505 S CA 1.407 59.689 58.200 0.136 0.000 1.042 505 S CB -0.366 62.980 63.200 0.242 0.000 0.915 505 S HN 0.338 nan 8.310 nan 0.000 0.439 506 F N 2.275 122.199 119.950 -0.044 0.000 2.134 506 F HA -0.058 4.468 4.527 -0.000 0.000 0.299 506 F C 2.126 177.829 175.800 -0.161 0.000 1.097 506 F CA 1.290 59.145 58.000 -0.241 0.000 1.264 506 F CB -0.760 38.157 39.000 -0.138 0.000 1.001 506 F HN 0.059 nan 8.300 nan 0.000 0.479 507 V N 0.900 120.760 119.914 -0.090 0.000 2.277 507 V HA -0.324 3.796 4.120 -0.000 0.000 0.253 507 V C 1.826 177.797 176.094 -0.204 0.000 1.067 507 V CA 1.495 63.739 62.300 -0.093 0.000 1.047 507 V CB -2.008 29.853 31.823 0.063 0.000 0.649 507 V HN 0.435 nan 8.190 nan 0.000 0.447 508 A N 0.656 123.382 122.820 -0.158 0.000 2.898 508 A HA 0.352 4.672 4.320 -0.000 0.000 0.288 508 A C 0.889 178.317 177.584 -0.261 0.000 1.771 508 A CA 0.820 52.765 52.037 -0.153 0.000 1.383 508 A CB -1.388 17.564 19.000 -0.081 0.000 1.028 508 A HN 0.687 nan 8.150 nan 0.000 0.595 509 T N 0.000 114.374 114.554 -0.301 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.865 62.100 -0.392 0.000 1.349 509 T CB 0.000 68.733 68.868 -0.225 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658