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 1gvo_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKLFTPLKVG AVTAPNRVFM APLTRLRSIE PGDIPTPLMG EYYRQRASAG DATA SEQUENCE LIISEATQIS AQAKGYAGAP GLHSPEQIAA WKKITAGVHA EDGRIAVQLW DATA SEQUENCE HTGRISHSSI QPGGQAPVSA SALNANTRTS LRDENGNAIR VDTTTPRALE DATA SEQUENCE LDEIPGIVND FRQAVANARE AGFDLVELHS AHGYLLHQFL SPSSNQRTDQ DATA SEQUENCE YGGSVENRAR LVLEVVDAVC NEWSADRIGI RVSPIGTFQN VDNGPNEEAD DATA SEQUENCE ALYLIEELAK RGIAYLHMSE TDLAGGKPYS EAFRQKVRER FHGVIIGAGA DATA SEQUENCE YTAEKAEDLI GKGLIDAVAF GRDYIANPDL VARLQKKAEL NPQRPESFYG DATA SEQUENCE GGAEGYTDYP SL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.629 176.600 0.048 0.000 1.382 3 E CA 0.000 56.446 56.400 0.077 0.000 0.976 3 E CB 0.000 29.813 29.700 0.188 0.000 0.812 4 K N 1.604 121.986 120.400 -0.029 0.000 2.440 4 K HA 0.287 4.604 4.320 -0.006 0.000 0.207 4 K C 1.534 178.031 176.600 -0.172 0.000 1.112 4 K CA -0.084 56.167 56.287 -0.060 0.000 1.036 4 K CB 0.673 33.140 32.500 -0.055 0.000 0.935 4 K HN 0.347 nan 8.250 nan 0.000 0.564 5 L N 0.510 121.515 121.223 -0.363 0.000 2.261 5 L HA -0.083 4.253 4.340 -0.006 0.000 0.216 5 L C 0.545 176.955 176.870 -0.766 0.000 1.114 5 L CA 1.347 55.794 54.840 -0.654 0.000 0.777 5 L CB -0.078 41.396 42.059 -0.975 0.000 0.910 5 L HN 0.129 nan 8.230 nan 0.000 0.440 6 F N -1.055 118.904 119.950 0.015 0.000 2.850 6 F HA 0.170 4.693 4.527 -0.005 0.000 0.306 6 F C 0.911 176.723 175.800 0.019 0.000 1.162 6 F CA -0.712 57.300 58.000 0.022 0.000 1.327 6 F CB -0.363 38.646 39.000 0.016 0.000 0.953 6 F HN -0.141 nan 8.300 nan 0.000 0.507 7 T N -2.490 112.105 114.554 0.069 0.000 2.885 7 T HA 0.598 4.945 4.350 -0.006 0.000 0.285 7 T C -2.929 171.795 174.700 0.040 0.000 1.019 7 T CA -2.891 59.243 62.100 0.057 0.000 1.010 7 T CB 2.413 71.297 68.868 0.027 0.000 1.022 7 T HN -0.272 nan 8.240 nan 0.000 0.466 8 P HA 0.400 nan 4.420 nan 0.000 0.268 8 P C -1.111 176.209 177.300 0.032 0.000 1.208 8 P CA -0.513 62.614 63.100 0.045 0.000 0.777 8 P CB 0.333 32.055 31.700 0.037 0.000 0.875 9 L N 1.360 122.611 121.223 0.046 0.000 2.505 9 L HA 0.486 4.823 4.340 -0.006 0.000 0.266 9 L C -0.895 176.006 176.870 0.050 0.000 0.954 9 L CA -0.990 53.875 54.840 0.041 0.000 0.852 9 L CB 1.979 44.066 42.059 0.046 0.000 1.282 9 L HN 0.001 nan 8.230 nan 0.000 0.403 10 K N 3.619 124.038 120.400 0.032 0.000 2.349 10 K HA 0.563 4.880 4.320 -0.006 0.000 0.289 10 K C -1.432 175.192 176.600 0.041 0.000 1.064 10 K CA -0.072 56.230 56.287 0.025 0.000 0.947 10 K CB 0.747 33.252 32.500 0.009 0.000 1.007 10 K HN 0.412 nan 8.250 nan 0.000 0.478 11 V N 5.803 125.743 119.914 0.043 0.000 2.289 11 V HA 0.465 4.581 4.120 -0.006 0.000 0.272 11 V C 0.951 177.071 176.094 0.043 0.000 1.026 11 V CA -0.025 62.318 62.300 0.071 0.000 0.807 11 V CB -0.008 31.859 31.823 0.074 0.000 1.044 11 V HN 1.063 nan 8.190 nan 0.000 0.443 12 G N 4.758 113.576 108.800 0.030 0.000 2.622 12 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.307 12 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.307 12 G C 1.101 175.969 174.900 -0.052 0.000 1.226 12 G CA 0.559 45.643 45.100 -0.026 0.000 0.997 12 G HN 1.431 nan 8.290 nan 0.000 0.551 13 A N -0.230 122.534 122.820 -0.093 0.000 2.209 13 A HA 0.510 4.827 4.320 -0.006 0.000 0.212 13 A C 1.408 178.958 177.584 -0.055 0.000 1.158 13 A CA 2.577 54.562 52.037 -0.087 0.000 0.742 13 A CB -0.762 18.156 19.000 -0.137 0.000 0.790 13 A HN 2.246 nan 8.150 nan 0.000 0.472 14 V N -4.936 114.952 119.914 -0.044 0.000 3.158 14 V HA 0.799 4.916 4.120 -0.006 0.000 0.315 14 V C -0.460 175.623 176.094 -0.017 0.000 1.148 14 V CA -0.627 61.654 62.300 -0.032 0.000 1.042 14 V CB 1.584 33.386 31.823 -0.035 0.000 1.101 14 V HN -0.046 nan 8.190 nan 0.000 0.448 15 T N 1.991 116.538 114.554 -0.012 0.000 2.815 15 T HA 0.770 5.116 4.350 -0.006 0.000 0.289 15 T C -0.087 174.619 174.700 0.010 0.000 1.000 15 T CA 0.156 62.258 62.100 0.005 0.000 0.958 15 T CB 1.096 69.968 68.868 0.006 0.000 0.944 15 T HN 1.320 nan 8.240 nan 0.000 0.442 16 A N 5.092 127.931 122.820 0.031 0.000 2.331 16 A HA 0.607 4.923 4.320 -0.006 0.000 0.283 16 A C -1.285 176.347 177.584 0.079 0.000 1.142 16 A CA -1.515 50.553 52.037 0.051 0.000 0.812 16 A CB 0.438 19.513 19.000 0.125 0.000 1.074 16 A HN 0.544 nan 8.150 nan 0.000 0.497 17 P HA -0.003 nan 4.420 nan 0.000 0.236 17 P C -0.363 177.006 177.300 0.115 0.000 1.177 17 P CA 0.785 63.936 63.100 0.084 0.000 0.773 17 P CB -0.077 31.668 31.700 0.074 0.000 0.878 18 N N -1.681 117.107 118.700 0.146 0.000 2.934 18 N HA 0.302 5.039 4.740 -0.006 0.000 0.253 18 N C -0.305 175.288 175.510 0.138 0.000 1.466 18 N CA -0.975 52.157 53.050 0.137 0.000 0.858 18 N CB 0.523 39.136 38.487 0.208 0.000 1.459 18 N HN -0.417 nan 8.380 nan 0.000 0.532 19 R N -0.444 120.032 120.500 -0.041 0.000 2.515 19 R HA 0.367 4.703 4.340 -0.006 0.000 0.294 19 R C -0.669 175.435 176.300 -0.327 0.000 1.021 19 R CA -0.220 55.722 56.100 -0.264 0.000 1.081 19 R CB 0.327 30.421 30.300 -0.342 0.000 1.263 19 R HN 0.350 nan 8.270 nan 0.000 0.557 20 V N 2.831 122.769 119.914 0.040 0.000 2.288 20 V HA 0.275 4.392 4.120 -0.006 0.000 0.266 20 V C -0.478 175.924 176.094 0.513 0.000 1.048 20 V CA -0.407 62.033 62.300 0.233 0.000 0.842 20 V CB 0.143 32.133 31.823 0.278 0.000 1.064 20 V HN 0.060 nan 8.190 nan 0.000 0.472 21 F N 3.564 123.557 119.950 0.072 0.000 2.399 21 F HA 0.561 5.085 4.527 -0.006 0.000 0.328 21 F C 0.363 176.174 175.800 0.020 0.000 1.084 21 F CA -2.018 55.959 58.000 -0.037 0.000 1.053 21 F CB 1.671 40.533 39.000 -0.229 0.000 1.209 21 F HN 0.337 nan 8.300 nan 0.000 0.502 22 M N 2.579 122.129 119.600 -0.082 0.000 2.080 22 M HA 0.587 5.064 4.480 -0.006 0.000 0.350 22 M C -0.383 175.875 176.300 -0.070 0.000 1.173 22 M CA -0.462 54.635 55.300 -0.339 0.000 1.052 22 M CB 0.629 32.699 32.600 -0.883 0.000 1.577 22 M HN 0.678 nan 8.290 nan 0.000 0.455 23 A N 7.474 130.333 122.820 0.064 0.000 2.425 23 A HA 0.517 4.834 4.320 -0.006 0.000 0.242 23 A C -2.463 175.157 177.584 0.060 0.000 1.077 23 A CA -1.180 50.917 52.037 0.100 0.000 0.781 23 A CB -0.569 18.508 19.000 0.128 0.000 1.020 23 A HN 0.643 nan 8.150 nan 0.000 0.494 24 P HA 0.265 nan 4.420 nan 0.000 0.271 24 P C -1.190 176.118 177.300 0.013 0.000 1.226 24 P CA 0.529 63.625 63.100 -0.006 0.000 0.765 24 P CB 0.337 31.970 31.700 -0.113 0.000 0.835 25 L N 3.164 124.416 121.223 0.048 0.000 2.406 25 L HA 0.279 4.615 4.340 -0.006 0.000 0.270 25 L C 0.501 177.396 176.870 0.041 0.000 0.982 25 L CA -0.430 54.434 54.840 0.040 0.000 0.843 25 L CB 1.773 43.857 42.059 0.042 0.000 1.225 25 L HN 0.184 nan 8.230 nan 0.000 0.412 26 T N 3.131 117.697 114.554 0.020 0.000 2.817 26 T HA 0.172 4.519 4.350 -0.006 0.000 0.295 26 T C 0.999 175.767 174.700 0.113 0.000 0.958 26 T CA -0.181 61.938 62.100 0.032 0.000 1.157 26 T CB 0.546 69.408 68.868 -0.010 0.000 0.898 26 T HN 0.425 nan 8.240 nan 0.000 0.536 27 R N 2.147 122.688 120.500 0.068 0.000 2.446 27 R HA 0.254 4.591 4.340 -0.006 0.000 0.254 27 R C 0.699 177.012 176.300 0.021 0.000 0.918 27 R CA -0.213 55.888 56.100 0.002 0.000 1.069 27 R CB -0.328 29.889 30.300 -0.139 0.000 1.194 27 R HN 0.707 nan 8.270 nan 0.000 0.534 28 L N 1.647 122.912 121.223 0.070 0.000 3.762 28 L HA -0.282 4.054 4.340 -0.006 0.000 0.460 28 L C 0.334 177.190 176.870 -0.024 0.000 1.255 28 L CA 0.605 55.491 54.840 0.077 0.000 0.783 28 L CB -1.138 41.027 42.059 0.177 0.000 1.600 28 L HN 0.139 nan 8.230 nan 0.000 0.862 29 R N -1.328 119.099 120.500 -0.122 0.000 2.577 29 R HA 0.250 4.587 4.340 -0.006 0.000 0.344 29 R C 0.680 176.905 176.300 -0.125 0.000 1.037 29 R CA -0.190 55.794 56.100 -0.193 0.000 1.102 29 R CB 0.856 30.879 30.300 -0.461 0.000 1.313 29 R HN 0.256 nan 8.270 nan 0.000 0.561 30 S N 0.845 116.507 115.700 -0.063 0.000 2.600 30 S HA 0.255 4.722 4.470 -0.006 0.000 0.265 30 S C 0.534 175.110 174.600 -0.039 0.000 1.325 30 S CA -0.303 57.865 58.200 -0.053 0.000 1.002 30 S CB 1.016 64.205 63.200 -0.017 0.000 0.921 30 S HN 0.137 nan 8.310 nan 0.000 0.554 31 I N 1.767 122.309 120.570 -0.046 0.000 2.474 31 I HA 0.198 4.364 4.170 -0.006 0.000 0.287 31 I C 0.465 176.576 176.117 -0.011 0.000 1.048 31 I CA 0.279 61.561 61.300 -0.031 0.000 1.383 31 I CB 0.616 38.593 38.000 -0.039 0.000 1.412 31 I HN 0.573 nan 8.210 nan 0.000 0.531 32 E N 6.622 126.821 120.200 -0.002 0.000 2.248 32 E HA 0.415 4.761 4.350 -0.006 0.000 0.267 32 E C -2.211 174.393 176.600 0.006 0.000 0.877 32 E CA -1.707 54.699 56.400 0.011 0.000 0.759 32 E CB 1.696 31.408 29.700 0.020 0.000 1.182 32 E HN 0.449 nan 8.360 nan 0.000 0.418 33 P HA 0.232 nan 4.420 nan 0.000 0.274 33 P C 0.467 177.776 177.300 0.014 0.000 1.231 33 P CA -0.008 63.102 63.100 0.017 0.000 0.790 33 P CB 1.074 32.784 31.700 0.017 0.000 0.951 34 G N 0.672 109.488 108.800 0.027 0.000 2.253 34 G HA2 -0.198 3.758 3.960 -0.006 0.000 0.209 34 G HA3 -0.198 3.758 3.960 -0.006 0.000 0.209 34 G C 0.022 174.928 174.900 0.011 0.000 0.997 34 G CA 0.102 45.213 45.100 0.018 0.000 0.640 34 G HN 0.593 nan 8.290 nan 0.000 0.496 35 D N 0.075 120.490 120.400 0.024 0.000 2.686 35 D HA -0.176 4.461 4.640 -0.006 0.000 0.235 35 D C 0.582 176.871 176.300 -0.018 0.000 1.160 35 D CA 1.594 55.615 54.000 0.035 0.000 0.645 35 D CB -1.544 39.313 40.800 0.094 0.000 1.039 35 D HN 0.778 nan 8.370 nan 0.000 0.423 36 I N -0.177 120.359 120.570 -0.056 0.000 2.331 36 I HA 0.247 4.414 4.170 -0.006 0.000 0.292 36 I C -1.954 174.048 176.117 -0.192 0.000 0.998 36 I CA -2.020 59.207 61.300 -0.122 0.000 1.267 36 I CB 1.088 39.032 38.000 -0.094 0.000 1.386 36 I HN -0.328 nan 8.210 nan 0.000 0.476 37 P HA 0.071 nan 4.420 nan 0.000 0.269 37 P C -0.369 176.776 177.300 -0.260 0.000 1.215 37 P CA -0.063 62.756 63.100 -0.469 0.000 0.780 37 P CB 0.607 31.681 31.700 -1.044 0.000 0.898 38 T N -1.111 113.345 114.554 -0.163 0.000 2.940 38 T HA 0.469 4.816 4.350 -0.006 0.000 0.288 38 T C -2.205 172.480 174.700 -0.026 0.000 1.045 38 T CA -2.271 59.782 62.100 -0.079 0.000 1.018 38 T CB 1.195 70.034 68.868 -0.049 0.000 1.151 38 T HN 0.036 nan 8.240 nan 0.000 0.529 39 P HA 0.002 nan 4.420 nan 0.000 0.218 39 P C 1.635 178.974 177.300 0.064 0.000 1.149 39 P CA 0.250 63.363 63.100 0.023 0.000 0.817 39 P CB -0.003 31.705 31.700 0.014 0.000 0.785 40 L N -1.400 119.869 121.223 0.077 0.000 2.046 40 L HA -0.124 4.212 4.340 -0.006 0.000 0.208 40 L C 2.232 179.248 176.870 0.244 0.000 1.077 40 L CA 1.946 56.873 54.840 0.145 0.000 0.747 40 L CB -0.990 41.152 42.059 0.139 0.000 0.896 40 L HN -0.100 nan 8.230 nan 0.000 0.432 41 M N -1.100 118.638 119.600 0.230 0.000 2.159 41 M HA -0.108 4.368 4.480 -0.006 0.000 0.263 41 M C 2.129 178.623 176.300 0.323 0.000 1.063 41 M CA 1.641 57.123 55.300 0.303 0.000 1.110 41 M CB -0.938 31.781 32.600 0.199 0.000 1.374 41 M HN 0.449 nan 8.290 nan 0.000 0.411 42 G N -0.105 108.828 108.800 0.221 0.000 2.418 42 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.217 42 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.217 42 G C 1.339 176.341 174.900 0.171 0.000 1.158 42 G CA 1.100 46.325 45.100 0.208 0.000 0.771 42 G HN 0.569 nan 8.290 nan 0.000 0.545 43 E N -0.662 119.612 120.200 0.123 0.000 2.072 43 E HA -0.197 4.150 4.350 -0.006 0.000 0.191 43 E C 2.059 178.685 176.600 0.044 0.000 0.985 43 E CA 0.855 57.300 56.400 0.075 0.000 0.801 43 E CB -0.350 29.390 29.700 0.066 0.000 0.750 43 E HN 0.520 nan 8.360 nan 0.000 0.452 44 Y N 0.108 120.303 120.300 -0.174 0.000 2.128 44 Y HA -0.299 4.248 4.550 -0.005 0.000 0.284 44 Y C 1.670 177.399 175.900 -0.287 0.000 1.154 44 Y CA 2.057 59.904 58.100 -0.421 0.000 1.149 44 Y CB -0.527 37.365 38.460 -0.948 0.000 0.976 44 Y HN 0.107 nan 8.280 nan 0.000 0.505 45 Y N 0.155 120.398 120.300 -0.095 0.000 2.263 45 Y HA -0.112 4.435 4.550 -0.006 0.000 0.292 45 Y C 2.825 178.633 175.900 -0.153 0.000 1.130 45 Y CA 1.715 59.703 58.100 -0.187 0.000 1.179 45 Y CB -0.672 37.797 38.460 0.016 0.000 0.998 45 Y HN 0.076 nan 8.280 nan 0.000 0.532 46 R N 0.464 121.006 120.500 0.070 0.000 2.096 46 R HA -0.192 4.145 4.340 -0.006 0.000 0.235 46 R C 1.951 178.242 176.300 -0.016 0.000 1.127 46 R CA 1.630 57.743 56.100 0.022 0.000 0.968 46 R CB -0.158 30.160 30.300 0.030 0.000 0.861 46 R HN 0.422 nan 8.270 nan 0.000 0.440 47 Q N -0.423 119.348 119.800 -0.049 0.000 2.291 47 Q HA -0.126 4.211 4.340 -0.006 0.000 0.206 47 Q C 1.163 177.132 176.000 -0.051 0.000 0.976 47 Q CA 1.200 56.973 55.803 -0.050 0.000 0.875 47 Q CB 0.164 28.862 28.738 -0.067 0.000 0.927 47 Q HN 0.289 nan 8.270 nan 0.000 0.450 48 R N -0.570 119.872 120.500 -0.097 0.000 2.507 48 R HA 0.259 4.596 4.340 -0.006 0.000 0.298 48 R C 1.329 177.609 176.300 -0.034 0.000 0.999 48 R CA 0.141 56.208 56.100 -0.055 0.000 1.082 48 R CB 0.463 30.637 30.300 -0.210 0.000 1.246 48 R HN 0.071 nan 8.270 nan 0.000 0.553 49 A N 0.964 123.773 122.820 -0.019 0.000 2.178 49 A HA -0.135 4.182 4.320 -0.006 0.000 0.218 49 A C 1.980 179.573 177.584 0.015 0.000 1.157 49 A CA 1.549 53.579 52.037 -0.012 0.000 0.689 49 A CB -0.248 18.750 19.000 -0.004 0.000 0.787 49 A HN 0.359 nan 8.150 nan 0.000 0.465 50 S N -0.408 115.321 115.700 0.049 0.000 2.562 50 S HA 0.443 4.910 4.470 -0.006 0.000 0.221 50 S C 1.003 175.673 174.600 0.116 0.000 0.975 50 S CA 0.287 58.532 58.200 0.075 0.000 0.918 50 S CB -0.651 62.596 63.200 0.079 0.000 0.772 50 S HN 0.869 nan 8.310 nan 0.000 0.531 51 A N 1.218 124.107 122.820 0.115 0.000 2.520 51 A HA 0.550 4.866 4.320 -0.006 0.000 0.235 51 A C 1.630 179.261 177.584 0.078 0.000 1.065 51 A CA 0.095 52.221 52.037 0.148 0.000 0.764 51 A CB -0.464 18.493 19.000 -0.072 0.000 1.002 51 A HN 0.426 nan 8.150 nan 0.000 0.502 52 G N 0.175 109.085 108.800 0.183 0.000 2.442 52 G HA2 0.148 4.105 3.960 -0.006 0.000 0.219 52 G HA3 0.148 4.105 3.960 -0.006 0.000 0.219 52 G C 0.308 175.066 174.900 -0.237 0.000 1.141 52 G CA 1.684 46.872 45.100 0.147 0.000 0.763 52 G HN 1.189 nan 8.290 nan 0.000 0.554 53 L N -0.748 120.162 121.223 -0.522 0.000 2.565 53 L HA 0.547 4.884 4.340 -0.006 0.000 0.261 53 L C -1.378 175.204 176.870 -0.479 0.000 0.932 53 L CA -0.758 53.655 54.840 -0.711 0.000 0.878 53 L CB 1.870 43.074 42.059 -1.425 0.000 1.333 53 L HN 0.005 nan 8.230 nan 0.000 0.409 54 I N 5.583 125.968 120.570 -0.309 0.000 2.331 54 I HA 0.425 4.592 4.170 -0.006 0.000 0.292 54 I C -0.487 175.522 176.117 -0.180 0.000 0.998 54 I CA -0.403 60.758 61.300 -0.232 0.000 1.267 54 I CB 1.379 39.291 38.000 -0.148 0.000 1.386 54 I HN 0.488 nan 8.210 nan 0.000 0.476 55 I N 5.809 126.301 120.570 -0.130 0.000 2.355 55 I HA 0.177 4.344 4.170 -0.006 0.000 0.288 55 I C 0.676 176.776 176.117 -0.029 0.000 0.999 55 I CA -0.339 60.911 61.300 -0.083 0.000 1.163 55 I CB 1.661 39.644 38.000 -0.027 0.000 1.316 55 I HN 0.630 nan 8.210 nan 0.000 0.454 56 S N 5.375 121.025 115.700 -0.083 0.000 2.596 56 S HA 0.132 4.599 4.470 -0.006 0.000 0.260 56 S C 0.214 174.841 174.600 0.044 0.000 1.336 56 S CA -0.697 57.513 58.200 0.017 0.000 0.993 56 S CB 0.578 63.658 63.200 -0.200 0.000 0.923 56 S HN 0.675 nan 8.310 nan 0.000 0.567 57 E N 0.730 121.059 120.200 0.215 0.000 2.418 57 E HA 0.354 4.701 4.350 -0.006 0.000 0.261 57 E C 0.209 176.695 176.600 -0.189 0.000 1.070 57 E CA -0.461 55.969 56.400 0.051 0.000 0.931 57 E CB 0.224 30.027 29.700 0.172 0.000 0.954 57 E HN 0.826 nan 8.360 nan 0.000 0.439 58 A N 2.794 125.308 122.820 -0.509 0.000 2.546 58 A HA 0.167 4.483 4.320 -0.006 0.000 0.243 58 A C -0.164 176.929 177.584 -0.818 0.000 1.063 58 A CA 0.204 51.630 52.037 -1.019 0.000 0.757 58 A CB -0.001 17.666 19.000 -2.222 0.000 0.991 58 A HN 0.587 nan 8.150 nan 0.000 0.503 59 T N 3.275 117.513 114.554 -0.528 0.000 2.848 59 T HA 0.418 4.765 4.350 -0.006 0.000 0.285 59 T C -0.403 174.444 174.700 0.245 0.000 0.995 59 T CA -0.382 61.702 62.100 -0.027 0.000 0.970 59 T CB 1.328 70.179 68.868 -0.027 0.000 0.976 59 T HN 0.702 nan 8.240 nan 0.000 0.441 60 Q N 1.909 121.974 119.800 0.442 0.000 2.330 60 Q HA 0.196 4.533 4.340 -0.006 0.000 0.279 60 Q C 1.507 177.643 176.000 0.228 0.000 1.024 60 Q CA 0.023 56.046 55.803 0.367 0.000 0.900 60 Q CB 0.323 29.241 28.738 0.300 0.000 1.221 60 Q HN 0.775 nan 8.270 nan 0.000 0.396 61 I N -1.544 119.051 120.570 0.041 0.000 3.226 61 I HA 0.128 4.295 4.170 -0.006 0.000 0.277 61 I C 0.258 176.343 176.117 -0.052 0.000 1.243 61 I CA 0.062 61.324 61.300 -0.063 0.000 1.459 61 I CB 0.155 37.927 38.000 -0.380 0.000 1.093 61 I HN 0.451 nan 8.210 nan 0.000 0.453 62 S N -0.538 115.070 115.700 -0.153 0.000 2.636 62 S HA 0.696 5.163 4.470 -0.006 0.000 0.268 62 S C 0.433 174.663 174.600 -0.617 0.000 1.159 62 S CA -0.327 57.587 58.200 -0.477 0.000 0.815 62 S CB 1.388 64.408 63.200 -0.300 0.000 1.130 62 S HN 0.091 nan 8.310 nan 0.000 0.471 63 A N 0.514 122.891 122.820 -0.739 0.000 1.930 63 A HA -0.045 4.271 4.320 -0.006 0.000 0.217 63 A C 2.080 179.529 177.584 -0.225 0.000 1.175 63 A CA 1.761 53.585 52.037 -0.354 0.000 0.627 63 A CB -1.106 17.761 19.000 -0.222 0.000 0.815 63 A HN 0.875 nan 8.150 nan 0.000 0.443 64 Q N -0.421 119.237 119.800 -0.236 0.000 2.170 64 Q HA -0.132 4.205 4.340 -0.006 0.000 0.203 64 Q C 2.036 177.794 176.000 -0.403 0.000 0.976 64 Q CA 1.323 57.011 55.803 -0.192 0.000 0.858 64 Q CB -0.306 28.388 28.738 -0.074 0.000 0.907 64 Q HN 0.614 nan 8.270 nan 0.000 0.433 65 A N 1.104 123.538 122.820 -0.644 0.000 2.070 65 A HA -0.104 4.213 4.320 -0.006 0.000 0.220 65 A C 1.113 178.348 177.584 -0.581 0.000 1.159 65 A CA 0.457 51.874 52.037 -1.035 0.000 0.656 65 A CB -0.320 18.258 19.000 -0.702 0.000 0.800 65 A HN 0.277 nan 8.150 nan 0.000 0.453 66 K N -0.119 120.101 120.400 -0.299 0.000 2.451 66 K HA 0.228 4.545 4.320 -0.006 0.000 0.280 66 K C 0.869 177.377 176.600 -0.153 0.000 1.020 66 K CA 0.625 56.827 56.287 -0.141 0.000 1.008 66 K CB 0.284 32.777 32.500 -0.012 0.000 0.917 66 K HN 0.159 nan 8.250 nan 0.000 0.478 67 G N 3.293 112.029 108.800 -0.107 0.000 3.040 67 G HA2 0.090 4.046 3.960 -0.006 0.000 0.214 67 G HA3 0.090 4.046 3.960 -0.006 0.000 0.214 67 G C -0.958 173.861 174.900 -0.134 0.000 1.093 67 G CA -0.011 45.014 45.100 -0.124 0.000 0.931 67 G HN 0.515 nan 8.290 nan 0.000 0.632 68 Y N 0.749 121.054 120.300 0.009 0.000 2.425 68 Y HA 0.689 5.236 4.550 -0.005 0.000 0.344 68 Y C 0.295 176.245 175.900 0.084 0.000 0.969 68 Y CA -1.623 56.523 58.100 0.077 0.000 1.052 68 Y CB 1.986 40.550 38.460 0.174 0.000 1.215 68 Y HN 0.121 nan 8.280 nan 0.000 0.451 69 A N 1.542 124.469 122.820 0.178 0.000 2.454 69 A HA 0.507 4.824 4.320 -0.006 0.000 0.260 69 A C 1.209 178.881 177.584 0.146 0.000 1.106 69 A CA 0.794 52.905 52.037 0.123 0.000 0.780 69 A CB -0.748 18.288 19.000 0.060 0.000 1.044 69 A HN 1.564 nan 8.150 nan 0.000 0.498 70 G N 0.913 109.788 108.800 0.125 0.000 2.218 70 G HA2 0.184 4.140 3.960 -0.006 0.000 0.216 70 G HA3 0.184 4.140 3.960 -0.006 0.000 0.216 70 G C 0.528 175.502 174.900 0.123 0.000 0.994 70 G CA 0.124 45.284 45.100 0.099 0.000 0.637 70 G HN 2.074 nan 8.290 nan 0.000 0.505 71 A N 2.014 124.954 122.820 0.200 0.000 2.363 71 A HA 0.737 5.053 4.320 -0.006 0.000 0.270 71 A C -1.380 176.337 177.584 0.222 0.000 1.121 71 A CA -0.714 51.466 52.037 0.239 0.000 0.800 71 A CB 0.729 19.976 19.000 0.411 0.000 1.052 71 A HN 0.260 nan 8.150 nan 0.000 0.493 72 P HA 0.433 nan 4.420 nan 0.000 0.278 72 P C 0.100 177.585 177.300 0.309 0.000 1.258 72 P CA 0.004 63.236 63.100 0.220 0.000 0.811 72 P CB 1.510 33.346 31.700 0.226 0.000 1.063 73 G N -0.023 108.927 108.800 0.250 0.000 2.685 73 G HA2 0.539 4.496 3.960 -0.006 0.000 0.298 73 G HA3 0.539 4.496 3.960 -0.006 0.000 0.298 73 G C -1.343 173.705 174.900 0.246 0.000 1.277 73 G CA -0.562 44.667 45.100 0.215 0.000 0.986 73 G HN 0.489 nan 8.290 nan 0.000 0.487 74 L N -0.028 121.283 121.223 0.146 0.000 2.980 74 L HA 0.400 4.737 4.340 -0.006 0.000 0.314 74 L C 0.560 177.486 176.870 0.094 0.000 1.303 74 L CA -0.555 54.370 54.840 0.141 0.000 0.785 74 L CB -0.475 41.606 42.059 0.037 0.000 1.190 74 L HN 0.805 nan 8.230 nan 0.000 0.567 75 H N -3.143 115.988 119.070 0.103 0.000 3.255 75 H HA 0.533 5.088 4.556 -0.001 0.000 0.256 75 H C 0.652 176.014 175.328 0.055 0.000 1.049 75 H CA 0.338 56.419 56.048 0.056 0.000 1.202 75 H CB -0.004 29.774 29.762 0.027 0.000 1.497 75 H HN 0.231 nan 8.280 nan 0.000 0.503 76 S N 0.002 115.625 115.700 -0.128 0.000 2.681 76 S HA 0.362 4.829 4.470 -0.006 0.000 0.299 76 S C -1.867 172.735 174.600 0.004 0.000 1.113 76 S CA -1.485 56.709 58.200 -0.010 0.000 1.013 76 S CB 2.560 65.732 63.200 -0.046 0.000 1.076 76 S HN -0.104 nan 8.310 nan 0.000 0.534 77 P HA -0.042 nan 4.420 nan 0.000 0.216 77 P C 0.941 178.249 177.300 0.014 0.000 1.153 77 P CA 1.194 64.306 63.100 0.021 0.000 0.848 77 P CB 0.014 31.726 31.700 0.019 0.000 0.787 78 E N -0.520 119.680 120.200 -0.001 0.000 2.110 78 E HA -0.195 4.151 4.350 -0.006 0.000 0.193 78 E C 2.141 178.727 176.600 -0.022 0.000 0.988 78 E CA 1.231 57.623 56.400 -0.013 0.000 0.804 78 E CB -0.709 28.978 29.700 -0.021 0.000 0.745 78 E HN 0.386 nan 8.360 nan 0.000 0.458 79 Q N -0.101 119.686 119.800 -0.022 0.000 2.046 79 Q HA -0.058 4.279 4.340 -0.006 0.000 0.200 79 Q C 2.247 178.334 176.000 0.145 0.000 0.975 79 Q CA 1.062 56.867 55.803 0.004 0.000 0.836 79 Q CB -0.107 28.629 28.738 -0.003 0.000 0.896 79 Q HN 0.313 nan 8.270 nan 0.000 0.428 80 I N 0.679 121.337 120.570 0.146 0.000 2.163 80 I HA -0.307 3.860 4.170 -0.006 0.000 0.243 80 I C 2.407 178.602 176.117 0.131 0.000 1.085 80 I CA 1.042 62.450 61.300 0.180 0.000 1.347 80 I CB -0.425 37.634 38.000 0.099 0.000 1.044 80 I HN 0.188 nan 8.210 nan 0.000 0.408 81 A N 0.670 123.527 122.820 0.062 0.000 1.902 81 A HA -0.161 4.156 4.320 -0.006 0.000 0.217 81 A C 2.527 180.122 177.584 0.018 0.000 1.181 81 A CA 1.906 53.962 52.037 0.031 0.000 0.623 81 A CB -0.778 18.228 19.000 0.009 0.000 0.818 81 A HN 0.447 nan 8.150 nan 0.000 0.443 82 A N -1.561 121.251 122.820 -0.013 0.000 1.898 82 A HA -0.119 4.198 4.320 -0.006 0.000 0.216 82 A C 2.011 179.559 177.584 -0.059 0.000 1.181 82 A CA 1.182 53.168 52.037 -0.086 0.000 0.620 82 A CB -0.893 17.988 19.000 -0.198 0.000 0.819 82 A HN 0.746 nan 8.150 nan 0.000 0.442 83 W N 0.180 121.475 121.300 -0.009 0.000 2.374 83 W HA -0.084 4.572 4.660 -0.007 0.000 0.288 83 W C 2.293 178.704 176.519 -0.180 0.000 1.218 83 W CA 1.234 58.550 57.345 -0.050 0.000 1.245 83 W CB 0.058 29.555 29.460 0.063 0.000 1.126 83 W HN 0.237 nan 8.180 nan 0.000 0.545 84 K N 0.498 120.957 120.400 0.099 0.000 2.103 84 K HA -0.192 4.125 4.320 -0.006 0.000 0.207 84 K C 1.793 178.377 176.600 -0.027 0.000 1.048 84 K CA 1.441 57.723 56.287 -0.008 0.000 0.930 84 K CB -0.193 32.312 32.500 0.009 0.000 0.716 84 K HN 0.151 nan 8.250 nan 0.000 0.444 85 K N 0.425 120.820 120.400 -0.007 0.000 2.103 85 K HA -0.038 4.278 4.320 -0.006 0.000 0.204 85 K C 2.076 178.664 176.600 -0.019 0.000 1.052 85 K CA 0.972 57.251 56.287 -0.013 0.000 0.945 85 K CB -0.015 32.479 32.500 -0.010 0.000 0.722 85 K HN 0.123 nan 8.250 nan 0.000 0.443 86 I N 1.383 121.951 120.570 -0.002 0.000 2.252 86 I HA -0.250 3.917 4.170 -0.006 0.000 0.245 86 I C 2.651 178.703 176.117 -0.107 0.000 1.102 86 I CA 1.581 62.893 61.300 0.020 0.000 1.385 86 I CB -0.701 37.388 38.000 0.148 0.000 1.064 86 I HN 0.319 nan 8.210 nan 0.000 0.414 87 T N -0.739 113.668 114.554 -0.246 0.000 2.867 87 T HA -0.049 4.297 4.350 -0.006 0.000 0.268 87 T C 1.992 176.434 174.700 -0.431 0.000 1.057 87 T CA 0.915 62.719 62.100 -0.493 0.000 1.136 87 T CB -0.401 68.078 68.868 -0.648 0.000 0.874 87 T HN 0.319 nan 8.240 nan 0.000 0.466 88 A N 1.754 124.473 122.820 -0.169 0.000 1.933 88 A HA 0.260 4.577 4.320 -0.006 0.000 0.218 88 A C 2.694 180.254 177.584 -0.041 0.000 1.175 88 A CA 1.588 53.601 52.037 -0.039 0.000 0.628 88 A CB -1.563 17.434 19.000 -0.005 0.000 0.814 88 A HN 0.615 nan 8.150 nan 0.000 0.444 89 G N -0.613 108.151 108.800 -0.060 0.000 2.402 89 G HA2 -0.088 3.869 3.960 -0.006 0.000 0.216 89 G HA3 -0.088 3.869 3.960 -0.006 0.000 0.216 89 G C 1.497 176.371 174.900 -0.043 0.000 1.162 89 G CA 1.179 46.263 45.100 -0.026 0.000 0.777 89 G HN 0.304 nan 8.290 nan 0.000 0.539 90 V N 0.458 120.299 119.914 -0.123 0.000 2.343 90 V HA -0.191 3.926 4.120 -0.006 0.000 0.247 90 V C 2.401 178.453 176.094 -0.071 0.000 1.051 90 V CA 2.142 64.362 62.300 -0.133 0.000 1.036 90 V CB -0.791 30.883 31.823 -0.247 0.000 0.654 90 V HN 0.553 nan 8.190 nan 0.000 0.451 91 H N -0.212 118.839 119.070 -0.032 0.000 2.423 91 H HA 0.009 4.562 4.556 -0.006 0.000 0.297 91 H C 2.268 177.586 175.328 -0.016 0.000 1.075 91 H CA 0.897 56.928 56.048 -0.027 0.000 1.342 91 H CB -0.060 29.681 29.762 -0.034 0.000 1.395 91 H HN 0.465 nan 8.280 nan 0.000 0.530 92 A N 0.900 123.777 122.820 0.094 0.000 2.019 92 A HA -0.132 4.185 4.320 -0.006 0.000 0.219 92 A C 1.677 179.286 177.584 0.041 0.000 1.164 92 A CA 1.293 53.363 52.037 0.054 0.000 0.644 92 A CB 0.083 19.102 19.000 0.033 0.000 0.805 92 A HN 0.267 nan 8.150 nan 0.000 0.449 93 E N -0.613 119.610 120.200 0.038 0.000 2.419 93 E HA 0.097 4.444 4.350 -0.006 0.000 0.190 93 E C -0.393 176.229 176.600 0.036 0.000 1.040 93 E CA 0.287 56.704 56.400 0.029 0.000 0.900 93 E CB -0.021 29.690 29.700 0.018 0.000 1.054 93 E HN 0.495 nan 8.360 nan 0.000 0.462 94 D N -0.136 120.295 120.400 0.053 0.000 2.907 94 D HA -0.131 4.506 4.640 -0.006 0.000 0.226 94 D C 0.311 176.645 176.300 0.057 0.000 1.141 94 D CA 1.137 55.168 54.000 0.052 0.000 0.779 94 D CB -0.989 39.831 40.800 0.032 0.000 1.095 94 D HN 0.355 nan 8.370 nan 0.000 0.430 95 G N -0.485 108.360 108.800 0.075 0.000 2.613 95 G HA2 0.808 4.765 3.960 -0.006 0.000 0.303 95 G HA3 0.808 4.765 3.960 -0.006 0.000 0.303 95 G C -0.478 174.483 174.900 0.101 0.000 1.312 95 G CA -0.819 44.310 45.100 0.049 0.000 1.036 95 G HN 0.175 nan 8.290 nan 0.000 0.513 96 R N -1.158 119.354 120.500 0.020 0.000 2.628 96 R HA 0.624 4.960 4.340 -0.006 0.000 0.288 96 R C -1.225 175.044 176.300 -0.050 0.000 0.980 96 R CA -0.549 55.571 56.100 0.033 0.000 0.891 96 R CB 2.596 32.876 30.300 -0.035 0.000 1.188 96 R HN 0.467 nan 8.270 nan 0.000 0.450 97 I N 1.157 121.724 120.570 -0.004 0.000 2.607 97 I HA 0.695 4.861 4.170 -0.006 0.000 0.290 97 I C -1.341 174.842 176.117 0.110 0.000 1.129 97 I CA -0.582 60.703 61.300 -0.025 0.000 1.042 97 I CB 1.838 39.779 38.000 -0.100 0.000 1.242 97 I HN 0.809 nan 8.210 nan 0.000 0.421 98 A N 6.356 129.179 122.820 0.005 0.000 2.340 98 A HA 0.700 5.017 4.320 -0.006 0.000 0.331 98 A C -1.324 176.086 177.584 -0.289 0.000 1.140 98 A CA -0.560 51.447 52.037 -0.050 0.000 0.801 98 A CB 1.810 20.790 19.000 -0.033 0.000 1.234 98 A HN 0.593 nan 8.150 nan 0.000 0.469 99 V N 2.397 121.910 119.914 -0.668 0.000 2.394 99 V HA 0.369 4.486 4.120 -0.006 0.000 0.282 99 V C 0.064 175.839 176.094 -0.530 0.000 1.031 99 V CA -0.432 61.260 62.300 -1.014 0.000 0.881 99 V CB 1.271 31.887 31.823 -2.011 0.000 0.982 99 V HN 0.969 nan 8.190 nan 0.000 0.451 100 Q N 5.878 125.440 119.800 -0.396 0.000 2.294 100 Q HA 0.473 4.810 4.340 -0.006 0.000 0.257 100 Q C -1.390 174.467 176.000 -0.238 0.000 0.955 100 Q CA -0.418 55.230 55.803 -0.259 0.000 0.936 100 Q CB 1.084 29.668 28.738 -0.257 0.000 1.188 100 Q HN 0.794 nan 8.270 nan 0.000 0.420 101 L N 5.770 126.948 121.223 -0.074 0.000 2.307 101 L HA 0.602 4.938 4.340 -0.006 0.000 0.284 101 L C -0.641 176.425 176.870 0.326 0.000 1.023 101 L CA -0.875 54.004 54.840 0.065 0.000 0.810 101 L CB 0.684 42.809 42.059 0.110 0.000 1.231 101 L HN 0.685 nan 8.230 nan 0.000 0.423 102 W N 2.509 123.858 121.300 0.082 0.000 3.032 102 W HA 0.527 5.187 4.660 -0.001 0.000 0.341 102 W C -1.626 174.896 176.519 0.006 0.000 1.202 102 W CA -1.107 56.308 57.345 0.116 0.000 1.132 102 W CB 0.603 30.067 29.460 0.007 0.000 1.465 102 W HN 0.411 nan 8.180 nan 0.000 0.576 103 H N 1.447 120.574 119.070 0.094 0.000 2.744 103 H HA 0.239 4.789 4.556 -0.010 0.000 0.339 103 H C 0.816 176.017 175.328 -0.212 0.000 1.004 103 H CA 0.393 56.350 56.048 -0.150 0.000 1.257 103 H CB 2.111 31.848 29.762 -0.043 0.000 1.552 103 H HN 0.591 nan 8.280 nan 0.000 0.522 104 T N 1.296 115.643 114.554 -0.345 0.000 3.035 104 T HA 0.148 4.495 4.350 -0.006 0.000 0.268 104 T C 1.398 176.217 174.700 0.198 0.000 1.109 104 T CA 0.735 62.716 62.100 -0.197 0.000 1.119 104 T CB -0.019 68.576 68.868 -0.456 0.000 0.900 104 T HN 0.847 nan 8.240 nan 0.000 0.503 105 G N 3.222 112.233 108.800 0.352 0.000 2.611 105 G HA2 -0.458 3.498 3.960 -0.006 0.000 0.301 105 G HA3 -0.458 3.498 3.960 -0.006 0.000 0.301 105 G C 0.871 175.838 174.900 0.111 0.000 1.233 105 G CA 0.825 46.054 45.100 0.215 0.000 0.993 105 G HN 0.844 nan 8.290 nan 0.000 0.553 106 R N 0.449 120.987 120.500 0.063 0.000 2.285 106 R HA 0.195 4.532 4.340 -0.006 0.000 0.213 106 R C 1.355 177.662 176.300 0.012 0.000 1.068 106 R CA 1.185 57.295 56.100 0.017 0.000 1.004 106 R CB -0.246 30.047 30.300 -0.011 0.000 0.873 106 R HN 0.481 nan 8.270 nan 0.000 0.467 107 I N 1.898 122.498 120.570 0.050 0.000 2.206 107 I HA 0.123 4.289 4.170 -0.006 0.000 0.292 107 I C -0.115 175.981 176.117 -0.035 0.000 1.156 107 I CA -0.194 61.132 61.300 0.042 0.000 1.356 107 I CB 0.351 38.450 38.000 0.167 0.000 1.494 107 I HN 0.182 nan 8.210 nan 0.000 0.601 108 S N 3.541 119.199 115.700 -0.070 0.000 2.703 108 S HA 0.519 4.986 4.470 -0.006 0.000 0.273 108 S C -1.646 172.943 174.600 -0.018 0.000 1.178 108 S CA -0.564 57.580 58.200 -0.093 0.000 0.838 108 S CB 1.623 64.784 63.200 -0.066 0.000 1.178 108 S HN 0.617 nan 8.310 nan 0.000 0.494 109 H N -0.211 118.793 119.070 -0.109 0.000 2.894 109 H HA 0.488 5.043 4.556 -0.002 0.000 0.367 109 H C 1.001 176.295 175.328 -0.057 0.000 1.144 109 H CA 0.171 56.172 56.048 -0.080 0.000 1.180 109 H CB 1.907 31.617 29.762 -0.086 0.000 1.758 109 H HN 0.541 nan 8.280 nan 0.000 0.541 110 S N 1.670 117.132 115.700 -0.397 0.000 2.400 110 S HA -0.228 4.239 4.470 -0.006 0.000 0.232 110 S C 1.991 176.569 174.600 -0.037 0.000 1.025 110 S CA 1.311 59.393 58.200 -0.196 0.000 0.993 110 S CB -0.572 62.487 63.200 -0.235 0.000 0.808 110 S HN 0.637 nan 8.310 nan 0.000 0.478 111 S N 2.602 118.385 115.700 0.139 0.000 2.469 111 S HA 0.004 4.471 4.470 -0.006 0.000 0.238 111 S C 1.616 176.275 174.600 0.099 0.000 0.998 111 S CA 0.839 59.144 58.200 0.174 0.000 0.957 111 S CB -1.018 62.346 63.200 0.273 0.000 0.764 111 S HN 0.909 nan 8.310 nan 0.000 0.514 112 I N -2.731 117.892 120.570 0.088 0.000 3.974 112 I HA 0.374 4.541 4.170 -0.006 0.000 0.334 112 I C 0.013 176.139 176.117 0.016 0.000 1.437 112 I CA -0.680 60.647 61.300 0.045 0.000 1.113 112 I CB 0.055 38.080 38.000 0.042 0.000 1.063 112 I HN 0.039 nan 8.210 nan 0.000 0.400 113 Q N 2.452 122.254 119.800 0.002 0.000 2.221 113 Q HA 0.475 4.812 4.340 -0.006 0.000 0.242 113 Q C -2.393 173.597 176.000 -0.016 0.000 0.940 113 Q CA -1.754 54.037 55.803 -0.021 0.000 0.896 113 Q CB 1.082 29.801 28.738 -0.031 0.000 1.226 113 Q HN 0.052 nan 8.270 nan 0.000 0.463 114 P HA 0.015 nan 4.420 nan 0.000 0.264 114 P C 0.420 177.712 177.300 -0.015 0.000 1.193 114 P CA 0.930 64.018 63.100 -0.019 0.000 0.763 114 P CB 0.298 31.980 31.700 -0.030 0.000 0.810 115 G N 3.157 111.952 108.800 -0.008 0.000 2.196 115 G HA2 -0.210 3.747 3.960 -0.006 0.000 0.268 115 G HA3 -0.210 3.747 3.960 -0.006 0.000 0.268 115 G C 0.901 175.795 174.900 -0.010 0.000 0.975 115 G CA 0.545 45.641 45.100 -0.008 0.000 0.648 115 G HN 1.062 nan 8.290 nan 0.000 0.538 116 G N -1.569 107.226 108.800 -0.010 0.000 2.179 116 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.257 116 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.257 116 G C 0.351 175.232 174.900 -0.032 0.000 1.010 116 G CA 1.278 46.370 45.100 -0.013 0.000 0.736 116 G HN 1.046 nan 8.290 nan 0.000 0.513 117 Q N -0.413 119.367 119.800 -0.033 0.000 2.199 117 Q HA 0.710 5.047 4.340 -0.006 0.000 0.232 117 Q C 0.790 176.757 176.000 -0.055 0.000 0.969 117 Q CA 0.029 55.808 55.803 -0.040 0.000 0.925 117 Q CB 0.868 29.589 28.738 -0.028 0.000 1.198 117 Q HN 0.864 nan 8.270 nan 0.000 0.494 118 A N 2.604 125.389 122.820 -0.058 0.000 2.498 118 A HA 0.322 4.638 4.320 -0.006 0.000 0.239 118 A C -1.868 175.690 177.584 -0.044 0.000 1.068 118 A CA -0.688 51.309 52.037 -0.067 0.000 0.766 118 A CB -0.679 18.286 19.000 -0.059 0.000 1.003 118 A HN 0.419 nan 8.150 nan 0.000 0.497 119 P HA 0.357 nan 4.420 nan 0.000 0.274 119 P C -0.239 177.065 177.300 0.007 0.000 1.256 119 P CA -0.121 62.974 63.100 -0.009 0.000 0.795 119 P CB 0.799 32.490 31.700 -0.014 0.000 1.038 120 V N -2.943 116.999 119.914 0.046 0.000 2.850 120 V HA 0.889 5.005 4.120 -0.006 0.000 0.315 120 V C -0.091 176.014 176.094 0.019 0.000 1.064 120 V CA -0.509 61.807 62.300 0.026 0.000 0.979 120 V CB 1.159 33.000 31.823 0.030 0.000 1.039 120 V HN 0.821 nan 8.190 nan 0.000 0.452 121 S N 0.817 116.511 115.700 -0.009 0.000 2.703 121 S HA 0.731 5.198 4.470 -0.006 0.000 0.273 121 S C 0.889 175.407 174.600 -0.137 0.000 1.178 121 S CA 0.192 58.371 58.200 -0.035 0.000 0.838 121 S CB 1.063 64.224 63.200 -0.064 0.000 1.178 121 S HN 1.774 nan 8.310 nan 0.000 0.494 122 A N 0.776 123.344 122.820 -0.420 0.000 1.930 122 A HA 0.398 4.714 4.320 -0.006 0.000 0.217 122 A C 0.883 178.225 177.584 -0.404 0.000 1.175 122 A CA 1.361 52.866 52.037 -0.887 0.000 0.627 122 A CB -0.570 17.609 19.000 -1.368 0.000 0.815 122 A HN 0.693 nan 8.150 nan 0.000 0.443 123 S N -3.139 112.404 115.700 -0.262 0.000 2.661 123 S HA 0.615 5.082 4.470 -0.006 0.000 0.285 123 S C -0.321 174.214 174.600 -0.107 0.000 1.138 123 S CA -0.088 58.018 58.200 -0.157 0.000 0.855 123 S CB 1.816 64.929 63.200 -0.144 0.000 1.136 123 S HN 0.731 nan 8.310 nan 0.000 0.484 124 A N 1.797 124.570 122.820 -0.078 0.000 3.126 124 A HA 0.584 4.901 4.320 -0.006 0.000 0.268 124 A C -0.634 176.917 177.584 -0.056 0.000 1.605 124 A CA -0.108 51.893 52.037 -0.060 0.000 1.305 124 A CB -1.021 17.950 19.000 -0.047 0.000 1.160 124 A HN 0.566 nan 8.150 nan 0.000 0.609 125 L N 0.704 121.890 121.223 -0.062 0.000 2.381 125 L HA 0.343 4.680 4.340 -0.006 0.000 0.274 125 L C 0.085 176.926 176.870 -0.049 0.000 0.988 125 L CA -0.738 54.069 54.840 -0.054 0.000 0.824 125 L CB 1.932 43.954 42.059 -0.061 0.000 1.263 125 L HN 0.557 nan 8.230 nan 0.000 0.410 126 N N 1.070 119.746 118.700 -0.040 0.000 2.492 126 N HA 0.162 4.899 4.740 -0.006 0.000 0.260 126 N C 0.963 176.453 175.510 -0.032 0.000 1.215 126 N CA 0.459 53.488 53.050 -0.035 0.000 0.923 126 N CB 1.524 39.994 38.487 -0.029 0.000 1.092 126 N HN 0.777 nan 8.380 nan 0.000 0.448 127 A N 3.149 125.952 122.820 -0.029 0.000 2.119 127 A HA -0.079 4.237 4.320 -0.006 0.000 0.217 127 A C 0.436 178.009 177.584 -0.018 0.000 1.153 127 A CA 0.520 52.542 52.037 -0.026 0.000 0.692 127 A CB -0.351 18.636 19.000 -0.022 0.000 0.799 127 A HN 0.918 nan 8.150 nan 0.000 0.458 128 N N -0.610 118.082 118.700 -0.014 0.000 2.740 128 N HA -0.136 4.601 4.740 -0.006 0.000 0.248 128 N C 0.100 175.610 175.510 -0.001 0.000 1.062 128 N CA 1.486 54.531 53.050 -0.008 0.000 0.704 128 N CB -1.651 36.830 38.487 -0.010 0.000 0.968 128 N HN 0.654 nan 8.380 nan 0.000 0.547 129 T N -1.503 113.052 114.554 0.001 0.000 2.590 129 T HA 0.693 5.039 4.350 -0.006 0.000 0.282 129 T C -0.834 173.869 174.700 0.005 0.000 0.989 129 T CA -0.504 61.602 62.100 0.010 0.000 1.091 129 T CB 1.448 70.329 68.868 0.021 0.000 1.460 129 T HN 0.184 nan 8.240 nan 0.000 0.499 130 R N 0.126 120.630 120.500 0.007 0.000 2.854 130 R HA 0.711 5.047 4.340 -0.006 0.000 0.271 130 R C -0.914 175.354 176.300 -0.054 0.000 0.994 130 R CA -0.683 55.406 56.100 -0.018 0.000 0.945 130 R CB 2.072 32.365 30.300 -0.011 0.000 1.194 130 R HN 0.625 nan 8.270 nan 0.000 0.476 131 T N -1.083 113.386 114.554 -0.142 0.000 2.807 131 T HA 0.456 4.803 4.350 -0.006 0.000 0.277 131 T C -0.987 173.566 174.700 -0.246 0.000 1.006 131 T CA -0.513 61.373 62.100 -0.357 0.000 1.006 131 T CB 1.553 70.075 68.868 -0.576 0.000 1.274 131 T HN 0.339 nan 8.240 nan 0.000 0.569 132 S N 1.239 116.780 115.700 -0.265 0.000 2.456 132 S HA 0.723 5.190 4.470 -0.006 0.000 0.316 132 S C -0.697 173.879 174.600 -0.039 0.000 1.089 132 S CA -0.756 57.416 58.200 -0.047 0.000 1.101 132 S CB -0.232 63.032 63.200 0.106 0.000 0.995 132 S HN 0.523 nan 8.310 nan 0.000 0.468 133 L N 3.670 124.853 121.223 -0.065 0.000 2.391 133 L HA 0.721 5.058 4.340 -0.006 0.000 0.266 133 L C 0.195 177.053 176.870 -0.021 0.000 1.035 133 L CA -1.326 53.478 54.840 -0.059 0.000 0.877 133 L CB 1.145 43.119 42.059 -0.142 0.000 1.504 133 L HN 0.464 nan 8.230 nan 0.000 0.503 134 R N -0.127 120.361 120.500 -0.020 0.000 2.686 134 R HA 0.306 4.643 4.340 -0.006 0.000 0.286 134 R C -1.423 174.866 176.300 -0.017 0.000 0.969 134 R CA -0.775 55.321 56.100 -0.006 0.000 0.898 134 R CB 2.034 32.339 30.300 0.008 0.000 1.183 134 R HN 0.645 nan 8.270 nan 0.000 0.456 135 D N 0.642 121.035 120.400 -0.012 0.000 2.478 135 D HA -0.052 4.584 4.640 -0.006 0.000 0.269 135 D C 0.959 177.254 176.300 -0.008 0.000 1.232 135 D CA -0.482 53.510 54.000 -0.014 0.000 1.059 135 D CB 0.435 41.228 40.800 -0.011 0.000 1.104 135 D HN 0.531 nan 8.370 nan 0.000 0.566 136 E N -0.230 119.966 120.200 -0.007 0.000 2.267 136 E HA -0.243 4.104 4.350 -0.006 0.000 0.197 136 E C 0.203 176.801 176.600 -0.003 0.000 0.998 136 E CA 0.952 57.349 56.400 -0.004 0.000 0.830 136 E CB -0.532 29.166 29.700 -0.004 0.000 0.751 136 E HN 0.400 nan 8.360 nan 0.000 0.491 137 N N 0.294 118.992 118.700 -0.003 0.000 2.230 137 N HA 0.107 4.844 4.740 -0.006 0.000 0.202 137 N C 0.861 176.370 175.510 -0.002 0.000 1.119 137 N CA 0.742 53.791 53.050 -0.002 0.000 0.851 137 N CB 1.237 39.723 38.487 -0.002 0.000 0.990 137 N HN 0.430 nan 8.380 nan 0.000 0.497 138 G N 0.922 109.722 108.800 -0.001 0.000 2.159 138 G HA2 -0.246 3.710 3.960 -0.006 0.000 0.256 138 G HA3 -0.246 3.710 3.960 -0.006 0.000 0.256 138 G C -0.080 174.822 174.900 0.003 0.000 0.977 138 G CA -0.326 44.774 45.100 0.000 0.000 0.652 138 G HN 0.275 nan 8.290 nan 0.000 0.531 139 N N 0.907 119.610 118.700 0.005 0.000 2.518 139 N HA 0.566 5.303 4.740 -0.006 0.000 0.283 139 N C 0.578 176.099 175.510 0.018 0.000 1.119 139 N CA 0.498 53.555 53.050 0.012 0.000 0.983 139 N CB 1.390 39.883 38.487 0.010 0.000 1.139 139 N HN 0.652 nan 8.380 nan 0.000 0.465 140 A N 2.114 124.955 122.820 0.036 0.000 2.477 140 A HA 0.432 4.748 4.320 -0.006 0.000 0.246 140 A C 0.449 178.050 177.584 0.028 0.000 1.078 140 A CA -0.140 51.925 52.037 0.046 0.000 0.770 140 A CB -0.358 18.697 19.000 0.092 0.000 1.011 140 A HN 0.723 nan 8.150 nan 0.000 0.494 141 I N -0.395 120.178 120.570 0.005 0.000 2.769 141 I HA 0.624 4.791 4.170 -0.006 0.000 0.298 141 I C -0.556 175.539 176.117 -0.035 0.000 1.128 141 I CA -1.236 60.056 61.300 -0.013 0.000 1.031 141 I CB 1.950 39.933 38.000 -0.029 0.000 1.235 141 I HN 0.389 nan 8.210 nan 0.000 0.423 142 R N 3.820 124.301 120.500 -0.031 0.000 2.308 142 R HA 0.722 5.059 4.340 -0.006 0.000 0.305 142 R C -0.967 175.295 176.300 -0.063 0.000 1.053 142 R CA -0.743 55.331 56.100 -0.043 0.000 0.957 142 R CB 1.740 32.030 30.300 -0.017 0.000 1.022 142 R HN 0.604 nan 8.270 nan 0.000 0.461 143 V N 2.435 122.294 119.914 -0.090 0.000 2.808 143 V HA 0.131 4.248 4.120 -0.006 0.000 0.308 143 V C -0.441 175.622 176.094 -0.051 0.000 1.099 143 V CA -1.178 61.061 62.300 -0.102 0.000 0.920 143 V CB 2.593 34.273 31.823 -0.238 0.000 1.014 143 V HN 0.588 nan 8.190 nan 0.000 0.425 144 D N 2.729 123.127 120.400 -0.003 0.000 2.472 144 D HA 0.199 4.836 4.640 -0.006 0.000 0.237 144 D C 0.721 177.065 176.300 0.074 0.000 1.141 144 D CA 0.381 54.397 54.000 0.025 0.000 0.875 144 D CB 1.005 41.822 40.800 0.028 0.000 1.192 144 D HN 0.807 nan 8.370 nan 0.000 0.450 145 T N -0.566 114.010 114.554 0.036 0.000 2.926 145 T HA 0.221 4.568 4.350 -0.006 0.000 0.307 145 T C 0.432 175.138 174.700 0.010 0.000 1.059 145 T CA -0.689 61.430 62.100 0.032 0.000 1.122 145 T CB 0.505 69.368 68.868 -0.009 0.000 0.972 145 T HN 0.127 nan 8.240 nan 0.000 0.545 146 T N 3.077 117.607 114.554 -0.040 0.000 2.869 146 T HA 0.286 4.632 4.350 -0.006 0.000 0.295 146 T C 0.589 175.244 174.700 -0.076 0.000 0.987 146 T CA -0.448 61.583 62.100 -0.115 0.000 1.109 146 T CB 0.560 69.284 68.868 -0.241 0.000 0.932 146 T HN 0.750 nan 8.240 nan 0.000 0.518 147 T N 6.789 121.302 114.554 -0.068 0.000 2.867 147 T HA 0.199 4.546 4.350 -0.006 0.000 0.297 147 T C -1.782 172.885 174.700 -0.056 0.000 0.989 147 T CA -0.690 61.378 62.100 -0.053 0.000 1.159 147 T CB 0.271 69.111 68.868 -0.046 0.000 0.928 147 T HN 0.444 nan 8.240 nan 0.000 0.538 148 P HA 0.310 nan 4.420 nan 0.000 0.278 148 P C -0.603 176.672 177.300 -0.041 0.000 1.266 148 P CA -0.868 62.207 63.100 -0.042 0.000 0.807 148 P CB 1.087 32.766 31.700 -0.035 0.000 1.094 149 R N 0.705 121.185 120.500 -0.034 0.000 2.407 149 R HA 0.602 4.939 4.340 -0.006 0.000 0.303 149 R C -0.466 175.814 176.300 -0.033 0.000 0.981 149 R CA -0.701 55.380 56.100 -0.031 0.000 0.905 149 R CB 0.878 31.164 30.300 -0.024 0.000 1.099 149 R HN 0.551 nan 8.270 nan 0.000 0.459 150 A N 5.317 128.113 122.820 -0.039 0.000 2.450 150 A HA 0.240 4.557 4.320 -0.006 0.000 0.255 150 A C 0.046 177.617 177.584 -0.023 0.000 1.096 150 A CA -0.472 51.537 52.037 -0.048 0.000 0.778 150 A CB 0.211 19.178 19.000 -0.055 0.000 1.031 150 A HN 0.779 nan 8.150 nan 0.000 0.494 151 L N 2.712 123.931 121.223 -0.006 0.000 2.490 151 L HA 0.072 4.409 4.340 -0.006 0.000 0.274 151 L C 0.723 177.599 176.870 0.011 0.000 1.201 151 L CA -0.055 54.795 54.840 0.017 0.000 0.869 151 L CB 0.328 42.426 42.059 0.065 0.000 1.123 151 L HN 0.674 nan 8.230 nan 0.000 0.484 152 E N 2.234 122.435 120.200 0.002 0.000 2.373 152 E HA -0.005 4.342 4.350 -0.006 0.000 0.263 152 E C 0.770 177.370 176.600 0.000 0.000 1.073 152 E CA -0.498 55.905 56.400 0.005 0.000 0.894 152 E CB 1.239 30.941 29.700 0.003 0.000 1.008 152 E HN 0.425 nan 8.360 nan 0.000 0.420 153 L N 2.737 123.971 121.223 0.018 0.000 2.043 153 L HA -0.231 4.105 4.340 -0.006 0.000 0.212 153 L C 1.534 178.403 176.870 -0.001 0.000 1.075 153 L CA 2.344 57.197 54.840 0.023 0.000 0.752 153 L CB -0.594 41.510 42.059 0.075 0.000 0.891 153 L HN 0.567 nan 8.230 nan 0.000 0.432 154 D N -1.722 118.683 120.400 0.008 0.000 2.378 154 D HA -0.154 4.483 4.640 -0.006 0.000 0.227 154 D C 1.501 177.794 176.300 -0.011 0.000 1.012 154 D CA 0.705 54.708 54.000 0.005 0.000 0.905 154 D CB -0.380 40.427 40.800 0.012 0.000 0.895 154 D HN 0.563 nan 8.370 nan 0.000 0.532 155 E N -0.342 119.842 120.200 -0.026 0.000 2.452 155 E HA 0.049 4.395 4.350 -0.006 0.000 0.197 155 E C 1.714 178.277 176.600 -0.063 0.000 1.022 155 E CA -0.258 56.123 56.400 -0.031 0.000 0.890 155 E CB 0.341 30.028 29.700 -0.022 0.000 0.918 155 E HN 0.220 nan 8.360 nan 0.000 0.496 156 I N 1.335 121.836 120.570 -0.115 0.000 2.179 156 I HA -0.154 4.012 4.170 -0.006 0.000 0.242 156 I C -0.671 175.379 176.117 -0.112 0.000 1.088 156 I CA 1.248 62.426 61.300 -0.204 0.000 1.357 156 I CB -2.215 35.526 38.000 -0.432 0.000 1.051 156 I HN 0.009 nan 8.210 nan 0.000 0.409 157 P HA -0.113 nan 4.420 nan 0.000 0.218 157 P C 1.745 179.046 177.300 0.003 0.000 1.148 157 P CA 1.651 64.746 63.100 -0.008 0.000 0.822 157 P CB -0.215 31.491 31.700 0.009 0.000 0.784 158 G N -0.237 108.560 108.800 -0.006 0.000 2.422 158 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.218 158 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.218 158 G C 1.423 176.334 174.900 0.019 0.000 1.146 158 G CA 0.415 45.518 45.100 0.005 0.000 0.769 158 G HN 0.143 nan 8.290 nan 0.000 0.547 159 I N 0.950 121.525 120.570 0.009 0.000 2.179 159 I HA -0.107 4.059 4.170 -0.006 0.000 0.242 159 I C 2.969 179.189 176.117 0.171 0.000 1.088 159 I CA 0.734 62.065 61.300 0.052 0.000 1.357 159 I CB -1.114 36.875 38.000 -0.019 0.000 1.051 159 I HN 0.032 nan 8.210 nan 0.000 0.409 160 V N 1.439 121.421 119.914 0.114 0.000 2.343 160 V HA -0.292 3.825 4.120 -0.006 0.000 0.247 160 V C 2.309 178.500 176.094 0.161 0.000 1.051 160 V CA 2.246 64.634 62.300 0.147 0.000 1.036 160 V CB -1.056 30.798 31.823 0.052 0.000 0.654 160 V HN 0.434 nan 8.190 nan 0.000 0.451 161 N N 0.313 119.070 118.700 0.095 0.000 2.223 161 N HA -0.182 4.555 4.740 -0.006 0.000 0.185 161 N C 1.461 177.017 175.510 0.077 0.000 1.016 161 N CA 1.525 54.620 53.050 0.076 0.000 0.863 161 N CB -0.197 38.317 38.487 0.044 0.000 0.983 161 N HN 0.453 nan 8.380 nan 0.000 0.429 162 D N -0.675 119.761 120.400 0.061 0.000 2.144 162 D HA -0.113 4.524 4.640 -0.006 0.000 0.200 162 D C 1.486 177.780 176.300 -0.010 0.000 0.978 162 D CA 0.778 54.774 54.000 -0.006 0.000 0.833 162 D CB -0.349 40.406 40.800 -0.075 0.000 0.961 162 D HN 0.307 nan 8.370 nan 0.000 0.470 163 F N 1.176 121.152 119.950 0.045 0.000 2.146 163 F HA -0.059 4.465 4.527 -0.005 0.000 0.298 163 F C 2.544 178.367 175.800 0.039 0.000 1.096 163 F CA 0.884 58.912 58.000 0.046 0.000 1.275 163 F CB -0.206 38.815 39.000 0.035 0.000 1.008 163 F HN -0.158 nan 8.300 nan 0.000 0.480 164 R N 0.242 120.876 120.500 0.223 0.000 2.083 164 R HA -0.252 4.084 4.340 -0.006 0.000 0.237 164 R C 2.255 178.611 176.300 0.094 0.000 1.137 164 R CA 1.963 58.145 56.100 0.137 0.000 0.951 164 R CB -0.434 29.926 30.300 0.100 0.000 0.851 164 R HN 0.220 nan 8.270 nan 0.000 0.434 165 Q N 0.283 120.126 119.800 0.071 0.000 2.124 165 Q HA -0.055 4.281 4.340 -0.006 0.000 0.202 165 Q C 1.806 177.831 176.000 0.042 0.000 0.977 165 Q CA 2.104 57.933 55.803 0.045 0.000 0.850 165 Q CB -0.292 28.469 28.738 0.037 0.000 0.901 165 Q HN 0.450 nan 8.270 nan 0.000 0.429 166 A N -0.688 122.162 122.820 0.050 0.000 1.933 166 A HA -0.115 4.201 4.320 -0.006 0.000 0.218 166 A C 2.239 179.845 177.584 0.037 0.000 1.175 166 A CA 1.590 53.651 52.037 0.040 0.000 0.628 166 A CB -0.696 18.315 19.000 0.018 0.000 0.814 166 A HN 0.274 nan 8.150 nan 0.000 0.444 167 V N -0.349 119.611 119.914 0.076 0.000 2.453 167 V HA -0.189 3.928 4.120 -0.006 0.000 0.247 167 V C 3.017 179.120 176.094 0.015 0.000 1.048 167 V CA 1.712 64.075 62.300 0.104 0.000 1.049 167 V CB -1.044 30.888 31.823 0.181 0.000 0.672 167 V HN 0.608 nan 8.190 nan 0.000 0.457 168 A N 0.548 123.356 122.820 -0.020 0.000 1.902 168 A HA -0.217 4.100 4.320 -0.006 0.000 0.217 168 A C 2.041 179.548 177.584 -0.128 0.000 1.181 168 A CA 2.014 53.982 52.037 -0.115 0.000 0.623 168 A CB -0.621 18.342 19.000 -0.061 0.000 0.818 168 A HN 0.589 nan 8.150 nan 0.000 0.443 169 N N 0.580 119.253 118.700 -0.046 0.000 2.188 169 N HA -0.075 4.662 4.740 -0.006 0.000 0.184 169 N C 1.839 177.348 175.510 -0.001 0.000 1.018 169 N CA 1.523 54.564 53.050 -0.015 0.000 0.858 169 N CB -0.627 37.878 38.487 0.030 0.000 0.989 169 N HN 0.467 nan 8.380 nan 0.000 0.426 170 A N 1.297 124.120 122.820 0.004 0.000 1.902 170 A HA -0.151 4.166 4.320 -0.006 0.000 0.217 170 A C 2.268 179.903 177.584 0.085 0.000 1.181 170 A CA 1.415 53.522 52.037 0.116 0.000 0.623 170 A CB -0.513 18.512 19.000 0.041 0.000 0.818 170 A HN 0.262 nan 8.150 nan 0.000 0.443 171 R N -0.237 120.095 120.500 -0.280 0.000 2.073 171 R HA -0.198 4.138 4.340 -0.006 0.000 0.234 171 R C 2.214 178.339 176.300 -0.292 0.000 1.134 171 R CA 1.931 57.618 56.100 -0.690 0.000 0.952 171 R CB -0.318 29.172 30.300 -1.351 0.000 0.850 171 R HN 0.702 nan 8.270 nan 0.000 0.433 172 E N -0.291 119.789 120.200 -0.200 0.000 2.150 172 E HA -0.143 4.203 4.350 -0.006 0.000 0.193 172 E C 1.497 178.070 176.600 -0.045 0.000 0.985 172 E CA 1.050 57.387 56.400 -0.106 0.000 0.814 172 E CB -0.082 29.574 29.700 -0.074 0.000 0.752 172 E HN 0.494 nan 8.360 nan 0.000 0.466 173 A N -0.010 122.809 122.820 -0.002 0.000 2.216 173 A HA 0.125 4.441 4.320 -0.006 0.000 0.214 173 A C 1.787 179.290 177.584 -0.136 0.000 1.160 173 A CA 1.118 53.152 52.037 -0.005 0.000 0.725 173 A CB -0.608 18.458 19.000 0.111 0.000 0.784 173 A HN 0.530 nan 8.150 nan 0.000 0.472 174 G N -2.502 106.258 108.800 -0.066 0.000 2.157 174 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.239 174 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.239 174 G C 0.010 174.921 174.900 0.019 0.000 0.982 174 G CA -0.008 45.076 45.100 -0.027 0.000 0.650 174 G HN 0.303 nan 8.290 nan 0.000 0.527 175 F N 1.524 121.534 119.950 0.099 0.000 2.506 175 F HA 0.315 4.839 4.527 -0.005 0.000 0.351 175 F C 1.617 177.564 175.800 0.244 0.000 1.136 175 F CA 0.337 58.396 58.000 0.099 0.000 1.298 175 F CB 0.583 39.583 39.000 -0.000 0.000 1.145 175 F HN -0.004 nan 8.300 nan 0.000 0.593 176 D N 1.678 122.294 120.400 0.360 0.000 2.249 176 D HA 0.096 4.733 4.640 -0.006 0.000 0.205 176 D C 0.342 176.677 176.300 0.059 0.000 0.962 176 D CA 1.215 55.342 54.000 0.213 0.000 0.860 176 D CB 0.437 41.319 40.800 0.137 0.000 0.955 176 D HN 0.227 nan 8.370 nan 0.000 0.505 177 L N -0.590 120.674 121.223 0.069 0.000 2.630 177 L HA 0.396 4.732 4.340 -0.006 0.000 0.258 177 L C -0.950 175.892 176.870 -0.046 0.000 1.072 177 L CA -1.186 53.598 54.840 -0.093 0.000 0.885 177 L CB 2.542 44.565 42.059 -0.060 0.000 1.502 177 L HN -0.278 nan 8.230 nan 0.000 0.406 178 V N -2.026 117.818 119.914 -0.117 0.000 2.735 178 V HA 0.676 4.792 4.120 -0.006 0.000 0.310 178 V C -1.008 174.983 176.094 -0.171 0.000 1.061 178 V CA -0.496 61.726 62.300 -0.129 0.000 0.913 178 V CB 1.875 33.677 31.823 -0.035 0.000 1.005 178 V HN 0.835 nan 8.190 nan 0.000 0.428 179 E N 3.719 123.831 120.200 -0.148 0.000 2.185 179 E HA 0.536 4.883 4.350 -0.006 0.000 0.261 179 E C -1.223 175.333 176.600 -0.074 0.000 0.879 179 E CA -0.809 55.514 56.400 -0.129 0.000 0.756 179 E CB 1.694 31.391 29.700 -0.005 0.000 1.152 179 E HN 0.865 nan 8.360 nan 0.000 0.416 180 L N 4.283 125.463 121.223 -0.071 0.000 2.360 180 L HA 0.132 4.468 4.340 -0.006 0.000 0.276 180 L C 0.439 177.354 176.870 0.074 0.000 1.121 180 L CA -0.415 54.438 54.840 0.021 0.000 0.845 180 L CB 0.264 42.275 42.059 -0.080 0.000 1.143 180 L HN 0.528 nan 8.230 nan 0.000 0.452 181 H N 2.938 122.061 119.070 0.089 0.000 3.118 181 H HA 0.074 4.628 4.556 -0.004 0.000 0.266 181 H C 0.377 175.774 175.328 0.115 0.000 1.465 181 H CA -0.041 56.059 56.048 0.086 0.000 1.460 181 H CB 0.796 30.672 29.762 0.189 0.000 1.661 181 H HN 0.532 nan 8.280 nan 0.000 0.516 182 S N 2.961 118.797 115.700 0.226 0.000 2.561 182 S HA 0.569 5.036 4.470 -0.006 0.000 0.245 182 S C 0.098 174.695 174.600 -0.006 0.000 1.001 182 S CA 0.068 58.328 58.200 0.100 0.000 1.002 182 S CB -0.516 62.678 63.200 -0.010 0.000 0.805 182 S HN 0.748 nan 8.310 nan 0.000 0.458 183 A N -0.059 122.810 122.820 0.082 0.000 2.486 183 A HA 0.720 5.037 4.320 -0.006 0.000 0.277 183 A C -0.038 177.562 177.584 0.026 0.000 1.282 183 A CA -0.569 51.305 52.037 -0.273 0.000 0.784 183 A CB 0.102 18.750 19.000 -0.586 0.000 1.350 183 A HN 0.672 nan 8.150 nan 0.000 0.454 184 H N -1.051 118.011 119.070 -0.014 0.000 2.731 184 H HA -0.213 4.340 4.556 -0.006 0.000 0.305 184 H C 1.251 176.566 175.328 -0.021 0.000 1.132 184 H CA 1.097 57.239 56.048 0.158 0.000 1.148 184 H CB -1.431 28.554 29.762 0.371 0.000 1.379 184 H HN 2.240 nan 8.280 nan 0.000 0.398 185 G N -1.842 107.189 108.800 0.386 0.000 2.148 185 G HA2 -0.369 3.588 3.960 -0.006 0.000 0.254 185 G HA3 -0.369 3.588 3.960 -0.006 0.000 0.254 185 G C 0.035 174.820 174.900 -0.192 0.000 0.981 185 G CA 0.580 45.691 45.100 0.019 0.000 0.670 185 G HN 0.519 nan 8.290 nan 0.000 0.528 186 Y N -1.277 119.135 120.300 0.188 0.000 2.314 186 Y HA 0.573 5.119 4.550 -0.007 0.000 0.359 186 Y C 1.838 177.822 175.900 0.140 0.000 1.360 186 Y CA -0.495 57.664 58.100 0.098 0.000 1.697 186 Y CB -0.273 38.178 38.460 -0.016 0.000 1.630 186 Y HN 0.025 nan 8.280 nan 0.000 0.583 187 L N 0.366 121.787 121.223 0.330 0.000 1.978 187 L HA -0.268 4.068 4.340 -0.006 0.000 0.218 187 L C 1.925 178.983 176.870 0.313 0.000 1.075 187 L CA 1.830 56.831 54.840 0.268 0.000 0.767 187 L CB -0.997 41.158 42.059 0.161 0.000 0.890 187 L HN 0.691 nan 8.230 nan 0.000 0.434 188 L N -1.652 119.736 121.223 0.275 0.000 2.042 188 L HA -0.293 4.043 4.340 -0.006 0.000 0.210 188 L C 2.613 179.655 176.870 0.286 0.000 1.076 188 L CA 1.832 56.795 54.840 0.205 0.000 0.749 188 L CB -0.888 41.236 42.059 0.109 0.000 0.893 188 L HN 0.503 nan 8.230 nan 0.000 0.432 189 H N -0.206 118.955 119.070 0.152 0.000 2.423 189 H HA -0.150 4.403 4.556 -0.006 0.000 0.297 189 H C 2.298 177.701 175.328 0.125 0.000 1.075 189 H CA 0.983 57.100 56.048 0.115 0.000 1.342 189 H CB 0.373 30.179 29.762 0.073 0.000 1.395 189 H HN 0.422 nan 8.280 nan 0.000 0.530 190 Q N -0.426 119.472 119.800 0.164 0.000 2.170 190 Q HA -0.157 4.179 4.340 -0.006 0.000 0.203 190 Q C 1.705 177.718 176.000 0.022 0.000 0.976 190 Q CA 1.581 57.400 55.803 0.028 0.000 0.858 190 Q CB 0.037 28.801 28.738 0.043 0.000 0.907 190 Q HN 0.438 nan 8.270 nan 0.000 0.433 191 F N -0.249 119.722 119.950 0.035 0.000 2.234 191 F HA -0.053 4.468 4.527 -0.010 0.000 0.296 191 F C 1.819 177.659 175.800 0.065 0.000 1.089 191 F CA 0.684 58.715 58.000 0.052 0.000 1.343 191 F CB -0.009 39.036 39.000 0.075 0.000 1.040 191 F HN 0.004 nan 8.300 nan 0.000 0.498 192 L N -1.108 120.281 121.223 0.276 0.000 2.083 192 L HA -0.137 4.200 4.340 -0.006 0.000 0.209 192 L C 1.279 178.229 176.870 0.132 0.000 1.083 192 L CA 0.718 55.690 54.840 0.218 0.000 0.752 192 L CB -0.463 41.766 42.059 0.283 0.000 0.899 192 L HN -0.021 nan 8.230 nan 0.000 0.433 193 S N -0.850 114.875 115.700 0.040 0.000 2.513 193 S HA 0.204 4.671 4.470 -0.006 0.000 0.276 193 S C -1.630 172.948 174.600 -0.035 0.000 1.254 193 S CA -1.524 56.657 58.200 -0.031 0.000 1.053 193 S CB 1.292 64.381 63.200 -0.184 0.000 0.958 193 S HN -0.123 nan 8.310 nan 0.000 0.491 194 P HA -0.089 nan 4.420 nan 0.000 0.220 194 P C 1.581 178.855 177.300 -0.044 0.000 1.148 194 P CA 0.999 64.083 63.100 -0.025 0.000 0.803 194 P CB -0.022 31.671 31.700 -0.013 0.000 0.782 195 S N -0.804 114.867 115.700 -0.048 0.000 2.419 195 S HA -0.110 4.357 4.470 -0.006 0.000 0.233 195 S C 1.765 176.323 174.600 -0.071 0.000 1.016 195 S CA 1.596 59.764 58.200 -0.052 0.000 0.974 195 S CB -1.282 61.890 63.200 -0.047 0.000 0.786 195 S HN 0.247 nan 8.310 nan 0.000 0.492 196 S N 0.060 115.703 115.700 -0.095 0.000 2.559 196 S HA 0.329 4.795 4.470 -0.006 0.000 0.226 196 S C 0.100 174.610 174.600 -0.150 0.000 1.000 196 S CA -0.607 57.524 58.200 -0.115 0.000 0.948 196 S CB -0.244 62.879 63.200 -0.128 0.000 0.870 196 S HN 0.426 nan 8.310 nan 0.000 0.497 197 N N 1.861 120.481 118.700 -0.134 0.000 2.531 197 N HA 0.312 5.049 4.740 -0.006 0.000 0.268 197 N C -0.663 174.784 175.510 -0.105 0.000 1.023 197 N CA -0.177 52.773 53.050 -0.167 0.000 0.896 197 N CB 1.574 39.971 38.487 -0.151 0.000 1.233 197 N HN 0.278 nan 8.380 nan 0.000 0.512 198 Q N 1.657 121.393 119.800 -0.105 0.000 2.157 198 Q HA 0.270 4.606 4.340 -0.006 0.000 0.229 198 Q C -0.186 175.782 176.000 -0.053 0.000 0.827 198 Q CA -0.311 55.452 55.803 -0.066 0.000 1.055 198 Q CB 0.982 29.684 28.738 -0.059 0.000 1.157 198 Q HN 0.341 nan 8.270 nan 0.000 0.482 199 R N 0.721 121.185 120.500 -0.059 0.000 2.679 199 R HA 0.026 4.362 4.340 -0.006 0.000 0.268 199 R C 1.095 177.399 176.300 0.008 0.000 1.044 199 R CA 0.906 56.994 56.100 -0.020 0.000 1.105 199 R CB 0.337 30.642 30.300 0.009 0.000 0.989 199 R HN 0.127 nan 8.270 nan 0.000 0.447 200 T N -3.210 111.355 114.554 0.019 0.000 3.085 200 T HA 0.039 4.385 4.350 -0.006 0.000 0.264 200 T C 0.151 174.872 174.700 0.034 0.000 1.019 200 T CA -0.439 61.672 62.100 0.019 0.000 0.910 200 T CB -0.141 68.732 68.868 0.009 0.000 1.059 200 T HN 0.645 nan 8.240 nan 0.000 0.542 201 D N 1.303 121.744 120.400 0.067 0.000 2.530 201 D HA 0.074 4.710 4.640 -0.006 0.000 0.282 201 D C 1.545 177.885 176.300 0.067 0.000 1.204 201 D CA -0.705 53.346 54.000 0.085 0.000 1.093 201 D CB 0.283 41.170 40.800 0.146 0.000 1.154 201 D HN 0.101 nan 8.370 nan 0.000 0.593 202 Q N -0.916 118.903 119.800 0.033 0.000 2.515 202 Q HA -0.123 4.213 4.340 -0.006 0.000 0.212 202 Q C 0.229 176.073 176.000 -0.260 0.000 0.970 202 Q CA 0.966 56.694 55.803 -0.125 0.000 0.941 202 Q CB -0.533 28.078 28.738 -0.211 0.000 0.998 202 Q HN 0.612 nan 8.270 nan 0.000 0.518 203 Y N 0.289 120.648 120.300 0.098 0.000 2.555 203 Y HA 0.487 5.036 4.550 -0.001 0.000 0.259 203 Y C 1.026 177.024 175.900 0.163 0.000 1.179 203 Y CA 0.055 58.260 58.100 0.175 0.000 1.230 203 Y CB 1.145 39.787 38.460 0.302 0.000 1.146 203 Y HN 0.182 nan 8.280 nan 0.000 0.526 204 G N -1.806 107.086 108.800 0.154 0.000 2.672 204 G HA2 0.534 4.491 3.960 -0.006 0.000 0.292 204 G HA3 0.534 4.491 3.960 -0.006 0.000 0.292 204 G C 0.094 175.011 174.900 0.030 0.000 1.375 204 G CA -0.177 44.971 45.100 0.081 0.000 0.890 204 G HN 0.341 nan 8.290 nan 0.000 0.476 205 G N 0.089 108.895 108.800 0.010 0.000 3.110 205 G HA2 0.104 4.060 3.960 -0.006 0.000 0.238 205 G HA3 0.104 4.060 3.960 -0.006 0.000 0.238 205 G C 0.984 175.873 174.900 -0.019 0.000 1.647 205 G CA 0.685 45.780 45.100 -0.008 0.000 1.146 205 G HN 2.302 nan 8.290 nan 0.000 0.545 206 S N 0.425 116.103 115.700 -0.036 0.000 2.580 206 S HA 0.434 4.900 4.470 -0.006 0.000 0.266 206 S C 1.512 176.067 174.600 -0.074 0.000 1.354 206 S CA 0.660 58.820 58.200 -0.066 0.000 1.008 206 S CB 1.693 64.841 63.200 -0.087 0.000 0.898 206 S HN 1.958 nan 8.310 nan 0.000 0.555 207 V N 1.368 121.205 119.914 -0.128 0.000 2.490 207 V HA -0.123 3.994 4.120 -0.006 0.000 0.250 207 V C 2.254 178.251 176.094 -0.163 0.000 1.061 207 V CA 2.377 64.598 62.300 -0.132 0.000 1.064 207 V CB -1.145 30.557 31.823 -0.201 0.000 0.670 207 V HN 0.947 nan 8.190 nan 0.000 0.461 208 E N 0.606 120.638 120.200 -0.280 0.000 2.077 208 E HA -0.175 4.172 4.350 -0.006 0.000 0.193 208 E C 2.041 178.628 176.600 -0.021 0.000 0.989 208 E CA 1.716 58.022 56.400 -0.158 0.000 0.800 208 E CB -0.329 29.277 29.700 -0.157 0.000 0.746 208 E HN 0.598 nan 8.360 nan 0.000 0.452 209 N N 0.155 118.827 118.700 -0.046 0.000 2.171 209 N HA -0.051 4.686 4.740 -0.006 0.000 0.184 209 N C 1.531 177.076 175.510 0.057 0.000 1.021 209 N CA 0.831 53.857 53.050 -0.039 0.000 0.854 209 N CB -0.077 38.388 38.487 -0.037 0.000 0.994 209 N HN 0.071 nan 8.380 nan 0.000 0.426 210 R N 0.259 120.812 120.500 0.088 0.000 2.115 210 R HA 0.082 4.418 4.340 -0.006 0.000 0.230 210 R C 1.584 178.007 176.300 0.205 0.000 1.111 210 R CA 1.189 57.391 56.100 0.169 0.000 0.976 210 R CB -0.121 30.250 30.300 0.118 0.000 0.870 210 R HN 0.158 nan 8.270 nan 0.000 0.445 211 A N 0.503 123.426 122.820 0.172 0.000 2.218 211 A HA 0.015 4.332 4.320 -0.006 0.000 0.209 211 A C 1.885 179.546 177.584 0.128 0.000 1.168 211 A CA -0.005 52.139 52.037 0.179 0.000 0.804 211 A CB -0.203 18.962 19.000 0.274 0.000 0.834 211 A HN 0.157 nan 8.150 nan 0.000 0.482 212 R N -0.489 120.074 120.500 0.105 0.000 2.096 212 R HA -0.192 4.145 4.340 -0.006 0.000 0.240 212 R C 1.988 178.348 176.300 0.100 0.000 1.139 212 R CA 1.968 58.094 56.100 0.043 0.000 0.952 212 R CB -0.395 29.811 30.300 -0.157 0.000 0.854 212 R HN 0.463 nan 8.270 nan 0.000 0.436 213 L N 0.383 121.698 121.223 0.153 0.000 1.994 213 L HA -0.137 4.200 4.340 -0.006 0.000 0.208 213 L C 2.241 179.050 176.870 -0.101 0.000 1.071 213 L CA 1.712 56.544 54.840 -0.013 0.000 0.745 213 L CB -0.837 40.985 42.059 -0.395 0.000 0.892 213 L HN 0.102 nan 8.230 nan 0.000 0.431 214 V N -0.475 119.387 119.914 -0.087 0.000 2.392 214 V HA -0.267 3.849 4.120 -0.006 0.000 0.249 214 V C 2.462 178.488 176.094 -0.113 0.000 1.059 214 V CA 2.124 64.346 62.300 -0.130 0.000 1.051 214 V CB -0.253 31.529 31.823 -0.069 0.000 0.658 214 V HN 0.525 nan 8.190 nan 0.000 0.455 215 L N -0.474 120.718 121.223 -0.051 0.000 2.156 215 L HA -0.105 4.232 4.340 -0.006 0.000 0.208 215 L C 2.554 179.398 176.870 -0.043 0.000 1.095 215 L CA 1.643 56.456 54.840 -0.045 0.000 0.770 215 L CB -0.544 41.504 42.059 -0.017 0.000 0.914 215 L HN 0.389 nan 8.230 nan 0.000 0.439 216 E N -0.351 119.831 120.200 -0.029 0.000 2.106 216 E HA -0.162 4.185 4.350 -0.006 0.000 0.192 216 E C 2.282 178.852 176.600 -0.050 0.000 0.984 216 E CA 1.026 57.417 56.400 -0.015 0.000 0.806 216 E CB 0.026 29.742 29.700 0.027 0.000 0.750 216 E HN 0.266 nan 8.360 nan 0.000 0.458 217 V N 0.878 120.719 119.914 -0.121 0.000 2.358 217 V HA -0.215 3.902 4.120 -0.006 0.000 0.246 217 V C 2.331 178.340 176.094 -0.142 0.000 1.047 217 V CA 1.202 63.386 62.300 -0.192 0.000 1.035 217 V CB -0.281 31.244 31.823 -0.496 0.000 0.658 217 V HN 0.125 nan 8.190 nan 0.000 0.452 218 V N 0.220 120.053 119.914 -0.135 0.000 2.287 218 V HA -0.271 3.845 4.120 -0.006 0.000 0.248 218 V C 2.308 178.373 176.094 -0.049 0.000 1.053 218 V CA 2.251 64.494 62.300 -0.095 0.000 1.027 218 V CB -0.692 31.079 31.823 -0.087 0.000 0.646 218 V HN 0.565 nan 8.190 nan 0.000 0.447 219 D N 0.264 120.642 120.400 -0.037 0.000 2.117 219 D HA -0.119 4.517 4.640 -0.006 0.000 0.197 219 D C 2.230 178.532 176.300 0.003 0.000 0.987 219 D CA 1.641 55.633 54.000 -0.014 0.000 0.829 219 D CB -0.258 40.537 40.800 -0.008 0.000 0.961 219 D HN 0.450 nan 8.370 nan 0.000 0.460 220 A N 0.849 123.672 122.820 0.005 0.000 1.902 220 A HA -0.138 4.179 4.320 -0.006 0.000 0.217 220 A C 2.479 180.093 177.584 0.050 0.000 1.181 220 A CA 2.021 54.076 52.037 0.030 0.000 0.623 220 A CB -0.740 18.283 19.000 0.039 0.000 0.818 220 A HN 0.241 nan 8.150 nan 0.000 0.443 221 V N -3.363 116.577 119.914 0.045 0.000 2.719 221 V HA -0.168 3.948 4.120 -0.006 0.000 0.252 221 V C 2.228 178.373 176.094 0.085 0.000 1.065 221 V CA 1.596 63.944 62.300 0.080 0.000 1.086 221 V CB -1.592 30.273 31.823 0.070 0.000 0.700 221 V HN 0.517 nan 8.190 nan 0.000 0.467 222 C N 1.252 120.575 119.300 0.038 0.000 2.440 222 C HA -0.089 4.368 4.460 -0.006 0.000 0.278 222 C C 2.802 177.827 174.990 0.058 0.000 1.295 222 C CA 1.643 60.678 59.018 0.027 0.000 1.738 222 C CB -1.608 26.129 27.740 -0.005 0.000 1.987 222 C HN 0.801 nan 8.230 nan 0.000 0.492 223 N N 0.943 119.676 118.700 0.055 0.000 2.216 223 N HA -0.144 4.592 4.740 -0.006 0.000 0.183 223 N C 1.743 177.303 175.510 0.083 0.000 1.017 223 N CA 1.449 54.534 53.050 0.058 0.000 0.861 223 N CB -0.208 38.304 38.487 0.041 0.000 0.986 223 N HN 0.484 nan 8.380 nan 0.000 0.428 224 E N -0.232 120.028 120.200 0.100 0.000 2.047 224 E HA -0.119 4.228 4.350 -0.006 0.000 0.191 224 E C 1.159 177.860 176.600 0.169 0.000 0.987 224 E CA 1.230 57.694 56.400 0.107 0.000 0.799 224 E CB -0.232 29.530 29.700 0.102 0.000 0.752 224 E HN 0.432 nan 8.360 nan 0.000 0.449 225 W N -0.572 120.730 121.300 0.003 0.000 4.432 225 W HA 0.548 5.204 4.660 -0.006 0.000 0.381 225 W C -0.194 176.322 176.519 -0.005 0.000 3.372 225 W CA 0.441 57.786 57.345 0.000 0.000 1.285 225 W CB 0.054 29.513 29.460 -0.001 0.000 2.109 225 W HN -0.083 nan 8.180 nan 0.000 0.373 226 S N -0.889 114.893 115.700 0.138 0.000 2.537 226 S HA 0.511 4.978 4.470 -0.006 0.000 0.271 226 S C 0.333 174.843 174.600 -0.151 0.000 1.148 226 S CA 0.039 58.209 58.200 -0.050 0.000 0.868 226 S CB 1.143 64.272 63.200 -0.118 0.000 1.115 226 S HN 0.540 nan 8.310 nan 0.000 0.461 227 A N 2.322 125.083 122.820 -0.097 0.000 1.940 227 A HA -0.099 4.218 4.320 -0.006 0.000 0.219 227 A C 1.428 178.920 177.584 -0.154 0.000 1.176 227 A CA 2.237 54.211 52.037 -0.105 0.000 0.631 227 A CB -0.819 18.140 19.000 -0.068 0.000 0.814 227 A HN 0.945 nan 8.150 nan 0.000 0.446 228 D N -1.524 118.772 120.400 -0.173 0.000 2.338 228 D HA -0.056 4.581 4.640 -0.006 0.000 0.239 228 D C 1.246 177.379 176.300 -0.279 0.000 1.095 228 D CA 0.268 54.160 54.000 -0.179 0.000 0.888 228 D CB -0.198 40.519 40.800 -0.137 0.000 0.899 228 D HN 0.318 nan 8.370 nan 0.000 0.525 229 R N -0.138 120.111 120.500 -0.420 0.000 2.476 229 R HA 0.233 4.570 4.340 -0.006 0.000 0.276 229 R C 0.001 176.037 176.300 -0.440 0.000 0.941 229 R CA -0.281 55.439 56.100 -0.633 0.000 1.088 229 R CB 1.034 30.487 30.300 -1.412 0.000 1.216 229 R HN 0.182 nan 8.270 nan 0.000 0.533 230 I N 0.686 121.067 120.570 -0.316 0.000 2.354 230 I HA 0.429 4.596 4.170 -0.006 0.000 0.292 230 I C 0.693 176.571 176.117 -0.398 0.000 0.989 230 I CA -0.755 60.379 61.300 -0.278 0.000 1.188 230 I CB 1.167 39.061 38.000 -0.177 0.000 1.342 230 I HN -0.057 nan 8.210 nan 0.000 0.457 231 G N 5.909 114.353 108.800 -0.595 0.000 2.569 231 G HA2 0.812 4.769 3.960 -0.006 0.000 0.300 231 G HA3 0.812 4.769 3.960 -0.006 0.000 0.300 231 G C -1.495 173.055 174.900 -0.583 0.000 1.269 231 G CA -0.557 43.867 45.100 -1.127 0.000 0.959 231 G HN 0.539 nan 8.290 nan 0.000 0.478 232 I N -0.303 120.017 120.570 -0.416 0.000 2.656 232 I HA 0.606 4.773 4.170 -0.006 0.000 0.292 232 I C -0.864 175.211 176.117 -0.069 0.000 1.144 232 I CA -1.090 60.099 61.300 -0.184 0.000 1.038 232 I CB 2.207 40.107 38.000 -0.168 0.000 1.244 232 I HN 0.504 nan 8.210 nan 0.000 0.420 233 R N 6.725 127.171 120.500 -0.090 0.000 2.338 233 R HA 0.756 5.092 4.340 -0.006 0.000 0.317 233 R C -1.457 174.719 176.300 -0.207 0.000 0.968 233 R CA -0.531 55.463 56.100 -0.177 0.000 0.849 233 R CB 1.633 31.700 30.300 -0.389 0.000 1.128 233 R HN 0.514 nan 8.270 nan 0.000 0.448 234 V N 0.518 120.297 119.914 -0.224 0.000 3.001 234 V HA 0.703 4.820 4.120 -0.006 0.000 0.314 234 V C -0.520 175.382 176.094 -0.320 0.000 1.099 234 V CA -0.757 61.394 62.300 -0.248 0.000 0.989 234 V CB 2.168 33.903 31.823 -0.148 0.000 1.040 234 V HN 0.836 nan 8.190 nan 0.000 0.434 235 S N 0.375 115.794 115.700 -0.469 0.000 2.359 235 S HA 0.464 4.931 4.470 -0.006 0.000 0.148 235 S C -1.860 172.513 174.600 -0.379 0.000 1.610 235 S CA -0.538 57.285 58.200 -0.629 0.000 1.274 235 S CB 1.096 63.444 63.200 -1.419 0.000 1.380 235 S HN 0.779 nan 8.310 nan 0.000 0.380 236 P HA 0.205 nan 4.420 nan 0.000 0.236 236 P C -0.157 177.241 177.300 0.163 0.000 1.177 236 P CA 0.256 63.411 63.100 0.092 0.000 0.773 236 P CB 0.152 31.913 31.700 0.103 0.000 0.878 237 I N 0.122 120.837 120.570 0.242 0.000 2.410 237 I HA 0.536 4.703 4.170 -0.006 0.000 0.286 237 I C 1.012 177.353 176.117 0.374 0.000 1.009 237 I CA -0.090 61.307 61.300 0.162 0.000 1.111 237 I CB 0.538 38.462 38.000 -0.128 0.000 1.262 237 I HN 0.157 nan 8.210 nan 0.000 0.443 238 G N 5.350 114.293 108.800 0.239 0.000 2.526 238 G HA2 -0.104 3.853 3.960 -0.006 0.000 0.250 238 G HA3 -0.104 3.853 3.960 -0.006 0.000 0.250 238 G C -0.683 174.321 174.900 0.173 0.000 1.289 238 G CA -0.882 44.304 45.100 0.144 0.000 0.947 238 G HN 0.538 nan 8.290 nan 0.000 0.517 239 T N 0.611 115.105 114.554 -0.100 0.000 2.807 239 T HA 0.682 5.029 4.350 -0.006 0.000 0.279 239 T C -1.072 173.442 174.700 -0.310 0.000 0.993 239 T CA -0.039 62.045 62.100 -0.027 0.000 0.970 239 T CB 1.111 69.955 68.868 -0.040 0.000 0.950 239 T HN 0.578 nan 8.240 nan 0.000 0.441 240 F N 1.641 121.674 119.950 0.140 0.000 2.536 240 F HA 0.381 4.905 4.527 -0.006 0.000 0.322 240 F C 0.783 176.634 175.800 0.085 0.000 1.144 240 F CA -1.046 57.035 58.000 0.134 0.000 0.924 240 F CB 1.606 40.754 39.000 0.247 0.000 1.181 240 F HN 0.552 nan 8.300 nan 0.000 0.438 241 Q N 3.113 123.010 119.800 0.161 0.000 2.423 241 Q HA -0.336 4.001 4.340 -0.006 0.000 0.332 241 Q C 0.015 176.050 176.000 0.058 0.000 1.355 241 Q CA 0.745 56.605 55.803 0.095 0.000 0.947 241 Q CB -1.091 27.697 28.738 0.084 0.000 1.189 241 Q HN 0.853 nan 8.270 nan 0.000 0.418 242 N N -3.177 115.551 118.700 0.046 0.000 2.936 242 N HA -0.159 4.578 4.740 -0.006 0.000 0.236 242 N C -0.787 174.732 175.510 0.015 0.000 0.930 242 N CA 1.251 54.314 53.050 0.020 0.000 0.966 242 N CB -0.866 37.624 38.487 0.004 0.000 1.090 242 N HN 0.268 nan 8.380 nan 0.000 0.592 243 V N 2.189 122.131 119.914 0.047 0.000 2.334 243 V HA 0.262 4.379 4.120 -0.006 0.000 0.281 243 V C 0.404 176.545 176.094 0.079 0.000 1.016 243 V CA -0.845 61.448 62.300 -0.011 0.000 0.832 243 V CB 1.624 33.363 31.823 -0.141 0.000 0.999 243 V HN 0.220 nan 8.190 nan 0.000 0.439 244 D N 3.636 124.063 120.400 0.044 0.000 2.478 244 D HA 0.172 4.809 4.640 -0.006 0.000 0.274 244 D C 0.258 176.622 176.300 0.107 0.000 1.234 244 D CA -0.774 53.289 54.000 0.105 0.000 1.069 244 D CB 0.713 41.545 40.800 0.053 0.000 1.113 244 D HN 0.266 nan 8.370 nan 0.000 0.571 245 N N -1.095 117.687 118.700 0.138 0.000 2.282 245 N HA 0.330 5.067 4.740 -0.006 0.000 0.240 245 N C 0.387 175.943 175.510 0.076 0.000 1.182 245 N CA 0.387 53.522 53.050 0.141 0.000 0.874 245 N CB 0.865 39.472 38.487 0.202 0.000 1.126 245 N HN 0.764 nan 8.380 nan 0.000 0.516 246 G N 2.264 111.089 108.800 0.042 0.000 2.757 246 G HA2 -0.189 3.767 3.960 -0.006 0.000 0.638 246 G HA3 -0.189 3.767 3.960 -0.006 0.000 0.638 246 G C -2.001 172.908 174.900 0.014 0.000 1.344 246 G CA -0.595 44.518 45.100 0.021 0.000 0.855 246 G HN 0.051 nan 8.290 nan 0.000 0.537 247 P HA 0.059 nan 4.420 nan 0.000 0.241 247 P C 0.495 177.792 177.300 -0.004 0.000 1.191 247 P CA 0.949 64.047 63.100 -0.002 0.000 0.771 247 P CB 0.008 31.705 31.700 -0.005 0.000 0.929 248 N N 0.062 118.763 118.700 0.001 0.000 2.610 248 N HA 0.034 4.770 4.740 -0.006 0.000 0.307 248 N C 1.090 176.607 175.510 0.011 0.000 1.813 248 N CA -0.281 52.770 53.050 0.002 0.000 0.901 248 N CB 0.286 38.775 38.487 0.002 0.000 1.354 248 N HN 0.188 nan 8.380 nan 0.000 0.491 249 E N 0.689 120.891 120.200 0.003 0.000 2.097 249 E HA -0.340 4.006 4.350 -0.006 0.000 0.196 249 E C 1.455 178.052 176.600 -0.005 0.000 1.000 249 E CA 1.215 57.622 56.400 0.010 0.000 0.804 249 E CB 0.012 29.712 29.700 -0.001 0.000 0.740 249 E HN 0.554 nan 8.360 nan 0.000 0.454 250 E N 1.226 121.390 120.200 -0.059 0.000 2.031 250 E HA -0.218 4.129 4.350 -0.006 0.000 0.193 250 E C 2.167 178.828 176.600 0.101 0.000 0.994 250 E CA 1.304 57.679 56.400 -0.042 0.000 0.800 250 E CB -0.230 29.409 29.700 -0.101 0.000 0.752 250 E HN 0.354 nan 8.360 nan 0.000 0.447 251 A N 1.127 123.990 122.820 0.071 0.000 1.877 251 A HA -0.223 4.093 4.320 -0.006 0.000 0.216 251 A C 1.854 179.513 177.584 0.125 0.000 1.186 251 A CA 1.977 54.069 52.037 0.092 0.000 0.620 251 A CB -0.662 18.370 19.000 0.054 0.000 0.822 251 A HN 0.316 nan 8.150 nan 0.000 0.443 252 D N -0.012 120.452 120.400 0.106 0.000 2.144 252 D HA -0.021 4.616 4.640 -0.006 0.000 0.199 252 D C 2.194 178.610 176.300 0.194 0.000 0.984 252 D CA 1.429 55.513 54.000 0.141 0.000 0.834 252 D CB -0.398 40.462 40.800 0.099 0.000 0.955 252 D HN 0.432 nan 8.370 nan 0.000 0.465 253 A N 0.587 123.507 122.820 0.166 0.000 1.877 253 A HA -0.106 4.210 4.320 -0.006 0.000 0.216 253 A C 2.337 180.011 177.584 0.151 0.000 1.186 253 A CA 0.872 53.013 52.037 0.173 0.000 0.620 253 A CB -0.767 18.376 19.000 0.239 0.000 0.822 253 A HN 0.211 nan 8.150 nan 0.000 0.443 254 L N -1.905 119.419 121.223 0.169 0.000 2.083 254 L HA -0.193 4.144 4.340 -0.006 0.000 0.209 254 L C 2.608 179.530 176.870 0.088 0.000 1.083 254 L CA 1.749 56.651 54.840 0.103 0.000 0.752 254 L CB -0.699 41.428 42.059 0.113 0.000 0.899 254 L HN 0.633 nan 8.230 nan 0.000 0.433 255 Y N 0.830 121.154 120.300 0.040 0.000 2.145 255 Y HA -0.287 4.259 4.550 -0.006 0.000 0.286 255 Y C 2.385 178.300 175.900 0.025 0.000 1.145 255 Y CA 1.635 59.753 58.100 0.030 0.000 1.148 255 Y CB -0.264 38.214 38.460 0.029 0.000 0.981 255 Y HN 0.033 nan 8.280 nan 0.000 0.507 256 L N 0.583 121.767 121.223 -0.065 0.000 2.046 256 L HA -0.189 4.148 4.340 -0.006 0.000 0.208 256 L C 2.208 178.979 176.870 -0.165 0.000 1.077 256 L CA 1.850 56.602 54.840 -0.146 0.000 0.747 256 L CB -0.875 41.202 42.059 0.029 0.000 0.896 256 L HN 0.403 nan 8.230 nan 0.000 0.432 257 I N -0.679 119.833 120.570 -0.096 0.000 2.226 257 I HA -0.268 3.898 4.170 -0.006 0.000 0.245 257 I C 2.394 178.476 176.117 -0.059 0.000 1.100 257 I CA 1.306 62.556 61.300 -0.084 0.000 1.374 257 I CB -0.362 37.591 38.000 -0.080 0.000 1.057 257 I HN 0.357 nan 8.210 nan 0.000 0.413 258 E N 0.449 120.586 120.200 -0.104 0.000 2.110 258 E HA -0.213 4.134 4.350 -0.006 0.000 0.193 258 E C 2.101 178.624 176.600 -0.129 0.000 0.988 258 E CA 0.915 57.257 56.400 -0.096 0.000 0.804 258 E CB 0.022 29.668 29.700 -0.091 0.000 0.745 258 E HN 0.399 nan 8.360 nan 0.000 0.458 259 E N 0.655 120.700 120.200 -0.258 0.000 2.072 259 E HA -0.138 4.208 4.350 -0.006 0.000 0.191 259 E C 2.280 178.817 176.600 -0.105 0.000 0.985 259 E CA 0.636 56.896 56.400 -0.234 0.000 0.801 259 E CB -0.161 29.304 29.700 -0.391 0.000 0.750 259 E HN 0.309 nan 8.360 nan 0.000 0.452 260 L N 0.506 121.687 121.223 -0.070 0.000 2.083 260 L HA -0.152 4.185 4.340 -0.006 0.000 0.209 260 L C 2.527 179.464 176.870 0.113 0.000 1.083 260 L CA 1.082 55.932 54.840 0.017 0.000 0.752 260 L CB -0.528 41.537 42.059 0.009 0.000 0.899 260 L HN 0.054 nan 8.230 nan 0.000 0.433 261 A N 0.167 123.067 122.820 0.132 0.000 1.978 261 A HA -0.224 4.093 4.320 -0.006 0.000 0.220 261 A C 2.276 179.868 177.584 0.013 0.000 1.170 261 A CA 1.608 53.685 52.037 0.067 0.000 0.636 261 A CB -0.356 18.639 19.000 -0.008 0.000 0.810 261 A HN 0.348 nan 8.150 nan 0.000 0.448 262 K N -0.931 119.472 120.400 0.005 0.000 2.209 262 K HA -0.119 4.198 4.320 -0.006 0.000 0.204 262 K C 1.867 178.460 176.600 -0.011 0.000 1.048 262 K CA 1.325 57.609 56.287 -0.004 0.000 0.940 262 K CB -0.090 32.399 32.500 -0.018 0.000 0.729 262 K HN 0.224 nan 8.250 nan 0.000 0.451 263 R N -0.319 120.175 120.500 -0.009 0.000 2.275 263 R HA 0.054 4.391 4.340 -0.006 0.000 0.199 263 R C 0.843 177.127 176.300 -0.027 0.000 0.989 263 R CA 0.638 56.729 56.100 -0.016 0.000 1.016 263 R CB -0.055 30.237 30.300 -0.014 0.000 0.918 263 R HN 0.333 nan 8.270 nan 0.000 0.473 264 G N 1.864 110.641 108.800 -0.038 0.000 2.305 264 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.287 264 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.287 264 G C 0.326 175.183 174.900 -0.071 0.000 1.036 264 G CA 0.581 45.634 45.100 -0.078 0.000 0.887 264 G HN 0.478 nan 8.290 nan 0.000 0.505 265 I N -3.184 117.374 120.570 -0.020 0.000 3.004 265 I HA 0.626 4.793 4.170 -0.006 0.000 0.287 265 I C 1.651 177.782 176.117 0.024 0.000 1.144 265 I CA -0.272 61.024 61.300 -0.007 0.000 1.353 265 I CB 0.410 38.419 38.000 0.015 0.000 1.417 265 I HN 0.149 nan 8.210 nan 0.000 0.602 266 A N 3.112 125.919 122.820 -0.023 0.000 1.877 266 A HA -0.023 4.294 4.320 -0.006 0.000 0.216 266 A C 0.699 178.440 177.584 0.262 0.000 1.186 266 A CA 1.980 54.042 52.037 0.043 0.000 0.620 266 A CB -0.685 18.302 19.000 -0.021 0.000 0.822 266 A HN 0.958 nan 8.150 nan 0.000 0.443 267 Y N -4.554 115.863 120.300 0.195 0.000 2.656 267 Y HA 0.652 5.199 4.550 -0.005 0.000 0.334 267 Y C -1.474 174.433 175.900 0.011 0.000 1.179 267 Y CA -2.418 55.819 58.100 0.229 0.000 1.050 267 Y CB 0.701 39.218 38.460 0.095 0.000 1.308 267 Y HN 0.148 nan 8.280 nan 0.000 0.456 268 L N 3.060 124.330 121.223 0.078 0.000 2.343 268 L HA 0.497 4.834 4.340 -0.006 0.000 0.278 268 L C -1.430 175.468 176.870 0.047 0.000 0.996 268 L CA -0.360 54.305 54.840 -0.292 0.000 0.831 268 L CB 1.079 42.497 42.059 -1.068 0.000 1.232 268 L HN 0.932 nan 8.230 nan 0.000 0.413 269 H N 6.016 125.110 119.070 0.040 0.000 2.581 269 H HA 0.489 5.042 4.556 -0.005 0.000 0.308 269 H C -0.964 174.318 175.328 -0.076 0.000 1.040 269 H CA -0.835 55.208 56.048 -0.009 0.000 1.231 269 H CB 0.907 30.720 29.762 0.086 0.000 1.396 269 H HN 0.611 nan 8.280 nan 0.000 0.467 270 M N 4.168 123.870 119.600 0.171 0.000 2.061 270 M HA 0.097 4.574 4.480 -0.006 0.000 0.346 270 M C -0.015 176.314 176.300 0.048 0.000 1.112 270 M CA -0.434 54.911 55.300 0.075 0.000 1.021 270 M CB 1.606 34.286 32.600 0.132 0.000 1.530 270 M HN 0.428 nan 8.290 nan 0.000 0.437 271 S N 2.758 118.431 115.700 -0.044 0.000 2.400 271 S HA 0.150 4.617 4.470 -0.006 0.000 0.295 271 S C 0.864 175.566 174.600 0.170 0.000 1.113 271 S CA -0.390 57.835 58.200 0.041 0.000 1.064 271 S CB 0.280 63.520 63.200 0.065 0.000 0.990 271 S HN 0.741 nan 8.310 nan 0.000 0.502 272 E N 2.730 123.011 120.200 0.135 0.000 2.158 272 E HA 0.024 4.370 4.350 -0.006 0.000 0.191 272 E C 0.659 177.466 176.600 0.345 0.000 0.982 272 E CA 0.470 56.906 56.400 0.059 0.000 0.823 272 E CB 0.300 29.765 29.700 -0.393 0.000 0.766 272 E HN 0.595 nan 8.360 nan 0.000 0.468 273 T N -0.358 114.412 114.554 0.361 0.000 2.894 273 T HA 0.063 4.410 4.350 -0.006 0.000 0.309 273 T C -1.575 173.237 174.700 0.188 0.000 1.208 273 T CA -1.043 61.176 62.100 0.198 0.000 1.016 273 T CB 1.781 70.689 68.868 0.068 0.000 1.192 273 T HN -0.058 nan 8.240 nan 0.000 0.491 274 D N 2.040 122.298 120.400 -0.236 0.000 2.360 274 D HA 0.137 4.774 4.640 -0.006 0.000 0.242 274 D C 1.538 177.828 176.300 -0.018 0.000 1.184 274 D CA -0.301 53.609 54.000 -0.151 0.000 0.930 274 D CB 0.959 41.539 40.800 -0.368 0.000 1.161 274 D HN 0.587 nan 8.370 nan 0.000 0.447 275 L N 1.826 123.068 121.223 0.031 0.000 2.187 275 L HA -0.173 4.163 4.340 -0.006 0.000 0.213 275 L C 2.308 179.204 176.870 0.043 0.000 1.100 275 L CA 1.243 56.122 54.840 0.065 0.000 0.765 275 L CB -0.337 41.785 42.059 0.106 0.000 0.904 275 L HN 0.429 nan 8.230 nan 0.000 0.437 276 A N -0.356 122.469 122.820 0.009 0.000 2.238 276 A HA 0.404 4.720 4.320 -0.006 0.000 0.208 276 A C 1.165 178.737 177.584 -0.020 0.000 1.177 276 A CA 0.732 52.769 52.037 0.000 0.000 0.804 276 A CB -0.382 18.613 19.000 -0.009 0.000 0.823 276 A HN 0.474 nan 8.150 nan 0.000 0.482 277 G N -3.027 105.752 108.800 -0.036 0.000 2.612 277 G HA2 0.496 4.452 3.960 -0.006 0.000 0.686 277 G HA3 0.496 4.452 3.960 -0.006 0.000 0.686 277 G C -0.074 174.778 174.900 -0.081 0.000 1.274 277 G CA -0.501 44.577 45.100 -0.037 0.000 0.849 277 G HN 2.014 nan 8.290 nan 0.000 0.595 278 G N -0.846 107.924 108.800 -0.050 0.000 2.368 278 G HA2 0.641 4.598 3.960 -0.006 0.000 0.293 278 G HA3 0.641 4.598 3.960 -0.006 0.000 0.293 278 G C -0.828 174.073 174.900 0.001 0.000 1.467 278 G CA -0.420 44.649 45.100 -0.052 0.000 0.804 278 G HN 0.706 nan 8.290 nan 0.000 0.535 279 K N 1.574 121.983 120.400 0.015 0.000 2.401 279 K HA 0.292 4.609 4.320 -0.006 0.000 0.278 279 K C -1.770 174.887 176.600 0.096 0.000 1.018 279 K CA -0.748 55.561 56.287 0.037 0.000 0.981 279 K CB 0.723 33.235 32.500 0.019 0.000 0.933 279 K HN 0.368 nan 8.250 nan 0.000 0.477 280 P HA 0.007 nan 4.420 nan 0.000 0.274 280 P C -0.914 176.538 177.300 0.254 0.000 1.231 280 P CA -0.199 62.983 63.100 0.137 0.000 0.790 280 P CB 0.413 32.150 31.700 0.061 0.000 0.951 281 Y N 0.550 120.889 120.300 0.065 0.000 2.425 281 Y HA 0.092 4.638 4.550 -0.006 0.000 0.331 281 Y C 1.645 177.611 175.900 0.111 0.000 1.157 281 Y CA -0.452 57.724 58.100 0.127 0.000 1.372 281 Y CB 0.181 38.779 38.460 0.231 0.000 1.253 281 Y HN 0.339 nan 8.280 nan 0.000 0.536 282 S N 1.451 117.294 115.700 0.238 0.000 2.610 282 S HA 0.216 4.683 4.470 -0.006 0.000 0.273 282 S C 0.864 175.582 174.600 0.195 0.000 1.274 282 S CA -0.749 57.550 58.200 0.165 0.000 1.023 282 S CB 1.226 64.492 63.200 0.109 0.000 0.962 282 S HN 0.745 nan 8.310 nan 0.000 0.523 283 E N 1.103 121.381 120.200 0.129 0.000 2.153 283 E HA -0.120 4.226 4.350 -0.006 0.000 0.194 283 E C 2.221 178.879 176.600 0.097 0.000 0.988 283 E CA 1.066 57.530 56.400 0.106 0.000 0.811 283 E CB -0.353 29.387 29.700 0.068 0.000 0.746 283 E HN 0.836 nan 8.360 nan 0.000 0.466 284 A N 0.837 123.718 122.820 0.102 0.000 1.902 284 A HA -0.195 4.121 4.320 -0.006 0.000 0.217 284 A C 1.925 179.579 177.584 0.116 0.000 1.181 284 A CA 1.058 53.149 52.037 0.090 0.000 0.623 284 A CB -0.643 18.408 19.000 0.085 0.000 0.818 284 A HN 0.359 nan 8.150 nan 0.000 0.443 285 F N 0.756 120.705 119.950 -0.001 0.000 2.146 285 F HA -0.097 4.426 4.527 -0.006 0.000 0.298 285 F C 2.331 178.133 175.800 0.002 0.000 1.096 285 F CA 1.552 59.532 58.000 -0.033 0.000 1.275 285 F CB -0.286 38.646 39.000 -0.114 0.000 1.008 285 F HN 0.114 nan 8.300 nan 0.000 0.480 286 R N -0.185 120.310 120.500 -0.009 0.000 2.096 286 R HA -0.166 4.171 4.340 -0.006 0.000 0.235 286 R C 2.232 178.466 176.300 -0.110 0.000 1.127 286 R CA 1.482 57.546 56.100 -0.061 0.000 0.968 286 R CB -0.476 29.882 30.300 0.097 0.000 0.861 286 R HN 0.400 nan 8.270 nan 0.000 0.440 287 Q N 0.702 120.468 119.800 -0.057 0.000 2.079 287 Q HA -0.114 4.223 4.340 -0.006 0.000 0.200 287 Q C 1.889 177.839 176.000 -0.082 0.000 0.974 287 Q CA 1.271 57.047 55.803 -0.045 0.000 0.840 287 Q CB -0.012 28.722 28.738 -0.007 0.000 0.898 287 Q HN 0.367 nan 8.270 nan 0.000 0.430 288 K N 0.092 120.419 120.400 -0.121 0.000 2.148 288 K HA -0.064 4.253 4.320 -0.006 0.000 0.204 288 K C 2.179 178.662 176.600 -0.196 0.000 1.050 288 K CA 0.959 57.169 56.287 -0.127 0.000 0.942 288 K CB 0.040 32.487 32.500 -0.088 0.000 0.724 288 K HN 0.000 nan 8.250 nan 0.000 0.446 289 V N 1.186 120.894 119.914 -0.343 0.000 2.323 289 V HA -0.201 3.916 4.120 -0.006 0.000 0.244 289 V C 2.341 178.353 176.094 -0.137 0.000 1.041 289 V CA 1.574 63.691 62.300 -0.305 0.000 1.025 289 V CB -0.409 31.159 31.823 -0.425 0.000 0.656 289 V HN 0.208 nan 8.190 nan 0.000 0.451 290 R N 1.613 122.050 120.500 -0.105 0.000 2.103 290 R HA -0.216 4.121 4.340 -0.006 0.000 0.242 290 R C 2.191 178.471 176.300 -0.035 0.000 1.142 290 R CA 2.240 58.318 56.100 -0.037 0.000 0.960 290 R CB -0.637 29.647 30.300 -0.026 0.000 0.858 290 R HN 0.792 nan 8.270 nan 0.000 0.439 291 E N -0.764 119.409 120.200 -0.046 0.000 2.482 291 E HA -0.106 4.241 4.350 -0.006 0.000 0.196 291 E C 1.339 177.895 176.600 -0.073 0.000 1.047 291 E CA 0.547 56.929 56.400 -0.031 0.000 0.869 291 E CB 0.006 29.700 29.700 -0.010 0.000 0.836 291 E HN 0.303 nan 8.360 nan 0.000 0.520 292 R N -0.647 119.789 120.500 -0.108 0.000 2.308 292 R HA 0.215 4.551 4.340 -0.006 0.000 0.202 292 R C -0.449 175.710 176.300 -0.235 0.000 0.898 292 R CA -0.089 55.928 56.100 -0.138 0.000 1.046 292 R CB 0.459 30.717 30.300 -0.070 0.000 1.026 292 R HN 0.070 nan 8.270 nan 0.000 0.512 293 F N 0.390 120.090 119.950 -0.417 0.000 2.507 293 F HA 0.309 4.833 4.527 -0.006 0.000 0.325 293 F C 0.509 176.036 175.800 -0.454 0.000 1.116 293 F CA -1.043 56.711 58.000 -0.409 0.000 0.930 293 F CB 1.192 40.075 39.000 -0.195 0.000 1.146 293 F HN -0.025 nan 8.300 nan 0.000 0.447 294 H N 3.640 122.298 119.070 -0.686 0.000 2.549 294 H HA 0.327 4.879 4.556 -0.006 0.000 0.279 294 H C 0.822 175.839 175.328 -0.517 0.000 1.018 294 H CA 0.384 56.156 56.048 -0.461 0.000 1.175 294 H CB 0.277 29.847 29.762 -0.320 0.000 1.485 294 H HN 0.665 nan 8.280 nan 0.000 0.543 295 G N 0.248 108.535 108.800 -0.854 0.000 2.938 295 G HA2 0.382 4.339 3.960 -0.006 0.000 0.258 295 G HA3 0.382 4.339 3.960 -0.006 0.000 0.258 295 G C -0.466 174.519 174.900 0.142 0.000 1.356 295 G CA -0.478 44.438 45.100 -0.307 0.000 1.052 295 G HN 0.040 nan 8.290 nan 0.000 0.550 296 V N 0.425 120.501 119.914 0.269 0.000 2.637 296 V HA 0.237 4.354 4.120 -0.006 0.000 0.296 296 V C 0.075 176.334 176.094 0.276 0.000 1.046 296 V CA 0.311 62.742 62.300 0.220 0.000 1.066 296 V CB 0.958 32.875 31.823 0.156 0.000 0.968 296 V HN 0.351 nan 8.190 nan 0.000 0.483 297 I N 5.953 126.584 120.570 0.101 0.000 2.389 297 I HA 0.463 4.629 4.170 -0.006 0.000 0.288 297 I C -0.478 175.552 176.117 -0.145 0.000 0.999 297 I CA -0.314 60.989 61.300 0.006 0.000 1.129 297 I CB 1.639 39.651 38.000 0.019 0.000 1.288 297 I HN 0.418 nan 8.210 nan 0.000 0.444 298 I N 5.337 125.777 120.570 -0.217 0.000 2.354 298 I HA 0.452 4.618 4.170 -0.006 0.000 0.292 298 I C 0.630 176.566 176.117 -0.303 0.000 0.989 298 I CA -0.405 60.648 61.300 -0.412 0.000 1.188 298 I CB 1.754 39.333 38.000 -0.701 0.000 1.342 298 I HN 0.576 nan 8.210 nan 0.000 0.457 299 G N 4.293 112.843 108.800 -0.416 0.000 2.371 299 G HA2 0.794 4.751 3.960 -0.006 0.000 0.326 299 G HA3 0.794 4.751 3.960 -0.006 0.000 0.326 299 G C -0.997 173.505 174.900 -0.665 0.000 1.127 299 G CA -0.381 44.486 45.100 -0.387 0.000 0.885 299 G HN 0.799 nan 8.290 nan 0.000 0.477 300 A N -0.090 122.556 122.820 -0.290 0.000 2.606 300 A HA 0.978 5.295 4.320 -0.006 0.000 0.293 300 A C -0.040 177.629 177.584 0.142 0.000 1.082 300 A CA -0.111 51.819 52.037 -0.180 0.000 0.685 300 A CB 1.596 20.639 19.000 0.071 0.000 1.284 300 A HN 2.529 nan 8.150 nan 0.000 0.408 301 G N -0.263 108.659 108.800 0.204 0.000 2.551 301 G HA2 0.553 4.510 3.960 -0.006 0.000 0.604 301 G HA3 0.553 4.510 3.960 -0.006 0.000 0.604 301 G C 0.621 175.658 174.900 0.227 0.000 1.116 301 G CA 0.832 46.064 45.100 0.219 0.000 1.285 301 G HN 2.645 nan 8.290 nan 0.000 0.586 302 A N 0.069 123.007 122.820 0.198 0.000 2.783 302 A HA -0.172 4.144 4.320 -0.006 0.000 0.292 302 A C 0.591 178.280 177.584 0.176 0.000 1.495 302 A CA 1.608 53.744 52.037 0.165 0.000 0.787 302 A CB -2.097 16.958 19.000 0.092 0.000 1.017 302 A HN 2.021 nan 8.150 nan 0.000 0.516 303 Y N 0.614 120.946 120.300 0.053 0.000 2.397 303 Y HA 0.431 4.977 4.550 -0.006 0.000 0.335 303 Y C 1.578 177.623 175.900 0.242 0.000 1.213 303 Y CA 1.053 59.186 58.100 0.056 0.000 1.391 303 Y CB 0.791 39.161 38.460 -0.149 0.000 1.293 303 Y HN 0.639 nan 8.280 nan 0.000 0.557 304 T N -1.386 113.341 114.554 0.289 0.000 2.950 304 T HA 0.627 4.974 4.350 -0.006 0.000 0.288 304 T C 0.957 175.842 174.700 0.308 0.000 1.035 304 T CA -0.428 61.819 62.100 0.244 0.000 1.028 304 T CB 1.668 70.594 68.868 0.096 0.000 1.109 304 T HN 0.682 nan 8.240 nan 0.000 0.514 305 A N 0.734 123.680 122.820 0.211 0.000 1.933 305 A HA -0.050 4.267 4.320 -0.006 0.000 0.218 305 A C 2.082 179.743 177.584 0.130 0.000 1.175 305 A CA 1.624 53.774 52.037 0.189 0.000 0.628 305 A CB -1.031 18.013 19.000 0.073 0.000 0.814 305 A HN 0.891 nan 8.150 nan 0.000 0.444 306 E N -0.067 120.186 120.200 0.088 0.000 2.077 306 E HA -0.176 4.170 4.350 -0.006 0.000 0.193 306 E C 1.979 178.606 176.600 0.045 0.000 0.989 306 E CA 1.583 58.015 56.400 0.053 0.000 0.800 306 E CB -0.234 29.486 29.700 0.034 0.000 0.746 306 E HN 0.714 nan 8.360 nan 0.000 0.452 307 K N 0.230 120.656 120.400 0.044 0.000 2.057 307 K HA -0.069 4.248 4.320 -0.006 0.000 0.206 307 K C 2.056 178.701 176.600 0.075 0.000 1.050 307 K CA 1.154 57.434 56.287 -0.012 0.000 0.935 307 K CB -0.124 32.276 32.500 -0.166 0.000 0.715 307 K HN 0.142 nan 8.250 nan 0.000 0.439 308 A N 1.654 124.591 122.820 0.195 0.000 1.877 308 A HA -0.175 4.142 4.320 -0.006 0.000 0.216 308 A C 1.934 179.546 177.584 0.047 0.000 1.186 308 A CA 1.597 53.740 52.037 0.176 0.000 0.620 308 A CB -0.475 18.605 19.000 0.134 0.000 0.822 308 A HN 0.352 nan 8.150 nan 0.000 0.443 309 E N -0.134 120.084 120.200 0.029 0.000 2.077 309 E HA -0.219 4.127 4.350 -0.006 0.000 0.193 309 E C 1.712 178.314 176.600 0.003 0.000 0.989 309 E CA 1.567 57.964 56.400 -0.004 0.000 0.800 309 E CB -0.455 29.248 29.700 0.005 0.000 0.746 309 E HN 0.758 nan 8.360 nan 0.000 0.452 310 D N 0.524 120.933 120.400 0.015 0.000 2.092 310 D HA -0.126 4.510 4.640 -0.006 0.000 0.193 310 D C 2.113 178.420 176.300 0.011 0.000 0.994 310 D CA 1.012 55.018 54.000 0.010 0.000 0.828 310 D CB -0.077 40.726 40.800 0.005 0.000 0.963 310 D HN 0.068 nan 8.370 nan 0.000 0.450 311 L N -0.005 121.231 121.223 0.023 0.000 2.156 311 L HA -0.022 4.314 4.340 -0.006 0.000 0.208 311 L C 2.471 179.344 176.870 0.005 0.000 1.095 311 L CA 0.460 55.316 54.840 0.028 0.000 0.770 311 L CB -0.264 41.836 42.059 0.069 0.000 0.914 311 L HN 0.188 nan 8.230 nan 0.000 0.439 312 I N -0.177 120.384 120.570 -0.014 0.000 2.353 312 I HA -0.136 4.030 4.170 -0.006 0.000 0.248 312 I C 2.564 178.663 176.117 -0.029 0.000 1.119 312 I CA 1.218 62.492 61.300 -0.044 0.000 1.417 312 I CB -0.629 37.323 38.000 -0.081 0.000 1.078 312 I HN 0.237 nan 8.210 nan 0.000 0.421 313 G N 0.788 109.578 108.800 -0.018 0.000 2.422 313 G HA2 -0.189 3.767 3.960 -0.006 0.000 0.218 313 G HA3 -0.189 3.767 3.960 -0.006 0.000 0.218 313 G C 1.636 176.533 174.900 -0.004 0.000 1.140 313 G CA 0.322 45.416 45.100 -0.010 0.000 0.775 313 G HN 0.315 nan 8.290 nan 0.000 0.545 314 K N 0.046 120.446 120.400 -0.000 0.000 2.487 314 K HA 0.211 4.528 4.320 -0.006 0.000 0.192 314 K C 1.562 178.164 176.600 0.002 0.000 1.027 314 K CA 0.348 56.638 56.287 0.004 0.000 1.054 314 K CB 0.143 32.649 32.500 0.011 0.000 0.824 314 K HN 0.298 nan 8.250 nan 0.000 0.510 315 G N 1.444 110.241 108.800 -0.004 0.000 2.179 315 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.257 315 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.257 315 G C 0.572 175.470 174.900 -0.003 0.000 1.010 315 G CA 0.176 45.272 45.100 -0.006 0.000 0.736 315 G HN 0.277 nan 8.290 nan 0.000 0.513 316 L N -0.582 120.641 121.223 -0.000 0.000 2.307 316 L HA 0.416 4.753 4.340 -0.006 0.000 0.211 316 L C 1.665 178.534 176.870 -0.002 0.000 1.099 316 L CA 1.117 55.960 54.840 0.006 0.000 0.816 316 L CB -0.114 41.958 42.059 0.023 0.000 0.952 316 L HN 0.626 nan 8.230 nan 0.000 0.455 317 I N -5.797 114.761 120.570 -0.020 0.000 3.174 317 I HA 0.374 4.540 4.170 -0.006 0.000 0.313 317 I C -0.497 175.565 176.117 -0.091 0.000 1.155 317 I CA -0.779 60.487 61.300 -0.055 0.000 0.977 317 I CB 2.168 40.123 38.000 -0.076 0.000 1.248 317 I HN -0.211 nan 8.210 nan 0.000 0.453 318 D N 1.682 122.000 120.400 -0.138 0.000 2.431 318 D HA 0.379 5.015 4.640 -0.006 0.000 0.227 318 D C 0.504 176.626 176.300 -0.297 0.000 1.030 318 D CA 0.624 54.526 54.000 -0.163 0.000 0.897 318 D CB 1.504 42.238 40.800 -0.110 0.000 1.058 318 D HN 0.680 nan 8.370 nan 0.000 0.500 319 A N 0.324 122.876 122.820 -0.447 0.000 2.583 319 A HA 0.604 4.920 4.320 -0.006 0.000 0.289 319 A C -1.653 175.479 177.584 -0.754 0.000 1.151 319 A CA -0.589 51.005 52.037 -0.740 0.000 0.695 319 A CB 2.189 20.358 19.000 -1.386 0.000 1.290 319 A HN -0.062 nan 8.150 nan 0.000 0.419 320 V N -0.154 119.253 119.914 -0.846 0.000 2.709 320 V HA 0.802 4.919 4.120 -0.006 0.000 0.308 320 V C -0.295 175.301 176.094 -0.831 0.000 1.062 320 V CA 0.063 61.812 62.300 -0.918 0.000 0.901 320 V CB 1.578 32.808 31.823 -0.988 0.000 1.003 320 V HN 2.002 nan 8.190 nan 0.000 0.425 321 A N 6.316 128.698 122.820 -0.730 0.000 2.271 321 A HA 0.848 5.164 4.320 -0.006 0.000 0.317 321 A C -1.086 176.274 177.584 -0.374 0.000 1.245 321 A CA -0.337 51.488 52.037 -0.353 0.000 0.857 321 A CB 0.377 19.277 19.000 -0.167 0.000 1.175 321 A HN 0.738 nan 8.150 nan 0.000 0.512 322 F N 1.890 121.900 119.950 0.101 0.000 2.420 322 F HA 0.550 5.074 4.527 -0.006 0.000 0.342 322 F C 1.276 177.182 175.800 0.177 0.000 1.113 322 F CA 0.435 58.510 58.000 0.126 0.000 1.059 322 F CB 2.205 41.270 39.000 0.109 0.000 1.128 322 F HN 0.673 nan 8.300 nan 0.000 0.475 323 G N 2.398 111.365 108.800 0.277 0.000 2.651 323 G HA2 0.024 3.980 3.960 -0.006 0.000 0.226 323 G HA3 0.024 3.980 3.960 -0.006 0.000 0.226 323 G C 1.449 176.404 174.900 0.091 0.000 1.542 323 G CA -0.184 45.014 45.100 0.162 0.000 0.868 323 G HN 0.528 nan 8.290 nan 0.000 0.588 324 R N 0.599 121.118 120.500 0.030 0.000 2.127 324 R HA -0.056 4.280 4.340 -0.006 0.000 0.238 324 R C 2.037 178.314 176.300 -0.038 0.000 1.134 324 R CA 1.538 57.602 56.100 -0.060 0.000 0.975 324 R CB -0.159 30.160 30.300 0.031 0.000 0.865 324 R HN 0.255 nan 8.270 nan 0.000 0.447 325 D N -0.604 119.799 120.400 0.005 0.000 2.178 325 D HA -0.156 4.481 4.640 -0.006 0.000 0.202 325 D C 1.383 177.564 176.300 -0.198 0.000 0.974 325 D CA 1.148 55.078 54.000 -0.117 0.000 0.841 325 D CB -0.093 40.585 40.800 -0.203 0.000 0.953 325 D HN 0.223 nan 8.370 nan 0.000 0.478 326 Y N 0.752 121.004 120.300 -0.080 0.000 2.395 326 Y HA 0.058 4.605 4.550 -0.005 0.000 0.293 326 Y C 2.236 178.030 175.900 -0.178 0.000 1.123 326 Y CA 0.170 58.206 58.100 -0.106 0.000 1.227 326 Y CB -0.124 38.315 38.460 -0.036 0.000 1.012 326 Y HN -0.051 nan 8.280 nan 0.000 0.552 327 I N -1.018 119.521 120.570 -0.052 0.000 2.179 327 I HA -0.312 3.855 4.170 -0.006 0.000 0.242 327 I C 2.295 178.109 176.117 -0.504 0.000 1.088 327 I CA 1.504 62.719 61.300 -0.142 0.000 1.357 327 I CB -0.389 37.451 38.000 -0.266 0.000 1.051 327 I HN 0.156 nan 8.210 nan 0.000 0.409 328 A N -0.339 122.079 122.820 -0.670 0.000 2.178 328 A HA 0.091 4.408 4.320 -0.006 0.000 0.211 328 A C 0.584 177.834 177.584 -0.557 0.000 1.157 328 A CA 0.362 51.678 52.037 -1.200 0.000 0.780 328 A CB -0.104 18.529 19.000 -0.612 0.000 0.828 328 A HN 0.383 nan 8.150 nan 0.000 0.476 329 N N 0.259 118.761 118.700 -0.330 0.000 2.648 329 N HA 0.178 4.915 4.740 -0.006 0.000 0.261 329 N C -2.570 172.845 175.510 -0.160 0.000 1.138 329 N CA -1.038 51.886 53.050 -0.209 0.000 0.804 329 N CB 1.918 40.250 38.487 -0.258 0.000 1.237 329 N HN 0.057 nan 8.380 nan 0.000 0.532 330 P HA -0.132 nan 4.420 nan 0.000 0.216 330 P C 0.222 177.545 177.300 0.039 0.000 1.150 330 P CA 1.483 64.591 63.100 0.014 0.000 0.837 330 P CB 0.212 31.912 31.700 -0.001 0.000 0.786 331 D N -0.452 119.932 120.400 -0.027 0.000 2.894 331 D HA 0.028 4.664 4.640 -0.006 0.000 0.248 331 D C 1.426 177.665 176.300 -0.102 0.000 1.291 331 D CA -0.658 53.327 54.000 -0.026 0.000 0.840 331 D CB -0.584 40.204 40.800 -0.021 0.000 1.044 331 D HN -0.030 nan 8.370 nan 0.000 0.484 332 L N 0.336 121.412 121.223 -0.246 0.000 2.081 332 L HA -0.215 4.122 4.340 -0.006 0.000 0.212 332 L C 1.933 178.689 176.870 -0.190 0.000 1.080 332 L CA 1.486 56.095 54.840 -0.384 0.000 0.754 332 L CB -0.340 41.175 42.059 -0.907 0.000 0.893 332 L HN 0.062 nan 8.230 nan 0.000 0.433 333 V N -0.089 119.799 119.914 -0.044 0.000 2.255 333 V HA -0.352 3.764 4.120 -0.006 0.000 0.247 333 V C 2.776 178.893 176.094 0.039 0.000 1.051 333 V CA 1.893 64.265 62.300 0.120 0.000 1.018 333 V CB -1.403 30.534 31.823 0.190 0.000 0.641 333 V HN 0.634 nan 8.190 nan 0.000 0.445 334 A N -0.314 122.489 122.820 -0.030 0.000 1.933 334 A HA -0.233 4.084 4.320 -0.006 0.000 0.218 334 A C 2.353 179.872 177.584 -0.108 0.000 1.175 334 A CA 1.915 53.898 52.037 -0.089 0.000 0.628 334 A CB -0.498 18.465 19.000 -0.062 0.000 0.814 334 A HN 0.532 nan 8.150 nan 0.000 0.444 335 R N -0.564 119.881 120.500 -0.092 0.000 2.081 335 R HA -0.008 4.329 4.340 -0.006 0.000 0.235 335 R C 2.012 178.263 176.300 -0.082 0.000 1.131 335 R CA 1.466 57.510 56.100 -0.094 0.000 0.960 335 R CB -0.468 29.765 30.300 -0.111 0.000 0.856 335 R HN 0.500 nan 8.270 nan 0.000 0.436 336 L N 0.340 121.533 121.223 -0.051 0.000 2.141 336 L HA -0.162 4.174 4.340 -0.006 0.000 0.209 336 L C 2.696 179.609 176.870 0.070 0.000 1.094 336 L CA 1.164 56.035 54.840 0.051 0.000 0.763 336 L CB -0.361 41.785 42.059 0.145 0.000 0.908 336 L HN 0.302 nan 8.230 nan 0.000 0.437 337 Q N 0.572 120.242 119.800 -0.217 0.000 2.123 337 Q HA -0.168 4.169 4.340 -0.006 0.000 0.199 337 Q C 1.875 177.683 176.000 -0.321 0.000 0.966 337 Q CA 1.326 56.706 55.803 -0.705 0.000 0.845 337 Q CB 0.249 28.376 28.738 -1.017 0.000 0.907 337 Q HN 0.371 nan 8.270 nan 0.000 0.439 338 K N -0.277 120.004 120.400 -0.197 0.000 2.426 338 K HA 0.035 4.351 4.320 -0.006 0.000 0.193 338 K C -0.266 176.289 176.600 -0.075 0.000 1.028 338 K CA 0.100 56.313 56.287 -0.123 0.000 1.047 338 K CB 0.644 33.083 32.500 -0.102 0.000 0.821 338 K HN -0.021 nan 8.250 nan 0.000 0.513 339 K N -0.491 119.874 120.400 -0.059 0.000 3.117 339 K HA -0.166 4.151 4.320 -0.006 0.000 0.269 339 K C -0.422 176.156 176.600 -0.037 0.000 1.098 339 K CA 0.809 57.076 56.287 -0.032 0.000 0.785 339 K CB -2.522 29.966 32.500 -0.019 0.000 1.242 339 K HN 0.343 nan 8.250 nan 0.000 0.491 340 A N 0.487 123.279 122.820 -0.048 0.000 2.271 340 A HA 0.454 4.771 4.320 -0.006 0.000 0.288 340 A C 0.444 178.002 177.584 -0.042 0.000 1.094 340 A CA -0.418 51.593 52.037 -0.043 0.000 0.828 340 A CB 0.512 19.483 19.000 -0.048 0.000 1.091 340 A HN 0.270 nan 8.150 nan 0.000 0.493 341 E N -0.197 119.984 120.200 -0.033 0.000 2.392 341 E HA 0.369 4.716 4.350 -0.006 0.000 0.259 341 E C -0.739 175.839 176.600 -0.038 0.000 1.108 341 E CA -0.053 56.329 56.400 -0.029 0.000 0.916 341 E CB 0.588 30.279 29.700 -0.016 0.000 0.989 341 E HN 0.485 nan 8.360 nan 0.000 0.432 342 L N 1.874 123.073 121.223 -0.040 0.000 2.352 342 L HA 0.319 4.656 4.340 -0.006 0.000 0.269 342 L C 0.391 177.254 176.870 -0.012 0.000 1.034 342 L CA -1.117 53.693 54.840 -0.051 0.000 0.806 342 L CB 0.679 42.690 42.059 -0.081 0.000 1.244 342 L HN 0.404 nan 8.230 nan 0.000 0.447 343 N N 1.803 120.505 118.700 0.004 0.000 2.508 343 N HA 0.221 4.958 4.740 -0.006 0.000 0.264 343 N C -2.296 173.268 175.510 0.089 0.000 1.216 343 N CA -0.867 52.229 53.050 0.077 0.000 0.943 343 N CB 0.362 38.955 38.487 0.176 0.000 1.113 343 N HN 0.379 nan 8.380 nan 0.000 0.447 344 P HA 0.118 nan 4.420 nan 0.000 0.278 344 P C -0.690 176.738 177.300 0.213 0.000 1.238 344 P CA -0.198 62.974 63.100 0.119 0.000 0.794 344 P CB 0.962 32.715 31.700 0.088 0.000 0.955 345 Q N 1.467 121.373 119.800 0.177 0.000 2.340 345 Q HA 0.275 4.612 4.340 -0.006 0.000 0.249 345 Q C 0.170 176.287 176.000 0.196 0.000 0.957 345 Q CA 0.001 55.958 55.803 0.257 0.000 0.882 345 Q CB 0.939 29.828 28.738 0.251 0.000 1.235 345 Q HN 0.313 nan 8.270 nan 0.000 0.439 346 R N 2.872 123.517 120.500 0.241 0.000 2.477 346 R HA 0.192 4.528 4.340 -0.006 0.000 0.285 346 R C -2.050 174.073 176.300 -0.295 0.000 1.415 346 R CA -1.592 54.521 56.100 0.021 0.000 1.446 346 R CB 0.777 31.112 30.300 0.059 0.000 1.110 346 R HN 0.467 nan 8.270 nan 0.000 0.590 347 P HA -0.264 nan 4.420 nan 0.000 0.218 347 P C 1.141 178.000 177.300 -0.736 0.000 1.146 347 P CA 1.124 63.401 63.100 -1.370 0.000 0.813 347 P CB 0.292 31.561 31.700 -0.718 0.000 0.778 348 E N 0.184 120.191 120.200 -0.322 0.000 2.333 348 E HA -0.115 4.232 4.350 -0.006 0.000 0.198 348 E C 0.822 177.388 176.600 -0.057 0.000 1.007 348 E CA 1.495 57.817 56.400 -0.130 0.000 0.845 348 E CB -0.821 28.837 29.700 -0.070 0.000 0.766 348 E HN 0.336 nan 8.360 nan 0.000 0.507 349 S N -0.719 114.946 115.700 -0.059 0.000 2.602 349 S HA 0.224 4.691 4.470 -0.006 0.000 0.240 349 S C 0.993 175.703 174.600 0.185 0.000 0.992 349 S CA -0.703 57.533 58.200 0.061 0.000 0.971 349 S CB -0.358 62.881 63.200 0.065 0.000 0.855 349 S HN -0.032 nan 8.310 nan 0.000 0.481 350 F N 1.917 121.820 119.950 -0.078 0.000 2.146 350 F HA 0.219 4.742 4.527 -0.006 0.000 0.298 350 F C 0.374 175.940 175.800 -0.389 0.000 1.096 350 F CA -0.409 57.422 58.000 -0.282 0.000 1.275 350 F CB -0.678 38.001 39.000 -0.536 0.000 1.008 350 F HN 0.267 nan 8.300 nan 0.000 0.480 351 Y N -0.444 119.998 120.300 0.237 0.000 2.352 351 Y HA 0.545 5.093 4.550 -0.004 0.000 0.339 351 Y C 0.866 176.796 175.900 0.050 0.000 0.992 351 Y CA -0.871 57.303 58.100 0.123 0.000 1.100 351 Y CB 0.823 39.373 38.460 0.149 0.000 1.192 351 Y HN 0.256 nan 8.280 nan 0.000 0.458 352 G N 1.105 109.989 108.800 0.140 0.000 2.750 352 G HA2 0.297 4.254 3.960 -0.006 0.000 0.228 352 G HA3 0.297 4.254 3.960 -0.006 0.000 0.228 352 G C 0.279 175.162 174.900 -0.030 0.000 1.367 352 G CA -0.110 45.013 45.100 0.039 0.000 0.871 352 G HN 1.860 nan 8.290 nan 0.000 0.560 353 G N -2.089 106.691 108.800 -0.034 0.000 2.512 353 G HA2 0.486 4.443 3.960 -0.006 0.000 0.240 353 G HA3 0.486 4.443 3.960 -0.006 0.000 0.240 353 G C 1.248 176.092 174.900 -0.092 0.000 1.246 353 G CA 1.168 46.241 45.100 -0.045 0.000 0.919 353 G HN 2.724 nan 8.290 nan 0.000 0.577 354 G N -2.504 106.251 108.800 -0.076 0.000 3.291 354 G HA2 0.743 4.699 3.960 -0.006 0.000 0.173 354 G HA3 0.743 4.699 3.960 -0.006 0.000 0.173 354 G C 1.414 176.300 174.900 -0.024 0.000 1.099 354 G CA 1.474 46.528 45.100 -0.076 0.000 0.794 354 G HN 1.955 nan 8.290 nan 0.000 0.651 355 A N -0.494 122.354 122.820 0.047 0.000 1.933 355 A HA 0.086 4.403 4.320 -0.006 0.000 0.218 355 A C 1.297 178.946 177.584 0.108 0.000 1.175 355 A CA 1.726 53.838 52.037 0.125 0.000 0.628 355 A CB -0.661 18.390 19.000 0.084 0.000 0.814 355 A HN 0.577 nan 8.150 nan 0.000 0.444 356 E N -0.533 119.692 120.200 0.042 0.000 2.415 356 E HA 0.310 4.657 4.350 -0.006 0.000 0.260 356 E C 1.002 177.615 176.600 0.022 0.000 1.016 356 E CA 0.532 56.934 56.400 0.004 0.000 0.924 356 E CB -0.189 29.502 29.700 -0.015 0.000 0.961 356 E HN 0.785 nan 8.360 nan 0.000 0.459 357 G N 3.419 112.190 108.800 -0.049 0.000 2.148 357 G HA2 -0.335 3.622 3.960 -0.006 0.000 0.254 357 G HA3 -0.335 3.622 3.960 -0.006 0.000 0.254 357 G C -0.000 175.085 174.900 0.310 0.000 0.981 357 G CA 0.588 45.691 45.100 0.004 0.000 0.670 357 G HN 0.659 nan 8.290 nan 0.000 0.528 358 Y N 0.028 120.381 120.300 0.089 0.000 3.011 358 Y HA 0.243 4.790 4.550 -0.005 0.000 0.231 358 Y C 2.472 178.517 175.900 0.241 0.000 0.983 358 Y CA 2.105 60.275 58.100 0.116 0.000 1.429 358 Y CB 0.148 38.578 38.460 -0.050 0.000 1.491 358 Y HN 0.439 nan 8.280 nan 0.000 0.444 359 T N -2.009 112.638 114.554 0.156 0.000 3.085 359 T HA 0.136 4.482 4.350 -0.006 0.000 0.264 359 T C 0.348 175.099 174.700 0.085 0.000 1.019 359 T CA 0.407 62.556 62.100 0.081 0.000 0.910 359 T CB -0.139 68.768 68.868 0.064 0.000 1.059 359 T HN 0.392 nan 8.240 nan 0.000 0.542 360 D N -0.082 120.350 120.400 0.053 0.000 2.342 360 D HA 0.036 4.673 4.640 -0.006 0.000 0.221 360 D C -0.536 175.733 176.300 -0.052 0.000 1.101 360 D CA -0.617 53.370 54.000 -0.020 0.000 0.837 360 D CB -0.647 40.109 40.800 -0.072 0.000 0.938 360 D HN 0.397 nan 8.370 nan 0.000 0.508 361 Y N 2.319 122.645 120.300 0.042 0.000 2.404 361 Y HA 0.302 4.848 4.550 -0.006 0.000 0.344 361 Y C -1.733 174.176 175.900 0.015 0.000 0.995 361 Y CA -2.149 55.971 58.100 0.034 0.000 1.201 361 Y CB 0.859 39.346 38.460 0.045 0.000 1.151 361 Y HN -0.046 nan 8.280 nan 0.000 0.517 362 P HA 0.139 nan 4.420 nan 0.000 0.274 362 P C -0.520 176.816 177.300 0.060 0.000 1.231 362 P CA -0.264 62.883 63.100 0.078 0.000 0.790 362 P CB 1.440 33.169 31.700 0.048 0.000 0.951 363 S N 0.680 116.400 115.700 0.034 0.000 2.693 363 S HA 0.355 4.822 4.470 -0.006 0.000 0.276 363 S C 0.801 175.405 174.600 0.006 0.000 1.192 363 S CA -0.688 57.520 58.200 0.013 0.000 0.994 363 S CB 0.243 63.448 63.200 0.008 0.000 1.012 363 S HN 0.316 nan 8.310 nan 0.000 0.550 364 L N 0.000 121.219 121.223 -0.007 0.000 2.949 364 L HA 0.000 4.337 4.340 -0.006 0.000 0.249 364 L CA 0.000 54.834 54.840 -0.011 0.000 0.813 364 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502